#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dp0 n ARG 14 N 0.00 4.32 0.19 5.56 1.74 -1.26 -4.78 116.66 122.43 1dp0 n ARG 14 Ca 0.00 -4.38 0.13 0.00 -0.77 0.00 0.00 57.85 52.83 1dp0 n ARG 14 Cb 0.00 -2.58 0.68 0.00 -1.02 0.00 0.00 32.46 29.54 1dp0 n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1dp0 h ASP 15 N 5.52 0.00 -0.11 0.55 3.32 -1.95 -1.31 116.42 122.44 1dp0 h ASP 15 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1dp0 h ASP 15 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1dp0 h ASP 15 CO 1.38 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 176.23 1dp0 n TRP 16 N -2.42 0.15 -2.25 4.55 2.14 -1.26 -3.11 117.44 115.23 1dp0 n TRP 16 Ca -0.01 -0.07 -0.16 0.00 2.07 0.00 0.00 57.50 59.33 1dp0 n TRP 16 Cb 0.08 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 30.62 1dp0 n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1dp0 n GLU 17 N -0.17 2.95 -3.32 -2.67 1.02 -0.49 0.22 120.64 118.18 1dp0 n GLU 17 Ca 0.11 -3.92 -0.09 0.00 -0.02 0.00 0.00 57.16 53.24 1dp0 n GLU 17 Cb 0.17 -2.03 -0.06 0.00 -0.02 0.00 0.00 31.44 29.49 1dp0 n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1dp0 s ASN 18 N -3.62 0.36 0.00 1.62 2.47 -1.18 -4.75 114.94 109.83 1dp0 s ASN 18 Ca 0.43 -0.21 0.14 0.00 0.42 0.00 0.00 52.86 53.64 1dp0 s ASN 18 Cb 0.38 1.11 0.64 0.00 -1.45 0.00 0.00 41.25 41.93 1dp0 s ASN 18 CO 0.01 -0.34 1.39 -0.81 -3.72 0.00 0.00 177.10 173.63 1dp0 n PRO 19 N 5.36 0.11 0.04 0.43 -0.04 -1.26 -0.87 135.00 138.77 1dp0 n PRO 19 Ca -0.01 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1dp0 n PRO 19 Cb 0.49 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.89 1dp0 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dp0 n GLY 20 N -0.13 -1.50 3.00 0.55 0.00 -1.26 -4.35 105.19 101.50 1dp0 n GLY 20 Ca 0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1dp0 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dp0 s VAL 21 N -3.05 1.99 -1.26 1.61 1.01 -0.05 -4.93 120.40 115.73 1dp0 s VAL 21 Ca 0.12 -1.84 0.13 0.00 0.00 0.00 0.00 61.98 60.38 1dp0 s VAL 21 Cb 0.16 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1dp0 s VAL 21 CO 0.60 -0.34 0.77 0.35 0.00 0.00 0.00 175.10 176.48 1dp0 n THR 22 N 4.43 0.00 -3.57 3.92 -2.24 -1.26 -4.80 114.28 110.76 1dp0 n THR 22 Ca -0.05 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.30 1dp0 n THR 22 Cb 0.42 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 1dp0 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dp0 s GLN 23 N -1.58 0.56 -0.02 -0.78 1.03 -1.26 -1.25 119.66 116.36 1dp0 s GLN 23 Ca 0.11 -0.23 0.00 0.00 0.04 0.00 0.00 55.36 55.29 1dp0 s GLN 23 Cb 0.11 0.25 0.03 0.00 0.03 0.00 0.00 33.01 33.42 1dp0 s GLN 23 CO 0.31 -0.25 0.02 -0.51 -2.54 0.00 0.00 175.29 172.33 1dp0 s LEU 24 N -2.40 1.07 -1.27 2.60 1.43 0.56 -4.86 118.68 115.81 1dp0 s LEU 24 Ca 0.08 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1dp0 s LEU 24 Cb -0.01 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.09 1dp0 s LEU 24 CO -0.06 -0.12 0.00 0.59 0.23 0.00 0.00 176.35 176.99 1dp0 n ASN 25 N 4.21 -5.03 -4.77 2.29 3.02 -1.26 -1.49 115.26 112.22 1dp0 n ASN 25 Ca -0.27 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.19 1dp0 n ASN 25 Cb 0.50 -3.59 -0.06 0.00 -0.61 0.00 0.00 39.78 36.02 1dp0 n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1dp0 s ARG 26 N -2.89 4.63 0.72 3.52 3.52 -1.26 -4.60 118.95 122.58 1dp0 s ARG 26 Ca 0.00 1.28 -0.11 0.00 -0.13 0.00 0.00 55.73 56.77 1dp0 s ARG 26 Cb 0.00 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1dp0 s ARG 26 CO 0.00 0.46 1.07 -0.51 -0.81 0.00 0.00 175.30 175.51 1dp0 s LEU 27 N -1.50 2.99 0.62 -0.88 1.43 0.95 -5.01 118.68 117.30 1dp0 s LEU 27 Ca 0.42 1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 54.84 1dp0 s LEU 27 Cb -0.22 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1dp0 s LEU 27 CO 0.27 -1.54 1.28 0.00 0.23 0.00 0.00 176.35 176.59 1dp0 n ALA 28 N -3.18 1.16 -1.80 4.21 0.00 -1.26 -4.68 120.51 114.96 1dp0 n ALA 28 Ca 0.07 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 1dp0 n ALA 28 Cb 0.54 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1dp0 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dp0 s ALA 29 N -1.37 2.99 0.19 0.00 0.00 -1.26 -4.99 121.76 117.32 1dp0 s ALA 29 Ca 0.80 0.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 1dp0 s ALA 29 Cb -0.39 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 19.67 1dp0 s ALA 29 CO 0.43 -0.63 0.96 -3.38 0.00 0.00 0.00 175.76 173.14 1dp0 s HIS 30 N -2.91 -0.05 0.84 0.00 -3.43 -1.26 -4.88 115.29 103.60 1dp0 s HIS 30 Ca 0.58 -0.33 -0.12 0.00 -0.80 0.00 0.00 55.06 54.39 1dp0 s HIS 30 Cb -0.12 0.68 0.10 0.00 -1.43 0.00 0.00 32.58 31.81 1dp0 s HIS 30 CO 0.45 -0.94 1.12 -2.14 -2.00 0.00 0.00 174.74 171.23 1dp0 s PRO 31 N -2.88 1.72 0.07 -0.38 0.02 -1.15 -4.28 135.00 128.12 1dp0 s PRO 31 Ca 0.15 0.45 -0.35 0.00 0.02 0.00 0.00 61.00 61.28 1dp0 s PRO 31 Cb -0.02 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 1dp0 s PRO 31 CO 0.04 -1.83 1.60 -2.30 -0.33 0.00 0.00 177.00 174.19 1dp0 n PRO 32 N -3.54 1.90 -4.45 5.54 -0.02 -1.26 -4.98 135.00 128.19 1dp0 n PRO 32 Ca 0.07 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 61.99 1dp0 n PRO 32 Cb 0.58 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1dp0 n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1dp0 s PHE 33 N 1.63 2.33 0.00 6.00 2.99 -1.26 -4.79 117.98 124.88 1dp0 s PHE 33 Ca 0.84 -0.32 0.00 0.00 0.00 0.00 0.00 56.93 57.45 1dp0 s PHE 33 Cb -0.76 -1.03 0.00 0.00 0.00 0.00 0.00 43.02 41.23 1dp0 s PHE 33 CO 0.44 0.69 0.00 0.00 -0.00 0.00 0.00 175.22 176.35 1dp0 n ALA 34 N -0.54 0.00 -3.79 5.36 0.00 -1.26 -5.04 120.51 115.23 1dp0 n ALA 34 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1dp0 n ALA 34 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 1dp0 n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dp0 n SER 35 N 0.00 -3.49 -4.77 0.00 2.88 -1.26 -4.24 113.62 102.74 1dp0 n SER 35 Ca 0.00 -1.03 -0.34 0.00 -1.33 0.00 0.00 58.87 56.18 1dp0 n SER 35 Cb 0.01 -3.19 0.04 0.00 -0.75 0.00 0.00 64.21 60.32 1dp0 n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1dp0 s TRP 36 N -3.63 2.60 -0.17 0.66 0.51 -0.74 -4.59 118.94 113.57 1dp0 s TRP 36 Ca 0.31 1.55 0.14 0.00 -2.12 0.00 0.00 56.10 55.98 1dp0 s TRP 36 Cb -0.12 -3.23 0.28 0.00 -0.81 0.00 0.00 33.47 29.59 1dp0 s TRP 36 CO 0.88 -1.72 1.18 0.54 -0.51 0.00 0.00 176.95 177.32 1dp0 n ARG 37 N -2.07 2.08 -3.72 4.98 5.12 -1.26 -0.33 116.66 121.45 1dp0 n ARG 37 Ca 0.11 -2.37 -0.14 0.00 -1.93 0.00 0.00 57.85 53.52 1dp0 n ARG 37 Cb 0.51 -1.45 -0.14 0.00 -1.16 0.00 0.00 32.46 30.23 1dp0 n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1dp0 s ASN 38 N -2.17 0.04 0.30 0.55 3.84 -1.26 -4.98 114.94 111.26 1dp0 s ASN 38 Ca 0.27 0.41 0.11 0.00 0.21 0.00 0.00 52.86 53.86 1dp0 s ASN 38 Cb 0.22 0.33 0.45 0.00 -0.55 0.00 0.00 41.25 41.71 1dp0 s ASN 38 CO 0.04 -0.18 1.67 0.28 -2.79 0.00 0.00 177.10 176.12 1dp0 h SER 39 N 7.54 0.02 0.63 -4.21 0.02 -1.97 -2.89 113.55 112.68 1dp0 h SER 39 Ca -0.34 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.47 1dp0 h SER 39 Cb 1.14 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1dp0 h SER 39 CO 0.33 0.56 -0.63 -0.08 -1.14 0.00 0.00 176.83 175.87 1dp0 h GLU 40 N 0.01 0.00 -0.24 3.45 4.57 -1.98 0.18 114.58 120.56 1dp0 h GLU 40 Ca -0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1dp0 h GLU 40 Cb 0.97 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1dp0 h GLU 40 CO 0.07 0.63 -0.28 0.93 -1.18 0.00 0.00 179.01 179.18 1dp0 h GLU 41 N 0.00 0.48 -0.38 1.92 4.39 -1.91 -1.43 114.58 117.65 1dp0 h GLU 41 Ca -0.01 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.35 1dp0 h GLU 41 Cb 1.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1dp0 h GLU 41 CO 0.08 0.72 -0.37 0.00 -1.16 0.00 0.00 179.01 178.28 1dp0 h ALA 42 N 1.28 0.56 -0.57 3.43 0.00 -1.28 -0.75 119.26 121.93 1dp0 h ALA 42 Ca 0.06 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1dp0 h ALA 42 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1dp0 h ALA 42 CO 0.05 0.65 0.34 -0.09 0.00 0.00 0.00 179.25 180.20 1dp0 h ARG 43 N 0.74 0.77 -0.00 0.00 2.43 -0.37 -2.82 114.38 115.13 1dp0 h ARG 43 Ca 0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dp0 h ARG 43 Cb 0.96 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1dp0 h ARG 43 CO 0.09 0.56 -0.01 0.25 -1.51 0.00 0.00 179.97 179.35 1dp0 n THR 44 N -4.64 0.00 -2.23 0.20 -2.24 -0.56 -4.89 114.28 99.93 1dp0 n THR 44 Ca 0.03 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1dp0 n THR 44 Cb 0.06 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 1dp0 n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dp0 n ASP 45 N -0.72 -5.41 -4.86 3.42 2.03 -0.40 -4.98 116.55 105.63 1dp0 n ASP 45 Ca 0.21 0.06 -0.29 0.00 0.52 0.00 0.00 54.79 55.29 1dp0 n ASP 45 Cb 0.19 -4.48 0.09 0.00 -0.72 0.00 0.00 41.12 36.20 1dp0 n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1dp0 s ARG 46 N -4.72 2.11 0.70 -0.67 0.52 -0.57 -5.00 118.95 111.31 1dp0 s ARG 46 Ca 0.00 0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 55.39 1dp0 s ARG 46 Cb 0.00 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1dp0 s ARG 46 CO 0.00 -1.54 1.25 -2.14 0.02 0.00 0.00 175.30 172.89 1dp0 s PRO 47 N -5.38 2.29 -0.11 3.54 0.02 -1.26 -4.82 135.00 129.27 1dp0 s PRO 47 Ca 0.61 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1dp0 s PRO 47 Cb -0.12 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1dp0 s PRO 47 CO 0.52 -1.76 -0.10 0.45 -0.33 0.00 0.00 177.00 175.78 1dp0 s SER 48 N -1.70 4.35 0.26 2.53 0.15 -1.26 -4.98 113.70 113.05 1dp0 s SER 48 Ca 0.79 -0.18 0.23 0.00 0.70 0.00 0.00 55.95 57.49 1dp0 s SER 48 Cb -0.34 -1.40 0.99 0.00 -1.71 0.00 0.00 66.02 63.57 1dp0 s SER 48 CO 0.43 0.25 1.70 0.00 1.20 0.00 0.00 173.24 176.82 1dp0 n GLN 49 N 2.98 0.19 -0.08 5.44 1.13 -1.26 -2.15 117.38 123.63 1dp0 n GLN 49 Ca -0.18 0.44 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 1dp0 n GLN 49 Cb 0.53 -1.87 0.35 0.00 0.11 0.00 0.00 30.24 29.36 1dp0 n GLN 49 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1dp0 n GLN 50 N -2.23 1.90 -3.88 -1.09 3.00 -1.26 -4.68 117.38 109.14 1dp0 n GLN 50 Ca 0.02 -1.34 -0.30 0.00 -0.01 0.00 0.00 57.00 55.37 1dp0 n GLN 50 Cb 0.21 -1.44 -0.15 0.00 0.00 0.00 0.00 30.24 28.86 1dp0 n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1dp0 s LEU 51 N -1.68 2.73 0.15 1.08 2.96 -0.91 -0.50 118.68 122.51 1dp0 s LEU 51 Ca 0.34 -1.44 0.06 0.00 -0.22 0.00 0.00 54.13 52.86 1dp0 s LEU 51 Cb 0.19 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1dp0 s LEU 51 CO 0.29 -0.32 0.07 -0.13 -1.32 0.00 0.00 176.35 174.94 1dp0 s ARG 52 N 1.41 2.69 -0.09 1.98 0.52 0.62 -4.69 118.95 121.39 1dp0 s ARG 52 Ca 0.02 -0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 54.17 1dp0 s ARG 52 Cb -0.18 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 1dp0 s ARG 52 CO -0.12 0.49 0.30 0.45 0.02 0.00 0.00 175.30 176.43 1dp0 s SER 53 N -2.90 6.57 0.00 0.23 0.15 -1.26 -0.03 113.70 116.45 1dp0 s SER 53 Ca 0.29 0.67 0.17 0.00 0.70 0.00 0.00 55.95 57.79 1dp0 s SER 53 Cb -0.10 -2.18 0.47 0.00 -1.71 0.00 0.00 66.02 62.50 1dp0 s SER 53 CO 0.21 0.27 1.39 0.18 1.20 0.00 0.00 173.24 176.49 1dp0 n LEU 54 N 2.48 3.44 -4.74 3.45 4.77 0.11 -4.90 117.00 121.61 1dp0 n LEU 54 Ca -0.15 -1.94 -0.34 0.00 -0.03 0.00 0.00 56.01 53.55 1dp0 n LEU 54 Cb 0.53 -0.35 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1dp0 n LEU 54 CO 0.37 0.85 0.78 0.20 -1.33 0.00 0.00 177.39 178.25 1dp0 s ASN 55 N -1.03 4.45 0.00 -1.43 0.01 -1.23 -4.85 114.94 110.86 1dp0 s ASN 55 Ca 0.36 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.76 1dp0 s ASN 55 Cb 0.19 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1dp0 s ASN 55 CO 0.25 -2.09 0.00 0.61 -1.51 0.00 0.00 177.10 174.37 1dp0 n GLY 56 N 0.11 0.57 3.68 0.66 0.00 -0.72 -5.00 105.19 104.49 1dp0 n GLY 56 Ca 0.12 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1dp0 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dp0 s GLU 57 N -2.00 4.31 0.40 1.61 2.02 -1.26 -0.97 118.70 122.81 1dp0 s GLU 57 Ca 0.00 0.83 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1dp0 s GLU 57 Cb 0.00 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 1dp0 s GLU 57 CO 0.00 -0.18 0.05 -1.58 0.02 0.00 0.00 175.26 173.57 1dp0 s TRP 58 N 1.66 2.08 -0.07 1.61 0.52 0.02 -4.94 118.94 119.83 1dp0 s TRP 58 Ca 0.35 -0.93 -0.02 0.00 0.02 0.00 0.00 56.10 55.52 1dp0 s TRP 58 Cb -0.17 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 1dp0 s TRP 58 CO 0.13 0.13 0.03 1.03 0.02 0.00 0.00 176.95 178.29 1dp0 s ARG 59 N -3.81 3.03 -0.05 4.98 1.81 -0.17 -0.03 118.95 124.71 1dp0 s ARG 59 Ca 0.29 -0.40 -0.06 0.00 -1.72 0.00 0.00 55.73 53.83 1dp0 s ARG 59 Cb 0.07 -2.84 0.01 0.00 -0.45 0.00 0.00 34.95 31.74 1dp0 s ARG 59 CO 0.14 0.70 0.16 0.12 -0.68 0.00 0.00 175.30 175.74 1dp0 s PHE 60 N -0.98 -0.14 -0.01 -0.53 5.36 0.16 -0.90 117.98 120.93 1dp0 s PHE 60 Ca 0.16 0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 1dp0 s PHE 60 Cb -0.12 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.61 1dp0 s PHE 60 CO 0.05 -0.12 -0.04 0.00 -1.46 0.00 0.00 175.22 173.64 1dp0 s ALA 61 N -0.19 0.46 -0.14 11.12 0.00 -0.71 -0.19 121.76 132.12 1dp0 s ALA 61 Ca -0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 1dp0 s ALA 61 Cb -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1dp0 s ALA 61 CO 0.00 0.06 0.21 -0.46 0.00 0.00 0.00 175.76 175.57 1dp0 s TRP 62 N 0.23 3.53 0.12 0.00 -0.00 -1.26 -0.74 118.94 120.82 1dp0 s TRP 62 Ca -0.02 0.55 0.08 0.00 -0.00 0.00 0.00 56.10 56.71 1dp0 s TRP 62 Cb -0.06 -2.13 -0.04 0.00 -0.00 0.00 0.00 33.47 31.24 1dp0 s TRP 62 CO -0.00 0.49 -0.20 -0.06 -0.00 0.00 0.00 176.95 177.17 1dp0 s PHE 63 N -0.32 1.82 -1.08 5.86 0.40 -0.06 -5.00 117.98 119.60 1dp0 s PHE 63 Ca 0.14 -0.43 0.29 0.00 -0.60 0.00 0.00 56.93 56.34 1dp0 s PHE 63 Cb -0.13 -0.97 1.28 0.00 0.51 0.00 0.00 43.02 43.72 1dp0 s PHE 63 CO 0.03 0.24 1.95 -0.35 0.70 0.00 0.00 175.22 177.79 1dp0 n PRO 64 N 0.88 0.08 -3.55 0.24 -0.04 -1.26 -0.57 135.00 130.78 1dp0 n PRO 64 Ca -0.18 -0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1dp0 n PRO 64 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1dp0 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dp0 s ALA 65 N -2.92 -1.91 0.39 0.55 0.00 -1.21 -1.22 121.76 115.44 1dp0 s ALA 65 Ca 0.17 1.38 0.27 0.00 0.00 0.00 0.00 51.96 53.77 1dp0 s ALA 65 Cb 0.19 -0.23 1.38 0.00 0.00 0.00 0.00 23.12 24.46 1dp0 s ALA 65 CO 0.52 -0.49 2.04 -1.00 0.00 0.00 0.00 175.76 176.84 1dp0 h PRO 66 N 2.27 0.00 0.00 0.00 0.13 -1.87 -1.22 132.00 131.30 1dp0 h PRO 66 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1dp0 h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dp0 h PRO 66 CO 0.30 0.13 0.00 0.93 -0.23 0.00 0.00 178.00 179.13 1dp0 h GLU 67 N 0.00 0.00 -0.01 0.86 3.07 -1.95 -2.42 114.58 114.14 1dp0 h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dp0 h GLU 67 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1dp0 h GLU 67 CO 0.02 0.00 -0.13 0.00 -1.40 0.00 0.00 179.01 177.49 1dp0 n ALA 68 N -1.88 2.84 -2.61 3.43 0.00 -0.46 -4.87 120.51 116.95 1dp0 n ALA 68 Ca 0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1dp0 n ALA 68 Cb 0.21 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1dp0 n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dp0 s VAL 69 N -2.29 4.61 0.29 0.00 1.01 -0.91 -5.00 120.40 118.10 1dp0 s VAL 69 Ca 0.31 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 63.89 1dp0 s VAL 69 Cb 0.20 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1dp0 s VAL 69 CO 0.44 0.05 0.98 -2.16 0.00 0.00 0.00 175.10 174.40 1dp0 s PRO 70 N 1.73 4.67 0.48 2.72 0.04 -1.26 -4.93 135.00 138.46 1dp0 s PRO 70 Ca 0.52 1.49 0.23 0.00 0.04 0.00 0.00 61.00 63.27 1dp0 s PRO 70 Cb -0.21 -3.04 1.27 0.00 0.04 0.00 0.00 34.50 32.55 1dp0 s PRO 70 CO 0.22 0.33 1.93 1.49 0.04 0.00 0.00 177.00 181.02 1dp0 h GLU 71 N 3.63 0.18 -0.07 4.56 4.81 -1.99 -0.21 114.58 125.48 1dp0 h GLU 71 Ca -0.46 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1dp0 h GLU 71 Cb 1.20 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1dp0 h GLU 71 CO 0.66 0.12 0.05 0.66 -0.73 0.00 0.00 179.01 179.77 1dp0 h SER 72 N 0.18 0.00 -0.38 1.04 4.64 -1.92 -1.82 113.55 115.29 1dp0 h SER 72 Ca 0.36 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.79 1dp0 h SER 72 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1dp0 h SER 72 CO -0.06 0.00 0.35 -0.25 -0.87 0.00 0.00 176.83 175.99 1dp0 h TRP 73 N 0.00 0.00 0.00 4.77 7.01 -1.17 0.16 115.95 126.72 1dp0 h TRP 73 Ca 0.03 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 1dp0 h TRP 73 Cb 0.14 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1dp0 h TRP 73 CO 0.00 0.00 -0.43 -0.07 -2.79 0.00 0.00 178.44 175.15 1dp0 h LEU 74 N 0.00 0.00 0.00 0.65 3.38 -1.51 -3.27 115.31 114.56 1dp0 h LEU 74 Ca 0.18 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 1dp0 h LEU 74 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1dp0 h LEU 74 CO -0.00 0.43 -2.18 -0.62 0.09 0.00 0.00 178.44 176.16 1dp0 n GLU 75 N -3.92 0.79 -3.63 1.13 -0.58 -0.09 -3.44 120.64 110.89 1dp0 n GLU 75 Ca -0.01 -0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.54 1dp0 n GLU 75 Cb 0.47 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1dp0 n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dp0 n ASP 77 N 0.09 2.95 -4.68 0.00 2.03 -1.26 -4.06 116.55 111.62 1dp0 n ASP 77 Ca -0.17 1.12 -0.40 0.00 0.52 0.00 0.00 54.79 55.86 1dp0 n ASP 77 Cb 0.62 -1.55 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 1dp0 n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dp0 s LEU 78 N -2.12 4.20 0.45 -2.67 1.43 -1.26 -4.94 118.68 113.76 1dp0 s LEU 78 Ca 0.61 1.01 0.16 0.00 -1.03 0.00 0.00 54.13 54.87 1dp0 s LEU 78 Cb -0.48 -3.02 1.08 0.00 0.03 0.00 0.00 46.19 43.80 1dp0 s LEU 78 CO 0.58 -0.26 1.97 -0.65 0.23 0.00 0.00 176.35 178.22 1dp0 h PRO 79 N 7.25 0.34 -0.09 1.29 0.11 -2.03 0.25 132.00 139.13 1dp0 h PRO 79 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1dp0 h PRO 79 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dp0 h PRO 79 CO 0.79 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 1dp0 n GLU 80 N -4.46 1.43 -1.01 1.05 0.00 -1.26 -4.88 120.64 111.50 1dp0 n GLU 80 Ca 0.10 -0.64 -0.30 0.00 0.00 0.00 0.00 57.16 56.32 1dp0 n GLU 80 Cb 0.43 -1.36 0.14 0.00 0.00 0.00 0.00 31.44 30.65 1dp0 n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dp0 s ALA 81 N -1.88 1.61 0.27 -1.84 0.00 0.89 -4.93 121.76 115.86 1dp0 s ALA 81 Ca 0.31 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1dp0 s ALA 81 Cb 0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1dp0 s ALA 81 CO 0.25 -2.39 0.01 -0.51 0.00 0.00 0.00 175.76 173.11 1dp0 s ASP 82 N -3.11 4.59 -0.15 0.00 1.01 0.74 -4.85 116.67 114.89 1dp0 s ASP 82 Ca 0.64 -0.63 -0.15 0.00 0.71 0.00 0.00 52.55 53.12 1dp0 s ASP 82 Cb -0.20 -0.87 -0.05 0.00 1.01 0.00 0.00 42.92 42.82 1dp0 s ASP 82 CO 0.58 -0.00 0.33 -0.89 0.21 0.00 0.00 175.17 175.39 1dp0 s THR 83 N -2.32 5.28 0.11 -1.27 2.01 -1.26 0.36 115.64 118.56 1dp0 s THR 83 Ca 0.32 0.63 0.01 0.00 0.31 0.00 0.00 61.69 62.95 1dp0 s THR 83 Cb -0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1dp0 s THR 83 CO 0.20 0.37 -0.03 0.68 -0.69 0.00 0.00 174.62 175.15 1dp0 s VAL 84 N 0.53 0.57 0.26 3.82 -7.23 0.95 -4.94 120.40 114.36 1dp0 s VAL 84 Ca 0.18 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 1dp0 s VAL 84 Cb -0.13 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 1dp0 s VAL 84 CO 0.05 -0.75 0.99 -0.69 -0.31 0.00 0.00 175.10 174.40 1dp0 s VAL 85 N -3.71 3.87 -0.04 1.32 1.01 -1.26 -0.80 120.40 120.79 1dp0 s VAL 85 Ca 0.15 1.88 0.03 0.00 0.00 0.00 0.00 61.98 64.05 1dp0 s VAL 85 Cb 0.06 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1dp0 s VAL 85 CO -0.03 0.44 -0.13 -0.69 0.00 0.00 0.00 175.10 174.70 1dp0 s VAL 86 N -1.19 1.13 0.55 2.92 1.01 -0.14 -4.11 120.40 120.58 1dp0 s VAL 86 Ca 0.42 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1dp0 s VAL 86 Cb -0.28 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 1dp0 s VAL 86 CO 0.35 0.34 1.03 -2.16 0.00 0.00 0.00 175.10 174.66 1dp0 s PRO 87 N 0.20 3.58 0.01 2.72 0.04 -1.26 -1.75 135.00 138.54 1dp0 s PRO 87 Ca -0.05 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1dp0 s PRO 87 Cb -0.11 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1dp0 s PRO 87 CO 0.02 -0.59 1.02 -1.54 0.04 0.00 0.00 177.00 175.94 1dp0 s SER 88 N -2.77 -0.23 -0.20 6.66 1.04 0.06 -4.93 113.70 113.33 1dp0 s SER 88 Ca 0.63 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.85 1dp0 s SER 88 Cb -0.14 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 1dp0 s SER 88 CO 0.33 -0.60 0.04 0.20 0.98 0.00 0.00 173.24 174.19 1dp0 s ASN 89 N -2.65 5.23 0.55 7.02 -0.87 -1.26 -3.34 114.94 119.61 1dp0 s ASN 89 Ca 0.09 -0.08 0.27 0.00 -1.57 0.00 0.00 52.86 51.57 1dp0 s ASN 89 Cb -0.00 -1.90 1.58 0.00 -0.02 0.00 0.00 41.25 40.91 1dp0 s ASN 89 CO -0.04 0.09 2.16 4.11 -2.57 0.00 0.00 177.10 180.85 1dp0 h TRP 90 N 7.28 0.00 -0.27 2.20 0.09 -1.78 -0.71 115.95 122.76 1dp0 h TRP 90 Ca -0.36 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.61 1dp0 h TRP 90 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.40 1dp0 h TRP 90 CO 0.60 0.06 0.12 1.96 0.09 0.00 0.00 178.44 181.26 1dp0 h GLN 91 N 0.00 0.37 0.00 0.12 7.50 -1.79 -1.78 115.11 119.53 1dp0 h GLN 91 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1dp0 h GLN 91 Cb 0.15 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.61 1dp0 h GLN 91 CO 0.01 0.30 0.00 -1.33 -1.50 0.00 0.00 178.83 176.31 1dp0 n MET 92 N -4.44 0.20 -0.12 1.46 2.81 -0.27 -1.04 117.12 115.71 1dp0 n MET 92 Ca 0.01 0.45 0.12 0.00 -1.81 0.00 0.00 57.70 56.47 1dp0 n MET 92 Cb 0.12 -1.89 0.18 0.00 -0.71 0.00 0.00 33.22 30.92 1dp0 n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1dp0 n HIS 93 N -2.26 0.32 -0.67 2.03 8.25 -0.69 -4.97 115.22 117.23 1dp0 n HIS 93 Ca 0.02 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1dp0 n HIS 93 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1dp0 n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dp0 n GLY 94 N 1.45 0.76 0.25 -1.41 0.00 -0.21 -4.95 105.19 101.08 1dp0 n GLY 94 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1dp0 n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1dp0 h TYR 95 N 0.00 0.42 -3.29 1.61 -1.99 -1.71 -3.46 116.97 108.56 1dp0 h TYR 95 Ca 0.00 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1dp0 h TYR 95 Cb 0.00 -0.12 -0.05 0.00 2.00 0.00 0.00 36.73 38.56 1dp0 h TYR 95 CO 0.00 0.50 0.11 0.16 -0.00 0.00 0.00 178.16 178.94 1dp0 s ASP 96 N -6.81 0.01 0.12 3.88 1.47 -1.26 -5.05 116.67 109.03 1dp0 s ASP 96 Ca -0.07 -0.96 -0.14 0.00 1.18 0.00 0.00 52.55 52.57 1dp0 s ASP 96 Cb 0.15 0.73 -0.07 0.00 -0.34 0.00 0.00 42.92 43.39 1dp0 s ASP 96 CO 0.76 -1.40 0.52 0.00 0.68 0.00 0.00 175.17 175.72 1dp0 s ALA 97 N -3.34 3.61 0.53 2.11 0.00 -1.26 -4.38 121.76 119.02 1dp0 s ALA 97 Ca 0.17 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 1dp0 s ALA 97 Cb -0.04 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.54 1dp0 s ALA 97 CO 0.10 0.47 1.03 -1.25 0.00 0.00 0.00 175.76 176.12 1dp0 s PRO 98 N -1.85 3.67 -0.09 0.00 0.04 -1.26 -4.98 135.00 130.53 1dp0 s PRO 98 Ca 0.36 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.65 1dp0 s PRO 98 Cb -0.15 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1dp0 s PRO 98 CO 0.19 -0.53 -0.24 0.42 0.04 0.00 0.00 177.00 176.88 1dp0 s ILE 99 N -2.30 2.08 -0.42 0.56 1.01 -1.08 -4.70 121.20 116.36 1dp0 s ILE 99 Ca 0.64 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 1dp0 s ILE 99 Cb -0.14 -1.78 0.09 0.00 0.01 0.00 0.00 42.46 40.64 1dp0 s ILE 99 CO 0.28 0.56 0.24 -0.47 0.00 0.00 0.00 174.94 175.55 1dp0 s TYR 100 N 0.22 3.42 -0.01 3.97 5.04 -1.26 -0.13 117.35 128.60 1dp0 s TYR 100 Ca -0.15 -1.88 0.06 0.00 -2.44 0.00 0.00 57.07 52.66 1dp0 s TYR 100 Cb -0.17 -3.07 -0.02 0.00 0.35 0.00 0.00 41.96 39.06 1dp0 s TYR 100 CO 0.08 -0.91 -0.18 -0.08 -1.34 0.00 0.00 175.55 173.11 1dp0 s THR 101 N 1.32 1.45 0.00 4.34 -1.32 -1.26 -1.42 115.64 118.74 1dp0 s THR 101 Ca 0.04 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1dp0 s THR 101 Cb -0.23 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1dp0 s THR 101 CO -0.01 0.37 0.00 -3.20 -2.21 0.00 0.00 174.62 169.58 1dp0 n ASN 102 N 2.53 0.00 -0.12 8.08 2.85 -1.26 -4.02 115.26 123.32 1dp0 n ASN 102 Ca -0.15 0.13 -0.24 0.00 -0.11 0.00 0.00 54.58 54.21 1dp0 n ASN 102 Cb 0.54 -0.27 -0.11 0.00 1.24 0.00 0.00 39.78 41.17 1dp0 n ASN 102 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1dp0 n VAL 103 N -1.68 1.55 -1.77 3.44 0.31 -1.26 -4.04 118.33 114.88 1dp0 n VAL 103 Ca 0.00 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 1dp0 n VAL 103 Cb 0.00 -1.74 -0.02 0.00 -0.91 0.00 0.00 33.84 31.17 1dp0 n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1dp0 s THR 104 N -2.50 2.08 0.64 2.52 2.01 -1.26 -3.31 115.64 115.82 1dp0 s THR 104 Ca -0.34 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.54 1dp0 s THR 104 Cb 0.11 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 1dp0 s THR 104 CO 0.57 0.01 1.25 -0.31 -0.69 0.00 0.00 174.62 175.45 1dp0 s TYR 105 N 0.37 2.20 -1.53 4.92 1.51 -1.26 -4.86 117.35 118.70 1dp0 s TYR 105 Ca 0.67 1.51 0.27 0.00 -1.01 0.00 0.00 57.07 58.51 1dp0 s TYR 105 Cb -0.48 -3.58 1.41 0.00 -0.11 0.00 0.00 41.96 39.20 1dp0 s TYR 105 CO 0.43 -2.59 1.93 -0.35 -1.11 0.00 0.00 175.55 173.86 1dp0 n PRO 106 N -1.89 0.47 -4.33 -1.71 -0.04 -1.26 -4.74 135.00 121.49 1dp0 n PRO 106 Ca 0.15 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.46 1dp0 n PRO 106 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 1dp0 n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1dp0 s ILE 107 N -2.47 1.53 0.29 0.52 -4.36 -1.26 -5.06 121.20 110.39 1dp0 s ILE 107 Ca 0.28 -2.15 -0.30 0.00 -0.26 0.00 0.00 60.65 58.22 1dp0 s ILE 107 Cb 0.18 -2.08 -0.12 0.00 1.25 0.00 0.00 42.46 41.69 1dp0 s ILE 107 CO 0.39 -0.57 1.48 0.41 0.24 0.00 0.00 174.94 176.90 1dp0 n THR 108 N -0.37 1.26 -2.60 8.37 -1.04 -1.26 -4.87 114.28 113.77 1dp0 n THR 108 Ca -0.08 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.20 1dp0 n THR 108 Cb 0.61 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 1dp0 n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1dp0 s VAL 109 N -0.31 3.84 -0.44 12.58 1.01 -1.26 -4.78 120.40 131.05 1dp0 s VAL 109 Ca 0.63 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1dp0 s VAL 109 Cb -0.55 -4.90 0.31 0.00 0.00 0.00 0.00 36.38 31.24 1dp0 s VAL 109 CO 0.53 -1.81 0.93 -3.20 0.00 0.00 0.00 175.10 171.55 1dp0 n ASN 110 N 9.04 -1.42 -4.71 3.32 5.15 -1.26 -5.12 115.26 120.26 1dp0 n ASN 110 Ca 0.06 -3.38 -0.42 0.00 -0.60 0.00 0.00 54.58 50.24 1dp0 n ASN 110 Cb 0.49 1.05 -0.01 0.00 -0.53 0.00 0.00 39.78 40.78 1dp0 n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1dp0 n PRO 111 N 0.65 2.21 -0.86 1.20 -0.04 -1.26 -0.75 135.00 136.15 1dp0 n PRO 111 Ca 0.13 0.78 0.05 0.00 -0.04 0.00 0.00 63.50 64.41 1dp0 n PRO 111 Cb 0.66 -2.38 0.37 0.00 -0.04 0.00 0.00 33.50 32.11 1dp0 n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1dp0 n PRO 112 N 0.52 4.44 -2.48 0.54 -0.04 -1.26 -5.11 135.00 131.62 1dp0 n PRO 112 Ca 0.04 -3.12 -0.31 0.00 -0.04 0.00 0.00 63.50 60.07 1dp0 n PRO 112 Cb 0.37 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 1dp0 n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1dp0 s PHE 113 N -2.83 3.50 0.30 0.54 0.40 0.07 -4.39 117.98 115.57 1dp0 s PHE 113 Ca 0.53 1.22 0.06 0.00 -0.60 0.00 0.00 56.93 58.14 1dp0 s PHE 113 Cb 0.41 -2.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 1dp0 s PHE 113 CO 0.14 -0.33 -0.04 0.14 0.70 0.00 0.00 175.22 175.84 1dp0 s VAL 114 N -2.65 1.63 0.47 -0.44 -7.23 -1.26 -4.56 120.40 106.36 1dp0 s VAL 114 Ca 0.54 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 1dp0 s VAL 114 Cb -0.10 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 1dp0 s VAL 114 CO 0.37 -0.24 1.06 -2.65 -0.31 0.00 0.00 175.10 173.33 1dp0 n PRO 115 N -0.63 1.37 0.17 4.82 -0.02 -1.26 -4.88 135.00 134.57 1dp0 n PRO 115 Ca -0.05 0.50 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1dp0 n PRO 115 Cb 0.64 -2.16 0.26 0.00 -0.02 0.00 0.00 33.50 32.22 1dp0 n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1dp0 h THR 116 N 1.38 1.01 -2.90 3.45 1.35 -2.00 -3.34 112.91 111.87 1dp0 h THR 116 Ca -0.46 -1.76 -0.61 0.00 -0.55 0.00 0.00 66.41 63.03 1dp0 h THR 116 Cb 1.33 2.04 -0.12 0.00 -1.73 0.00 0.00 68.15 69.67 1dp0 h THR 116 CO 0.56 0.44 0.63 -1.61 -0.25 0.00 0.00 175.52 175.30 1dp0 s GLU 117 N -3.52 3.24 -0.25 4.72 2.02 -1.26 -4.74 118.70 118.90 1dp0 s GLU 117 Ca 0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 1dp0 s GLU 117 Cb 0.11 -4.13 0.08 0.00 0.10 0.00 0.00 34.13 30.29 1dp0 s GLU 117 CO 0.71 -1.70 0.09 1.21 0.02 0.00 0.00 175.26 175.59 1dp0 s ASN 118 N 3.26 3.26 0.09 -0.19 2.47 -0.35 -4.99 114.94 118.48 1dp0 s ASN 118 Ca 0.28 -1.12 -0.37 0.00 0.42 0.00 0.00 52.86 52.08 1dp0 s ASN 118 Cb -0.13 -0.51 -0.17 0.00 -1.45 0.00 0.00 41.25 38.99 1dp0 s ASN 118 CO 0.16 -0.38 1.34 -2.65 -3.72 0.00 0.00 177.10 171.85 1dp0 n PRO 119 N 5.11 1.16 -4.74 0.43 -0.02 -1.23 -3.29 135.00 132.42 1dp0 n PRO 119 Ca -0.06 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 1dp0 n PRO 119 Cb 0.45 -2.06 -0.17 0.00 -0.02 0.00 0.00 33.50 31.70 1dp0 n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1dp0 s THR 120 N 0.49 1.73 -0.31 3.45 2.01 0.27 -1.00 115.64 122.27 1dp0 s THR 120 Ca 0.84 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1dp0 s THR 120 Cb -0.95 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1dp0 s THR 120 CO 0.47 0.49 0.18 -0.83 -0.69 0.00 0.00 174.62 174.23 1dp0 s GLY 121 N 0.72 1.90 -0.58 4.40 0.00 0.35 -0.88 107.32 113.22 1dp0 s GLY 121 Ca -0.11 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 1dp0 s GLY 121 CO 0.02 0.71 0.69 0.00 0.00 0.00 0.00 173.10 174.52 1dp0 s TYR 123 N 2.68 3.27 0.11 0.00 1.51 0.24 -1.74 117.35 123.41 1dp0 s TYR 123 Ca 0.12 0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 56.13 1dp0 s TYR 123 Cb -0.24 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1dp0 s TYR 123 CO 0.07 0.53 0.33 -1.54 -1.11 0.00 0.00 175.55 173.83 1dp0 s SER 124 N -2.63 -0.11 -0.18 2.29 1.04 -0.08 -0.09 113.70 113.94 1dp0 s SER 124 Ca 0.31 -0.44 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 1dp0 s SER 124 Cb -0.12 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.49 1dp0 s SER 124 CO 0.24 -0.82 0.46 -0.22 0.98 0.00 0.00 173.24 173.88 1dp0 s LEU 125 N -2.83 0.03 -0.23 2.42 2.96 -0.83 -1.00 118.68 119.21 1dp0 s LEU 125 Ca 0.04 0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 54.84 1dp0 s LEU 125 Cb 0.03 1.56 -0.03 0.00 0.50 0.00 0.00 46.19 48.25 1dp0 s LEU 125 CO -0.11 -0.18 0.06 -0.89 -1.32 0.00 0.00 176.35 173.90 1dp0 s THR 126 N 0.76 4.34 0.18 3.68 2.01 -1.26 -0.19 115.64 125.15 1dp0 s THR 126 Ca -0.04 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 1dp0 s THR 126 Cb -0.05 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1dp0 s THR 126 CO -0.06 0.38 0.22 0.72 -0.69 0.00 0.00 174.62 175.19 1dp0 s PHE 127 N 1.25 0.69 -0.00 4.92 -0.12 0.79 -4.93 117.98 120.58 1dp0 s PHE 127 Ca 0.04 -1.02 -0.04 0.00 -0.05 0.00 0.00 56.93 55.86 1dp0 s PHE 127 Cb -0.15 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1dp0 s PHE 127 CO 0.03 -0.69 0.22 1.21 -0.05 0.00 0.00 175.22 175.94 1dp0 s ASN 128 N -3.04 6.42 -0.08 1.98 2.47 -1.26 0.70 114.94 122.13 1dp0 s ASN 128 Ca 0.25 0.43 0.01 0.00 0.42 0.00 0.00 52.86 53.97 1dp0 s ASN 128 Cb 0.05 -2.04 0.02 0.00 -1.45 0.00 0.00 41.25 37.83 1dp0 s ASN 128 CO 0.05 0.26 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.91 1dp0 s VAL 129 N -1.32 0.92 0.44 -5.21 1.01 0.28 -4.97 120.40 111.55 1dp0 s VAL 129 Ca 0.27 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1dp0 s VAL 129 Cb -0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 1dp0 s VAL 129 CO 0.18 0.32 1.05 -1.81 0.00 0.00 0.00 175.10 174.84 1dp0 s ASP 130 N 1.14 6.58 0.48 3.32 1.01 -1.26 -1.22 116.67 126.71 1dp0 s ASP 130 Ca -0.06 2.00 0.19 0.00 0.71 0.00 0.00 52.55 55.39 1dp0 s ASP 130 Cb -0.14 -2.58 1.19 0.00 1.01 0.00 0.00 42.92 42.41 1dp0 s ASP 130 CO -0.01 -0.62 1.99 -0.08 0.21 0.00 0.00 175.17 176.65 1dp0 h GLU 131 N 2.11 0.21 -0.20 8.23 4.81 -1.95 -1.54 114.58 126.26 1dp0 h GLU 131 Ca -0.49 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1dp0 h GLU 131 Cb 1.22 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1dp0 h GLU 131 CO 0.61 0.14 0.12 0.66 -0.73 0.00 0.00 179.01 179.81 1dp0 h SER 132 N 0.22 0.23 0.85 1.04 4.64 -1.99 -0.17 113.55 118.37 1dp0 h SER 132 Ca 0.27 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1dp0 h SER 132 Cb 0.75 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1dp0 h SER 132 CO -0.05 0.18 -0.13 -0.50 -0.87 0.00 0.00 176.83 175.46 1dp0 h TRP 133 N 0.27 0.00 0.00 4.77 4.06 -1.58 -2.84 115.95 120.63 1dp0 h TRP 133 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1dp0 h TRP 133 Cb -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1dp0 h TRP 133 CO 0.00 0.13 -0.84 1.28 -3.56 0.00 0.00 178.44 175.45 1dp0 n LEU 134 N -3.32 0.78 0.18 -4.49 4.77 -0.15 -4.20 117.00 110.57 1dp0 n LEU 134 Ca -0.00 -0.28 0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1dp0 n LEU 134 Cb 0.35 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.62 1dp0 n LEU 134 CO 0.30 0.19 0.84 1.56 -1.33 0.00 0.00 177.39 178.95 1dp0 h GLN 135 N 0.00 0.00 -3.09 3.23 1.08 -1.09 -3.47 115.11 111.77 1dp0 h GLN 135 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1dp0 h GLN 135 Cb 0.52 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.85 1dp0 h GLN 135 CO 0.00 0.00 0.16 -1.83 -0.95 0.00 0.00 178.83 176.21 1dp0 s GLU 136 N -3.19 1.35 1.79 1.46 -1.05 -1.25 -5.14 118.70 112.67 1dp0 s GLU 136 Ca 0.08 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1dp0 s GLU 136 Cb 0.08 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.34 1dp0 s GLU 136 CO 0.64 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.67 1dp0 n GLY 137 N -0.37 -1.15 3.18 -3.83 0.00 -1.26 -4.79 105.19 96.96 1dp0 n GLY 137 Ca -0.14 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1dp0 n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dp0 s GLN 138 N 0.00 2.16 -0.19 1.61 0.74 0.92 -4.80 119.66 120.11 1dp0 s GLN 138 Ca 0.00 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 1dp0 s GLN 138 Cb 0.00 -1.82 0.00 0.00 1.10 0.00 0.00 33.01 32.30 1dp0 s GLN 138 CO 0.00 0.26 -0.12 0.99 -0.55 0.00 0.00 175.29 175.87 1dp0 s THR 139 N 0.06 2.79 0.25 -0.34 2.01 -1.26 -0.83 115.64 118.31 1dp0 s THR 139 Ca -0.06 -0.70 0.11 0.00 0.31 0.00 0.00 61.69 61.34 1dp0 s THR 139 Cb -0.13 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1dp0 s THR 139 CO 0.04 0.49 -0.16 0.00 -0.69 0.00 0.00 174.62 174.29 1dp0 s ARG 140 N 1.20 1.80 0.04 4.92 1.70 -0.39 -0.04 118.95 128.19 1dp0 s ARG 140 Ca 0.02 -1.60 0.04 0.00 -0.47 0.00 0.00 55.73 53.72 1dp0 s ARG 140 Cb -0.14 -1.90 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 1dp0 s ARG 140 CO -0.05 0.36 -0.05 -1.50 -1.08 0.00 0.00 175.30 172.98 1dp0 s ILE 141 N -2.22 3.73 -0.07 4.99 2.07 -0.22 -0.73 121.20 128.76 1dp0 s ILE 141 Ca 0.28 -0.91 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 1dp0 s ILE 141 Cb -0.06 -2.69 0.02 0.00 0.13 0.00 0.00 42.46 39.86 1dp0 s ILE 141 CO 0.15 0.27 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.74 1dp0 s ILE 142 N -1.13 0.86 -0.34 2.00 1.01 0.12 -1.74 121.20 121.99 1dp0 s ILE 142 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1dp0 s ILE 142 Cb -0.11 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.55 1dp0 s ILE 142 CO 0.12 0.31 0.10 -0.36 0.00 0.00 0.00 174.94 175.11 1dp0 s PHE 143 N 1.09 3.27 0.28 3.97 0.40 -0.29 -0.78 117.98 125.92 1dp0 s PHE 143 Ca -0.07 -1.51 0.27 0.00 -0.60 0.00 0.00 56.93 55.01 1dp0 s PHE 143 Cb -0.14 -2.31 1.25 0.00 0.51 0.00 0.00 43.02 42.33 1dp0 s PHE 143 CO -0.01 -0.75 1.97 -0.44 0.70 0.00 0.00 175.22 176.69 1dp0 h ASP 144 N 8.19 0.00 -1.50 1.36 3.32 -1.34 -0.38 116.42 126.07 1dp0 h ASP 144 Ca -0.23 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.94 1dp0 h ASP 144 Cb 1.08 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.41 1dp0 h ASP 144 CO 0.60 0.16 -0.03 -0.83 -1.72 0.00 0.00 179.24 177.42 1dp0 s GLY 145 N -4.23 -0.58 -0.06 2.75 0.00 -1.26 -3.46 107.32 100.47 1dp0 s GLY 145 Ca -0.01 2.52 -0.01 0.00 0.00 0.00 0.00 44.72 47.22 1dp0 s GLY 145 CO 0.60 3.19 0.01 0.14 0.00 0.00 0.00 173.10 177.04 1dp0 s VAL 146 N 2.76 0.30 -0.25 1.40 1.01 -1.24 -1.60 120.40 122.77 1dp0 s VAL 146 Ca -0.01 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1dp0 s VAL 146 Cb -0.10 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1dp0 s VAL 146 CO -0.18 0.23 -0.07 0.21 0.00 0.00 0.00 175.10 175.29 1dp0 s ASN 147 N 1.79 4.31 -0.00 3.32 3.84 -0.26 -3.94 114.94 123.99 1dp0 s ASN 147 Ca 0.02 -0.98 0.06 0.00 0.21 0.00 0.00 52.86 52.16 1dp0 s ASN 147 Cb -0.13 -1.64 -0.07 0.00 -0.55 0.00 0.00 41.25 38.87 1dp0 s ASN 147 CO -0.04 -0.14 0.20 -1.54 -2.79 0.00 0.00 177.10 172.79 1dp0 n SER 148 N 4.62 1.38 -3.53 -4.21 3.41 -0.47 -1.05 113.62 113.78 1dp0 n SER 148 Ca -0.16 -0.43 -0.16 0.00 -0.26 0.00 0.00 58.87 57.86 1dp0 n SER 148 Cb 0.46 1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 65.44 1dp0 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 s ALA 149 N -1.81 -1.62 0.01 7.33 0.00 -1.20 -3.89 121.76 120.58 1dp0 s ALA 149 Ca 0.01 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 1dp0 s ALA 149 Cb 0.04 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1dp0 s ALA 149 CO 0.23 -0.44 0.57 -0.59 0.00 0.00 0.00 175.76 175.54 1dp0 s PHE 150 N -1.72 -0.51 0.01 0.00 -0.12 -0.17 -0.77 117.98 114.69 1dp0 s PHE 150 Ca -0.09 0.73 0.02 0.00 -0.05 0.00 0.00 56.93 57.53 1dp0 s PHE 150 Cb -0.01 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1dp0 s PHE 150 CO 0.05 -0.62 0.01 -1.01 -0.05 0.00 0.00 175.22 173.60 1dp0 s HIS 151 N -1.86 3.09 -0.03 3.49 3.76 -0.63 -1.51 115.29 121.60 1dp0 s HIS 151 Ca -0.08 0.09 0.04 0.00 -0.15 0.00 0.00 55.06 54.96 1dp0 s HIS 151 Cb -0.01 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 1dp0 s HIS 151 CO 0.03 0.47 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.06 1dp0 s LEU 152 N -1.64 1.94 0.06 0.89 2.96 0.49 -1.07 118.68 122.31 1dp0 s LEU 152 Ca 0.20 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1dp0 s LEU 152 Cb -0.12 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1dp0 s LEU 152 CO 0.11 0.16 -0.19 0.26 -1.32 0.00 0.00 176.35 175.38 1dp0 s TRP 153 N -0.08 1.65 -0.09 5.38 0.51 0.14 -0.06 118.94 126.39 1dp0 s TRP 153 Ca -0.01 -0.39 0.01 0.00 -2.12 0.00 0.00 56.10 53.59 1dp0 s TRP 153 Cb -0.10 -0.95 0.02 0.00 -0.81 0.00 0.00 33.47 31.63 1dp0 s TRP 153 CO 0.01 0.12 -0.12 0.00 -0.51 0.00 0.00 176.95 176.45 1dp0 n ASN 155 N 4.30 -3.85 0.00 0.00 3.02 0.44 -0.80 115.26 118.37 1dp0 n ASN 155 Ca -0.19 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1dp0 n ASN 155 Cb 0.51 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 1dp0 n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dp0 n GLY 156 N -1.58 1.51 3.61 7.41 0.00 -1.22 -5.02 105.19 109.90 1dp0 n GLY 156 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1dp0 n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dp0 s ARG 157 N -0.04 3.25 0.14 1.61 0.52 0.02 -4.92 118.95 119.53 1dp0 s ARG 157 Ca 0.00 -0.45 -0.31 0.00 -0.52 0.00 0.00 55.73 54.45 1dp0 s ARG 157 Cb 0.00 -2.84 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 1dp0 s ARG 157 CO 0.00 0.52 1.41 -0.46 0.02 0.00 0.00 175.30 176.79 1dp0 s TRP 158 N -0.39 3.21 -0.18 -0.53 -0.00 -1.26 -0.36 118.94 119.42 1dp0 s TRP 158 Ca 0.07 0.94 -0.11 0.00 -0.00 0.00 0.00 56.10 57.00 1dp0 s TRP 158 Cb -0.12 -3.72 -0.08 0.00 -0.00 0.00 0.00 33.47 29.56 1dp0 s TRP 158 CO 0.02 -2.49 -0.26 0.28 -0.00 0.00 0.00 176.95 174.50 1dp0 n VAL 159 N 3.71 1.21 -3.14 5.86 0.31 0.91 -4.90 118.33 122.28 1dp0 n VAL 159 Ca 0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1dp0 n VAL 159 Cb 0.42 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1dp0 n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dp0 n GLY 160 N 1.78 -0.92 3.15 2.92 0.00 -1.05 -4.73 105.19 106.34 1dp0 n GLY 160 Ca -0.33 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1dp0 n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dp0 s TYR 161 N -3.00 0.02 0.01 1.61 5.04 -0.56 -0.38 117.35 120.09 1dp0 s TYR 161 Ca 0.00 -0.13 -0.16 0.00 -2.44 0.00 0.00 57.07 54.34 1dp0 s TYR 161 Cb 0.00 -0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.31 1dp0 s TYR 161 CO 0.00 -0.35 0.34 0.20 -1.34 0.00 0.00 175.55 174.40 1dp0 s GLY 162 N -1.63 -0.18 0.37 8.97 0.00 -0.57 -0.32 107.32 113.97 1dp0 s GLY 162 Ca -0.11 0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1dp0 s GLY 162 CO 0.00 0.04 0.09 1.20 0.00 0.00 0.00 173.10 174.44 1dp0 s GLN 163 N -1.86 1.81 0.00 2.90 -0.21 -0.38 -1.00 119.66 120.92 1dp0 s GLN 163 Ca -0.10 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.22 1dp0 s GLN 163 Cb -0.03 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.23 1dp0 s GLN 163 CO 0.01 -0.35 0.00 -3.47 -2.12 0.00 0.00 175.29 169.37 1dp0 n ASP 164 N -1.02 -1.71 0.00 5.90 -0.08 -1.25 -4.92 116.55 113.47 1dp0 n ASP 164 Ca -0.05 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.28 1dp0 n ASP 164 Cb 0.66 -0.85 0.23 0.00 2.34 0.00 0.00 41.12 43.50 1dp0 n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1dp0 n SER 165 N 0.00 0.00 -0.10 1.67 7.64 -1.25 -3.53 113.62 118.04 1dp0 n SER 165 Ca 0.00 0.35 0.01 0.00 1.01 0.00 0.00 58.87 60.24 1dp0 n SER 165 Cb 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 64.21 62.81 1dp0 n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dp0 n ARG 166 N -1.41 1.96 -4.22 1.43 5.12 -1.26 -3.72 116.66 114.55 1dp0 n ARG 166 Ca 0.03 -1.32 -0.14 0.00 -1.93 0.00 0.00 57.85 54.49 1dp0 n ARG 166 Cb 0.10 -1.04 -0.10 0.00 -1.16 0.00 0.00 32.46 30.26 1dp0 n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1dp0 s LEU 167 N -0.77 2.50 0.35 0.55 1.43 -1.23 -4.48 118.68 117.04 1dp0 s LEU 167 Ca 0.03 -0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 51.89 1dp0 s LEU 167 Cb 0.02 -0.30 -0.09 0.00 0.03 0.00 0.00 46.19 45.85 1dp0 s LEU 167 CO 0.03 -0.34 1.19 -2.16 0.23 0.00 0.00 176.35 175.30 1dp0 s PRO 168 N -3.58 4.27 -0.16 1.29 0.04 -1.22 -4.51 135.00 131.13 1dp0 s PRO 168 Ca 0.14 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.13 1dp0 s PRO 168 Cb 0.02 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.66 1dp0 s PRO 168 CO -0.00 -0.16 -0.17 -1.12 0.04 0.00 0.00 177.00 175.58 1dp0 s SER 169 N -0.88 3.45 -0.02 6.66 0.01 -0.15 -4.96 113.70 117.80 1dp0 s SER 169 Ca 0.52 -0.54 0.07 0.00 1.31 0.00 0.00 55.95 57.31 1dp0 s SER 169 Cb -0.34 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 1dp0 s SER 169 CO 0.43 0.06 -0.24 -1.61 0.41 0.00 0.00 173.24 172.29 1dp0 s GLU 170 N 0.97 1.99 0.01 12.44 2.02 -1.26 -1.14 118.70 133.73 1dp0 s GLU 170 Ca -0.03 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1dp0 s GLU 170 Cb -0.15 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 1dp0 s GLU 170 CO -0.04 0.50 -0.10 -0.06 0.02 0.00 0.00 175.26 175.58 1dp0 s PHE 171 N -0.51 0.92 -0.32 1.61 0.40 -0.71 -0.03 117.98 119.34 1dp0 s PHE 171 Ca 0.08 -0.26 -0.26 0.00 -0.60 0.00 0.00 56.93 55.89 1dp0 s PHE 171 Cb -0.10 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 42.87 1dp0 s PHE 171 CO -0.00 -0.01 0.93 0.34 0.70 0.00 0.00 175.22 177.17 1dp0 s ASP 172 N -0.68 6.78 0.00 1.36 -1.08 -1.26 -1.06 116.67 120.73 1dp0 s ASP 172 Ca 0.01 0.81 0.23 0.00 -0.52 0.00 0.00 52.55 53.08 1dp0 s ASP 172 Cb -0.06 -2.47 0.48 0.00 -1.46 0.00 0.00 42.92 39.41 1dp0 s ASP 172 CO 0.00 -0.76 1.43 0.18 0.52 0.00 0.00 175.17 176.54 1dp0 n LEU 173 N 6.56 3.58 -0.27 -1.34 4.77 0.95 -4.65 117.00 126.60 1dp0 n LEU 173 Ca 0.08 -1.64 0.02 0.00 -0.03 0.00 0.00 56.01 54.44 1dp0 n LEU 173 Cb 0.48 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1dp0 n LEU 173 CO 0.55 0.81 0.70 0.28 -1.33 0.00 0.00 177.39 178.40 1dp0 h SER 174 N 4.38 -0.74 -0.00 -1.43 0.02 -1.81 0.13 113.55 114.10 1dp0 h SER 174 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1dp0 h SER 174 Cb 0.98 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1dp0 h SER 174 CO 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.43 1dp0 n ALA 175 N -3.29 2.67 0.24 3.77 0.00 -1.26 -3.89 120.51 118.76 1dp0 n ALA 175 Ca 0.11 -0.23 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1dp0 n ALA 175 Cb 0.40 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 1dp0 n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dp0 n PHE 176 N -0.84 0.00 -2.87 0.00 3.01 0.43 -5.03 117.46 112.16 1dp0 n PHE 176 Ca 0.23 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.48 1dp0 n PHE 176 Cb 0.14 -0.17 0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1dp0 n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dp0 s LEU 177 N -3.33 3.51 0.07 4.37 1.43 -0.99 -4.70 118.68 119.04 1dp0 s LEU 177 Ca -0.01 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1dp0 s LEU 177 Cb 0.09 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1dp0 s LEU 177 CO 0.52 -0.88 0.02 0.00 0.23 0.00 0.00 176.35 176.25 1dp0 s ARG 178 N -4.60 0.70 0.38 1.70 1.70 -1.26 -5.05 118.95 112.51 1dp0 s ARG 178 Ca 0.52 -1.20 -0.27 0.00 -0.47 0.00 0.00 55.73 54.32 1dp0 s ARG 178 Cb -0.10 0.24 -0.11 0.00 -0.57 0.00 0.00 34.95 34.41 1dp0 s ARG 178 CO 0.37 -0.16 1.30 0.00 -1.08 0.00 0.00 175.30 175.73 1dp0 n ALA 179 N 0.05 1.41 0.00 7.88 0.00 -1.26 -4.57 120.51 124.02 1dp0 n ALA 179 Ca -0.13 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1dp0 n ALA 179 Cb 0.62 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1dp0 n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dp0 n GLY 180 N 0.75 0.72 3.74 0.00 0.00 -0.36 -4.92 105.19 105.12 1dp0 n GLY 180 Ca 0.05 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1dp0 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dp0 s GLU 181 N 0.00 4.53 0.06 1.61 2.02 -1.26 -0.55 118.70 125.10 1dp0 s GLU 181 Ca 0.00 1.82 0.01 0.00 0.02 0.00 0.00 54.97 56.83 1dp0 s GLU 181 Cb 0.00 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1dp0 s GLU 181 CO 0.00 -0.03 -0.06 -0.80 0.02 0.00 0.00 175.26 174.39 1dp0 s ASN 182 N 0.02 0.83 -0.07 -0.19 0.01 0.22 -4.78 114.94 110.99 1dp0 s ASN 182 Ca 0.51 -0.77 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 1dp0 s ASN 182 Cb -0.32 0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.45 1dp0 s ASN 182 CO 0.36 -0.37 -0.11 -0.60 -1.51 0.00 0.00 177.10 174.88 1dp0 s ARG 183 N -2.71 1.61 0.15 -0.60 3.52 -1.26 -0.15 118.95 119.52 1dp0 s ARG 183 Ca -0.00 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1dp0 s ARG 183 Cb -0.02 -1.37 -0.05 0.00 -1.56 0.00 0.00 34.95 31.95 1dp0 s ARG 183 CO -0.03 -0.01 0.36 -0.51 -0.81 0.00 0.00 175.30 174.31 1dp0 s LEU 184 N 0.77 4.26 -0.07 -0.88 1.43 0.73 -0.42 118.68 124.51 1dp0 s LEU 184 Ca -0.13 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1dp0 s LEU 184 Cb -0.15 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.85 1dp0 s LEU 184 CO 0.02 0.04 -0.02 0.00 0.23 0.00 0.00 176.35 176.62 1dp0 s ALA 185 N -1.70 0.79 -0.14 4.21 0.00 -0.41 -1.97 121.76 122.54 1dp0 s ALA 185 Ca 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1dp0 s ALA 185 Cb -0.12 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1dp0 s ALA 185 CO 0.26 -0.32 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 1dp0 s VAL 186 N 1.61 1.46 -0.36 0.00 1.01 0.88 -0.68 120.40 124.31 1dp0 s VAL 186 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1dp0 s VAL 186 Cb -0.13 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1dp0 s VAL 186 CO -0.04 0.44 0.18 -0.32 0.00 0.00 0.00 175.10 175.36 1dp0 s MET 187 N 1.49 2.83 -0.22 2.72 1.75 -0.24 -0.60 119.30 127.04 1dp0 s MET 187 Ca 0.04 -1.07 -0.09 0.00 -1.25 0.00 0.00 55.69 53.33 1dp0 s MET 187 Cb -0.13 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.83 1dp0 s MET 187 CO -0.09 -0.67 0.10 0.08 -0.65 0.00 0.00 175.02 173.79 1dp0 s VAL 188 N 1.53 4.88 -0.11 10.11 1.01 0.25 -1.60 120.40 136.47 1dp0 s VAL 188 Ca 0.02 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 1dp0 s VAL 188 Cb -0.19 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1dp0 s VAL 188 CO 0.06 0.38 0.47 -0.76 0.00 0.00 0.00 175.10 175.25 1dp0 s LEU 189 N 0.99 4.29 0.11 3.92 1.43 0.05 -0.49 118.68 128.98 1dp0 s LEU 189 Ca 0.05 0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 1dp0 s LEU 189 Cb -0.14 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1dp0 s LEU 189 CO 0.03 0.03 1.53 -0.09 0.23 0.00 0.00 176.35 178.08 1dp0 h ARG 190 N 6.55 0.67 -6.35 1.70 2.43 -1.33 -1.23 114.38 116.82 1dp0 h ARG 190 Ca -0.42 -0.24 -0.68 0.00 -0.81 0.00 0.00 59.98 57.83 1dp0 h ARG 190 Cb 1.18 -0.05 -0.19 0.00 -0.42 0.00 0.00 29.97 30.49 1dp0 h ARG 190 CO 0.74 0.81 -0.74 -1.58 -1.51 0.00 0.00 179.97 177.70 1dp0 s TRP 191 N -4.86 2.78 0.39 2.20 0.52 -1.26 -3.86 118.94 114.85 1dp0 s TRP 191 Ca -0.13 -0.11 -0.11 0.00 0.02 0.00 0.00 56.10 55.78 1dp0 s TRP 191 Cb 0.09 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.87 1dp0 s TRP 191 CO 0.79 0.31 0.70 -1.13 0.02 0.00 0.00 176.95 177.64 1dp0 n SER 192 N 1.73 -2.02 0.31 2.95 3.41 -1.26 -4.93 113.62 113.81 1dp0 n SER 192 Ca -0.16 -2.72 0.19 0.00 -0.26 0.00 0.00 58.87 55.92 1dp0 n SER 192 Cb 0.52 3.45 0.97 0.00 -0.26 0.00 0.00 64.21 68.90 1dp0 n SER 192 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1dp0 h ASP 193 N 2.00 0.00 0.45 4.04 3.04 -0.43 -0.12 116.42 125.40 1dp0 h ASP 193 Ca -0.32 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.44 1dp0 h ASP 193 Cb 1.24 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1dp0 h ASP 193 CO 0.41 0.02 -0.14 1.23 -2.04 0.00 0.00 179.24 178.72 1dp0 h GLY 194 N 0.64 0.00 1.81 7.15 0.00 -1.90 -2.38 103.07 108.39 1dp0 h GLY 194 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1dp0 h GLY 194 CO 0.00 0.00 0.07 1.76 0.00 0.00 0.00 176.54 178.38 1dp0 h SER 195 N 0.00 0.01 0.61 0.19 0.02 -1.36 0.11 113.55 113.13 1dp0 h SER 195 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dp0 h SER 195 Cb 0.41 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1dp0 h SER 195 CO 0.02 0.01 0.00 1.88 -1.14 0.00 0.00 176.83 177.60 1dp0 h TYR 196 N 0.02 0.00 -0.68 3.45 -1.99 -1.58 -1.76 116.97 114.42 1dp0 h TYR 196 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1dp0 h TYR 196 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1dp0 h TYR 196 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1dp0 n LEU 197 N -2.93 3.84 -2.50 3.88 4.77 0.36 -4.44 117.00 119.98 1dp0 n LEU 197 Ca -0.00 -1.99 -0.22 0.00 -0.03 0.00 0.00 56.01 53.77 1dp0 n LEU 197 Cb 0.21 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1dp0 n LEU 197 CO 0.23 0.96 0.11 -0.62 -1.33 0.00 0.00 177.39 176.74 1dp0 n GLU 198 N 1.52 2.87 -0.93 3.23 1.02 -0.66 -1.01 120.64 126.67 1dp0 n GLU 198 Ca 0.23 -4.17 -0.19 0.00 -0.02 0.00 0.00 57.16 53.00 1dp0 n GLU 198 Cb 0.60 -2.00 0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1dp0 n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1dp0 n ASP 199 N -0.40 5.22 -4.76 1.62 2.03 -0.21 -4.98 116.55 115.07 1dp0 n ASP 199 Ca 0.32 -3.19 -0.34 0.00 0.52 0.00 0.00 54.79 52.09 1dp0 n ASP 199 Cb 0.72 -0.88 0.04 0.00 -0.72 0.00 0.00 41.12 40.28 1dp0 n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1dp0 s GLN 200 N -2.35 2.91 -1.10 -0.67 1.11 -1.26 -4.60 119.66 113.70 1dp0 s GLN 200 Ca 0.40 1.58 -0.22 0.00 0.01 0.00 0.00 55.36 57.13 1dp0 s GLN 200 Cb 0.33 -1.95 -0.02 0.00 -1.01 0.00 0.00 33.01 30.36 1dp0 s GLN 200 CO 0.03 -1.20 1.80 0.34 0.01 0.00 0.00 175.29 176.27 1dp0 s ASP 201 N -2.09 5.73 0.25 5.90 2.15 -1.26 -4.83 116.67 122.53 1dp0 s ASP 201 Ca 0.72 -1.51 -0.21 0.00 0.43 0.00 0.00 52.55 51.98 1dp0 s ASP 201 Cb -0.24 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 39.86 1dp0 s ASP 201 CO 0.36 -2.27 0.92 0.00 -0.17 0.00 0.00 175.17 174.01 1dp0 s MET 202 N 5.85 1.61 0.45 4.34 0.23 -1.26 -5.02 119.30 125.51 1dp0 s MET 202 Ca 0.61 -1.00 -0.25 0.00 -1.03 0.00 0.00 55.69 54.02 1dp0 s MET 202 Cb -0.01 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.68 1dp0 s MET 202 CO 0.04 -0.75 1.35 -1.58 -2.03 0.00 0.00 175.02 172.04 1dp0 s TRP 203 N -2.56 2.60 -0.47 3.16 0.52 -1.26 -4.28 118.94 116.64 1dp0 s TRP 203 Ca 0.17 1.36 -0.18 0.00 0.02 0.00 0.00 56.10 57.47 1dp0 s TRP 203 Cb -0.03 -3.77 0.05 0.00 -1.15 0.00 0.00 33.47 28.57 1dp0 s TRP 203 CO 0.07 -2.50 0.55 1.03 0.02 0.00 0.00 176.95 176.11 1dp0 s ARG 204 N -2.46 3.11 0.03 4.98 1.81 0.82 -4.93 118.95 122.31 1dp0 s ARG 204 Ca 0.61 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 1dp0 s ARG 204 Cb -0.40 -4.06 -0.00 0.00 -0.45 0.00 0.00 34.95 30.04 1dp0 s ARG 204 CO 0.51 -1.08 0.00 -1.33 -0.68 0.00 0.00 175.30 172.72 1dp0 n MET 205 N 5.90 1.75 -3.62 3.54 2.81 -1.26 -2.64 117.12 123.59 1dp0 n MET 205 Ca -0.07 -0.24 -0.08 0.00 -1.81 0.00 0.00 57.70 55.50 1dp0 n MET 205 Cb 0.46 0.07 -0.02 0.00 -0.71 0.00 0.00 33.22 33.02 1dp0 n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1dp0 s SER 206 N -1.18 -0.35 0.00 7.83 1.04 -1.26 -4.83 113.70 114.94 1dp0 s SER 206 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1dp0 s SER 206 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1dp0 s SER 206 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1dp0 n GLY 207 N -0.38 0.78 3.42 7.32 0.00 -0.21 -1.93 105.19 114.19 1dp0 n GLY 207 Ca -0.09 -2.20 -0.45 0.00 0.00 0.00 0.00 46.02 43.29 1dp0 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dp0 s ILE 208 N -0.89 5.05 -2.58 -0.61 1.01 -1.21 -1.11 121.20 120.86 1dp0 s ILE 208 Ca 0.00 -2.09 0.21 0.00 0.00 0.00 0.00 60.65 58.78 1dp0 s ILE 208 Cb 0.00 -4.73 0.20 0.00 0.01 0.00 0.00 42.46 37.94 1dp0 s ILE 208 CO 0.00 -1.42 1.20 2.22 0.00 0.00 0.00 174.94 176.94 1dp0 n PHE 209 N 5.61 0.07 -4.61 3.97 1.16 -0.63 -0.76 117.46 122.28 1dp0 n PHE 209 Ca 0.25 -0.04 -0.28 0.00 -1.87 0.00 0.00 57.45 55.51 1dp0 n PHE 209 Cb 0.47 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.25 1dp0 n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1dp0 s ARG 210 N -1.71 1.97 0.70 3.97 0.52 -1.12 -4.40 118.95 118.88 1dp0 s ARG 210 Ca 0.26 -2.18 -0.16 0.00 -0.52 0.00 0.00 55.73 53.13 1dp0 s ARG 210 Cb 0.18 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1dp0 s ARG 210 CO 0.27 -0.29 1.10 -0.25 0.02 0.00 0.00 175.30 176.15 1dp0 n ASP 211 N -1.09 1.07 -4.20 0.23 8.00 -1.26 -4.47 116.55 114.82 1dp0 n ASP 211 Ca -0.09 0.72 -0.31 0.00 0.71 0.00 0.00 54.79 55.82 1dp0 n ASP 211 Cb 0.66 -1.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.13 1dp0 n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dp0 s VAL 212 N -1.69 1.91 0.16 2.53 1.01 -1.26 -1.06 120.40 122.01 1dp0 s VAL 212 Ca 0.77 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1dp0 s VAL 212 Cb -0.36 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1dp0 s VAL 212 CO 0.47 0.53 0.19 -0.94 0.00 0.00 0.00 175.10 175.35 1dp0 s SER 213 N 0.25 0.15 -0.08 3.32 1.04 0.04 0.03 113.70 118.44 1dp0 s SER 213 Ca -0.14 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 55.26 1dp0 s SER 213 Cb -0.16 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1dp0 s SER 213 CO 0.07 -0.84 -0.19 -0.22 0.98 0.00 0.00 173.24 173.03 1dp0 s LEU 214 N -3.02 1.92 -0.08 2.42 2.96 0.95 0.12 118.68 123.95 1dp0 s LEU 214 Ca 0.23 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1dp0 s LEU 214 Cb 0.05 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.58 1dp0 s LEU 214 CO 0.03 0.12 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.76 1dp0 s LEU 215 N 0.38 1.92 -0.23 -0.68 2.96 0.10 -0.28 118.68 122.86 1dp0 s LEU 215 Ca -0.15 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 1dp0 s LEU 215 Cb -0.16 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.31 1dp0 s LEU 215 CO 0.06 0.12 0.14 -2.28 -1.32 0.00 0.00 176.35 173.08 1dp0 s HIS 216 N 0.39 3.33 0.20 5.38 5.65 0.34 -1.26 115.29 129.32 1dp0 s HIS 216 Ca -0.15 0.22 0.10 0.00 0.25 0.00 0.00 55.06 55.48 1dp0 s HIS 216 Cb -0.16 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 28.96 1dp0 s HIS 216 CO 0.06 0.11 -0.20 0.15 -0.65 0.00 0.00 174.74 174.21 1dp0 s LYS 217 N 0.86 1.44 0.76 2.88 -0.14 -0.01 -4.74 119.74 120.78 1dp0 s LYS 217 Ca 0.07 -1.53 -0.11 0.00 -1.36 0.00 0.00 55.97 53.05 1dp0 s LYS 217 Cb -0.13 -1.57 0.05 0.00 -1.68 0.00 0.00 37.83 34.49 1dp0 s LYS 217 CO 0.03 0.32 1.08 -2.14 -0.76 0.00 0.00 175.35 173.88 1dp0 s PRO 218 N -2.94 2.40 0.23 -1.68 0.02 -1.26 -0.05 135.00 131.72 1dp0 s PRO 218 Ca 0.20 0.80 -0.07 0.00 0.02 0.00 0.00 61.00 61.96 1dp0 s PRO 218 Cb -0.06 -1.94 0.27 0.00 0.02 0.00 0.00 34.50 32.79 1dp0 s PRO 218 CO 0.09 -1.44 1.87 1.15 -0.33 0.00 0.00 177.00 178.34 1dp0 h THR 219 N -0.96 1.11 -3.60 0.99 2.02 -1.93 -3.36 112.91 107.18 1dp0 h THR 219 Ca -0.46 -0.35 -0.67 0.00 0.77 0.00 0.00 66.41 65.70 1dp0 h THR 219 Cb 1.24 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.48 1dp0 h THR 219 CO 0.58 0.18 -0.22 -0.89 0.37 0.00 0.00 175.52 175.54 1dp0 s THR 220 N -6.09 5.11 0.18 3.16 2.01 -1.26 -4.05 115.64 114.69 1dp0 s THR 220 Ca -0.13 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 1dp0 s THR 220 Cb 0.17 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1dp0 s THR 220 CO 0.79 -0.25 0.29 0.00 -0.69 0.00 0.00 174.62 174.75 1dp0 s GLN 221 N 2.12 1.20 -0.33 4.92 -2.07 -0.47 -4.87 119.66 120.17 1dp0 s GLN 221 Ca 0.13 -1.23 -0.28 0.00 -1.82 0.00 0.00 55.36 52.16 1dp0 s GLN 221 Cb -0.17 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 32.14 1dp0 s GLN 221 CO 0.13 -0.44 1.04 0.42 -1.32 0.00 0.00 175.29 175.11 1dp0 s ILE 222 N -3.99 4.54 -0.46 3.63 1.01 -1.26 -1.40 121.20 123.26 1dp0 s ILE 222 Ca 0.20 1.62 0.22 0.00 0.00 0.00 0.00 60.65 62.69 1dp0 s ILE 222 Cb 0.03 -4.39 -0.27 0.00 0.01 0.00 0.00 42.46 37.85 1dp0 s ILE 222 CO 0.02 -0.48 0.71 -1.54 0.00 0.00 0.00 174.94 173.65 1dp0 n SER 223 N 6.82 0.46 -3.57 3.58 3.41 -0.44 -4.91 113.62 118.97 1dp0 n SER 223 Ca 0.11 -0.39 -0.07 0.00 -0.26 0.00 0.00 58.87 58.26 1dp0 n SER 223 Cb 0.47 1.47 -0.03 0.00 -0.26 0.00 0.00 64.21 65.86 1dp0 n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dp0 s ASP 224 N -3.90 -0.24 -0.15 4.04 -1.08 -1.21 -4.85 116.67 109.29 1dp0 s ASP 224 Ca -0.01 0.10 -0.22 0.00 -0.52 0.00 0.00 52.55 51.90 1dp0 s ASP 224 Cb 0.15 0.23 0.06 0.00 -1.46 0.00 0.00 42.92 41.89 1dp0 s ASP 224 CO 0.88 -0.33 0.57 0.72 0.52 0.00 0.00 175.17 177.53 1dp0 s PHE 225 N -2.14 -0.58 -0.05 -5.34 -0.12 -1.26 -1.28 117.98 107.21 1dp0 s PHE 225 Ca 0.06 1.27 0.03 0.00 -0.05 0.00 0.00 56.93 58.23 1dp0 s PHE 225 Cb -0.01 0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 1dp0 s PHE 225 CO -0.05 -0.40 -0.13 -1.01 -0.05 0.00 0.00 175.22 173.59 1dp0 s HIS 226 N -0.31 1.45 -0.16 3.49 3.76 -0.33 -4.81 115.29 118.39 1dp0 s HIS 226 Ca -0.05 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1dp0 s HIS 226 Cb -0.03 -1.03 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 1dp0 s HIS 226 CO 0.04 -0.22 -0.10 0.08 -0.85 0.00 0.00 174.74 173.68 1dp0 s VAL 227 N 0.44 3.22 0.16 -0.90 1.01 -1.26 -1.20 120.40 121.86 1dp0 s VAL 227 Ca -0.10 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1dp0 s VAL 227 Cb -0.14 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1dp0 s VAL 227 CO 0.03 0.50 -0.23 0.00 0.00 0.00 0.00 175.10 175.40 1dp0 s ALA 228 N 0.63 2.26 -0.12 5.51 0.00 -0.31 -4.85 121.76 124.89 1dp0 s ALA 228 Ca -0.06 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 1dp0 s ALA 228 Cb -0.15 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1dp0 s ALA 228 CO 0.03 0.40 -0.01 0.95 0.00 0.00 0.00 175.76 177.12 1dp0 s THR 229 N -1.52 0.66 0.13 0.00 -4.23 -1.26 -0.88 115.64 108.54 1dp0 s THR 229 Ca 0.16 -0.24 0.09 0.00 -1.18 0.00 0.00 61.69 60.52 1dp0 s THR 229 Cb -0.08 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1dp0 s THR 229 CO 0.07 0.15 -0.17 -0.13 -0.54 0.00 0.00 174.62 174.01 1dp0 s ARG 230 N 1.84 1.82 0.24 3.99 0.52 -0.66 -4.79 118.95 121.90 1dp0 s ARG 230 Ca 0.03 -1.22 0.06 0.00 -0.52 0.00 0.00 55.73 54.08 1dp0 s ARG 230 Cb -0.14 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 1dp0 s ARG 230 CO -0.07 0.47 -0.08 -0.06 0.02 0.00 0.00 175.30 175.58 1dp0 s PHE 231 N -1.29 1.74 0.91 -0.53 0.40 -1.26 -0.70 117.98 117.25 1dp0 s PHE 231 Ca 0.19 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 1dp0 s PHE 231 Cb -0.10 -0.94 0.20 0.00 0.51 0.00 0.00 43.02 42.69 1dp0 s PHE 231 CO 0.11 0.22 1.24 0.54 0.70 0.00 0.00 175.22 178.03 1dp0 s ASN 232 N -3.36 3.31 0.38 1.36 4.22 -0.71 -4.92 114.94 115.22 1dp0 s ASN 232 Ca 0.26 -0.07 0.11 0.00 -2.14 0.00 0.00 52.86 51.02 1dp0 s ASN 232 Cb 0.03 0.00 0.88 0.00 1.28 0.00 0.00 41.25 43.44 1dp0 s ASN 232 CO 0.09 -2.58 1.91 -2.24 -2.04 0.00 0.00 177.10 172.23 1dp0 h ASP 233 N -1.36 0.56 -0.24 3.54 3.04 -2.01 -1.73 116.42 118.22 1dp0 h ASP 233 Ca -0.41 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 1dp0 h ASP 233 Cb 1.23 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1dp0 h ASP 233 CO 0.34 0.31 0.00 -0.90 -2.04 0.00 0.00 179.24 176.95 1dp0 n ASP 234 N -4.51 3.61 -0.73 4.15 5.68 -1.26 -4.94 116.55 118.53 1dp0 n ASP 234 Ca 0.15 -2.91 -0.10 0.00 -0.50 0.00 0.00 54.79 51.43 1dp0 n ASP 234 Cb 0.43 -0.49 -0.04 0.00 -1.14 0.00 0.00 41.12 39.88 1dp0 n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1dp0 n PHE 235 N -0.51 0.00 0.85 2.11 3.01 -0.65 -4.85 117.46 117.41 1dp0 n PHE 235 Ca 0.20 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.78 1dp0 n PHE 235 Cb 0.81 -2.12 0.29 0.00 -0.01 0.00 0.00 39.48 38.45 1dp0 n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1dp0 n SER 236 N -0.37 0.50 -3.93 4.37 3.41 -1.26 -4.52 113.62 111.82 1dp0 n SER 236 Ca -0.10 0.02 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 1dp0 n SER 236 Cb 0.42 0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.30 1dp0 n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1dp0 s ARG 237 N -3.06 0.20 0.11 4.33 0.52 -1.26 0.84 118.95 120.63 1dp0 s ARG 237 Ca 0.10 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1dp0 s ARG 237 Cb 0.16 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1dp0 s ARG 237 CO 0.68 -0.03 0.03 0.00 0.02 0.00 0.00 175.30 175.99 1dp0 s ALA 238 N -0.88 0.79 -0.09 2.13 0.00 -0.29 -1.74 121.76 121.68 1dp0 s ALA 238 Ca -0.10 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.47 1dp0 s ALA 238 Cb -0.06 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1dp0 s ALA 238 CO -0.00 -0.45 -0.13 0.08 0.00 0.00 0.00 175.76 175.25 1dp0 s VAL 239 N -4.00 1.30 -0.22 0.00 1.01 0.12 -1.08 120.40 117.52 1dp0 s VAL 239 Ca 0.20 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1dp0 s VAL 239 Cb 0.08 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1dp0 s VAL 239 CO -0.01 0.40 0.24 -0.22 0.00 0.00 0.00 175.10 175.51 1dp0 s LEU 240 N 0.96 4.14 -0.12 3.92 0.20 0.13 -1.65 118.68 126.25 1dp0 s LEU 240 Ca -0.08 0.26 0.02 0.00 0.69 0.00 0.00 54.13 55.02 1dp0 s LEU 240 Cb -0.15 -2.25 -0.00 0.00 -0.43 0.00 0.00 46.19 43.36 1dp0 s LEU 240 CO -0.00 0.03 -0.20 -1.61 -0.29 0.00 0.00 176.35 174.27 1dp0 s GLU 241 N 1.08 3.14 -0.14 1.98 2.02 -0.06 -0.90 118.70 125.82 1dp0 s GLU 241 Ca 0.12 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1dp0 s GLU 241 Cb -0.14 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.68 1dp0 s GLU 241 CO 0.05 0.13 -0.14 0.00 0.02 0.00 0.00 175.26 175.33 1dp0 s ALA 242 N 0.48 1.80 -0.18 5.21 0.00 -0.26 -1.16 121.76 127.66 1dp0 s ALA 242 Ca -0.13 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1dp0 s ALA 242 Cb -0.17 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1dp0 s ALA 242 CO 0.05 -0.34 0.28 -2.00 0.00 0.00 0.00 175.76 173.75 1dp0 s GLU 243 N 1.43 4.23 -0.06 0.00 2.12 -0.34 -1.08 118.70 124.99 1dp0 s GLU 243 Ca 0.03 0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.46 1dp0 s GLU 243 Cb -0.13 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 1dp0 s GLU 243 CO -0.09 0.20 -0.22 0.08 -0.54 0.00 0.00 175.26 174.69 1dp0 s VAL 244 N 0.60 1.83 0.09 3.70 1.01 0.10 -1.18 120.40 126.54 1dp0 s VAL 244 Ca 0.15 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1dp0 s VAL 244 Cb -0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1dp0 s VAL 244 CO 0.04 0.51 -0.15 -1.10 0.00 0.00 0.00 175.10 174.40 1dp0 s GLN 245 N 0.04 2.01 0.24 2.72 -0.21 -0.40 -1.45 119.66 122.61 1dp0 s GLN 245 Ca -0.07 -1.05 0.06 0.00 0.02 0.00 0.00 55.36 54.32 1dp0 s GLN 245 Cb -0.14 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.60 1dp0 s GLN 245 CO 0.04 0.51 -0.08 0.00 -2.12 0.00 0.00 175.29 173.65 1dp0 s MET 246 N -1.94 1.43 0.14 2.91 0.23 -0.59 -1.33 119.30 120.15 1dp0 s MET 246 Ca 0.18 -1.70 0.08 0.00 -1.03 0.00 0.00 55.69 53.22 1dp0 s MET 246 Cb -0.11 -1.04 -0.04 0.00 -1.53 0.00 0.00 34.83 32.11 1dp0 s MET 246 CO 0.10 0.06 -0.17 0.00 -2.03 0.00 0.00 175.02 172.98 1dp0 n GLY 248 N 0.56 0.26 3.55 0.00 0.00 -1.26 -1.37 105.19 106.94 1dp0 n GLY 248 Ca -0.15 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 1dp0 n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dp0 s GLU 249 N 0.00 3.23 -0.34 1.61 2.12 -1.26 -4.98 118.70 119.08 1dp0 s GLU 249 Ca 0.00 -0.39 -0.25 0.00 0.36 0.00 0.00 54.97 54.69 1dp0 s GLU 249 Cb 0.00 -4.50 0.01 0.00 0.26 0.00 0.00 34.13 29.90 1dp0 s GLU 249 CO 0.00 -2.23 0.86 -1.17 -0.54 0.00 0.00 175.26 172.18 1dp0 s LEU 250 N 5.88 4.05 0.03 2.70 0.20 -1.26 -4.95 118.68 125.34 1dp0 s LEU 250 Ca 0.41 0.61 -0.04 0.00 0.69 0.00 0.00 54.13 55.80 1dp0 s LEU 250 Cb -0.06 -3.18 -0.01 0.00 -0.43 0.00 0.00 46.19 42.51 1dp0 s LEU 250 CO 0.09 -0.75 0.07 -0.13 -0.29 0.00 0.00 176.35 175.34 1dp0 s ARG 251 N 3.23 0.52 0.62 1.98 1.81 -1.26 -5.05 118.95 120.79 1dp0 s ARG 251 Ca 0.35 -0.69 0.34 0.00 -1.72 0.00 0.00 55.73 54.02 1dp0 s ARG 251 Cb -0.13 0.20 1.97 0.00 -0.45 0.00 0.00 34.95 36.54 1dp0 s ARG 251 CO 0.16 -0.12 2.22 -0.44 -0.68 0.00 0.00 175.30 176.44 1dp0 h ASP 252 N 3.93 0.00 0.52 0.23 3.32 -1.99 -1.64 116.42 120.79 1dp0 h ASP 252 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1dp0 h ASP 252 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1dp0 h ASP 252 CO 0.48 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.93 1dp0 n TYR 253 N -3.50 0.00 -2.47 4.55 0.18 -1.26 -4.88 117.16 109.79 1dp0 n TYR 253 Ca -0.02 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.43 1dp0 n TYR 253 Cb 0.17 -0.26 -0.03 0.00 -0.38 0.00 0.00 39.34 38.83 1dp0 n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1dp0 s LEU 254 N -2.59 3.75 0.13 -3.48 1.43 -0.62 -0.39 118.68 116.92 1dp0 s LEU 254 Ca 0.27 1.79 -0.09 0.00 -1.03 0.00 0.00 54.13 55.07 1dp0 s LEU 254 Cb 0.20 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.88 1dp0 s LEU 254 CO 0.48 -0.74 0.26 -0.13 0.23 0.00 0.00 176.35 176.45 1dp0 s ARG 255 N -3.55 1.03 -0.04 1.70 1.81 0.07 -3.97 118.95 116.01 1dp0 s ARG 255 Ca 0.64 -1.06 0.05 0.00 -1.72 0.00 0.00 55.73 53.63 1dp0 s ARG 255 Cb -0.14 0.37 -0.01 0.00 -0.45 0.00 0.00 34.95 34.73 1dp0 s ARG 255 CO 0.24 -0.36 -0.18 0.08 -0.68 0.00 0.00 175.30 174.40 1dp0 s VAL 256 N -3.92 1.47 -0.13 3.52 1.01 -0.38 -0.77 120.40 121.21 1dp0 s VAL 256 Ca 0.12 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1dp0 s VAL 256 Cb 0.04 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1dp0 s VAL 256 CO -0.05 0.42 -0.22 -0.89 0.00 0.00 0.00 175.10 174.37 1dp0 s THR 257 N -0.05 1.99 -0.15 3.92 2.01 -0.22 -1.78 115.64 121.36 1dp0 s THR 257 Ca -0.02 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 1dp0 s THR 257 Cb -0.11 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1dp0 s THR 257 CO 0.02 0.54 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 1dp0 s VAL 258 N 0.75 3.07 0.08 3.82 1.01 -0.18 -1.09 120.40 127.87 1dp0 s VAL 258 Ca -0.09 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1dp0 s VAL 258 Cb -0.16 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1dp0 s VAL 258 CO 0.00 0.51 -0.22 -0.94 0.00 0.00 0.00 175.10 174.45 1dp0 s SER 259 N 0.57 2.62 -0.09 3.32 1.04 -0.72 -1.28 113.70 119.15 1dp0 s SER 259 Ca -0.07 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.78 1dp0 s SER 259 Cb -0.15 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 1dp0 s SER 259 CO 0.03 0.12 -0.24 -0.22 0.98 0.00 0.00 173.24 173.91 1dp0 s LEU 260 N -1.60 2.07 0.04 2.42 2.96 0.43 -1.25 118.68 123.75 1dp0 s LEU 260 Ca 0.08 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1dp0 s LEU 260 Cb -0.10 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 1dp0 s LEU 260 CO 0.03 0.18 -0.21 0.26 -1.32 0.00 0.00 176.35 175.29 1dp0 s TRP 261 N 0.23 1.80 -0.32 5.38 0.52 0.37 -0.58 118.94 126.35 1dp0 s TRP 261 Ca -0.15 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.61 1dp0 s TRP 261 Cb -0.17 -1.08 0.08 0.00 -1.15 0.00 0.00 33.47 31.15 1dp0 s TRP 261 CO 0.08 0.09 0.01 -1.14 0.02 0.00 0.00 176.95 176.00 1dp0 s GLN 262 N -1.15 1.93 6.19 4.98 0.74 0.99 -0.70 119.66 132.65 1dp0 s GLN 262 Ca 0.07 -1.61 0.00 0.00 0.05 0.00 0.00 55.36 53.87 1dp0 s GLN 262 Cb -0.09 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.87 1dp0 s GLN 262 CO 0.02 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 1dp0 n GLY 263 N 4.41 2.67 0.50 2.59 0.00 -1.26 -0.99 105.19 113.11 1dp0 n GLY 263 Ca -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1dp0 n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dp0 n GLU 264 N 13.64 1.62 -4.20 1.61 1.02 -1.26 -4.83 120.64 128.25 1dp0 n GLU 264 Ca 0.00 -0.97 -0.35 0.00 -0.02 0.00 0.00 57.16 55.82 1dp0 n GLU 264 Cb 0.00 -1.21 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1dp0 n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dp0 s THR 265 N -1.64 4.55 -0.26 2.62 2.01 -0.16 -5.04 115.64 117.71 1dp0 s THR 265 Ca 0.18 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 1dp0 s THR 265 Cb 0.10 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1dp0 s THR 265 CO 0.13 0.55 0.74 -1.58 -0.69 0.00 0.00 174.62 173.76 1dp0 s GLN 266 N -0.32 4.09 -0.03 4.92 0.74 -1.26 -0.01 119.66 127.79 1dp0 s GLN 266 Ca 0.08 0.69 0.18 0.00 0.05 0.00 0.00 55.36 56.36 1dp0 s GLN 266 Cb -0.12 -3.67 -0.21 0.00 1.10 0.00 0.00 33.01 30.11 1dp0 s GLN 266 CO 0.02 -0.52 0.54 1.33 -0.55 0.00 0.00 175.29 176.10 1dp0 n VAL 267 N 5.31 1.02 -3.43 1.34 0.24 0.25 -4.95 118.33 118.11 1dp0 n VAL 267 Ca 0.03 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1dp0 n VAL 267 Cb 0.48 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 1dp0 n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dp0 s ALA 268 N -2.91 -1.62 -0.07 2.33 0.00 -1.16 -4.99 121.76 113.34 1dp0 s ALA 268 Ca -0.06 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 1dp0 s ALA 268 Cb 0.09 0.85 0.08 0.00 0.00 0.00 0.00 23.12 24.14 1dp0 s ALA 268 CO 0.84 -0.76 0.73 0.45 0.00 0.00 0.00 175.76 177.02 1dp0 s SER 269 N -2.71 -0.61 -0.05 0.00 0.15 -1.26 -0.43 113.70 108.79 1dp0 s SER 269 Ca 0.01 0.67 -0.11 0.00 0.70 0.00 0.00 55.95 57.22 1dp0 s SER 269 Cb -0.01 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1dp0 s SER 269 CO -0.12 -0.57 0.26 -0.83 1.20 0.00 0.00 173.24 173.18 1dp0 s GLY 270 N -1.18 -0.14 -0.00 9.45 0.00 -0.41 -4.99 107.32 110.06 1dp0 s GLY 270 Ca -0.09 0.42 0.04 0.00 0.00 0.00 0.00 44.72 45.09 1dp0 s GLY 270 CO 0.09 0.27 -0.13 -1.59 0.00 0.00 0.00 173.10 171.73 1dp0 s THR 271 N -0.73 1.03 0.05 0.90 2.01 -1.26 -1.00 115.64 116.63 1dp0 s THR 271 Ca -0.08 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.10 1dp0 s THR 271 Cb -0.04 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.64 1dp0 s THR 271 CO 0.02 0.25 0.49 0.00 -0.69 0.00 0.00 174.62 174.70 1dp0 s ALA 272 N -0.38 -1.25 0.74 7.40 0.00 -0.74 -4.99 121.76 122.55 1dp0 s ALA 272 Ca 0.05 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1dp0 s ALA 272 Cb -0.05 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1dp0 s ALA 272 CO -0.00 -0.51 1.11 -1.25 0.00 0.00 0.00 175.76 175.10 1dp0 s PRO 273 N -2.57 2.44 0.59 0.00 0.04 -1.26 -1.25 135.00 133.00 1dp0 s PRO 273 Ca -0.05 0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 1dp0 s PRO 273 Cb -0.01 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1dp0 s PRO 273 CO -0.03 -1.25 1.04 -0.06 0.04 0.00 0.00 177.00 176.74 1dp0 s PHE 274 N -3.41 3.10 0.00 0.56 0.40 -1.25 -4.84 117.98 112.54 1dp0 s PHE 274 Ca 0.60 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 58.41 1dp0 s PHE 274 Cb -0.11 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.47 1dp0 s PHE 274 CO 0.49 -0.98 0.00 0.41 0.70 0.00 0.00 175.22 175.84 1dp0 n GLY 275 N -1.25 2.26 3.90 4.36 0.00 0.52 -4.97 105.19 110.01 1dp0 n GLY 275 Ca 0.08 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1dp0 n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dp0 s GLY 276 N 0.00 1.77 0.95 -0.02 0.00 0.20 -4.84 107.32 105.38 1dp0 s GLY 276 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 1dp0 s GLY 276 CO 0.00 -0.41 1.11 -1.83 0.00 0.00 0.00 173.10 171.97 1dp0 s GLU 277 N -5.86 0.80 0.31 2.90 1.03 -1.26 -4.54 118.70 112.08 1dp0 s GLU 277 Ca 0.74 1.28 -0.29 0.00 0.03 0.00 0.00 54.97 56.73 1dp0 s GLU 277 Cb -0.04 -1.72 -0.10 0.00 -0.80 0.00 0.00 34.13 31.47 1dp0 s GLU 277 CO 0.53 -2.69 1.37 0.42 -1.33 0.00 0.00 175.26 173.56 1dp0 s ILE 278 N -2.67 2.64 0.00 1.83 1.01 -1.26 -4.35 121.20 118.39 1dp0 s ILE 278 Ca 0.66 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1dp0 s ILE 278 Cb -0.22 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1dp0 s ILE 278 CO 0.59 0.13 0.00 2.30 0.00 0.00 0.00 174.94 177.96 1dp0 n ILE 279 N 1.29 0.00 -3.38 2.92 -5.35 0.42 -4.91 119.36 110.36 1dp0 n ILE 279 Ca 0.02 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.48 1dp0 n ILE 279 Cb 0.41 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1dp0 n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1dp0 n ASP 280 N -1.58 -0.44 0.33 7.28 5.68 -0.62 -5.01 116.55 122.20 1dp0 n ASP 280 Ca 0.00 -1.39 0.22 0.00 -0.50 0.00 0.00 54.79 53.12 1dp0 n ASP 280 Cb 0.12 0.76 1.18 0.00 -1.14 0.00 0.00 41.12 42.04 1dp0 n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1dp0 h GLU 281 N 0.00 0.00 -0.12 0.11 3.07 -2.04 -0.07 114.58 115.52 1dp0 h GLU 281 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1dp0 h GLU 281 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1dp0 h GLU 281 CO 0.09 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.24 1dp0 n ARG 282 N -3.04 2.21 0.00 2.33 5.12 -1.26 -5.06 116.66 116.96 1dp0 n ARG 282 Ca -0.03 -1.78 0.00 0.00 -1.93 0.00 0.00 57.85 54.12 1dp0 n ARG 282 Cb 0.08 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1dp0 n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dp0 n GLY 283 N 1.34 0.20 1.13 -0.13 0.00 -0.04 -5.06 105.19 102.63 1dp0 n GLY 283 Ca 0.16 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 1dp0 n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 284 N 0.00 3.72 3.49 -0.02 0.00 -1.26 -0.43 105.19 110.69 1dp0 n GLY 284 Ca 0.00 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1dp0 n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dp0 s TYR 285 N -2.29 2.85 -0.53 1.61 1.51 -1.26 -4.88 117.35 114.36 1dp0 s TYR 285 Ca 0.11 -0.21 0.25 0.00 -1.01 0.00 0.00 57.07 56.20 1dp0 s TYR 285 Cb 0.01 -3.95 0.93 0.00 -0.11 0.00 0.00 41.96 38.83 1dp0 s TYR 285 CO 0.08 -1.29 1.75 0.00 -1.11 0.00 0.00 175.55 174.97 1dp0 h ALA 286 N 9.25 1.00 -0.59 3.71 0.00 -1.93 0.67 119.26 131.36 1dp0 h ALA 286 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1dp0 h ALA 286 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dp0 h ALA 286 CO 1.06 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.91 1dp0 n ASP 287 N -2.33 5.41 -4.16 0.00 5.75 -1.26 -3.41 116.55 116.55 1dp0 n ASP 287 Ca 0.03 -2.78 -0.10 0.00 -0.01 0.00 0.00 54.79 51.93 1dp0 n ASP 287 Cb 0.31 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 1dp0 n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dp0 s ARG 288 N -2.48 0.84 -0.09 0.11 0.52 -1.06 -1.54 118.95 115.24 1dp0 s ARG 288 Ca 0.53 -1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 54.22 1dp0 s ARG 288 Cb 0.39 -0.07 0.04 0.00 0.52 0.00 0.00 34.95 35.83 1dp0 s ARG 288 CO 0.19 -0.08 0.42 0.54 0.02 0.00 0.00 175.30 176.38 1dp0 s VAL 289 N -3.74 0.02 -0.17 3.52 0.11 -0.53 -0.35 120.40 119.26 1dp0 s VAL 289 Ca 0.14 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1dp0 s VAL 289 Cb 0.06 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1dp0 s VAL 289 CO -0.04 -0.10 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.55 1dp0 s THR 290 N -0.56 2.19 -0.06 5.04 2.01 -1.26 0.02 115.64 123.02 1dp0 s THR 290 Ca -0.07 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1dp0 s THR 290 Cb -0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1dp0 s THR 290 CO 0.03 0.53 0.12 -0.76 -0.69 0.00 0.00 174.62 173.86 1dp0 s LEU 291 N 1.08 4.18 -0.11 4.42 2.01 -0.24 -4.93 118.68 125.09 1dp0 s LEU 291 Ca -0.00 0.33 0.01 0.00 0.01 0.00 0.00 54.13 54.47 1dp0 s LEU 291 Cb -0.14 -2.22 0.02 0.00 0.01 0.00 0.00 46.19 43.86 1dp0 s LEU 291 CO -0.07 0.34 -0.12 -0.13 1.01 0.00 0.00 176.35 177.38 1dp0 s ARG 292 N -1.39 1.91 -0.12 1.70 0.52 -1.26 -1.10 118.95 119.20 1dp0 s ARG 292 Ca 0.20 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1dp0 s ARG 292 Cb -0.12 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.58 1dp0 s ARG 292 CO 0.10 -0.16 -0.14 -0.51 0.02 0.00 0.00 175.30 174.61 1dp0 s LEU 293 N 1.29 2.67 0.04 2.53 1.02 -0.08 -4.89 118.68 121.26 1dp0 s LEU 293 Ca -0.01 -0.33 -0.19 0.00 0.02 0.00 0.00 54.13 53.61 1dp0 s LEU 293 Cb -0.14 -1.59 -0.06 0.00 0.02 0.00 0.00 46.19 44.42 1dp0 s LEU 293 CO -0.05 0.18 0.56 0.20 0.02 0.00 0.00 176.35 177.26 1dp0 s ASN 294 N 0.24 7.01 -0.09 2.29 0.01 -1.26 -0.70 114.94 122.45 1dp0 s ASN 294 Ca -0.09 1.20 -0.00 0.00 -0.71 0.00 0.00 52.86 53.25 1dp0 s ASN 294 Cb -0.16 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.18 1dp0 s ASN 294 CO 0.05 0.23 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.12 1dp0 s VAL 295 N -0.82 0.82 0.02 1.60 1.01 -0.24 -4.88 120.40 117.90 1dp0 s VAL 295 Ca 0.29 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1dp0 s VAL 295 Cb -0.19 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 1dp0 s VAL 295 CO 0.18 0.32 0.56 -1.61 0.00 0.00 0.00 175.10 174.55 1dp0 s GLU 296 N 1.59 4.23 -1.26 2.72 0.41 -1.26 -1.14 118.70 123.99 1dp0 s GLU 296 Ca 0.01 0.68 -0.17 0.00 -0.41 0.00 0.00 54.97 55.08 1dp0 s GLU 296 Cb -0.13 -3.30 0.01 0.00 -1.78 0.00 0.00 34.13 28.93 1dp0 s GLU 296 CO -0.05 0.49 0.60 0.09 -0.49 0.00 0.00 175.26 175.90 1dp0 n ASN 297 N 2.31 -3.19 -4.75 -0.19 4.13 0.25 -4.87 115.26 108.95 1dp0 n ASN 297 Ca -0.09 -1.11 -0.38 0.00 1.68 0.00 0.00 54.58 54.68 1dp0 n ASN 297 Cb 0.51 -2.71 0.04 0.00 -1.54 0.00 0.00 39.78 36.08 1dp0 n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1dp0 s PRO 298 N -6.62 3.07 -0.26 3.52 0.04 -1.26 -4.94 135.00 128.56 1dp0 s PRO 298 Ca 0.32 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1dp0 s PRO 298 Cb -0.14 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1dp0 s PRO 298 CO 0.91 -1.20 1.09 0.15 0.04 0.00 0.00 177.00 177.99 1dp0 s LYS 299 N -3.03 4.18 0.36 4.56 1.02 -1.26 -5.00 119.74 120.56 1dp0 s LYS 299 Ca 0.74 1.29 -0.16 0.00 0.02 0.00 0.00 55.97 57.85 1dp0 s LYS 299 Cb -0.37 -3.70 -0.09 0.00 -0.52 0.00 0.00 37.83 33.15 1dp0 s LYS 299 CO 0.43 -0.75 0.80 -0.51 -0.92 0.00 0.00 175.35 174.39 1dp0 s LEU 300 N 3.44 4.00 0.06 3.17 1.43 -1.26 -4.50 118.68 125.02 1dp0 s LEU 300 Ca 0.46 1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 54.85 1dp0 s LEU 300 Cb -0.15 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1dp0 s LEU 300 CO 0.11 -0.27 0.37 0.86 0.23 0.00 0.00 176.35 177.65 1dp0 s TRP 301 N -2.08 3.59 0.31 0.29 -0.00 0.04 -4.02 118.94 117.07 1dp0 s TRP 301 Ca 0.56 0.76 -0.16 0.00 -0.00 0.00 0.00 56.10 57.26 1dp0 s TRP 301 Cb -0.10 -2.13 0.03 0.00 -0.00 0.00 0.00 33.47 31.26 1dp0 s TRP 301 CO 0.18 0.55 0.68 -1.54 -0.00 0.00 0.00 176.95 176.81 1dp0 s SER 302 N -1.69 -0.06 0.43 5.86 1.04 -0.84 -4.68 113.70 113.76 1dp0 s SER 302 Ca 0.31 -0.90 0.21 0.00 0.48 0.00 0.00 55.95 56.05 1dp0 s SER 302 Cb -0.14 0.74 0.94 0.00 0.10 0.00 0.00 66.02 67.66 1dp0 s SER 302 CO 0.17 -1.42 1.85 0.00 0.98 0.00 0.00 173.24 174.83 1dp0 h ALA 303 N 2.05 1.13 -0.19 5.32 0.00 -1.90 -2.46 119.26 123.21 1dp0 h ALA 303 Ca -0.25 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1dp0 h ALA 303 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dp0 h ALA 303 CO 0.32 0.34 -0.29 0.93 0.00 0.00 0.00 179.25 180.56 1dp0 h GLU 304 N 0.00 0.53 -2.86 0.00 5.08 -1.93 -3.41 114.58 111.98 1dp0 h GLU 304 Ca -0.00 -0.32 -0.57 0.00 -1.00 0.00 0.00 59.36 57.48 1dp0 h GLU 304 Cb 0.68 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.57 1dp0 h GLU 304 CO 0.04 0.91 -0.80 0.42 -1.00 0.00 0.00 179.01 178.58 1dp0 s ILE 305 N -4.15 0.34 -1.57 3.13 1.01 -1.12 -5.01 121.20 113.82 1dp0 s ILE 305 Ca -0.13 -1.42 -0.11 0.00 0.00 0.00 0.00 60.65 58.99 1dp0 s ILE 305 Cb 0.07 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1dp0 s ILE 305 CO 0.80 -0.84 2.74 -0.81 0.00 0.00 0.00 174.94 176.84 1dp0 n PRO 306 N 4.54 3.53 -1.81 2.79 -0.04 -0.94 -1.98 135.00 141.09 1dp0 n PRO 306 Ca 0.03 -2.38 -0.42 0.00 -0.04 0.00 0.00 63.50 60.69 1dp0 n PRO 306 Cb 0.39 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 1dp0 n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dp0 s ASN 307 N 2.33 6.46 0.07 3.54 0.01 -1.26 -4.89 114.94 121.20 1dp0 s ASN 307 Ca 0.63 2.77 0.05 0.00 -0.71 0.00 0.00 52.86 55.60 1dp0 s ASN 307 Cb 0.17 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1dp0 s ASN 307 CO -0.07 -0.91 -0.14 -0.76 -1.51 0.00 0.00 177.10 173.71 1dp0 s LEU 308 N 1.12 2.26 0.42 0.60 1.43 -1.26 -4.14 118.68 119.12 1dp0 s LEU 308 Ca 0.73 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1dp0 s LEU 308 Cb -0.47 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 1dp0 s LEU 308 CO 0.32 -0.07 0.18 -0.31 0.23 0.00 0.00 176.35 176.69 1dp0 s TYR 309 N -1.23 2.57 -0.14 0.29 1.51 0.34 -4.75 117.35 115.94 1dp0 s TYR 309 Ca -0.02 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1dp0 s TYR 309 Cb -0.10 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1dp0 s TYR 309 CO 0.02 0.18 -0.20 0.50 -1.11 0.00 0.00 175.55 174.94 1dp0 s ARG 310 N -3.91 3.08 -0.16 -0.62 6.06 0.13 -0.27 118.95 123.26 1dp0 s ARG 310 Ca 0.40 -0.83 -0.06 0.00 -2.50 0.00 0.00 55.73 52.74 1dp0 s ARG 310 Cb 0.04 -2.47 -0.04 0.00 0.06 0.00 0.00 34.95 32.54 1dp0 s ARG 310 CO 0.22 0.02 0.04 0.00 -2.50 0.00 0.00 175.30 173.08 1dp0 s ALA 311 N 0.75 3.35 -0.14 6.12 0.00 -0.51 -0.48 121.76 130.86 1dp0 s ALA 311 Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1dp0 s ALA 311 Cb -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1dp0 s ALA 311 CO -0.00 0.27 -0.12 0.08 0.00 0.00 0.00 175.76 175.98 1dp0 s VAL 312 N 0.12 3.03 -0.38 0.00 1.01 -0.38 -1.80 120.40 122.00 1dp0 s VAL 312 Ca 0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1dp0 s VAL 312 Cb -0.12 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.05 1dp0 s VAL 312 CO 0.01 0.51 0.18 -0.69 0.00 0.00 0.00 175.10 175.11 1dp0 s VAL 313 N 0.55 3.72 -0.21 2.92 1.01 0.52 -1.76 120.40 127.15 1dp0 s VAL 313 Ca -0.08 -1.52 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 1dp0 s VAL 313 Cb -0.16 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1dp0 s VAL 313 CO 0.04 -0.44 0.11 -1.61 0.00 0.00 0.00 175.10 173.20 1dp0 s GLU 314 N 1.32 4.03 -0.26 2.72 2.02 -0.25 -1.15 118.70 127.13 1dp0 s GLU 314 Ca 0.02 -0.30 -0.12 0.00 0.02 0.00 0.00 54.97 54.59 1dp0 s GLU 314 Cb -0.22 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 1dp0 s GLU 314 CO 0.00 0.17 0.24 -1.17 0.02 0.00 0.00 175.26 174.52 1dp0 s LEU 315 N 0.71 4.06 0.27 1.80 2.96 -0.33 -1.06 118.68 127.09 1dp0 s LEU 315 Ca 0.06 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.93 1dp0 s LEU 315 Cb -0.13 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1dp0 s LEU 315 CO 0.02 -0.05 0.60 -1.38 -1.32 0.00 0.00 176.35 174.22 1dp0 s HIS 316 N 1.61 0.10 0.48 5.38 -3.43 0.05 -0.72 115.29 118.77 1dp0 s HIS 316 Ca 0.10 -0.51 -0.12 0.00 -0.80 0.00 0.00 55.06 53.72 1dp0 s HIS 316 Cb -0.15 0.45 -0.06 0.00 -1.43 0.00 0.00 32.58 31.39 1dp0 s HIS 316 CO 0.09 -1.13 0.88 0.95 -2.00 0.00 0.00 174.74 173.54 1dp0 s THR 317 N -3.93 4.70 0.41 -5.38 -4.23 0.31 -0.75 115.64 106.76 1dp0 s THR 317 Ca 0.17 0.83 0.08 0.00 -1.18 0.00 0.00 61.69 61.58 1dp0 s THR 317 Cb -0.03 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.29 1dp0 s THR 317 CO 0.08 -0.70 2.04 0.00 -0.54 0.00 0.00 174.62 175.50 1dp0 h ALA 318 N 0.82 1.68 0.00 3.99 0.00 -1.02 -1.30 119.26 123.43 1dp0 h ALA 318 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1dp0 h ALA 318 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1dp0 h ALA 318 CO 0.63 0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.90 1dp0 n ASP 319 N -4.44 0.00 0.00 0.00 8.00 -1.26 -4.88 116.55 113.97 1dp0 n ASP 319 Ca 0.02 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1dp0 n ASP 319 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1dp0 n ASP 319 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dp0 n GLY 320 N 0.57 0.97 3.62 0.44 0.00 -0.49 -5.09 105.19 105.21 1dp0 n GLY 320 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1dp0 n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dp0 s THR 321 N -2.00 5.00 -0.03 2.61 2.01 -1.25 -4.86 115.64 117.12 1dp0 s THR 321 Ca 0.00 1.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1dp0 s THR 321 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1dp0 s THR 321 CO 0.00 0.02 1.18 -0.22 -0.69 0.00 0.00 174.62 174.92 1dp0 s LEU 322 N 2.48 4.30 -0.11 4.42 2.96 -1.26 -0.53 118.68 130.93 1dp0 s LEU 322 Ca 0.25 1.84 -0.05 0.00 -0.22 0.00 0.00 54.13 55.96 1dp0 s LEU 322 Cb -0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1dp0 s LEU 322 CO 0.09 -0.54 0.02 0.40 -1.32 0.00 0.00 176.35 175.01 1dp0 h ILE 323 N 4.89 0.15 -2.96 6.68 2.04 -1.28 -3.49 117.51 123.56 1dp0 h ILE 323 Ca -0.36 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.39 1dp0 h ILE 323 Cb 1.18 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 37.47 1dp0 h ILE 323 CO 0.86 0.05 0.23 -1.83 0.00 0.00 0.00 178.15 177.46 1dp0 s GLU 324 N -1.77 1.44 0.01 2.37 -1.05 -1.16 -4.85 118.70 113.69 1dp0 s GLU 324 Ca -0.05 -0.65 0.04 0.00 -0.15 0.00 0.00 54.97 54.15 1dp0 s GLU 324 Cb 0.00 0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1dp0 s GLU 324 CO 0.11 -0.64 -0.11 0.00 0.95 0.00 0.00 175.26 175.57 1dp0 s ALA 325 N -3.77 0.92 0.42 -0.84 0.00 0.55 -1.19 121.76 117.84 1dp0 s ALA 325 Ca 0.05 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1dp0 s ALA 325 Cb -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.86 1dp0 s ALA 325 CO -0.05 0.19 0.03 -1.21 0.00 0.00 0.00 175.76 174.71 1dp0 s GLU 326 N -0.70 1.95 0.08 0.00 0.41 -0.30 -1.79 118.70 118.35 1dp0 s GLU 326 Ca 0.02 -2.14 -0.27 0.00 -0.41 0.00 0.00 54.97 52.16 1dp0 s GLU 326 Cb -0.06 -1.40 0.08 0.00 -1.78 0.00 0.00 34.13 30.97 1dp0 s GLU 326 CO 0.00 -0.17 1.01 0.00 -0.49 0.00 0.00 175.26 175.61 1dp0 s ALA 327 N -2.89 -1.80 0.21 5.21 0.00 -1.26 -0.36 121.76 120.87 1dp0 s ALA 327 Ca 0.28 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 1dp0 s ALA 327 Cb 0.07 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.74 1dp0 s ALA 327 CO 0.14 -0.95 0.59 0.00 0.00 0.00 0.00 175.76 175.54 1dp0 s ASP 329 N -2.87 7.41 -0.07 0.00 1.01 -1.26 -1.42 116.67 119.47 1dp0 s ASP 329 Ca 0.08 1.67 0.05 0.00 0.71 0.00 0.00 52.55 55.06 1dp0 s ASP 329 Cb -0.02 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1dp0 s ASP 329 CO -0.02 0.17 -0.23 -0.69 0.21 0.00 0.00 175.17 174.62 1dp0 s VAL 330 N -0.98 2.26 -0.23 -1.27 1.01 0.63 -4.68 120.40 117.14 1dp0 s VAL 330 Ca 0.37 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1dp0 s VAL 330 Cb -0.23 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1dp0 s VAL 330 CO 0.27 0.57 -0.09 -0.83 0.00 0.00 0.00 175.10 175.01 1dp0 s GLY 331 N -0.06 1.58 -0.48 4.51 0.00 -1.26 -0.50 107.32 111.10 1dp0 s GLY 331 Ca -0.06 -1.39 -0.28 0.00 0.00 0.00 0.00 44.72 42.99 1dp0 s GLY 331 CO 0.05 0.47 1.39 -1.36 0.00 0.00 0.00 173.10 173.64 1dp0 s PHE 332 N 1.33 2.39 -0.01 1.90 0.40 -1.26 -4.80 117.98 117.92 1dp0 s PHE 332 Ca 0.01 0.60 -0.25 0.00 -0.60 0.00 0.00 56.93 56.69 1dp0 s PHE 332 Cb -0.16 -4.36 0.05 0.00 0.51 0.00 0.00 43.02 39.07 1dp0 s PHE 332 CO -0.06 -1.91 0.54 -0.98 0.70 0.00 0.00 175.22 173.51 1dp0 s ARG 333 N 5.14 0.96 -0.08 0.44 3.03 -1.26 -0.78 118.95 126.40 1dp0 s ARG 333 Ca 0.56 0.00 0.04 0.00 2.03 0.00 0.00 55.73 58.36 1dp0 s ARG 333 Cb -0.12 0.44 -0.02 0.00 -1.03 0.00 0.00 34.95 34.23 1dp0 s ARG 333 CO 0.29 -0.31 -0.18 -2.00 -1.13 0.00 0.00 175.30 171.97 1dp0 s GLU 334 N -1.60 2.79 -0.15 3.89 2.12 -1.26 -4.85 118.70 119.64 1dp0 s GLU 334 Ca -0.10 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.46 1dp0 s GLU 334 Cb -0.01 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.01 1dp0 s GLU 334 CO 0.05 0.40 -0.17 0.08 -0.54 0.00 0.00 175.26 175.09 1dp0 s VAL 335 N -0.18 2.52 0.03 3.70 1.01 -1.26 -0.94 120.40 125.28 1dp0 s VAL 335 Ca -0.01 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1dp0 s VAL 335 Cb -0.13 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1dp0 s VAL 335 CO 0.03 0.52 0.53 0.00 0.00 0.00 0.00 175.10 176.19 1dp0 s ARG 336 N 0.77 1.02 -0.18 2.72 1.70 -0.52 -4.63 118.95 119.83 1dp0 s ARG 336 Ca -0.07 -0.18 -0.04 0.00 -0.47 0.00 0.00 55.73 54.98 1dp0 s ARG 336 Cb -0.15 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1dp0 s ARG 336 CO 0.00 -0.36 -0.04 0.42 -1.08 0.00 0.00 175.30 174.24 1dp0 s ILE 337 N -2.27 3.65 -0.05 4.99 1.01 -1.26 -0.21 121.20 127.06 1dp0 s ILE 337 Ca -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1dp0 s ILE 337 Cb -0.01 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.88 1dp0 s ILE 337 CO -0.00 0.46 0.10 -0.70 0.00 0.00 0.00 174.94 174.80 1dp0 s GLU 338 N 0.81 0.04 -1.54 2.79 2.12 0.30 -4.82 118.70 118.39 1dp0 s GLU 338 Ca -0.01 0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.62 1dp0 s GLU 338 Cb -0.15 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.03 1dp0 s GLU 338 CO 0.02 -0.18 0.20 -1.71 -0.54 0.00 0.00 175.26 173.05 1dp0 n ASN 339 N 4.32 -5.40 0.00 -1.70 5.15 -1.26 -1.73 115.26 114.64 1dp0 n ASN 339 Ca -0.25 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1dp0 n ASN 339 Cb 0.51 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.29 1dp0 n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dp0 n GLY 340 N -1.12 0.73 3.34 8.20 0.00 -1.26 -5.05 105.19 110.03 1dp0 n GLY 340 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1dp0 n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 341 N 0.00 2.16 -0.25 0.99 1.43 -0.71 -2.33 118.68 119.97 1dp0 s LEU 341 Ca 0.00 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 1dp0 s LEU 341 Cb 0.00 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1dp0 s LEU 341 CO 0.00 0.26 0.72 -0.22 0.23 0.00 0.00 176.35 177.34 1dp0 s LEU 342 N -1.21 4.07 0.05 1.79 2.96 -1.26 -0.54 118.68 124.54 1dp0 s LEU 342 Ca 0.11 0.84 0.07 0.00 -0.22 0.00 0.00 54.13 54.93 1dp0 s LEU 342 Cb -0.10 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1dp0 s LEU 342 CO 0.02 -0.44 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.67 1dp0 s LEU 343 N 2.67 2.67 -0.15 -0.68 1.43 0.71 -2.27 118.68 123.05 1dp0 s LEU 343 Ca 0.30 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1dp0 s LEU 343 Cb -0.15 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1dp0 s LEU 343 CO 0.08 0.25 -0.18 -0.22 0.23 0.00 0.00 176.35 176.51 1dp0 s LEU 344 N -1.52 1.91 -1.49 1.79 2.96 0.47 -1.44 118.68 121.36 1dp0 s LEU 344 Ca 0.15 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 1dp0 s LEU 344 Cb -0.11 -1.32 0.09 0.00 0.50 0.00 0.00 46.19 45.36 1dp0 s LEU 344 CO 0.06 -0.01 0.76 0.59 -1.32 0.00 0.00 176.35 176.43 1dp0 n ASN 345 N 4.55 -4.28 0.00 3.68 3.02 -0.12 -1.40 115.26 120.71 1dp0 n ASN 345 Ca -0.19 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1dp0 n ASN 345 Cb 0.50 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 1dp0 n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dp0 n GLY 346 N -1.45 1.16 3.41 7.41 0.00 -1.26 -5.02 105.19 109.43 1dp0 n GLY 346 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1dp0 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dp0 s LYS 347 N -0.15 1.46 -0.08 1.61 -0.14 -0.50 -5.00 119.74 116.95 1dp0 s LYS 347 Ca 0.00 -1.35 -0.30 0.00 -1.36 0.00 0.00 55.97 52.97 1dp0 s LYS 347 Cb 0.00 -1.92 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 1dp0 s LYS 347 CO 0.00 0.45 1.22 -1.25 -0.76 0.00 0.00 175.35 175.01 1dp0 s PRO 348 N -2.13 4.32 0.67 -1.68 0.04 -1.26 -0.40 135.00 134.57 1dp0 s PRO 348 Ca 0.15 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1dp0 s PRO 348 Cb -0.10 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 1dp0 s PRO 348 CO 0.07 -0.51 1.06 -0.51 0.04 0.00 0.00 177.00 177.15 1dp0 s LEU 349 N 2.48 3.07 -0.25 -3.56 1.43 -0.96 -4.93 118.68 115.96 1dp0 s LEU 349 Ca 0.56 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1dp0 s LEU 349 Cb -0.24 -4.30 0.08 0.00 0.03 0.00 0.00 46.19 41.75 1dp0 s LEU 349 CO 0.21 -1.22 0.04 -0.22 0.23 0.00 0.00 176.35 175.39 1dp0 s LEU 350 N -5.36 2.06 -0.40 1.79 2.96 -1.26 -4.79 118.68 113.68 1dp0 s LEU 350 Ca 0.57 -1.26 -0.29 0.00 -0.22 0.00 0.00 54.13 52.93 1dp0 s LEU 350 Cb -0.12 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.71 1dp0 s LEU 350 CO 0.54 -0.33 1.11 -0.63 -1.32 0.00 0.00 176.35 175.72 1dp0 s ILE 351 N 1.62 4.35 -1.03 6.68 -1.09 0.95 -4.94 121.20 127.73 1dp0 s ILE 351 Ca 0.02 1.48 -0.07 0.00 -2.23 0.00 0.00 60.65 59.85 1dp0 s ILE 351 Cb -0.18 -4.50 0.26 0.00 -1.58 0.00 0.00 42.46 36.46 1dp0 s ILE 351 CO -0.14 -0.74 0.99 -0.13 -1.23 0.00 0.00 174.94 173.69 1dp0 s ARG 352 N 4.06 3.87 0.43 2.79 0.52 -1.26 -1.90 118.95 127.47 1dp0 s ARG 352 Ca 0.47 -3.21 0.08 0.00 -0.52 0.00 0.00 55.73 52.54 1dp0 s ARG 352 Cb -0.10 -4.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.01 1dp0 s ARG 352 CO 0.24 -1.25 0.38 0.20 0.02 0.00 0.00 175.30 174.89 1dp0 s GLY 353 N 0.86 2.16 -0.04 -3.53 0.00 -0.19 -0.42 107.32 106.17 1dp0 s GLY 353 Ca 0.29 -1.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.02 1dp0 s GLY 353 CO -0.09 -1.73 0.30 0.54 0.00 0.00 0.00 173.10 172.11 1dp0 s VAL 354 N -2.51 0.05 0.06 1.40 0.11 -0.75 -1.22 120.40 117.53 1dp0 s VAL 354 Ca 0.47 -0.38 -0.23 0.00 -2.93 0.00 0.00 61.98 58.91 1dp0 s VAL 354 Cb -0.03 -0.56 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 1dp0 s VAL 354 CO 0.27 -0.21 0.68 0.20 -3.33 0.00 0.00 175.10 172.72 1dp0 s ASN 355 N -0.98 7.15 -0.07 3.54 0.01 0.39 -1.58 114.94 123.41 1dp0 s ASN 355 Ca -0.10 1.37 0.00 0.00 -0.71 0.00 0.00 52.86 53.42 1dp0 s ASN 355 Cb -0.05 -2.43 0.02 0.00 0.41 0.00 0.00 41.25 39.21 1dp0 s ASN 355 CO 0.03 0.13 -0.04 -0.60 -1.51 0.00 0.00 177.10 175.11 1dp0 s ARG 356 N -0.51 0.95 0.56 -0.60 3.52 -0.84 -0.40 118.95 121.63 1dp0 s ARG 356 Ca 0.34 -0.09 -0.06 0.00 -0.13 0.00 0.00 55.73 55.80 1dp0 s ARG 356 Cb -0.20 -1.06 -0.00 0.00 -1.56 0.00 0.00 34.95 32.13 1dp0 s ARG 356 CO 0.21 -0.18 0.87 -1.01 -0.81 0.00 0.00 175.30 174.39 1dp0 s HIS 357 N 1.37 3.31 -0.51 5.12 3.76 -1.26 -3.87 115.29 123.22 1dp0 s HIS 357 Ca -0.03 0.66 -0.18 0.00 -0.15 0.00 0.00 55.06 55.36 1dp0 s HIS 357 Cb -0.13 -2.64 0.07 0.00 1.11 0.00 0.00 32.58 30.99 1dp0 s HIS 357 CO -0.03 -0.70 0.58 -1.21 -0.85 0.00 0.00 174.74 172.53 1dp0 s GLU 358 N -4.93 3.07 -0.05 1.40 2.02 -1.26 -4.95 118.70 114.00 1dp0 s GLU 358 Ca 0.52 -1.09 -0.04 0.00 0.02 0.00 0.00 54.97 54.38 1dp0 s GLU 358 Cb -0.10 -4.14 0.02 0.00 0.10 0.00 0.00 34.13 30.00 1dp0 s GLU 358 CO 0.45 -1.24 0.14 -1.58 0.02 0.00 0.00 175.26 173.05 1dp0 s HIS 359 N 2.39 -0.15 -0.02 1.61 2.46 -1.26 -4.54 115.29 115.77 1dp0 s HIS 359 Ca 0.12 0.39 0.01 0.00 0.47 0.00 0.00 55.06 56.05 1dp0 s HIS 359 Cb -0.21 0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.28 1dp0 s HIS 359 CO 0.10 -0.09 -0.02 -1.58 -2.47 0.00 0.00 174.74 170.67 1dp0 s HIS 360 N 0.31 0.41 0.38 3.88 5.04 -0.04 -5.00 115.29 120.27 1dp0 s HIS 360 Ca -0.02 -0.06 0.27 0.00 -1.54 0.00 0.00 55.06 53.71 1dp0 s HIS 360 Cb -0.03 -0.40 1.37 0.00 0.04 0.00 0.00 32.58 33.56 1dp0 s HIS 360 CO -0.01 -0.10 2.04 -1.00 -2.34 0.00 0.00 174.74 173.32 1dp0 h PRO 361 N 6.85 0.00 0.00 2.88 0.13 -1.79 0.09 132.00 140.15 1dp0 h PRO 361 Ca -0.37 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.38 1dp0 h PRO 361 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1dp0 h PRO 361 CO 0.49 0.14 -2.42 1.28 -0.23 0.00 0.00 178.00 177.26 1dp0 n LEU 362 N -3.63 2.77 -1.04 1.56 4.77 -1.26 -1.54 117.00 118.64 1dp0 n LEU 362 Ca -0.02 -0.13 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 1dp0 n LEU 362 Cb 0.26 -0.78 0.23 0.00 -2.33 0.00 0.00 43.42 40.81 1dp0 n LEU 362 CO 0.31 0.89 0.71 1.41 -1.33 0.00 0.00 177.39 179.38 1dp0 n HIS 363 N -3.20 0.41 0.00 -1.77 8.25 -1.22 -4.94 115.22 112.75 1dp0 n HIS 363 Ca -0.43 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1dp0 n HIS 363 Cb 0.98 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.09 1dp0 n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dp0 n GLY 364 N 1.43 2.73 1.12 -1.41 0.00 0.02 -2.95 105.19 106.13 1dp0 n GLY 364 Ca 0.18 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1dp0 n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dp0 n GLN 365 N 9.45 2.97 -2.68 1.61 6.02 -1.26 -0.86 117.38 132.63 1dp0 n GLN 365 Ca 0.00 -2.50 -0.42 0.00 -0.01 0.00 0.00 57.00 54.07 1dp0 n GLN 365 Cb 0.00 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.70 1dp0 n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dp0 s VAL 366 N -1.25 4.78 0.11 5.09 1.01 -1.15 -4.85 120.40 124.14 1dp0 s VAL 366 Ca 0.40 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.43 1dp0 s VAL 366 Cb 0.23 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1dp0 s VAL 366 CO 0.24 0.11 0.04 -0.04 0.00 0.00 0.00 175.10 175.45 1dp0 s MET 367 N 1.30 2.65 0.07 2.72 -1.94 -1.26 -4.71 119.30 118.12 1dp0 s MET 367 Ca 0.52 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1dp0 s MET 367 Cb -0.21 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 1dp0 s MET 367 CO 0.25 0.53 -0.05 0.16 -0.01 0.00 0.00 175.02 175.90 1dp0 s ASP 368 N -2.52 0.81 0.25 3.03 1.47 -1.26 -5.04 116.67 113.40 1dp0 s ASP 368 Ca 0.27 -0.93 -0.04 0.00 1.18 0.00 0.00 52.55 53.03 1dp0 s ASP 368 Cb -0.11 0.13 0.37 0.00 -0.34 0.00 0.00 42.92 42.97 1dp0 s ASP 368 CO 0.20 -0.48 1.84 -0.08 0.68 0.00 0.00 175.17 177.32 1dp0 h GLU 369 N 3.28 0.89 -0.40 2.11 4.81 -1.99 -1.80 114.58 121.47 1dp0 h GLU 369 Ca -0.35 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1dp0 h GLU 369 Cb 1.16 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1dp0 h GLU 369 CO 0.62 0.59 0.22 1.96 -0.73 0.00 0.00 179.01 181.66 1dp0 h GLN 370 N 0.91 0.56 -0.55 1.92 4.20 -1.99 0.18 115.11 120.35 1dp0 h GLN 370 Ca 0.39 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 1dp0 h GLN 370 Cb 0.26 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1dp0 h GLN 370 CO -0.21 0.45 0.10 1.15 -0.67 0.00 0.00 178.83 179.66 1dp0 h THR 371 N 0.52 1.25 -0.30 -0.54 2.02 -1.90 0.39 112.91 114.35 1dp0 h THR 371 Ca 0.14 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1dp0 h THR 371 Cb 0.06 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1dp0 h THR 371 CO -0.02 0.34 0.18 0.24 0.37 0.00 0.00 175.52 176.63 1dp0 h MET 372 N 0.80 0.41 -0.56 6.66 2.86 -0.90 0.03 114.93 124.24 1dp0 h MET 372 Ca 0.17 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1dp0 h MET 372 Cb 0.40 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1dp0 h MET 372 CO 0.01 0.32 0.35 0.28 1.06 0.00 0.00 176.91 178.93 1dp0 h VAL 373 N 0.39 1.10 -0.76 -2.22 2.07 -0.76 0.63 116.25 116.70 1dp0 h VAL 373 Ca 0.11 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1dp0 h VAL 373 Cb 0.02 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1dp0 h VAL 373 CO -0.02 0.13 0.49 -0.61 0.02 0.00 0.00 177.57 177.58 1dp0 h GLN 374 N 0.71 0.95 -0.30 1.57 4.15 -0.56 0.21 115.11 121.84 1dp0 h GLN 374 Ca 0.22 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1dp0 h GLN 374 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1dp0 h GLN 374 CO -0.07 0.63 0.02 -0.44 -1.93 0.00 0.00 178.83 177.03 1dp0 h ASP 375 N 0.98 0.50 -0.79 -0.69 3.32 -0.33 -2.03 116.42 117.38 1dp0 h ASP 375 Ca 0.29 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1dp0 h ASP 375 Cb -0.06 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1dp0 h ASP 375 CO -0.08 0.67 0.37 0.40 -1.72 0.00 0.00 179.24 178.87 1dp0 h ILE 376 N 0.32 1.25 -0.04 0.35 2.04 -0.35 -0.36 117.51 120.72 1dp0 h ILE 376 Ca 0.09 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1dp0 h ILE 376 Cb 0.40 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1dp0 h ILE 376 CO 0.01 0.31 0.02 -0.07 0.00 0.00 0.00 178.15 178.42 1dp0 h LEU 377 N 1.13 0.04 -1.35 1.44 3.38 -0.51 -1.31 115.31 118.13 1dp0 h LEU 377 Ca 0.27 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1dp0 h LEU 377 Cb 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1dp0 h LEU 377 CO -0.03 0.05 0.19 -0.07 0.09 0.00 0.00 178.44 178.67 1dp0 h LEU 378 N 0.03 0.58 0.02 1.67 3.38 -1.16 0.20 115.31 120.03 1dp0 h LEU 378 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dp0 h LEU 378 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1dp0 h LEU 378 CO -0.00 0.51 -0.01 0.24 0.09 0.00 0.00 178.44 179.27 1dp0 h MET 379 N 0.64 -0.02 -0.68 1.13 2.86 -0.63 -1.72 114.93 116.51 1dp0 h MET 379 Ca 0.16 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1dp0 h MET 379 Cb 0.11 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1dp0 h MET 379 CO -0.02 0.08 0.15 0.87 1.06 0.00 0.00 176.91 179.05 1dp0 h LYS 380 N -0.12 1.09 0.00 1.72 1.57 -1.01 -1.29 116.57 118.53 1dp0 h LYS 380 Ca -0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1dp0 h LYS 380 Cb 0.11 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1dp0 h LYS 380 CO 0.00 0.98 0.00 1.96 -0.57 0.00 0.00 179.45 181.82 1dp0 h GLN 381 N 1.02 0.00 -0.42 3.15 4.20 -0.42 -1.61 115.11 121.03 1dp0 h GLN 381 Ca 0.21 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 1dp0 h GLN 381 Cb 0.39 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 1dp0 h GLN 381 CO 0.00 0.00 0.06 0.09 -0.67 0.00 0.00 178.83 178.31 1dp0 n ASN 382 N -2.84 3.92 -1.68 1.46 3.02 -0.59 -4.96 115.26 113.59 1dp0 n ASN 382 Ca -0.02 -3.23 -0.16 0.00 -0.03 0.00 0.00 54.58 51.14 1dp0 n ASN 382 Cb 0.12 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1dp0 n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dp0 n ASN 383 N -0.51 -4.77 -4.84 6.41 3.02 -0.61 -3.80 115.26 110.17 1dp0 n ASN 383 Ca 0.29 0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.57 1dp0 n ASN 383 Cb 1.07 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 36.34 1dp0 n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1dp0 s PHE 384 N -2.75 3.59 0.00 3.10 0.40 -0.63 -4.84 117.98 116.86 1dp0 s PHE 384 Ca 0.00 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1dp0 s PHE 384 Cb 0.00 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 41.07 1dp0 s PHE 384 CO 0.00 0.36 0.64 0.27 0.70 0.00 0.00 175.22 177.19 1dp0 n ASN 385 N 0.63 1.21 -3.65 1.36 0.23 0.43 -4.29 115.26 111.19 1dp0 n ASN 385 Ca -0.03 -1.37 -0.14 0.00 -0.53 0.00 0.00 54.58 52.51 1dp0 n ASN 385 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 1dp0 n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dp0 s ALA 386 N -0.37 -1.14 -0.02 -2.53 0.00 -1.06 -0.84 121.76 115.80 1dp0 s ALA 386 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 1dp0 s ALA 386 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1dp0 s ALA 386 CO 0.00 -0.40 0.04 0.54 0.00 0.00 0.00 175.76 175.95 1dp0 s VAL 387 N -1.94 -0.00 -0.14 0.00 0.11 0.06 -1.81 120.40 116.68 1dp0 s VAL 387 Ca -0.08 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1dp0 s VAL 387 Cb -0.02 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 1dp0 s VAL 387 CO 0.02 0.01 0.01 -0.60 -3.33 0.00 0.00 175.10 171.21 1dp0 s ARG 388 N 0.11 3.53 -1.40 1.54 3.52 -0.61 -1.43 118.95 124.19 1dp0 s ARG 388 Ca -0.01 -0.41 -0.15 0.00 -0.13 0.00 0.00 55.73 55.03 1dp0 s ARG 388 Cb -0.01 -2.98 0.03 0.00 -1.56 0.00 0.00 34.95 30.43 1dp0 s ARG 388 CO -0.00 0.43 2.19 0.00 -0.81 0.00 0.00 175.30 177.10 1dp0 s SER 390 N 3.38 6.84 -0.45 0.00 1.04 -1.25 -1.17 113.70 122.10 1dp0 s SER 390 Ca 0.48 1.93 0.08 0.00 0.48 0.00 0.00 55.95 58.93 1dp0 s SER 390 Cb 0.14 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 64.01 1dp0 s SER 390 CO -0.07 -0.80 0.68 1.41 0.98 0.00 0.00 173.24 175.44 1dp0 n HIS 391 N 6.57 1.06 -3.63 5.02 -0.00 -1.26 -4.27 115.22 118.71 1dp0 n HIS 391 Ca 0.15 -3.80 -0.03 0.00 -0.00 0.00 0.00 57.72 54.04 1dp0 n HIS 391 Cb 0.44 -0.42 -0.02 0.00 -0.00 0.00 0.00 29.99 29.99 1dp0 n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1dp0 s TYR 392 N -2.07 -0.05 0.51 4.41 -0.85 -0.31 -4.27 117.35 114.71 1dp0 s TYR 392 Ca 0.39 0.03 -0.23 0.00 -0.52 0.00 0.00 57.07 56.74 1dp0 s TYR 392 Cb 0.23 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 43.02 1dp0 s TYR 392 CO -0.09 -0.09 1.39 -2.14 -1.52 0.00 0.00 175.55 173.10 1dp0 s PRO 393 N -2.18 3.37 0.55 -3.49 0.02 -0.65 -4.57 135.00 128.06 1dp0 s PRO 393 Ca 0.11 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.46 1dp0 s PRO 393 Cb -0.01 -2.42 0.04 0.00 0.02 0.00 0.00 34.50 32.13 1dp0 s PRO 393 CO -0.03 -1.03 0.77 -0.80 -0.33 0.00 0.00 177.00 175.58 1dp0 s ASN 394 N -0.77 5.21 0.35 2.53 0.02 -1.26 -4.85 114.94 116.17 1dp0 s ASN 394 Ca 0.67 -0.15 -0.27 0.00 -1.02 0.00 0.00 52.86 52.09 1dp0 s ASN 394 Cb -0.42 -0.69 -0.12 0.00 0.02 0.00 0.00 41.25 40.04 1dp0 s ASN 394 CO 0.51 -1.18 1.19 1.57 0.02 0.00 0.00 177.10 179.21 1dp0 n HIS 395 N -2.33 1.90 -0.09 2.20 -0.00 -1.26 -4.86 115.22 110.78 1dp0 n HIS 395 Ca 0.09 0.58 0.10 0.00 -0.00 0.00 0.00 57.72 58.49 1dp0 n HIS 395 Cb 0.60 -2.35 0.47 0.00 -0.00 0.00 0.00 29.99 28.71 1dp0 n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1dp0 h PRO 396 N 2.23 0.46 0.00 1.57 0.13 -1.96 -1.68 132.00 132.75 1dp0 h PRO 396 Ca -0.45 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1dp0 h PRO 396 Cb 1.30 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1dp0 h PRO 396 CO 0.61 0.31 -0.09 1.25 -0.23 0.00 0.00 178.00 179.84 1dp0 h LEU 397 N 0.48 0.00 -0.75 1.56 5.85 -2.01 -3.00 115.31 117.44 1dp0 h LEU 397 Ca 0.27 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1dp0 h LEU 397 Cb 0.45 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1dp0 h LEU 397 CO -0.08 0.09 0.42 -0.25 -0.34 0.00 0.00 178.44 178.28 1dp0 h TRP 398 N 0.00 0.76 -0.61 1.25 2.91 -1.65 -1.43 115.95 117.18 1dp0 h TRP 398 Ca -0.00 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 1dp0 h TRP 398 Cb 0.27 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1dp0 h TRP 398 CO 0.00 0.33 0.14 1.88 -1.03 0.00 0.00 178.44 179.76 1dp0 h TYR 399 N 0.73 1.03 -0.27 2.65 -1.99 -1.70 0.59 116.97 118.01 1dp0 h TYR 399 Ca 0.35 -0.13 0.04 0.00 2.00 0.00 0.00 58.73 60.99 1dp0 h TYR 399 Cb 0.28 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 1dp0 h TYR 399 CO -0.07 0.87 0.05 1.15 -0.00 0.00 0.00 178.16 180.16 1dp0 h THR 400 N 0.89 0.88 -0.57 -2.88 2.02 -1.49 0.21 112.91 111.98 1dp0 h THR 400 Ca 0.19 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1dp0 h THR 400 Cb 0.36 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1dp0 h THR 400 CO 0.00 0.03 0.25 -0.07 0.37 0.00 0.00 175.52 176.10 1dp0 h LEU 401 N 0.16 0.77 -0.73 2.58 3.38 -0.92 -1.57 115.31 118.97 1dp0 h LEU 401 Ca 0.12 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1dp0 h LEU 401 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1dp0 h LEU 401 CO -0.16 0.71 -0.48 0.00 0.09 0.00 0.00 178.44 178.60 1dp0 h ASP 403 N 0.31 0.83 0.29 0.00 3.32 -0.33 0.41 116.42 121.24 1dp0 h ASP 403 Ca 0.02 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.65 1dp0 h ASP 403 Cb 0.95 -0.21 0.03 0.00 0.22 0.00 0.00 39.33 40.32 1dp0 h ASP 403 CO 0.08 0.67 -1.51 0.03 -1.72 0.00 0.00 179.24 176.79 1dp0 h ARG 404 N 0.93 0.48 0.00 3.56 3.08 -0.95 -3.34 114.38 118.14 1dp0 h ARG 404 Ca 0.24 -0.82 -0.17 0.00 0.07 0.00 0.00 59.98 59.30 1dp0 h ARG 404 Cb 0.01 0.31 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1dp0 h ARG 404 CO -0.04 1.39 -1.04 1.88 -1.07 0.00 0.00 179.97 181.09 1dp0 h TYR 405 N 0.13 0.00 -0.91 3.04 -1.99 -0.85 -3.45 116.97 112.93 1dp0 h TYR 405 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1dp0 h TYR 405 Cb 2.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.87 1dp0 h TYR 405 CO 0.12 0.68 0.00 0.41 -0.00 0.00 0.00 178.16 179.37 1dp0 n GLY 406 N 1.34 -0.77 3.05 3.88 0.00 0.10 -4.80 105.19 107.99 1dp0 n GLY 406 Ca -0.04 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1dp0 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 407 N -0.06 1.32 0.21 0.99 1.43 -0.98 -4.67 118.68 116.92 1dp0 s LEU 407 Ca 0.00 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 1dp0 s LEU 407 Cb 0.00 0.60 -0.08 0.00 0.03 0.00 0.00 46.19 46.74 1dp0 s LEU 407 CO 0.00 -0.06 0.95 -0.31 0.23 0.00 0.00 176.35 177.16 1dp0 s TYR 408 N 0.10 3.93 -0.04 0.29 4.12 -0.02 -4.71 117.35 121.02 1dp0 s TYR 408 Ca -0.00 1.88 0.06 0.00 0.02 0.00 0.00 57.07 59.02 1dp0 s TYR 408 Cb -0.01 -3.01 -0.01 0.00 -1.52 0.00 0.00 41.96 37.40 1dp0 s TYR 408 CO 0.00 0.35 -0.21 0.08 0.02 0.00 0.00 175.55 175.79 1dp0 s VAL 409 N -0.87 1.74 -0.36 0.71 1.01 0.15 -0.76 120.40 122.02 1dp0 s VAL 409 Ca 0.43 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1dp0 s VAL 409 Cb -0.26 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1dp0 s VAL 409 CO 0.32 0.49 0.25 -0.69 0.00 0.00 0.00 175.10 175.47 1dp0 s VAL 410 N -0.18 5.21 -0.19 2.92 1.01 -0.52 -1.06 120.40 127.60 1dp0 s VAL 410 Ca -0.01 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1dp0 s VAL 410 Cb -0.12 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1dp0 s VAL 410 CO 0.02 -0.10 0.44 -0.62 0.00 0.00 0.00 175.10 174.84 1dp0 s ASP 411 N 1.70 6.50 -0.10 3.32 -1.08 -0.84 -1.68 116.67 124.48 1dp0 s ASP 411 Ca 0.06 0.59 0.04 0.00 -0.52 0.00 0.00 52.55 52.71 1dp0 s ASP 411 Cb -0.18 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1dp0 s ASP 411 CO 0.10 -0.10 -0.23 -0.70 0.52 0.00 0.00 175.17 174.76 1dp0 s GLU 412 N 1.34 3.00 0.60 4.34 2.12 -1.26 -0.28 118.70 128.56 1dp0 s GLU 412 Ca 0.21 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.49 1dp0 s GLU 412 Cb -0.15 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 1dp0 s GLU 412 CO 0.09 0.16 1.28 0.00 -0.54 0.00 0.00 175.26 176.25 1dp0 s ALA 413 N 0.38 2.56 -1.36 6.30 0.00 -0.64 -1.63 121.76 127.36 1dp0 s ALA 413 Ca -0.18 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1dp0 s ALA 413 Cb -0.18 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.51 1dp0 s ALA 413 CO 0.08 -1.39 1.98 -1.71 0.00 0.00 0.00 175.76 174.73 1dp0 n ASN 414 N -1.55 4.52 -3.70 0.00 5.15 -1.26 -4.03 115.26 114.40 1dp0 n ASN 414 Ca 0.14 -2.95 -0.26 0.00 -0.60 0.00 0.00 54.58 50.90 1dp0 n ASN 414 Cb 0.48 -1.60 -0.17 0.00 -0.53 0.00 0.00 39.78 37.95 1dp0 n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dp0 s ILE 415 N 2.27 0.28 -0.10 -1.44 1.01 -1.26 -4.76 121.20 117.20 1dp0 s ILE 415 Ca 0.45 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 1dp0 s ILE 415 Cb 0.10 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.85 1dp0 s ILE 415 CO -0.03 -0.14 0.21 -0.70 0.00 0.00 0.00 174.94 174.27 1dp0 s GLU 416 N 1.98 0.10 -0.31 2.79 2.12 -0.18 -0.78 118.70 124.41 1dp0 s GLU 416 Ca 0.01 0.63 0.11 0.00 0.36 0.00 0.00 54.97 56.07 1dp0 s GLU 416 Cb -0.16 -0.16 0.46 0.00 0.26 0.00 0.00 34.13 34.54 1dp0 s GLU 416 CO -0.08 -0.28 1.15 0.25 -0.54 0.00 0.00 175.26 175.76 1dp0 n THR 417 N 5.18 2.15 -0.30 -1.70 -2.24 -1.07 -1.04 114.28 115.25 1dp0 n THR 417 Ca -0.08 -3.99 0.12 0.00 -2.27 0.00 0.00 64.05 57.82 1dp0 n THR 417 Cb 0.50 -0.54 0.29 0.00 -2.10 0.00 0.00 70.33 68.49 1dp0 n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1dp0 h HIS 418 N 2.38 0.70 0.00 4.78 6.17 -1.38 -1.69 115.15 126.11 1dp0 h HIS 418 Ca 0.22 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.34 1dp0 h HIS 418 Cb 1.36 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 31.12 1dp0 h HIS 418 CO 0.75 0.02 0.00 0.41 0.71 0.00 0.00 177.93 179.82 1dp0 n GLY 419 N -1.33 -0.73 3.82 5.26 0.00 -1.21 -4.79 105.19 106.21 1dp0 n GLY 419 Ca 0.21 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1dp0 n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dp0 s MET 420 N -2.20 2.70 -0.10 1.61 -1.94 -0.64 -4.79 119.30 113.95 1dp0 s MET 420 Ca 0.26 0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 55.06 1dp0 s MET 420 Cb 0.13 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 35.03 1dp0 s MET 420 CO 0.25 -1.23 -0.04 0.08 -0.01 0.00 0.00 175.02 174.06 1dp0 s VAL 421 N -3.10 0.77 1.16 -6.03 1.01 -1.26 -3.37 120.40 109.58 1dp0 s VAL 421 Ca 0.59 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1dp0 s VAL 421 Cb -0.14 -0.85 0.27 0.00 0.00 0.00 0.00 36.38 35.66 1dp0 s VAL 421 CO 0.55 0.31 1.06 -2.16 0.00 0.00 0.00 175.10 174.86 1dp0 s PRO 422 N 1.81 -0.90 0.49 2.72 0.04 -1.26 -4.82 135.00 133.08 1dp0 s PRO 422 Ca 0.05 0.33 0.26 0.00 0.04 0.00 0.00 61.00 61.68 1dp0 s PRO 422 Cb -0.13 -1.60 1.26 0.00 0.04 0.00 0.00 34.50 34.08 1dp0 s PRO 422 CO -0.07 -3.58 1.98 1.98 0.04 0.00 0.00 177.00 177.35 1dp0 h MET 423 N -2.50 0.00 -0.76 4.56 4.05 -1.86 -2.16 114.93 116.26 1dp0 h MET 423 Ca -0.52 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.87 1dp0 h MET 423 Cb 1.32 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 1dp0 h MET 423 CO 0.45 0.16 0.03 0.27 0.23 0.00 0.00 176.91 178.06 1dp0 n ASN 424 N -3.55 3.91 -0.24 1.39 6.94 -1.25 -3.83 115.26 118.62 1dp0 n ASN 424 Ca -0.01 -2.61 0.07 0.00 -0.02 0.00 0.00 54.58 52.01 1dp0 n ASN 424 Cb 0.31 -0.62 0.33 0.00 -2.36 0.00 0.00 39.78 37.44 1dp0 n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1dp0 h ARG 425 N 2.33 0.78 0.16 -3.83 2.43 -1.70 -1.33 114.38 113.21 1dp0 h ARG 425 Ca 0.03 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 1dp0 h ARG 425 Cb 1.48 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1dp0 h ARG 425 CO 0.34 0.51 -1.76 -0.07 -1.51 0.00 0.00 179.97 177.48 1dp0 h LEU 426 N 0.80 0.52 -0.71 3.80 3.38 -1.86 -3.35 115.31 117.88 1dp0 h LEU 426 Ca 0.37 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1dp0 h LEU 426 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1dp0 h LEU 426 CO -0.14 1.78 0.00 0.35 0.09 0.00 0.00 178.44 180.52 1dp0 n THR 427 N -3.63 0.90 0.83 0.22 -2.24 -1.08 -1.25 114.28 108.03 1dp0 n THR 427 Ca -0.27 0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1dp0 n THR 427 Cb 1.03 -1.23 0.16 0.00 -2.10 0.00 0.00 70.33 68.20 1dp0 n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dp0 n ASP 428 N -2.15 3.04 -4.60 3.42 2.03 -0.52 -1.57 116.55 116.21 1dp0 n ASP 428 Ca 0.02 -1.97 -0.37 0.00 0.52 0.00 0.00 54.79 52.98 1dp0 n ASP 428 Cb 0.19 -0.07 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 1dp0 n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dp0 s ASP 429 N -1.85 5.96 0.47 1.67 -1.08 -0.38 -4.58 116.67 116.89 1dp0 s ASP 429 Ca 0.32 0.00 0.32 0.00 -0.52 0.00 0.00 52.55 52.67 1dp0 s ASP 429 Cb 0.21 -2.10 1.60 0.00 -1.46 0.00 0.00 42.92 41.17 1dp0 s ASP 429 CO 0.31 -0.02 1.98 1.55 0.52 0.00 0.00 175.17 179.50 1dp0 h PRO 430 N 8.13 0.00 0.00 4.34 0.13 -1.90 -0.42 132.00 142.27 1dp0 h PRO 430 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1dp0 h PRO 430 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dp0 h PRO 430 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1dp0 h ARG 431 N 0.00 0.00 -0.28 0.86 2.47 -1.93 -1.91 114.38 113.59 1dp0 h ARG 431 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1dp0 h ARG 431 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1dp0 h ARG 431 CO 0.00 0.00 0.00 0.91 0.56 0.00 0.00 179.97 181.44 1dp0 n TRP 432 N -2.54 0.35 -0.25 3.04 7.02 -0.17 -4.44 117.44 120.45 1dp0 n TRP 432 Ca 0.03 -0.20 -0.07 0.00 -1.02 0.00 0.00 57.50 56.24 1dp0 n TRP 432 Cb 0.32 -0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.25 1dp0 n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1dp0 h LEU 433 N 4.04 0.95 -0.58 -0.99 5.85 -1.31 -1.97 115.31 121.29 1dp0 h LEU 433 Ca 0.00 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1dp0 h LEU 433 Cb 0.91 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1dp0 h LEU 433 CO 0.00 0.87 0.30 -0.65 -0.34 0.00 0.00 178.44 178.61 1dp0 h PRO 434 N 0.97 0.83 -0.43 5.25 0.11 -1.78 0.37 132.00 137.33 1dp0 h PRO 434 Ca 0.23 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1dp0 h PRO 434 Cb 0.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1dp0 h PRO 434 CO -0.02 0.66 -0.07 0.00 -0.21 0.00 0.00 178.00 178.36 1dp0 h ALA 435 N 1.13 0.59 -0.63 -0.75 0.00 -1.73 -2.28 119.26 115.58 1dp0 h ALA 435 Ca 0.20 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1dp0 h ALA 435 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1dp0 h ALA 435 CO -0.03 0.45 0.15 0.52 0.00 0.00 0.00 179.25 180.34 1dp0 h MET 436 N 0.64 1.01 -0.82 0.00 2.86 -1.07 -3.09 114.93 114.46 1dp0 h MET 436 Ca 0.11 -0.24 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1dp0 h MET 436 Cb 0.59 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 1dp0 h MET 436 CO 0.04 0.91 0.46 0.66 1.06 0.00 0.00 176.91 180.04 1dp0 h SER 437 N 0.92 0.65 0.03 1.22 4.64 0.11 -0.59 113.55 120.54 1dp0 h SER 437 Ca 0.20 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1dp0 h SER 437 Cb 0.36 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1dp0 h SER 437 CO 0.00 0.37 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.92 1dp0 h GLU 438 N 0.77 0.13 -0.16 4.77 5.08 -1.35 0.56 114.58 124.39 1dp0 h GLU 438 Ca 0.40 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1dp0 h GLU 438 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1dp0 h GLU 438 CO -0.25 0.23 -0.46 0.00 -1.00 0.00 0.00 179.01 177.53 1dp0 h ARG 439 N 0.13 0.39 0.00 2.33 3.08 -1.07 -1.94 114.38 117.31 1dp0 h ARG 439 Ca 0.03 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1dp0 h ARG 439 Cb 0.24 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1dp0 h ARG 439 CO 0.01 0.77 -0.05 0.28 -1.07 0.00 0.00 179.97 179.92 1dp0 h VAL 440 N 0.32 1.08 -0.47 2.04 2.07 -0.91 -3.31 116.25 117.07 1dp0 h VAL 440 Ca 0.02 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.62 1dp0 h VAL 440 Cb 0.93 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1dp0 h VAL 440 CO 0.08 0.37 -0.09 0.71 0.02 0.00 0.00 177.57 178.65 1dp0 h THR 441 N -1.00 1.26 0.00 2.57 1.35 0.04 -1.94 112.91 115.19 1dp0 h THR 441 Ca -0.01 -1.17 -0.03 0.00 -0.55 0.00 0.00 66.41 64.65 1dp0 h THR 441 Cb 0.63 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1dp0 h THR 441 CO -0.01 0.41 -0.14 0.03 -0.25 0.00 0.00 175.52 175.56 1dp0 h ARG 442 N 0.76 0.00 -0.13 4.72 3.08 -1.54 -1.34 114.38 119.93 1dp0 h ARG 442 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1dp0 h ARG 442 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1dp0 h ARG 442 CO 0.04 0.14 -0.32 1.98 -1.07 0.00 0.00 179.97 180.74 1dp0 h MET 443 N 0.00 0.45 -0.59 0.04 4.05 -1.52 -2.64 114.93 114.71 1dp0 h MET 443 Ca -0.00 -0.31 -0.08 0.00 -0.28 0.00 0.00 59.70 59.04 1dp0 h MET 443 Cb 0.69 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1dp0 h MET 443 CO 0.02 0.92 0.08 0.28 0.23 0.00 0.00 176.91 178.43 1dp0 h VAL 444 N 0.05 1.26 0.00 -5.77 2.07 -1.05 -0.55 116.25 112.26 1dp0 h VAL 444 Ca -0.00 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1dp0 h VAL 444 Cb 0.92 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1dp0 h VAL 444 CO 0.07 0.37 -0.07 1.56 0.02 0.00 0.00 177.57 179.52 1dp0 h GLN 445 N 0.90 0.00 0.08 1.57 4.20 -1.26 -2.18 115.11 118.42 1dp0 h GLN 445 Ca 0.18 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.57 1dp0 h GLN 445 Cb 0.45 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1dp0 h GLN 445 CO 0.02 0.07 -1.71 -0.09 -0.67 0.00 0.00 178.83 176.45 1dp0 h ARG 446 N 0.00 0.17 -0.18 1.46 2.43 -1.01 -3.06 114.38 114.19 1dp0 h ARG 446 Ca -0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1dp0 h ARG 446 Cb 0.16 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1dp0 h ARG 446 CO 0.01 0.95 0.00 -0.25 -1.51 0.00 0.00 179.97 179.17 1dp0 n ASP 447 N -3.33 2.38 0.26 -3.80 8.00 -0.27 -4.33 116.55 115.45 1dp0 n ASP 447 Ca -0.21 -1.83 0.17 0.00 0.71 0.00 0.00 54.79 53.64 1dp0 n ASP 447 Cb 1.04 -0.12 0.84 0.00 -0.02 0.00 0.00 41.12 42.87 1dp0 n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1dp0 h ARG 448 N 1.40 0.00 -0.36 -1.24 0.11 -1.61 -2.55 114.38 110.13 1dp0 h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dp0 h ARG 448 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1dp0 h ARG 448 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1dp0 n ASN 449 N -2.79 2.80 -4.64 0.08 3.02 -1.26 -4.85 115.26 107.62 1dp0 n ASN 449 Ca -0.01 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.22 1dp0 n ASN 449 Cb 0.15 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 1dp0 n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1dp0 s HIS 450 N -1.54 3.30 0.42 3.10 3.76 -0.96 -4.85 115.29 118.53 1dp0 s HIS 450 Ca 0.36 0.99 0.13 0.00 -0.15 0.00 0.00 55.06 56.40 1dp0 s HIS 450 Cb 0.20 -2.95 0.99 0.00 1.11 0.00 0.00 32.58 31.93 1dp0 s HIS 450 CO 0.29 -0.36 1.96 -1.00 -0.85 0.00 0.00 174.74 174.78 1dp0 h PRO 451 N 7.76 0.45 -0.19 8.40 0.13 -1.87 -2.43 132.00 144.24 1dp0 h PRO 451 Ca -0.25 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1dp0 h PRO 451 Cb 1.11 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1dp0 h PRO 451 CO 0.83 0.30 0.12 0.66 -0.23 0.00 0.00 178.00 179.67 1dp0 h SER 452 N 0.46 0.23 -2.89 1.44 4.64 -1.87 -3.40 113.55 112.17 1dp0 h SER 452 Ca 0.30 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 61.05 1dp0 h SER 452 Cb 0.57 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1dp0 h SER 452 CO -0.09 0.17 0.99 -0.69 -0.87 0.00 0.00 176.83 176.34 1dp0 s VAL 453 N -5.25 4.04 -0.09 0.95 1.01 -0.92 0.34 120.40 120.48 1dp0 s VAL 453 Ca -0.07 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1dp0 s VAL 453 Cb 0.17 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1dp0 s VAL 453 CO 0.70 -0.23 0.16 2.30 0.00 0.00 0.00 175.10 178.03 1dp0 n ILE 454 N 5.75 0.00 -3.83 2.22 -5.35 -0.22 -4.88 119.36 113.05 1dp0 n ILE 454 Ca 0.15 -0.20 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 1dp0 n ILE 454 Cb 0.45 0.56 -0.13 0.00 -1.74 0.00 0.00 39.64 38.78 1dp0 n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1dp0 s ILE 455 N -2.13 -0.00 -0.05 7.28 1.01 -1.20 -4.02 121.20 122.08 1dp0 s ILE 455 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 1dp0 s ILE 455 Cb 0.04 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 1dp0 s ILE 455 CO 0.24 0.00 0.15 0.26 0.00 0.00 0.00 174.94 175.59 1dp0 s TRP 456 N 0.08 3.53 0.08 3.97 0.52 -0.63 -1.99 118.94 124.51 1dp0 s TRP 456 Ca -0.00 0.40 0.10 0.00 0.02 0.00 0.00 56.10 56.62 1dp0 s TRP 456 Cb -0.01 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1dp0 s TRP 456 CO -0.00 0.67 -0.25 0.45 0.02 0.00 0.00 176.95 177.84 1dp0 s SER 457 N -1.55 3.07 0.00 2.95 0.15 0.62 -0.67 113.70 118.27 1dp0 s SER 457 Ca 0.22 -0.66 0.16 0.00 0.70 0.00 0.00 55.95 56.37 1dp0 s SER 457 Cb -0.12 -0.23 0.74 0.00 -1.71 0.00 0.00 66.02 64.69 1dp0 s SER 457 CO 0.12 0.19 1.50 0.18 1.20 0.00 0.00 173.24 176.44 1dp0 n LEU 458 N 1.37 0.74 0.00 3.45 4.77 -0.94 -1.62 117.00 124.77 1dp0 n LEU 458 Ca -0.18 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1dp0 n LEU 458 Cb 0.53 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1dp0 n LEU 458 CO 0.23 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1dp0 n GLY 459 N 0.88 0.60 3.28 -0.72 0.00 -1.26 -4.64 105.19 103.34 1dp0 n GLY 459 Ca 0.12 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1dp0 n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dp0 s ASN 460 N -4.00 -0.30 -0.89 1.61 2.47 0.04 -4.74 114.94 109.13 1dp0 s ASN 460 Ca 0.00 0.36 -0.17 0.00 0.42 0.00 0.00 52.86 53.46 1dp0 s ASN 460 Cb 0.00 0.48 0.02 0.00 -1.45 0.00 0.00 41.25 40.31 1dp0 s ASN 460 CO 0.00 -0.37 0.54 -0.62 -3.72 0.00 0.00 177.10 172.93 1dp0 n GLU 461 N 1.70 -0.74 -1.03 0.43 1.02 -1.26 -4.06 120.64 116.71 1dp0 n GLU 461 Ca -0.19 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1dp0 n GLU 461 Cb 0.56 -1.87 0.08 0.00 -0.02 0.00 0.00 31.44 30.19 1dp0 n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1dp0 n SER 462 N -1.85 1.15 0.00 1.62 7.64 -1.26 -1.14 113.62 119.78 1dp0 n SER 462 Ca -0.17 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1dp0 n SER 462 Cb 0.52 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1dp0 n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dp0 n GLY 463 N -0.13 0.94 2.83 0.23 0.00 -1.25 -3.95 105.19 103.86 1dp0 n GLY 463 Ca 0.09 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1dp0 n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dp0 s HIS 464 N 0.00 1.33 0.28 1.61 2.46 -1.26 -3.57 115.29 116.14 1dp0 s HIS 464 Ca 0.00 -0.85 0.11 0.00 0.47 0.00 0.00 55.06 54.78 1dp0 s HIS 464 Cb 0.00 -1.14 -0.05 0.00 -0.13 0.00 0.00 32.58 31.25 1dp0 s HIS 464 CO 0.00 -0.56 -0.16 0.20 -2.47 0.00 0.00 174.74 171.75 1dp0 s GLY 465 N 1.76 1.89 0.58 1.59 0.00 -1.26 -4.84 107.32 107.03 1dp0 s GLY 465 Ca 0.01 -1.90 0.28 0.00 0.00 0.00 0.00 44.72 43.11 1dp0 s GLY 465 CO -0.07 -1.95 2.20 0.00 0.00 0.00 0.00 173.10 173.28 1dp0 h ALA 466 N 2.26 1.67 -0.16 3.20 0.00 -1.80 0.11 119.26 124.54 1dp0 h ALA 466 Ca -0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1dp0 h ALA 466 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1dp0 h ALA 466 CO 0.63 -0.08 0.06 -0.91 0.00 0.00 0.00 179.25 178.95 1dp0 h ASN 467 N 0.00 0.20 -0.34 0.00 2.35 -1.60 -1.42 115.58 114.77 1dp0 h ASN 467 Ca 0.02 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 1dp0 h ASN 467 Cb 0.13 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1dp0 h ASN 467 CO -0.00 0.19 -0.29 0.45 -1.65 0.00 0.00 177.43 176.13 1dp0 h HIS 468 N 0.22 1.00 -0.63 1.19 3.86 -0.95 -1.95 115.15 117.91 1dp0 h HIS 468 Ca 0.06 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 58.97 1dp0 h HIS 468 Cb 0.06 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1dp0 h HIS 468 CO 0.00 1.04 0.23 -0.44 0.86 0.00 0.00 177.93 179.62 1dp0 h ASP 469 N 0.73 0.88 -0.63 2.45 3.32 -1.20 0.11 116.42 122.08 1dp0 h ASP 469 Ca 0.08 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1dp0 h ASP 469 Cb 0.84 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1dp0 h ASP 469 CO 0.07 0.83 0.25 0.00 -1.72 0.00 0.00 179.24 178.67 1dp0 h ALA 470 N 1.09 0.83 -0.02 3.45 0.00 -1.17 -2.27 119.26 121.16 1dp0 h ALA 470 Ca 0.21 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1dp0 h ALA 470 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1dp0 h ALA 470 CO -0.01 0.45 -0.79 -0.07 0.00 0.00 0.00 179.25 178.82 1dp0 h LEU 471 N 0.89 0.27 -0.48 0.00 3.38 -1.09 -0.85 115.31 117.42 1dp0 h LEU 471 Ca 0.21 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1dp0 h LEU 471 Cb 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1dp0 h LEU 471 CO -0.02 0.95 0.25 0.22 0.09 0.00 0.00 178.44 179.93 1dp0 h TYR 472 N 0.13 0.46 -0.67 1.13 3.20 -0.60 -1.80 116.97 118.82 1dp0 h TYR 472 Ca -0.03 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1dp0 h TYR 472 Cb 1.38 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 1dp0 h TYR 472 CO 0.03 0.24 0.11 -0.09 -1.64 0.00 0.00 178.16 176.80 1dp0 h ARG 473 N 0.50 1.11 -0.35 1.82 9.65 -1.20 -1.23 114.38 124.68 1dp0 h ARG 473 Ca 0.21 -0.30 0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1dp0 h ARG 473 Cb 0.10 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1dp0 h ARG 473 CO -0.14 1.02 0.19 2.35 2.80 0.00 0.00 179.97 186.18 1dp0 h TRP 474 N 1.04 0.34 -0.49 2.20 7.01 -0.75 -1.10 115.95 124.20 1dp0 h TRP 474 Ca 0.20 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.15 1dp0 h TRP 474 Cb 0.44 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1dp0 h TRP 474 CO 0.03 0.19 0.03 0.82 -2.79 0.00 0.00 178.44 176.73 1dp0 h ILE 475 N 0.38 1.26 -0.13 2.65 2.04 -0.98 -0.50 117.51 122.23 1dp0 h ILE 475 Ca 0.14 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1dp0 h ILE 475 Cb 0.04 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1dp0 h ILE 475 CO -0.09 0.36 0.09 0.11 0.00 0.00 0.00 178.15 178.62 1dp0 h LYS 476 N 0.71 0.00 -0.01 2.37 1.79 -0.79 0.48 116.57 121.12 1dp0 h LYS 476 Ca 0.14 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1dp0 h LYS 476 Cb 0.47 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1dp0 h LYS 476 CO 0.02 0.00 -0.27 0.77 -1.08 0.00 0.00 179.45 178.89 1dp0 h SER 477 N 0.00 0.25 0.93 0.86 0.02 -0.62 -3.34 113.55 111.64 1dp0 h SER 477 Ca 0.06 -0.75 -0.15 0.00 -0.84 0.00 0.00 61.79 60.11 1dp0 h SER 477 Cb 0.25 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1dp0 h SER 477 CO -0.00 0.97 -0.69 -0.37 -1.14 0.00 0.00 176.83 175.60 1dp0 h VAL 478 N -0.44 1.35 -2.54 2.27 -1.51 -0.59 -3.41 116.25 111.38 1dp0 h VAL 478 Ca -0.03 -2.49 -0.57 0.00 -1.23 0.00 0.00 66.70 62.38 1dp0 h VAL 478 Cb 1.00 2.40 -0.39 0.00 -2.13 0.00 0.00 31.29 32.17 1dp0 h VAL 478 CO 0.05 0.68 -0.86 -0.62 -1.23 0.00 0.00 177.57 175.59 1dp0 s ASP 479 N -6.67 2.76 0.00 4.19 2.15 0.16 -4.96 116.67 114.31 1dp0 s ASP 479 Ca 0.01 -2.24 0.22 0.00 0.43 0.00 0.00 52.55 50.96 1dp0 s ASP 479 Cb 0.11 -0.36 1.12 0.00 -0.30 0.00 0.00 42.92 43.48 1dp0 s ASP 479 CO 0.77 -0.30 1.69 -2.65 -0.17 0.00 0.00 175.17 174.51 1dp0 n PRO 480 N 3.95 0.36 0.00 4.34 -0.02 -1.25 -3.53 135.00 138.85 1dp0 n PRO 480 Ca 0.14 0.07 0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1dp0 n PRO 480 Cb 0.38 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 33.04 1dp0 n PRO 480 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dp0 n SER 481 N -1.25 0.14 -3.98 2.55 3.41 -1.26 -4.83 113.62 108.41 1dp0 n SER 481 Ca 0.11 -0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 1dp0 n SER 481 Cb 0.16 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 1dp0 n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1dp0 s ARG 482 N -2.63 0.44 0.77 4.33 0.52 -1.23 -4.23 118.95 116.91 1dp0 s ARG 482 Ca 0.25 -0.34 -0.11 0.00 -0.52 0.00 0.00 55.73 55.02 1dp0 s ARG 482 Cb 0.20 -0.37 0.05 0.00 0.52 0.00 0.00 34.95 35.36 1dp0 s ARG 482 CO 0.49 0.09 1.10 -2.14 0.02 0.00 0.00 175.30 174.86 1dp0 s PRO 483 N -0.51 2.25 -0.07 3.54 0.02 -1.26 -4.79 135.00 134.19 1dp0 s PRO 483 Ca -0.01 1.22 0.05 0.00 0.02 0.00 0.00 61.00 62.27 1dp0 s PRO 483 Cb -0.04 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 1dp0 s PRO 483 CO -0.00 -1.65 -0.21 0.08 -0.33 0.00 0.00 177.00 174.89 1dp0 s VAL 484 N -2.81 2.41 0.24 3.83 1.01 -1.26 -1.60 120.40 122.22 1dp0 s VAL 484 Ca 0.62 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1dp0 s VAL 484 Cb -0.18 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1dp0 s VAL 484 CO 0.54 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 176.18 1dp0 s GLN 485 N -0.20 1.39 -0.30 2.72 -2.07 0.15 -0.07 119.66 121.29 1dp0 s GLN 485 Ca -0.02 -1.70 -0.17 0.00 -1.82 0.00 0.00 55.36 51.66 1dp0 s GLN 485 Cb -0.13 -0.80 0.19 0.00 -1.09 0.00 0.00 33.01 31.18 1dp0 s GLN 485 CO 0.03 -0.04 1.19 -0.47 -1.32 0.00 0.00 175.29 174.68 1dp0 s TYR 486 N -3.28 -0.22 -0.16 9.60 5.04 -1.26 -2.20 117.35 124.87 1dp0 s TYR 486 Ca 0.28 0.42 0.17 0.00 -2.44 0.00 0.00 57.07 55.50 1dp0 s TYR 486 Cb 0.05 0.13 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 1dp0 s TYR 486 CO 0.09 -0.11 1.14 1.49 -1.34 0.00 0.00 175.55 176.82 1dp0 h GLU 487 N 6.14 0.00 -7.04 4.97 4.22 -1.85 -3.43 114.58 117.60 1dp0 h GLU 487 Ca -0.21 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.67 1dp0 h GLU 487 Cb 1.15 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.57 1dp0 h GLU 487 CO 0.16 0.34 0.34 0.41 -2.18 0.00 0.00 179.01 178.07 1dp0 n GLY 488 N 1.29 0.12 2.18 1.92 0.00 -1.26 -0.47 105.19 108.97 1dp0 n GLY 488 Ca -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1dp0 n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 489 N 0.98 0.64 0.00 -0.02 0.00 -1.23 -3.96 105.19 101.60 1dp0 n GLY 489 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1dp0 n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 490 N -1.75 0.91 3.62 -0.02 0.00 -1.20 -4.76 105.19 102.00 1dp0 n GLY 490 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1dp0 n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dp0 n ALA 491 N -0.67 0.00 -2.45 4.61 0.00 0.38 -4.68 120.51 117.71 1dp0 n ALA 491 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1dp0 n ALA 491 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1dp0 n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dp0 n ASP 492 N -0.07 0.87 -3.62 0.00 5.68 -1.26 -2.21 116.55 115.94 1dp0 n ASP 492 Ca 0.00 -2.00 -0.30 0.00 -0.50 0.00 0.00 54.79 51.99 1dp0 n ASP 492 Cb 0.03 -0.28 0.25 0.00 -1.14 0.00 0.00 41.12 39.98 1dp0 n ASP 492 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1dp0 n THR 493 N 0.45 0.00 1.68 2.12 -2.24 -1.26 -4.91 114.28 110.12 1dp0 n THR 493 Ca 0.05 -0.57 0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1dp0 n THR 493 Cb 1.10 -1.29 0.62 0.00 -2.10 0.00 0.00 70.33 68.66 1dp0 n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dp0 n THR 494 N -4.71 0.00 -0.99 4.28 -2.24 -1.26 -2.89 114.28 106.48 1dp0 n THR 494 Ca 0.16 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.97 1dp0 n THR 494 Cb 0.59 -0.47 0.34 0.00 -2.10 0.00 0.00 70.33 68.70 1dp0 n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dp0 n ALA 495 N -0.89 3.93 -3.36 6.98 0.00 -1.26 -4.93 120.51 120.97 1dp0 n ALA 495 Ca 0.16 -2.17 -0.13 0.00 0.00 0.00 0.00 53.44 51.30 1dp0 n ALA 495 Cb 0.07 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1dp0 n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dp0 s THR 496 N -2.87 -0.02 -0.83 0.00 -1.32 -1.14 -4.23 115.64 105.23 1dp0 s THR 496 Ca 0.52 0.09 0.26 0.00 -1.21 0.00 0.00 61.69 61.35 1dp0 s THR 496 Cb 0.41 -0.20 0.15 0.00 -1.51 0.00 0.00 72.50 71.35 1dp0 s THR 496 CO 0.13 0.04 1.60 0.47 -2.21 0.00 0.00 174.62 174.65 1dp0 n ASP 497 N 3.60 0.52 -4.08 8.08 8.00 0.90 -4.83 116.55 128.74 1dp0 n ASP 497 Ca -0.19 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.32 1dp0 n ASP 497 Cb 0.55 -0.22 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 1dp0 n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1dp0 s ILE 498 N -3.07 1.15 -0.26 0.53 1.01 -1.26 -4.50 121.20 114.79 1dp0 s ILE 498 Ca 0.10 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1dp0 s ILE 498 Cb 0.15 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 1dp0 s ILE 498 CO 0.64 0.34 1.30 -0.63 0.00 0.00 0.00 174.94 176.58 1dp0 s ILE 499 N 0.05 4.17 -0.45 2.92 1.01 0.17 -4.68 121.20 124.39 1dp0 s ILE 499 Ca -0.02 1.35 0.09 0.00 0.00 0.00 0.00 60.65 62.07 1dp0 s ILE 499 Cb -0.10 -4.11 0.35 0.00 0.01 0.00 0.00 42.46 38.62 1dp0 s ILE 499 CO 0.01 -0.38 0.82 0.00 0.00 0.00 0.00 174.94 175.39 1dp0 s PRO 501 N -2.84 1.17 -0.16 0.00 0.04 -1.26 -3.56 135.00 128.39 1dp0 s PRO 501 Ca 0.43 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1dp0 s PRO 501 Cb 0.32 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 33.09 1dp0 s PRO 501 CO -0.10 -2.39 -0.16 0.00 0.04 0.00 0.00 177.00 174.39 1dp0 s MET 502 N -4.78 3.19 -1.54 4.56 0.23 -1.26 -0.91 119.30 118.80 1dp0 s MET 502 Ca 0.64 -0.76 0.00 0.00 -1.03 0.00 0.00 55.69 54.55 1dp0 s MET 502 Cb -0.20 -2.63 0.00 0.00 -1.53 0.00 0.00 34.83 30.47 1dp0 s MET 502 CO 0.58 -0.02 0.00 0.66 -2.03 0.00 0.00 175.02 174.21 1dp0 n TYR 503 N 4.15 -0.37 -2.47 3.16 4.02 0.58 -4.96 117.16 121.27 1dp0 n TYR 503 Ca -0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.31 1dp0 n TYR 503 Cb 0.51 -3.02 -0.04 0.00 -0.02 0.00 0.00 39.34 36.77 1dp0 n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dp0 s ALA 504 N -2.69 3.27 0.72 -0.72 0.00 -1.26 -4.89 121.76 116.19 1dp0 s ALA 504 Ca 0.00 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 1dp0 s ALA 504 Cb 0.00 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.88 1dp0 s ALA 504 CO 0.00 -0.23 1.03 1.03 0.00 0.00 0.00 175.76 177.59 1dp0 s ARG 505 N -1.91 2.04 -0.06 0.00 0.52 -1.26 -4.81 118.95 113.47 1dp0 s ARG 505 Ca 0.51 -0.34 -0.27 0.00 -0.52 0.00 0.00 55.73 55.11 1dp0 s ARG 505 Cb -0.29 -2.16 -0.22 0.00 0.52 0.00 0.00 34.95 32.80 1dp0 s ARG 505 CO 0.36 -1.34 1.09 0.28 0.02 0.00 0.00 175.30 175.72 1dp0 h VAL 506 N -0.67 1.53 0.00 3.52 2.07 -1.94 -1.02 116.25 119.75 1dp0 h VAL 506 Ca -0.44 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 1dp0 h VAL 506 Cb 1.31 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1dp0 h VAL 506 CO 0.57 0.42 -1.25 0.47 0.02 0.00 0.00 177.57 177.79 1dp0 n ASP 507 N -4.74 3.75 -4.63 0.57 8.00 -1.26 -3.31 116.55 114.92 1dp0 n ASP 507 Ca -0.09 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.02 1dp0 n ASP 507 Cb 0.35 1.23 -0.08 0.00 -0.02 0.00 0.00 41.12 42.60 1dp0 n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1dp0 s GLU 508 N -2.37 4.10 0.49 -1.24 2.12 -1.26 -4.74 118.70 115.80 1dp0 s GLU 508 Ca -0.02 0.20 -0.18 0.00 0.36 0.00 0.00 54.97 55.33 1dp0 s GLU 508 Cb 0.03 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 1dp0 s GLU 508 CO 0.23 -0.21 0.98 -0.51 -0.54 0.00 0.00 175.26 175.21 1dp0 s ASP 509 N 1.38 6.65 -0.39 -1.70 1.01 -1.26 -3.79 116.67 118.56 1dp0 s ASP 509 Ca 0.19 1.64 0.01 0.00 0.71 0.00 0.00 52.55 55.09 1dp0 s ASP 509 Cb -0.15 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.39 1dp0 s ASP 509 CO 0.09 -0.57 0.21 -1.10 0.21 0.00 0.00 175.17 174.01 1dp0 s GLN 510 N -3.78 0.93 -1.04 8.23 -0.21 0.12 -4.90 119.66 119.01 1dp0 s GLN 510 Ca 0.60 -1.62 -0.08 0.00 0.02 0.00 0.00 55.36 54.29 1dp0 s GLN 510 Cb -0.10 -1.90 -0.12 0.00 1.00 0.00 0.00 33.01 31.89 1dp0 s GLN 510 CO 0.26 -1.15 3.11 -0.35 -2.12 0.00 0.00 175.29 175.03 1dp0 n PRO 511 N 3.92 3.21 -1.52 2.91 -0.04 -1.26 0.22 135.00 142.43 1dp0 n PRO 511 Ca 0.08 -1.96 -0.36 0.00 -0.04 0.00 0.00 63.50 61.22 1dp0 n PRO 511 Cb 0.36 -2.51 0.09 0.00 -0.04 0.00 0.00 33.50 31.41 1dp0 n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1dp0 n PHE 512 N 2.93 1.72 -2.23 0.54 0.99 -1.26 -4.84 117.46 115.31 1dp0 n PHE 512 Ca 0.65 0.42 -0.40 0.00 -0.00 0.00 0.00 57.45 58.12 1dp0 n PHE 512 Cb 0.46 -2.22 -0.02 0.00 -1.00 0.00 0.00 39.48 36.70 1dp0 n PHE 512 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1dp0 s PRO 513 N -3.62 4.29 0.00 -1.08 0.02 -1.26 -2.46 135.00 130.89 1dp0 s PRO 513 Ca 0.80 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1dp0 s PRO 513 Cb -0.35 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1dp0 s PRO 513 CO 0.44 -0.18 0.00 0.00 -0.33 0.00 0.00 177.00 176.93 1dp0 n ALA 514 N 0.60 0.00 -3.13 -1.55 0.00 -1.26 -4.53 120.51 110.64 1dp0 n ALA 514 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1dp0 n ALA 514 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 1dp0 n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1dp0 n VAL 515 N 0.00 1.55 -1.25 0.00 0.24 -1.24 -4.82 118.33 112.82 1dp0 n VAL 515 Ca 0.00 -5.04 -0.32 0.00 -2.04 0.00 0.00 64.34 56.93 1dp0 n VAL 515 Cb 0.00 -1.26 0.10 0.00 -1.47 0.00 0.00 33.84 31.22 1dp0 n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1dp0 s PRO 516 N -2.72 1.98 -0.65 7.34 0.04 -1.03 -4.56 135.00 135.39 1dp0 s PRO 516 Ca 0.43 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1dp0 s PRO 516 Cb 0.26 -1.84 0.17 0.00 0.04 0.00 0.00 34.50 33.13 1dp0 s PRO 516 CO -0.10 -1.91 0.47 0.15 0.04 0.00 0.00 177.00 175.66 1dp0 s LYS 517 N -4.37 2.65 0.72 4.56 1.02 0.13 -4.87 119.74 119.57 1dp0 s LYS 517 Ca 0.68 -2.59 -0.14 0.00 0.02 0.00 0.00 55.97 53.95 1dp0 s LYS 517 Cb -0.23 -3.77 0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1dp0 s LYS 517 CO 0.50 -1.18 1.13 -1.58 -0.92 0.00 0.00 175.35 173.30 1dp0 s TRP 518 N -0.16 2.42 0.31 3.18 0.52 -1.26 -0.70 118.94 123.25 1dp0 s TRP 518 Ca 0.18 1.58 -0.27 0.00 0.02 0.00 0.00 56.10 57.60 1dp0 s TRP 518 Cb -0.19 -3.22 -0.14 0.00 -1.15 0.00 0.00 33.47 28.77 1dp0 s TRP 518 CO -0.04 -1.98 0.97 0.45 0.02 0.00 0.00 176.95 176.38 1dp0 n SER 519 N -2.84 1.13 0.09 2.95 2.88 -1.25 -4.43 113.62 112.16 1dp0 n SER 519 Ca 0.11 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.81 1dp0 n SER 519 Cb 0.52 -1.28 0.34 0.00 -0.75 0.00 0.00 64.21 63.04 1dp0 n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1dp0 h ILE 520 N 1.86 1.20 -0.54 2.46 3.07 -1.17 0.32 117.51 124.71 1dp0 h ILE 520 Ca -0.40 -0.90 -0.10 0.00 1.55 0.00 0.00 64.86 65.02 1dp0 h ILE 520 Cb 1.35 1.23 -0.02 0.00 -0.27 0.00 0.00 36.82 39.11 1dp0 h ILE 520 CO 0.60 0.28 -0.06 0.11 -1.05 0.00 0.00 178.15 178.03 1dp0 h LYS 521 N 0.28 0.97 -0.02 0.16 1.57 -1.84 -3.05 116.57 114.64 1dp0 h LYS 521 Ca 0.05 -0.32 -0.21 0.00 -1.87 0.00 0.00 60.65 58.31 1dp0 h LYS 521 Cb 0.44 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1dp0 h LYS 521 CO 0.03 0.99 -0.87 -0.22 -0.57 0.00 0.00 179.45 178.81 1dp0 h LYS 522 N 0.88 0.35 -0.65 3.15 3.64 -1.67 -3.30 116.57 118.97 1dp0 h LYS 522 Ca 0.15 -0.35 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1dp0 h LYS 522 Cb 0.59 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 1dp0 h LYS 522 CO 0.04 1.03 0.36 2.35 -2.27 0.00 0.00 179.45 180.96 1dp0 h TRP 523 N 0.21 0.67 -0.35 1.91 2.91 -0.86 -2.15 115.95 118.30 1dp0 h TRP 523 Ca -0.06 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.07 1dp0 h TRP 523 Cb 1.48 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.91 1dp0 h TRP 523 CO 0.05 0.33 0.24 -0.07 -1.03 0.00 0.00 178.44 177.96 1dp0 h LEU 524 N 0.68 0.09 -3.05 0.65 3.38 -1.62 -2.69 115.31 112.75 1dp0 h LEU 524 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1dp0 h LEU 524 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1dp0 h LEU 524 CO -0.17 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 176.87 1dp0 n SER 525 N -4.46 4.02 -4.72 -0.43 3.41 -0.82 -4.53 113.62 106.10 1dp0 n SER 525 Ca 0.05 -2.38 -0.38 0.00 -0.26 0.00 0.00 58.87 55.90 1dp0 n SER 525 Cb 0.35 -0.47 0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1dp0 n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dp0 n LEU 526 N 0.72 5.52 -4.66 1.04 4.77 -1.02 -4.76 117.00 118.61 1dp0 n LEU 526 Ca 0.21 0.91 -0.57 0.00 -0.03 0.00 0.00 56.01 56.53 1dp0 n LEU 526 Cb 0.73 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1dp0 n LEU 526 CO 0.17 -0.86 1.09 -2.65 -1.33 0.00 0.00 177.39 173.81 1dp0 n PRO 527 N -1.32 0.87 -0.01 3.23 -0.02 -1.26 -0.20 135.00 136.29 1dp0 n PRO 527 Ca 0.13 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1dp0 n PRO 527 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1dp0 n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dp0 n GLY 528 N 3.35 2.41 3.76 -1.23 0.00 -1.26 -5.02 105.19 107.19 1dp0 n GLY 528 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1dp0 n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dp0 s GLU 529 N -0.19 4.72 0.00 1.61 2.56 0.72 -4.94 118.70 123.18 1dp0 s GLU 529 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.32 1dp0 s GLU 529 Cb 0.00 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.84 1dp0 s GLU 529 CO 0.00 0.50 0.04 0.25 -0.56 0.00 0.00 175.26 175.49 1dp0 n THR 530 N 1.71 0.00 -1.79 -1.70 -2.24 -1.26 -4.77 114.28 104.22 1dp0 n THR 530 Ca -0.03 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1dp0 n THR 530 Cb 0.48 1.85 0.02 0.00 -2.10 0.00 0.00 70.33 70.58 1dp0 n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dp0 s ARG 531 N -0.01 3.30 0.70 -0.78 0.52 -1.26 -4.04 118.95 117.39 1dp0 s ARG 531 Ca 0.00 0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 55.99 1dp0 s ARG 531 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.45 1dp0 s ARG 531 CO 0.00 -0.81 1.07 -1.25 0.02 0.00 0.00 175.30 174.34 1dp0 s PRO 532 N -4.93 2.78 -0.15 3.54 0.04 -0.98 -4.78 135.00 130.51 1dp0 s PRO 532 Ca 0.57 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1dp0 s PRO 532 Cb -0.13 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1dp0 s PRO 532 CO 0.51 -1.23 -0.15 -1.17 0.04 0.00 0.00 177.00 175.00 1dp0 s LEU 533 N -5.45 1.75 -0.11 -3.56 0.20 -0.24 -0.66 118.68 110.61 1dp0 s LEU 533 Ca 0.60 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.90 1dp0 s LEU 533 Cb -0.16 -1.22 0.04 0.00 -0.43 0.00 0.00 46.19 44.42 1dp0 s LEU 533 CO 0.51 -0.04 0.02 -0.63 -0.29 0.00 0.00 176.35 175.92 1dp0 s ILE 534 N 1.43 0.39 0.15 6.68 1.01 -0.46 -1.13 121.20 129.27 1dp0 s ILE 534 Ca 0.04 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 1dp0 s ILE 534 Cb -0.13 -0.67 -0.09 0.00 0.01 0.00 0.00 42.46 41.58 1dp0 s ILE 534 CO -0.11 0.10 1.50 -0.76 0.00 0.00 0.00 174.94 175.68 1dp0 s LEU 535 N 1.95 4.37 0.40 2.97 1.02 -0.56 -4.09 118.68 124.75 1dp0 s LEU 535 Ca 0.03 2.51 0.22 0.00 0.02 0.00 0.00 54.13 56.91 1dp0 s LEU 535 Cb -0.14 -3.59 0.63 0.00 0.02 0.00 0.00 46.19 43.11 1dp0 s LEU 535 CO -0.06 -0.76 1.70 0.00 0.02 0.00 0.00 176.35 177.25 1dp0 s GLU 537 N -3.39 0.33 0.23 0.00 2.02 -1.22 -4.32 118.70 112.35 1dp0 s GLU 537 Ca 0.03 0.56 -0.17 0.00 0.02 0.00 0.00 54.97 55.40 1dp0 s GLU 537 Cb 0.09 0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1dp0 s GLU 537 CO 0.66 -0.11 0.56 1.52 0.02 0.00 0.00 175.26 177.91 1dp0 s TYR 538 N 0.80 0.00 -0.85 1.61 -0.85 -0.88 -0.31 117.35 116.87 1dp0 s TYR 538 Ca -0.05 -0.38 -0.04 0.00 -0.52 0.00 0.00 57.07 56.09 1dp0 s TYR 538 Cb -0.06 0.41 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 1dp0 s TYR 538 CO -0.06 -1.02 0.73 0.00 -1.52 0.00 0.00 175.55 173.69 1dp0 n ALA 539 N -0.38 -2.55 -1.94 9.51 0.00 -1.26 -1.45 120.51 122.44 1dp0 n ALA 539 Ca -0.06 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1dp0 n ALA 539 Cb 0.61 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 1dp0 n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1dp0 s HIS 540 N -3.12 1.67 -0.22 0.00 2.46 -0.52 -3.75 115.29 111.81 1dp0 s HIS 540 Ca 0.13 0.71 -0.03 0.00 0.47 0.00 0.00 55.06 56.34 1dp0 s HIS 540 Cb -0.03 -4.07 0.02 0.00 -0.13 0.00 0.00 32.58 28.37 1dp0 s HIS 540 CO 0.78 -2.93 2.59 0.00 -2.47 0.00 0.00 174.74 172.71 1dp0 n ALA 541 N 11.21 5.55 -2.60 1.58 0.00 0.66 -4.38 120.51 132.53 1dp0 n ALA 541 Ca 0.24 -1.75 -0.42 0.00 0.00 0.00 0.00 53.44 51.51 1dp0 n ALA 541 Cb 0.48 -1.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1dp0 n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1dp0 s MET 542 N -0.79 3.83 4.55 0.00 0.00 -1.26 -3.49 119.30 122.14 1dp0 s MET 542 Ca 0.41 0.48 0.00 0.00 0.00 0.00 0.00 55.69 56.58 1dp0 s MET 542 Cb 0.25 -3.79 0.00 0.00 0.00 0.00 0.00 34.83 31.29 1dp0 s MET 542 CO -0.06 -0.87 0.00 0.41 0.00 0.00 0.00 175.02 174.50 1dp0 n GLY 543 N 4.40 1.39 3.55 2.11 0.00 -1.26 -4.22 105.19 111.17 1dp0 n GLY 543 Ca 0.05 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1dp0 n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dp0 s ASN 544 N -4.00 6.27 0.00 1.61 3.84 -1.26 -4.88 114.94 116.51 1dp0 s ASN 544 Ca 0.00 -0.77 0.00 0.00 0.21 0.00 0.00 52.86 52.30 1dp0 s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1dp0 s ASN 544 CO 0.00 -1.73 0.00 -0.24 -2.79 0.00 0.00 177.10 172.34 1dp0 n SER 545 N 9.22 0.00 0.00 -4.21 2.88 -1.26 -4.75 113.62 115.49 1dp0 n SER 545 Ca 0.12 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1dp0 n SER 545 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1dp0 n SER 545 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1dp0 n LEU 546 N 0.00 0.00 -4.74 2.46 4.32 -1.20 -4.77 117.00 113.06 1dp0 n LEU 546 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 1dp0 n LEU 546 Cb 0.00 -0.50 -0.02 0.00 -1.62 0.00 0.00 43.42 41.28 1dp0 n LEU 546 CO 0.00 0.00 1.14 -0.83 -1.22 0.00 0.00 177.39 176.48 1dp0 s GLY 547 N -2.43 2.21 0.00 -0.72 0.00 0.44 -2.16 107.32 104.66 1dp0 s GLY 547 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.09 1dp0 s GLY 547 CO 0.00 2.36 0.00 0.61 0.00 0.00 0.00 173.10 176.07 1dp0 n GLY 548 N 2.37 0.73 0.37 0.20 0.00 0.13 -4.12 105.19 104.86 1dp0 n GLY 548 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1dp0 n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dp0 h PHE 549 N 0.00 1.21 0.00 1.61 3.57 -1.60 -1.95 116.94 119.77 1dp0 h PHE 549 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1dp0 h PHE 549 Cb 0.00 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 38.33 1dp0 h PHE 549 CO 0.00 0.76 -0.12 0.00 -2.23 0.00 0.00 178.31 176.72 1dp0 h ALA 550 N 1.40 1.29 -0.43 2.41 0.00 -1.85 -2.03 119.26 120.06 1dp0 h ALA 550 Ca 0.36 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1dp0 h ALA 550 Cb -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1dp0 h ALA 550 CO -0.08 0.15 0.06 -0.22 0.00 0.00 0.00 179.25 179.16 1dp0 h LYS 551 N 0.00 0.65 -0.17 0.00 3.64 -1.74 -1.25 116.57 117.70 1dp0 h LYS 551 Ca -0.00 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1dp0 h LYS 551 Cb 0.33 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1dp0 h LYS 551 CO 0.02 0.63 -0.02 1.88 -2.27 0.00 0.00 179.45 179.68 1dp0 h TYR 552 N 0.63 0.34 -0.32 1.91 -1.99 -1.40 -2.86 116.97 113.28 1dp0 h TYR 552 Ca 0.14 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 1dp0 h TYR 552 Cb 0.30 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 1dp0 h TYR 552 CO 0.01 0.55 -0.10 -1.49 -0.00 0.00 0.00 178.16 177.13 1dp0 h TRP 553 N 0.03 0.58 -0.41 4.88 4.06 -1.43 0.45 115.95 124.10 1dp0 h TRP 553 Ca 0.04 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.83 1dp0 h TRP 553 Cb 0.43 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1dp0 h TRP 553 CO 0.04 0.63 -0.08 0.37 -3.56 0.00 0.00 178.44 175.85 1dp0 h GLN 554 N 0.50 0.72 -0.22 0.49 -0.00 -1.23 -1.61 115.11 113.76 1dp0 h GLN 554 Ca 0.09 -0.22 -0.08 0.00 -0.00 0.00 0.00 58.65 58.45 1dp0 h GLN 554 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.89 1dp0 h GLN 554 CO 0.03 0.78 -0.19 0.00 0.00 0.00 0.00 178.83 179.45 1dp0 h ALA 555 N 1.26 0.32 -0.84 3.38 0.00 -1.09 -1.76 119.26 120.54 1dp0 h ALA 555 Ca 0.12 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1dp0 h ALA 555 Cb 0.52 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1dp0 h ALA 555 CO 0.03 0.24 0.53 0.74 0.00 0.00 0.00 179.25 180.79 1dp0 h PHE 556 N 0.21 0.98 -0.03 0.00 0.05 -0.75 -0.51 116.94 116.89 1dp0 h PHE 556 Ca 0.04 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 61.70 1dp0 h PHE 556 Cb 0.72 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 1dp0 h PHE 556 CO 0.07 0.53 -0.69 0.00 -0.18 0.00 0.00 178.31 178.05 1dp0 h ARG 557 N 0.99 0.16 0.06 1.51 3.08 -1.20 -3.31 114.38 115.67 1dp0 h ARG 557 Ca 0.35 -0.13 -0.27 0.00 0.07 0.00 0.00 59.98 60.00 1dp0 h ARG 557 Cb 0.09 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.18 1dp0 h ARG 557 CO -0.14 0.78 -1.11 0.37 -1.07 0.00 0.00 179.97 178.80 1dp0 h GLN 558 N 0.11 0.54 -4.99 0.04 4.15 -0.70 -3.44 115.11 110.81 1dp0 h GLN 558 Ca -0.02 -0.66 -0.64 0.00 0.77 0.00 0.00 58.65 58.11 1dp0 h GLN 558 Cb 1.22 0.20 -0.20 0.00 0.21 0.00 0.00 27.48 28.92 1dp0 h GLN 558 CO 0.10 1.27 -0.58 0.71 -1.93 0.00 0.00 178.83 178.40 1dp0 s TYR 559 N -3.11 3.16 0.22 3.99 1.51 -0.25 -4.99 117.35 117.87 1dp0 s TYR 559 Ca -0.08 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 55.72 1dp0 s TYR 559 Cb 0.07 -2.25 0.18 0.00 -0.11 0.00 0.00 41.96 39.85 1dp0 s TYR 559 CO 0.91 -0.21 1.88 -1.35 -1.11 0.00 0.00 175.55 175.67 1dp0 h PRO 560 N 8.00 1.00 0.00 -1.71 0.11 -1.85 -1.39 132.00 136.14 1dp0 h PRO 560 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1dp0 h PRO 560 Cb 1.18 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1dp0 h PRO 560 CO 0.59 0.66 0.00 0.54 -0.21 0.00 0.00 178.00 179.58 1dp0 n ARG 561 N -4.56 0.42 -2.82 1.05 1.74 -1.26 -4.36 116.66 106.87 1dp0 n ARG 561 Ca 0.08 0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 1dp0 n ARG 561 Cb 0.04 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 1dp0 n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1dp0 s LEU 562 N -2.53 4.19 -0.30 0.55 1.43 -0.53 -1.08 118.68 120.42 1dp0 s LEU 562 Ca 0.27 -0.84 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1dp0 s LEU 562 Cb 0.18 -2.49 0.70 0.00 0.03 0.00 0.00 46.19 44.61 1dp0 s LEU 562 CO 0.40 -1.46 1.73 0.00 0.23 0.00 0.00 176.35 177.25 1dp0 n GLN 563 N 7.89 3.41 0.00 1.70 6.02 -0.28 -4.65 117.38 131.47 1dp0 n GLN 563 Ca -0.02 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.89 1dp0 n GLN 563 Cb 0.46 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.59 1dp0 n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dp0 n GLY 564 N -0.32 -0.52 0.00 1.08 0.00 -1.26 -0.04 105.19 104.13 1dp0 n GLY 564 Ca 0.38 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1dp0 n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 565 N 0.00 -0.95 3.12 -0.02 0.00 -0.80 -1.49 105.19 105.05 1dp0 n GLY 565 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1dp0 n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dp0 s PHE 566 N -2.00 3.00 0.50 1.61 0.40 -0.46 -1.02 117.98 120.01 1dp0 s PHE 566 Ca 0.00 -1.86 -0.23 0.00 -0.60 0.00 0.00 56.93 54.23 1dp0 s PHE 566 Cb 0.00 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.52 1dp0 s PHE 566 CO 0.00 -0.82 1.38 0.08 0.70 0.00 0.00 175.22 176.56 1dp0 s VAL 567 N 1.23 2.11 -0.38 -0.44 1.01 -0.36 -2.08 120.40 121.49 1dp0 s VAL 567 Ca -0.01 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1dp0 s VAL 567 Cb -0.16 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1dp0 s VAL 567 CO -0.09 0.01 0.19 0.86 0.00 0.00 0.00 175.10 176.07 1dp0 s TRP 568 N -1.26 3.32 0.15 5.22 -0.11 -0.53 -0.46 118.94 125.26 1dp0 s TRP 568 Ca 0.66 -1.52 -0.02 0.00 1.22 0.00 0.00 56.10 56.45 1dp0 s TRP 568 Cb -0.41 -2.68 0.01 0.00 -1.50 0.00 0.00 33.47 28.88 1dp0 s TRP 568 CO 0.51 -0.80 0.22 -0.40 -4.62 0.00 0.00 176.95 171.87 1dp0 n ASP 569 N 4.86 -0.63 0.05 5.86 5.75 -0.34 -0.24 116.55 131.85 1dp0 n ASP 569 Ca -0.10 -1.75 -0.12 0.00 -0.01 0.00 0.00 54.79 52.81 1dp0 n ASP 569 Cb 0.44 1.14 -0.09 0.00 -1.03 0.00 0.00 41.12 41.58 1dp0 n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1dp0 h TRP 570 N 1.41 -0.17 -3.73 2.11 -0.00 -0.97 -1.60 115.95 113.00 1dp0 h TRP 570 Ca -0.12 -0.00 -0.52 0.00 -0.00 0.00 0.00 58.89 58.25 1dp0 h TRP 570 Cb 0.49 0.06 -0.32 0.00 -0.00 0.00 0.00 29.16 29.39 1dp0 h TRP 570 CO 0.00 0.29 -0.82 0.54 -0.00 0.00 0.00 178.44 178.45 1dp0 s VAL 571 N -3.77 1.20 0.34 2.65 0.11 -1.26 -0.92 120.40 118.73 1dp0 s VAL 571 Ca -0.14 -0.57 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 1dp0 s VAL 571 Cb 0.01 -1.05 -0.12 0.00 -1.53 0.00 0.00 36.38 33.68 1dp0 s VAL 571 CO 0.55 0.36 1.39 0.47 -3.33 0.00 0.00 175.10 174.54 1dp0 n ASP 572 N 3.38 3.17 -3.38 3.54 8.00 -0.35 -4.40 116.55 126.52 1dp0 n ASP 572 Ca -0.20 1.20 -0.39 0.00 0.71 0.00 0.00 54.79 56.12 1dp0 n ASP 572 Cb 0.53 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.09 1dp0 n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dp0 n GLN 573 N 0.86 4.44 -3.21 -1.24 6.02 0.05 -4.02 117.38 120.28 1dp0 n GLN 573 Ca 0.05 -3.52 -0.29 0.00 -0.01 0.00 0.00 57.00 53.22 1dp0 n GLN 573 Cb 0.36 -2.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.05 1dp0 n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1dp0 s SER 574 N 0.07 6.48 0.07 1.08 1.04 -1.26 -4.72 113.70 116.47 1dp0 s SER 574 Ca 0.52 0.85 0.09 0.00 0.48 0.00 0.00 55.95 57.90 1dp0 s SER 574 Cb 0.21 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 1dp0 s SER 574 CO -0.12 -0.24 -0.24 -0.76 0.98 0.00 0.00 173.24 172.85 1dp0 s LEU 575 N -3.57 2.22 0.09 2.42 1.43 -0.85 -4.28 118.68 116.15 1dp0 s LEU 575 Ca 0.46 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 1dp0 s LEU 575 Cb -0.11 -1.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 1dp0 s LEU 575 CO 0.29 0.19 0.77 -0.63 0.23 0.00 0.00 176.35 177.20 1dp0 s ILE 576 N -0.92 4.60 0.28 -0.59 -1.09 -0.59 0.36 121.20 123.26 1dp0 s ILE 576 Ca 0.10 1.65 0.09 0.00 -2.23 0.00 0.00 60.65 60.26 1dp0 s ILE 576 Cb -0.10 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.61 1dp0 s ILE 576 CO 0.03 0.43 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.50 1dp0 s LYS 577 N -0.49 1.62 -0.10 2.79 1.02 -0.03 -4.92 119.74 119.63 1dp0 s LYS 577 Ca 0.37 -1.78 0.03 0.00 0.02 0.00 0.00 55.97 54.61 1dp0 s LYS 577 Cb -0.21 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 1dp0 s LYS 577 CO 0.24 0.18 -0.21 0.71 -0.92 0.00 0.00 175.35 175.35 1dp0 s TYR 578 N -2.75 2.61 0.92 3.18 1.51 -1.26 -0.57 117.35 121.00 1dp0 s TYR 578 Ca 0.29 -0.88 -0.14 0.00 -1.01 0.00 0.00 57.07 55.33 1dp0 s TYR 578 Cb -0.00 -1.73 0.19 0.00 -0.11 0.00 0.00 41.96 40.31 1dp0 s TYR 578 CO 0.13 -0.33 1.27 0.16 -1.11 0.00 0.00 175.55 175.68 1dp0 s ASP 579 N 0.25 3.32 0.41 2.29 1.47 -0.16 -4.85 116.67 119.39 1dp0 s ASP 579 Ca -0.14 0.18 0.18 0.00 1.18 0.00 0.00 52.55 53.95 1dp0 s ASP 579 Cb -0.17 -0.28 1.09 0.00 -0.34 0.00 0.00 42.92 43.22 1dp0 s ASP 579 CO 0.07 -2.59 1.81 -0.33 0.68 0.00 0.00 175.17 174.81 1dp0 h GLU 580 N -1.47 0.40 -0.00 2.11 4.39 -2.01 0.46 114.58 118.45 1dp0 h GLU 580 Ca -0.43 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1dp0 h GLU 580 Cb 1.24 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1dp0 h GLU 580 CO 0.39 0.26 -0.00 0.09 -1.16 0.00 0.00 179.01 178.59 1dp0 n ASN 581 N -4.56 0.01 0.00 1.42 3.02 -1.26 -4.90 115.26 108.98 1dp0 n ASN 581 Ca 0.23 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1dp0 n ASN 581 Cb 0.80 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1dp0 n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dp0 n GLY 582 N 1.30 0.60 3.78 7.41 0.00 0.16 -5.05 105.19 113.39 1dp0 n GLY 582 Ca 0.14 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1dp0 n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dp0 s ASN 583 N -2.35 6.95 0.56 1.61 0.01 -1.26 -4.72 114.94 115.74 1dp0 s ASN 583 Ca 0.00 1.13 -0.18 0.00 -0.71 0.00 0.00 52.86 53.10 1dp0 s ASN 583 Cb 0.00 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1dp0 s ASN 583 CO 0.00 0.15 1.10 -2.16 -1.51 0.00 0.00 177.10 174.68 1dp0 s PRO 584 N -0.38 3.35 -0.07 -0.60 0.04 -1.26 -0.99 135.00 135.08 1dp0 s PRO 584 Ca 0.30 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1dp0 s PRO 584 Cb -0.18 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1dp0 s PRO 584 CO 0.17 -0.83 0.50 1.67 0.04 0.00 0.00 177.00 178.55 1dp0 s TRP 585 N -1.97 -0.45 -0.19 0.56 1.48 0.27 -4.91 118.94 113.73 1dp0 s TRP 585 Ca 0.70 0.84 -0.29 0.00 -1.06 0.00 0.00 56.10 56.28 1dp0 s TRP 585 Cb -0.21 0.24 -0.00 0.00 -1.16 0.00 0.00 33.47 32.34 1dp0 s TRP 585 CO 0.29 -0.45 1.12 -1.12 -4.06 0.00 0.00 176.95 172.73 1dp0 s SER 586 N -0.95 7.05 0.23 -2.66 0.01 -1.26 -0.85 113.70 115.27 1dp0 s SER 586 Ca -0.10 1.52 0.08 0.00 1.31 0.00 0.00 55.95 58.76 1dp0 s SER 586 Cb -0.03 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1dp0 s SER 586 CO 0.06 -0.68 0.05 0.00 0.41 0.00 0.00 173.24 173.08 1dp0 s ALA 587 N 3.17 3.29 0.00 1.44 0.00 0.16 -4.91 121.76 124.91 1dp0 s ALA 587 Ca 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1dp0 s ALA 587 Cb -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1dp0 s ALA 587 CO 0.10 0.35 0.00 2.48 0.00 0.00 0.00 175.76 178.69 1dp0 n TYR 588 N -0.68 0.00 -1.69 0.00 0.18 -1.26 -2.01 117.16 111.71 1dp0 n TYR 588 Ca -0.08 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.26 1dp0 n TYR 588 Cb 0.57 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.51 1dp0 n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1dp0 n GLY 589 N 2.07 0.84 2.31 -7.48 0.00 -0.63 -1.45 105.19 100.85 1dp0 n GLY 589 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1dp0 n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 590 N 1.91 2.62 0.00 -0.02 0.00 -1.26 -4.00 105.19 104.44 1dp0 n GLY 590 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1dp0 n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dp0 n ASP 591 N 0.00 0.00 -0.11 1.61 8.00 -0.53 -2.05 116.55 123.46 1dp0 n ASP 591 Ca 0.00 -0.52 0.09 0.00 0.71 0.00 0.00 54.79 55.07 1dp0 n ASP 591 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1dp0 n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1dp0 n PHE 592 N -0.96 0.05 -0.36 1.24 3.01 -1.26 -4.92 117.46 114.25 1dp0 n PHE 592 Ca 0.11 -0.96 0.00 0.00 1.01 0.00 0.00 57.45 57.60 1dp0 n PHE 592 Cb 0.05 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1dp0 n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dp0 n GLY 593 N -1.33 1.47 3.71 1.37 0.00 -0.87 -4.85 105.19 104.68 1dp0 n GLY 593 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1dp0 n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dp0 s ASP 594 N -3.20 6.66 -0.25 1.61 -4.77 -1.26 -4.98 116.67 110.47 1dp0 s ASP 594 Ca 0.00 2.48 -0.26 0.00 -3.30 0.00 0.00 52.55 51.48 1dp0 s ASP 594 Cb 0.00 -2.58 0.08 0.00 -1.09 0.00 0.00 42.92 39.33 1dp0 s ASP 594 CO 0.00 -0.81 0.77 0.28 0.70 0.00 0.00 175.17 176.11 1dp0 s THR 595 N 1.73 0.00 0.90 2.11 -1.32 -1.26 -4.03 115.64 113.77 1dp0 s THR 595 Ca 0.70 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.07 1dp0 s THR 595 Cb -0.40 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.72 1dp0 s THR 595 CO 0.31 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 170.97 1dp0 s PRO 596 N 0.21 1.18 0.21 7.08 0.02 -1.26 -5.15 135.00 137.29 1dp0 s PRO 596 Ca -0.00 1.03 -0.11 0.00 0.02 0.00 0.00 61.00 61.94 1dp0 s PRO 596 Cb -0.05 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 1dp0 s PRO 596 CO 0.01 -2.35 0.38 0.54 -0.33 0.00 0.00 177.00 175.25 1dp0 s ASN 597 N -3.18 -0.04 -0.35 2.53 2.20 -1.26 -4.74 114.94 110.11 1dp0 s ASN 597 Ca 0.64 -0.91 0.07 0.00 -0.94 0.00 0.00 52.86 51.72 1dp0 s ASN 597 Cb -0.19 0.51 0.49 0.00 -2.00 0.00 0.00 41.25 40.06 1dp0 s ASN 597 CO 0.58 -1.02 1.49 0.47 -2.94 0.00 0.00 177.10 175.67 1dp0 n ASP 598 N -0.31 3.74 0.00 3.54 8.00 -0.51 -4.95 116.55 126.06 1dp0 n ASP 598 Ca -0.04 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.67 1dp0 n ASP 598 Cb 0.63 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1dp0 n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1dp0 n ARG 599 N -1.00 0.00 0.00 -1.24 1.85 -1.26 -1.23 116.66 113.78 1dp0 n ARG 599 Ca 0.40 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.34 1dp0 n ARG 599 Cb 0.98 0.00 0.55 0.00 -1.05 0.00 0.00 32.46 32.94 1dp0 n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1dp0 n GLN 600 N 14.00 0.99 0.01 2.89 0.00 -1.26 -1.60 117.38 132.42 1dp0 n GLN 600 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.00 57.03 1dp0 n GLN 600 Cb 0.00 -1.29 0.14 0.00 0.00 0.00 0.00 30.24 29.08 1dp0 n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1dp0 n PHE 601 N -0.79 0.07 1.48 2.61 3.01 -0.36 -1.04 117.46 122.44 1dp0 n PHE 601 Ca 0.14 0.03 0.15 0.00 1.01 0.00 0.00 57.45 58.78 1dp0 n PHE 601 Cb 0.06 -0.56 0.70 0.00 -0.01 0.00 0.00 39.48 39.68 1dp0 n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dp0 s MET 603 N -2.46 2.27 -0.05 0.00 -1.94 -0.20 -0.77 119.30 116.14 1dp0 s MET 603 Ca 0.31 -1.74 0.11 0.00 -1.71 0.00 0.00 55.69 52.66 1dp0 s MET 603 Cb 0.20 -3.72 0.21 0.00 2.01 0.00 0.00 34.83 33.53 1dp0 s MET 603 CO 0.46 -1.09 1.10 0.09 -0.01 0.00 0.00 175.02 175.56 1dp0 n ASN 604 N 4.75 0.93 -4.90 3.03 5.03 -1.26 -4.24 115.26 118.61 1dp0 n ASN 604 Ca -0.06 -2.45 -0.28 0.00 0.87 0.00 0.00 54.58 52.66 1dp0 n ASN 604 Cb 0.41 -0.31 -0.02 0.00 -1.02 0.00 0.00 39.78 38.85 1dp0 n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1dp0 s GLY 605 N -1.89 1.69 0.48 7.41 0.00 -1.23 -1.20 107.32 112.58 1dp0 s GLY 605 Ca 0.19 -0.42 0.27 0.00 0.00 0.00 0.00 44.72 44.76 1dp0 s GLY 605 CO -0.04 -0.26 1.84 1.41 0.00 0.00 0.00 173.10 176.06 1dp0 h LEU 606 N 0.78 0.00 -8.55 0.66 3.38 0.01 -3.43 115.31 108.17 1dp0 h LEU 606 Ca -0.47 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.08 1dp0 h LEU 606 Cb 1.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 1dp0 h LEU 606 CO 0.63 0.12 -0.77 0.68 0.09 0.00 0.00 178.44 179.19 1dp0 s VAL 607 N -3.57 1.28 0.92 1.22 -7.23 -0.28 -0.43 120.40 112.31 1dp0 s VAL 607 Ca 0.02 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1dp0 s VAL 607 Cb 0.09 -1.40 0.14 0.00 0.56 0.00 0.00 36.38 35.78 1dp0 s VAL 607 CO 0.61 -0.34 1.09 -0.36 -0.31 0.00 0.00 175.10 175.79 1dp0 s PHE 608 N -1.83 2.15 0.56 2.82 0.40 0.86 -1.21 117.98 121.74 1dp0 s PHE 608 Ca 0.05 1.32 0.26 0.00 -0.60 0.00 0.00 56.93 57.96 1dp0 s PHE 608 Cb -0.07 -3.17 1.55 0.00 0.51 0.00 0.00 43.02 41.85 1dp0 s PHE 608 CO 0.03 -2.57 2.11 0.00 0.70 0.00 0.00 175.22 175.49 1dp0 h ALA 609 N -1.68 1.95 -0.39 5.36 0.00 -1.89 0.75 119.26 123.36 1dp0 h ALA 609 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1dp0 h ALA 609 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1dp0 h ALA 609 CO 0.53 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1dp0 n ASP 610 N -4.06 3.37 0.00 0.00 5.75 -1.26 -4.52 116.55 115.83 1dp0 n ASP 610 Ca 0.02 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1dp0 n ASP 610 Cb 0.31 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1dp0 n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dp0 n ARG 611 N 0.55 -0.09 -2.35 0.11 3.00 0.26 -5.01 116.66 113.13 1dp0 n ARG 611 Ca 0.16 0.02 -0.41 0.00 -0.01 0.00 0.00 57.85 57.62 1dp0 n ARG 611 Cb 0.67 -2.95 -0.03 0.00 0.00 0.00 0.00 32.46 30.15 1dp0 n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1dp0 s THR 612 N -2.64 3.30 0.43 0.55 2.01 -1.26 -4.75 115.64 113.29 1dp0 s THR 612 Ca 0.00 1.23 -0.24 0.00 0.31 0.00 0.00 61.69 63.00 1dp0 s THR 612 Cb 0.00 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.64 1dp0 s THR 612 CO 0.00 0.26 1.13 -2.84 -0.69 0.00 0.00 174.62 172.49 1dp0 s PRO 613 N -1.15 3.92 0.56 4.92 0.02 -1.26 -0.09 135.00 141.91 1dp0 s PRO 613 Ca 0.48 1.72 -0.06 0.00 0.02 0.00 0.00 61.00 63.16 1dp0 s PRO 613 Cb -0.34 -2.49 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 1dp0 s PRO 613 CO 0.43 -0.40 0.87 -1.01 -0.33 0.00 0.00 177.00 176.56 1dp0 s HIS 614 N -1.55 3.40 0.47 6.54 3.76 0.43 -4.78 115.29 123.55 1dp0 s HIS 614 Ca 0.61 0.77 0.23 0.00 -0.15 0.00 0.00 55.06 56.52 1dp0 s HIS 614 Cb -0.27 -2.58 1.38 0.00 1.11 0.00 0.00 32.58 32.21 1dp0 s HIS 614 CO 0.33 -0.62 2.09 -1.35 -0.85 0.00 0.00 174.74 174.34 1dp0 h PRO 615 N -0.05 0.00 0.00 8.40 0.11 -1.93 -1.67 132.00 136.86 1dp0 h PRO 615 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1dp0 h PRO 615 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1dp0 h PRO 615 CO 0.61 0.11 -0.04 0.00 -0.21 0.00 0.00 178.00 178.47 1dp0 h ALA 616 N 1.89 1.17 -0.68 -0.75 0.00 -1.86 -2.93 119.26 116.11 1dp0 h ALA 616 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1dp0 h ALA 616 Cb 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1dp0 h ALA 616 CO 0.01 0.05 0.39 1.25 0.00 0.00 0.00 179.25 180.95 1dp0 h LEU 617 N 0.00 0.58 -1.43 0.00 5.85 -1.49 -1.56 115.31 117.27 1dp0 h LEU 617 Ca -0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1dp0 h LEU 617 Cb 0.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1dp0 h LEU 617 CO 0.00 0.38 -0.19 0.00 -0.34 0.00 0.00 178.44 178.29 1dp0 h THR 618 N 0.72 1.18 -0.52 1.05 1.03 -1.71 -0.31 112.91 114.35 1dp0 h THR 618 Ca 0.30 -0.84 -0.07 0.00 -0.01 0.00 0.00 66.41 65.79 1dp0 h THR 618 Cb 0.17 1.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.57 1dp0 h THR 618 CO -0.17 0.25 0.06 -0.08 -0.01 0.00 0.00 175.52 175.57 1dp0 h GLU 619 N 0.12 0.89 -0.52 0.00 4.57 -1.46 -0.64 114.58 117.55 1dp0 h GLU 619 Ca 0.02 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.88 1dp0 h GLU 619 Cb 0.42 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1dp0 h GLU 619 CO 0.03 0.88 0.04 0.00 -1.18 0.00 0.00 179.01 178.78 1dp0 h ALA 620 N 0.97 0.69 -0.47 2.92 0.00 -0.40 -1.89 119.26 121.09 1dp0 h ALA 620 Ca 0.16 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1dp0 h ALA 620 Cb 0.45 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1dp0 h ALA 620 CO 0.02 0.47 0.11 -0.22 0.00 0.00 0.00 179.25 179.63 1dp0 h LYS 621 N 0.76 0.25 -0.22 0.00 3.64 -0.86 -0.89 116.57 119.25 1dp0 h LYS 621 Ca 0.15 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1dp0 h LYS 621 Cb 0.47 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1dp0 h LYS 621 CO 0.02 0.16 -0.19 1.25 -2.27 0.00 0.00 179.45 178.42 1dp0 h HIS 622 N 0.25 0.61 0.00 1.91 2.76 -0.97 -2.95 115.15 116.77 1dp0 h HIS 622 Ca 0.23 -0.18 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1dp0 h HIS 622 Cb 0.28 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1dp0 h HIS 622 CO -0.20 0.85 -0.26 1.96 -1.30 0.00 0.00 177.93 178.98 1dp0 h GLN 623 N 0.20 0.00 -0.51 5.26 1.08 -1.08 -2.43 115.11 117.62 1dp0 h GLN 623 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1dp0 h GLN 623 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1dp0 h GLN 623 CO 0.05 0.26 0.00 1.04 -0.95 0.00 0.00 178.83 179.23 1dp0 n GLN 624 N -3.84 2.14 -1.25 1.46 6.02 -0.36 -4.96 117.38 116.59 1dp0 n GLN 624 Ca -0.02 -1.28 -0.35 0.00 -0.01 0.00 0.00 57.00 55.35 1dp0 n GLN 624 Cb 0.35 -1.48 0.09 0.00 1.02 0.00 0.00 30.24 30.22 1dp0 n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1dp0 n GLN 625 N 0.40 0.34 -0.02 -1.09 6.02 -0.92 -4.86 117.38 117.26 1dp0 n GLN 625 Ca 0.12 0.17 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1dp0 n GLN 625 Cb 0.43 -2.16 0.10 0.00 1.02 0.00 0.00 30.24 29.64 1dp0 n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1dp0 n PHE 626 N -2.72 0.04 -4.56 1.08 3.01 -1.26 -4.87 117.46 108.19 1dp0 n PHE 626 Ca 0.12 -0.02 -0.24 0.00 1.01 0.00 0.00 57.45 58.32 1dp0 n PHE 626 Cb 0.50 -0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.81 1dp0 n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1dp0 s PHE 627 N -1.86 1.36 0.09 1.38 0.40 -1.26 -0.16 117.98 117.92 1dp0 s PHE 627 Ca 0.28 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1dp0 s PHE 627 Cb 0.19 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 1dp0 s PHE 627 CO 0.29 -0.23 -0.00 -0.65 0.70 0.00 0.00 175.22 175.32 1dp0 s GLN 628 N 0.55 2.53 0.06 0.44 -1.52 -0.27 -4.92 119.66 116.53 1dp0 s GLN 628 Ca -0.12 -0.84 0.05 0.00 -1.95 0.00 0.00 55.36 52.50 1dp0 s GLN 628 Cb -0.14 -2.53 -0.03 0.00 -0.22 0.00 0.00 33.01 30.09 1dp0 s GLN 628 CO 0.03 0.54 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.41 1dp0 s PHE 629 N -1.30 1.16 0.04 0.91 0.40 -1.26 -0.34 117.98 117.60 1dp0 s PHE 629 Ca 0.25 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1dp0 s PHE 629 Cb -0.12 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1dp0 s PHE 629 CO 0.18 0.04 -0.10 1.03 0.70 0.00 0.00 175.22 177.07 1dp0 s ARG 630 N -1.58 0.66 -0.07 0.44 0.52 -0.60 -4.99 118.95 113.32 1dp0 s ARG 630 Ca -0.02 -0.74 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1dp0 s ARG 630 Cb -0.09 -0.55 -0.00 0.00 0.52 0.00 0.00 34.95 34.82 1dp0 s ARG 630 CO 0.02 0.12 -0.22 -1.17 0.02 0.00 0.00 175.30 174.07 1dp0 s LEU 631 N -1.37 2.02 -0.26 2.53 2.96 -1.26 -1.08 118.68 122.22 1dp0 s LEU 631 Ca -0.05 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1dp0 s LEU 631 Cb -0.09 -1.28 0.09 0.00 0.50 0.00 0.00 46.19 45.42 1dp0 s LEU 631 CO 0.01 0.18 0.10 -0.55 -1.32 0.00 0.00 176.35 174.77 1dp0 s SER 632 N 0.10 3.42 1.08 3.68 0.15 0.21 -4.99 113.70 117.35 1dp0 s SER 632 Ca -0.10 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1dp0 s SER 632 Cb -0.15 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1dp0 s SER 632 CO 0.05 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1dp0 n GLY 633 N 5.11 2.26 0.27 9.45 0.00 -1.26 -1.48 105.19 119.54 1dp0 n GLY 633 Ca -0.06 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.62 1dp0 n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLN 634 N 12.17 1.53 -3.65 1.61 0.00 -1.26 -4.96 117.38 122.82 1dp0 n GLN 634 Ca 0.00 -2.73 -0.38 0.00 0.00 0.00 0.00 57.00 53.89 1dp0 n GLN 634 Cb 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 30.24 28.56 1dp0 n GLN 634 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1dp0 s THR 635 N -2.94 4.84 -0.20 -0.39 2.01 -0.55 0.41 115.64 118.83 1dp0 s THR 635 Ca 0.34 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 1dp0 s THR 635 Cb 0.30 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1dp0 s THR 635 CO 0.02 0.20 0.20 -0.63 -0.69 0.00 0.00 174.62 173.73 1dp0 s ILE 636 N 1.68 5.35 -0.24 1.82 1.01 0.27 0.67 121.20 131.75 1dp0 s ILE 636 Ca 0.06 0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 1dp0 s ILE 636 Cb -0.16 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1dp0 s ILE 636 CO 0.08 0.39 0.04 -0.70 0.00 0.00 0.00 174.94 174.75 1dp0 s GLU 637 N 0.60 3.57 -0.21 2.79 2.12 -0.24 0.13 118.70 127.46 1dp0 s GLU 637 Ca 0.11 -0.52 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1dp0 s GLU 637 Cb -0.12 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1dp0 s GLU 637 CO 0.02 -0.20 0.10 0.08 -0.54 0.00 0.00 175.26 174.72 1dp0 s VAL 638 N 1.58 5.00 -0.10 3.70 1.01 0.77 -1.56 120.40 130.81 1dp0 s VAL 638 Ca 0.06 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1dp0 s VAL 638 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1dp0 s VAL 638 CO 0.02 0.41 -0.16 -0.89 0.00 0.00 0.00 175.10 174.48 1dp0 s THR 639 N 0.70 2.83 0.05 3.92 2.01 0.54 -1.81 115.64 123.88 1dp0 s THR 639 Ca 0.05 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 1dp0 s THR 639 Cb -0.13 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 1dp0 s THR 639 CO 0.02 0.55 0.61 -0.55 -0.69 0.00 0.00 174.62 174.55 1dp0 s SER 640 N 0.01 7.07 0.00 3.53 0.15 -0.17 -1.12 113.70 123.17 1dp0 s SER 640 Ca -0.05 1.27 0.20 0.00 0.70 0.00 0.00 55.95 58.07 1dp0 s SER 640 Cb -0.15 -2.38 0.32 0.00 -1.71 0.00 0.00 66.02 62.11 1dp0 s SER 640 CO 0.04 0.20 1.27 -0.62 1.20 0.00 0.00 173.24 175.34 1dp0 n GLU 641 N 2.10 2.20 -2.33 5.44 1.02 0.77 -2.50 120.64 127.35 1dp0 n GLU 641 Ca -0.08 -2.03 -0.36 0.00 -0.02 0.00 0.00 57.16 54.66 1dp0 n GLU 641 Cb 0.51 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1dp0 n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1dp0 s TYR 642 N -1.42 2.92 -0.14 -0.32 1.51 -1.26 -4.80 117.35 113.84 1dp0 s TYR 642 Ca 0.31 1.56 0.17 0.00 -1.01 0.00 0.00 57.07 58.10 1dp0 s TYR 642 Cb 0.19 -3.30 -0.24 0.00 -0.11 0.00 0.00 41.96 38.50 1dp0 s TYR 642 CO 0.27 -1.32 0.35 1.28 -1.11 0.00 0.00 175.55 175.02 1dp0 n LEU 643 N -0.58 0.29 0.00 -1.29 4.77 -1.26 -1.72 117.00 117.20 1dp0 n LEU 643 Ca 0.08 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1dp0 n LEU 643 Cb 0.49 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1dp0 n LEU 643 CO 0.46 0.36 -0.33 0.49 -1.33 0.00 0.00 177.39 177.04 1dp0 n PHE 644 N -2.76 0.00 -4.08 -1.77 3.01 -1.26 -4.86 117.46 105.75 1dp0 n PHE 644 Ca -0.23 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.97 1dp0 n PHE 644 Cb 1.01 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.43 1dp0 n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1dp0 s ARG 645 N -1.37 2.91 0.54 -1.08 1.70 -1.26 -4.85 118.95 115.53 1dp0 s ARG 645 Ca 0.00 -0.86 -0.03 0.00 -0.47 0.00 0.00 55.73 54.37 1dp0 s ARG 645 Cb 0.00 -2.65 0.01 0.00 -0.57 0.00 0.00 34.95 31.74 1dp0 s ARG 645 CO 0.00 0.49 0.80 -1.58 -1.08 0.00 0.00 175.30 173.93 1dp0 s HIS 646 N -1.74 3.20 -1.38 5.89 5.65 -1.26 -3.28 115.29 122.36 1dp0 s HIS 646 Ca 0.31 0.43 -0.11 0.00 0.25 0.00 0.00 55.06 55.94 1dp0 s HIS 646 Cb -0.10 -2.59 0.09 0.00 -1.18 0.00 0.00 32.58 28.80 1dp0 s HIS 646 CO 0.23 -0.66 2.16 -1.13 -0.65 0.00 0.00 174.74 174.69 1dp0 n SER 647 N -2.38 5.28 -0.72 9.88 3.41 -0.93 -4.68 113.62 123.48 1dp0 n SER 647 Ca 0.04 -2.97 0.04 0.00 -0.26 0.00 0.00 58.87 55.72 1dp0 n SER 647 Cb 0.58 -1.54 0.14 0.00 -0.26 0.00 0.00 64.21 63.13 1dp0 n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1dp0 n ASP 648 N 4.42 2.04 -2.87 4.04 5.68 -1.26 -3.72 116.55 124.88 1dp0 n ASP 648 Ca 0.50 -2.13 -0.12 0.00 -0.50 0.00 0.00 54.79 52.54 1dp0 n ASP 648 Cb 0.35 -0.33 0.05 0.00 -1.14 0.00 0.00 41.12 40.05 1dp0 n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1dp0 n ASN 649 N 0.33 -0.82 -3.66 -1.12 5.15 -1.26 -5.05 115.26 108.82 1dp0 n ASN 649 Ca 0.10 -3.18 -0.14 0.00 -0.60 0.00 0.00 54.58 50.76 1dp0 n ASN 649 Cb 0.38 0.69 -0.08 0.00 -0.53 0.00 0.00 39.78 40.24 1dp0 n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1dp0 s GLU 650 N -1.01 0.72 0.08 1.20 8.01 -1.24 -4.20 118.70 122.26 1dp0 s GLU 650 Ca 0.28 0.73 0.02 0.00 0.01 0.00 0.00 54.97 56.02 1dp0 s GLU 650 Cb 0.35 0.35 -0.03 0.00 -4.31 0.00 0.00 34.13 30.48 1dp0 s GLU 650 CO -0.06 -0.11 -0.08 -0.48 0.01 0.00 0.00 175.26 174.55 1dp0 s LEU 651 N 0.12 2.40 -0.22 1.80 0.05 -0.08 -2.77 118.68 119.98 1dp0 s LEU 651 Ca -0.01 -0.81 -0.08 0.00 0.05 0.00 0.00 54.13 53.27 1dp0 s LEU 651 Cb -0.04 -0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 43.91 1dp0 s LEU 651 CO 0.02 -0.33 0.10 -0.22 -0.55 0.00 0.00 176.35 175.36 1dp0 s LEU 652 N -2.43 3.77 -0.13 1.48 2.96 0.20 -1.21 118.68 123.32 1dp0 s LEU 652 Ca 0.03 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1dp0 s LEU 652 Cb -0.02 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1dp0 s LEU 652 CO -0.02 0.06 0.02 -2.28 -1.32 0.00 0.00 176.35 172.81 1dp0 s HIS 653 N 1.04 3.18 0.08 5.38 2.46 0.05 0.12 115.29 127.60 1dp0 s HIS 653 Ca 0.05 0.07 0.07 0.00 0.47 0.00 0.00 55.06 55.72 1dp0 s HIS 653 Cb -0.14 -1.92 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 1dp0 s HIS 653 CO 0.04 0.28 -0.19 1.67 -2.47 0.00 0.00 174.74 174.06 1dp0 s TRP 654 N -0.24 1.66 -0.17 3.88 1.48 0.35 -0.72 118.94 125.18 1dp0 s TRP 654 Ca 0.06 -0.40 -0.13 0.00 -1.06 0.00 0.00 56.10 54.56 1dp0 s TRP 654 Cb -0.12 -0.94 0.05 0.00 -1.16 0.00 0.00 33.47 31.29 1dp0 s TRP 654 CO 0.02 0.14 0.44 0.00 -4.06 0.00 0.00 176.95 173.49 1dp0 s MET 655 N -1.61 0.48 -0.07 3.25 0.23 -0.49 -1.00 119.30 120.08 1dp0 s MET 655 Ca 0.05 0.69 0.04 0.00 -1.03 0.00 0.00 55.69 55.44 1dp0 s MET 655 Cb -0.09 0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.35 1dp0 s MET 655 CO 0.03 -0.09 -0.20 0.08 -2.03 0.00 0.00 175.02 172.81 1dp0 s VAL 656 N 0.64 2.50 0.02 5.16 1.01 -0.30 -0.48 120.40 128.95 1dp0 s VAL 656 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1dp0 s VAL 656 Cb -0.05 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1dp0 s VAL 656 CO -0.04 0.57 -0.01 0.00 0.00 0.00 0.00 175.10 175.62 1dp0 s ALA 657 N -0.19 0.06 -0.37 5.51 0.00 -0.76 -1.34 121.76 124.67 1dp0 s ALA 657 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1dp0 s ALA 657 Cb -0.13 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1dp0 s ALA 657 CO 0.03 -0.17 0.21 -1.17 0.00 0.00 0.00 175.76 174.66 1dp0 s LEU 658 N -1.46 4.69 -1.39 0.00 2.96 0.91 -1.08 118.68 123.31 1dp0 s LEU 658 Ca -0.16 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.73 1dp0 s LEU 658 Cb -0.10 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1dp0 s LEU 658 CO -0.01 -0.37 0.38 0.47 -1.32 0.00 0.00 176.35 175.50 1dp0 n ASP 659 N 5.00 -0.98 0.00 3.68 8.00 -0.60 0.43 116.55 132.09 1dp0 n ASP 659 Ca -0.12 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1dp0 n ASP 659 Cb 0.46 -2.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.03 1dp0 n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dp0 n GLY 660 N -2.13 2.62 3.59 0.44 0.00 -1.26 -4.83 105.19 103.61 1dp0 n GLY 660 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1dp0 n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dp0 s LYS 661 N -0.23 3.85 0.25 1.61 1.02 0.17 -4.69 119.74 121.72 1dp0 s LYS 661 Ca 0.00 0.09 -0.31 0.00 0.02 0.00 0.00 55.97 55.77 1dp0 s LYS 661 Cb 0.00 -3.73 -0.12 0.00 -0.52 0.00 0.00 37.83 33.46 1dp0 s LYS 661 CO 0.00 -0.50 1.58 -2.30 -0.92 0.00 0.00 175.35 173.20 1dp0 n PRO 662 N 5.66 2.52 -0.02 -1.68 -0.02 -1.26 -0.06 135.00 140.14 1dp0 n PRO 662 Ca -0.04 0.90 -0.02 0.00 -2.02 0.00 0.00 63.50 62.31 1dp0 n PRO 662 Cb 0.49 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 1dp0 n PRO 662 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1dp0 n LEU 663 N 2.59 2.50 -3.50 2.45 4.77 -0.45 -4.85 117.00 120.51 1dp0 n LEU 663 Ca 0.11 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1dp0 n LEU 663 Cb 0.34 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1dp0 n LEU 663 CO 0.64 0.47 0.51 0.00 -1.33 0.00 0.00 177.39 177.68 1dp0 s ALA 664 N -2.06 -1.64 0.03 -1.18 0.00 -1.12 -5.00 121.76 110.78 1dp0 s ALA 664 Ca -0.04 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 1dp0 s ALA 664 Cb 0.01 0.72 0.10 0.00 0.00 0.00 0.00 23.12 23.95 1dp0 s ALA 664 CO 0.07 -0.78 1.00 -1.54 0.00 0.00 0.00 175.76 174.51 1dp0 s SER 665 N -2.69 -0.23 0.12 0.00 1.04 -1.26 -1.14 113.70 109.53 1dp0 s SER 665 Ca 0.04 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.13 1dp0 s SER 665 Cb -0.01 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1dp0 s SER 665 CO -0.09 -0.63 0.83 0.61 0.98 0.00 0.00 173.24 174.93 1dp0 n GLY 666 N -0.34 0.69 3.00 7.32 0.00 -0.17 -4.97 105.19 110.72 1dp0 n GLY 666 Ca -0.07 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1dp0 n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dp0 s GLU 667 N -2.04 0.36 -0.04 1.61 2.02 -1.26 -0.49 118.70 118.86 1dp0 s GLU 667 Ca 0.19 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 1dp0 s GLU 667 Cb -0.02 -0.01 0.02 0.00 0.10 0.00 0.00 34.13 34.22 1dp0 s GLU 667 CO 0.04 -0.02 0.11 0.08 0.02 0.00 0.00 175.26 175.48 1dp0 s VAL 668 N -1.39 -0.01 0.42 2.63 1.01 0.12 -4.96 120.40 118.21 1dp0 s VAL 668 Ca -0.14 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 1dp0 s VAL 668 Cb -0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 1dp0 s VAL 668 CO -0.01 0.02 1.26 -2.16 0.00 0.00 0.00 175.10 174.22 1dp0 s PRO 669 N 0.35 3.91 -0.18 2.72 0.04 -1.26 0.61 135.00 141.18 1dp0 s PRO 669 Ca -0.02 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1dp0 s PRO 669 Cb -0.04 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1dp0 s PRO 669 CO -0.01 -0.51 0.05 -0.51 0.04 0.00 0.00 177.00 176.06 1dp0 s LEU 670 N -2.58 3.70 -0.47 -3.56 1.43 -1.11 -4.72 118.68 111.37 1dp0 s LEU 670 Ca 0.59 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1dp0 s LEU 670 Cb -0.36 -1.93 0.18 0.00 0.03 0.00 0.00 46.19 44.11 1dp0 s LEU 670 CO 0.45 0.15 0.41 -0.67 0.23 0.00 0.00 176.35 176.92 1dp0 n ASP 671 N 3.67 0.39 -4.33 2.29 2.03 -1.26 -4.73 116.55 114.61 1dp0 n ASP 671 Ca -0.17 -2.61 -0.32 0.00 0.52 0.00 0.00 54.79 52.22 1dp0 n ASP 671 Cb 0.52 -0.60 -0.15 0.00 -0.72 0.00 0.00 41.12 40.16 1dp0 n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1dp0 s VAL 672 N -0.47 2.42 0.83 5.18 1.01 -1.26 -4.89 120.40 123.21 1dp0 s VAL 672 Ca 0.32 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1dp0 s VAL 672 Cb 0.05 -1.91 0.09 0.00 0.00 0.00 0.00 36.38 34.60 1dp0 s VAL 672 CO -0.18 0.57 1.12 0.00 0.00 0.00 0.00 175.10 176.61 1dp0 s ALA 673 N -0.24 2.20 0.31 5.51 0.00 -1.26 -2.19 121.76 126.09 1dp0 s ALA 673 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1dp0 s ALA 673 Cb -0.13 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 1dp0 s ALA 673 CO 0.03 -1.85 1.58 -1.25 0.00 0.00 0.00 175.76 174.27 1dp0 s PRO 674 N -5.27 4.11 0.00 0.00 0.04 -1.21 0.08 135.00 132.76 1dp0 s PRO 674 Ca 0.62 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.24 1dp0 s PRO 674 Cb -0.14 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1dp0 s PRO 674 CO 0.53 -0.62 0.00 1.04 0.04 0.00 0.00 177.00 177.99 1dp0 n GLN 675 N 1.86 -1.27 -2.40 4.56 1.13 -0.70 -4.94 117.38 115.61 1dp0 n GLN 675 Ca 0.07 0.32 -0.26 0.00 -1.94 0.00 0.00 57.00 55.19 1dp0 n GLN 675 Cb 0.38 -4.69 0.14 0.00 0.11 0.00 0.00 30.24 26.17 1dp0 n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1dp0 s GLY 676 N -2.00 1.77 0.07 1.08 0.00 0.11 -4.74 107.32 103.61 1dp0 s GLY 676 Ca 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 44.72 43.12 1dp0 s GLY 676 CO 0.00 -0.98 -0.08 0.54 0.00 0.00 0.00 173.10 172.58 1dp0 s LYS 677 N -5.39 0.72 -0.01 2.90 1.02 -1.26 -1.00 119.74 116.72 1dp0 s LYS 677 Ca 0.69 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 1dp0 s LYS 677 Cb -0.04 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1dp0 s LYS 677 CO 0.47 0.05 0.03 -1.14 -0.92 0.00 0.00 175.35 173.84 1dp0 s GLN 678 N -2.56 0.03 -0.10 1.68 0.74 -0.75 -4.85 119.66 113.85 1dp0 s GLN 678 Ca 0.01 0.07 -0.02 0.00 0.05 0.00 0.00 55.36 55.47 1dp0 s GLN 678 Cb -0.04 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 1dp0 s GLN 678 CO -0.01 -0.03 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.19 1dp0 s LEU 679 N 0.19 3.55 -0.11 3.68 1.43 -1.26 -0.16 118.68 126.00 1dp0 s LEU 679 Ca -0.01 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1dp0 s LEU 679 Cb -0.02 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1dp0 s LEU 679 CO -0.01 0.35 -0.09 -0.63 0.23 0.00 0.00 176.35 176.20 1dp0 s ILE 680 N -0.71 1.10 -0.27 -0.59 1.01 0.12 -4.97 121.20 116.89 1dp0 s ILE 680 Ca 0.11 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1dp0 s ILE 680 Cb -0.12 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 1dp0 s ILE 680 CO 0.02 0.38 0.17 -1.61 0.00 0.00 0.00 174.94 173.90 1dp0 s GLU 681 N 1.53 3.97 0.58 2.79 8.01 -1.26 -0.57 118.70 133.75 1dp0 s GLU 681 Ca 0.02 -0.31 -0.14 0.00 0.01 0.00 0.00 54.97 54.55 1dp0 s GLU 681 Cb -0.13 -3.60 -0.05 0.00 -4.31 0.00 0.00 34.13 26.04 1dp0 s GLU 681 CO -0.07 -0.10 1.02 -0.51 0.01 0.00 0.00 175.26 175.61 1dp0 s LEU 682 N 1.53 3.43 1.23 1.80 1.43 0.17 -4.99 118.68 123.29 1dp0 s LEU 682 Ca 0.07 1.57 -0.18 0.00 -1.03 0.00 0.00 54.13 54.56 1dp0 s LEU 682 Cb -0.15 -4.50 0.27 0.00 0.03 0.00 0.00 46.19 41.83 1dp0 s LEU 682 CO 0.09 -0.86 0.59 -2.65 0.23 0.00 0.00 176.35 173.75 1dp0 n PRO 683 N -2.18 -3.29 -2.41 1.29 -0.02 -1.26 -4.90 135.00 122.24 1dp0 n PRO 683 Ca 0.07 -0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 60.16 1dp0 n PRO 683 Cb 0.54 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1dp0 n PRO 683 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1dp0 s GLU 684 N -4.21 4.34 0.30 -0.52 2.12 -1.26 -4.99 118.70 114.47 1dp0 s GLU 684 Ca 0.55 1.74 0.03 0.00 0.36 0.00 0.00 54.97 57.65 1dp0 s GLU 684 Cb -0.12 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1dp0 s GLU 684 CO 0.51 -0.46 0.45 -0.51 -0.54 0.00 0.00 175.26 174.71 1dp0 s LEU 685 N 2.16 4.15 0.58 2.70 1.43 -1.26 -5.07 118.68 123.36 1dp0 s LEU 685 Ca 0.58 0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.71 1dp0 s LEU 685 Cb -0.26 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 1dp0 s LEU 685 CO 0.23 -0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.51 1dp0 s PRO 686 N -4.15 3.33 -0.28 1.29 0.04 -1.26 -5.01 135.00 128.95 1dp0 s PRO 686 Ca 0.38 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1dp0 s PRO 686 Cb -0.09 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1dp0 s PRO 686 CO 0.32 -0.81 0.12 -0.65 0.04 0.00 0.00 177.00 176.02 1dp0 s GLN 687 N -3.90 0.31 0.19 4.56 1.11 -1.26 -5.06 119.66 115.61 1dp0 s GLN 687 Ca 0.65 -0.62 -0.12 0.00 0.01 0.00 0.00 55.36 55.28 1dp0 s GLN 687 Cb -0.17 -1.41 -0.07 0.00 -1.01 0.00 0.00 33.01 30.35 1dp0 s GLN 687 CO 0.34 -0.98 0.55 -2.14 0.01 0.00 0.00 175.29 173.07 1dp0 s PRO 688 N 1.99 3.89 0.28 2.91 0.02 -1.26 -4.97 135.00 137.86 1dp0 s PRO 688 Ca 0.08 0.39 0.24 0.00 0.02 0.00 0.00 61.00 61.74 1dp0 s PRO 688 Cb -0.16 -2.79 0.44 0.00 0.02 0.00 0.00 34.50 32.01 1dp0 s PRO 688 CO -0.32 0.40 1.53 0.93 -0.33 0.00 0.00 177.00 179.21 1dp0 h GLU 689 N 3.06 0.00 -6.54 5.54 4.39 -2.03 -3.46 114.58 115.53 1dp0 h GLU 689 Ca -0.48 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.66 1dp0 h GLU 689 Cb 1.18 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.89 1dp0 h GLU 689 CO 0.67 0.00 0.87 0.45 -1.16 0.00 0.00 179.01 179.85 1dp0 n SER 690 N -2.61 3.38 -4.69 1.42 2.88 -1.26 -4.99 113.62 107.75 1dp0 n SER 690 Ca 0.04 1.07 -0.37 0.00 -1.33 0.00 0.00 58.87 58.28 1dp0 n SER 690 Cb 0.49 -1.47 0.06 0.00 -0.75 0.00 0.00 64.21 62.54 1dp0 n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dp0 n ALA 691 N 3.70 0.81 0.00 -1.46 0.00 -1.26 -4.84 120.51 117.46 1dp0 n ALA 691 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1dp0 n ALA 691 Cb 0.31 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1dp0 n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dp0 n GLY 692 N 1.05 1.61 3.50 0.00 0.00 -0.14 -4.94 105.19 106.27 1dp0 n GLY 692 Ca 0.15 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1dp0 n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dp0 s GLN 693 N -1.30 3.59 0.08 1.61 2.00 -1.26 -0.91 119.66 123.47 1dp0 s GLN 693 Ca 0.00 -0.53 -0.24 0.00 -2.00 0.00 0.00 55.36 52.60 1dp0 s GLN 693 Cb 0.00 -2.88 -0.06 0.00 0.80 0.00 0.00 33.01 30.87 1dp0 s GLN 693 CO 0.00 0.28 0.72 -0.51 -0.50 0.00 0.00 175.29 175.27 1dp0 s LEU 694 N 0.26 4.50 -0.04 3.68 1.43 -0.42 -1.55 118.68 126.54 1dp0 s LEU 694 Ca -0.03 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 1dp0 s LEU 694 Cb -0.14 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1dp0 s LEU 694 CO 0.03 0.12 -0.14 0.26 0.23 0.00 0.00 176.35 176.85 1dp0 s TRP 695 N -0.53 1.42 -0.22 0.29 0.52 -0.24 -0.13 118.94 120.04 1dp0 s TRP 695 Ca 0.35 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.96 1dp0 s TRP 695 Cb -0.21 -0.98 -0.05 0.00 -1.15 0.00 0.00 33.47 31.08 1dp0 s TRP 695 CO 0.23 -0.16 0.13 -1.17 0.02 0.00 0.00 176.95 176.00 1dp0 s LEU 696 N 0.19 4.07 -0.06 2.99 2.96 -0.05 -1.83 118.68 126.95 1dp0 s LEU 696 Ca -0.05 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1dp0 s LEU 696 Cb -0.11 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1dp0 s LEU 696 CO 0.02 0.11 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.03 1dp0 s THR 697 N 0.76 2.01 0.09 3.68 2.01 0.37 -0.52 115.64 124.03 1dp0 s THR 697 Ca 0.07 -1.03 0.09 0.00 0.31 0.00 0.00 61.69 61.13 1dp0 s THR 697 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1dp0 s THR 697 CO 0.02 0.56 -0.24 0.68 -0.69 0.00 0.00 174.62 174.95 1dp0 s VAL 698 N -0.05 1.97 0.02 3.82 -7.23 -0.01 -1.40 120.40 117.53 1dp0 s VAL 698 Ca -0.07 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1dp0 s VAL 698 Cb -0.14 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1dp0 s VAL 698 CO 0.05 0.14 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.77 1dp0 s ARG 699 N -1.65 0.53 -0.22 4.82 0.52 0.10 -1.56 118.95 121.50 1dp0 s ARG 699 Ca 0.10 -0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 54.69 1dp0 s ARG 699 Cb -0.10 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.92 1dp0 s ARG 699 CO 0.04 0.09 0.14 0.08 0.02 0.00 0.00 175.30 175.67 1dp0 s VAL 700 N -0.82 5.31 -0.04 3.52 1.01 0.57 -0.77 120.40 129.17 1dp0 s VAL 700 Ca -0.04 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1dp0 s VAL 700 Cb -0.07 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1dp0 s VAL 700 CO 0.00 0.39 -0.25 -0.69 0.00 0.00 0.00 175.10 174.56 1dp0 s VAL 701 N 0.72 2.10 -0.40 2.92 1.01 -0.35 -0.85 120.40 125.55 1dp0 s VAL 701 Ca 0.07 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1dp0 s VAL 701 Cb -0.12 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1dp0 s VAL 701 CO 0.01 0.57 0.39 -1.10 0.00 0.00 0.00 175.10 174.98 1dp0 s GLN 702 N -0.35 3.21 0.26 2.72 -0.21 -0.52 -0.90 119.66 123.87 1dp0 s GLN 702 Ca 0.02 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.70 1dp0 s GLN 702 Cb -0.12 -3.92 0.35 0.00 1.00 0.00 0.00 33.01 30.31 1dp0 s GLN 702 CO 0.02 -0.74 1.68 -1.35 -2.12 0.00 0.00 175.29 172.78 1dp0 h PRO 703 N 8.64 0.50 -5.90 2.91 0.11 -1.89 0.87 132.00 137.25 1dp0 h PRO 703 Ca -0.28 -0.21 -0.65 0.00 0.11 0.00 0.00 66.00 64.98 1dp0 h PRO 703 Cb 1.12 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 1dp0 h PRO 703 CO 0.75 0.75 -0.54 -0.80 -0.21 0.00 0.00 178.00 177.96 1dp0 s ASN 704 N -6.82 6.00 0.77 -2.05 0.02 -1.26 -3.72 114.94 107.88 1dp0 s ASN 704 Ca -0.07 0.25 -0.12 0.00 -1.02 0.00 0.00 52.86 51.91 1dp0 s ASN 704 Cb 0.13 -1.81 0.06 0.00 0.02 0.00 0.00 41.25 39.65 1dp0 s ASN 704 CO 0.80 0.28 1.11 0.00 0.02 0.00 0.00 177.10 179.31 1dp0 s ALA 705 N -1.23 2.19 0.29 0.60 0.00 -1.26 -4.46 121.76 117.89 1dp0 s ALA 705 Ca 0.24 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1dp0 s ALA 705 Cb -0.12 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1dp0 s ALA 705 CO 0.15 -1.80 0.14 0.25 0.00 0.00 0.00 175.76 174.50 1dp0 n THR 706 N -3.35 0.00 0.27 0.00 -2.24 0.17 -4.90 114.28 104.23 1dp0 n THR 706 Ca 0.10 -1.81 0.14 0.00 -2.27 0.00 0.00 64.05 60.21 1dp0 n THR 706 Cb 0.53 0.73 0.75 0.00 -2.10 0.00 0.00 70.33 70.23 1dp0 n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dp0 h ALA 707 N 1.60 1.17 -0.01 6.98 0.00 -2.00 -3.20 119.26 123.81 1dp0 h ALA 707 Ca -0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1dp0 h ALA 707 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dp0 h ALA 707 CO 0.35 0.13 0.00 -2.67 0.00 0.00 0.00 179.25 177.05 1dp0 n TRP 708 N -3.46 0.01 -3.60 0.00 4.27 -1.26 -5.05 117.44 108.34 1dp0 n TRP 708 Ca -0.01 -0.20 -0.12 0.00 -3.89 0.00 0.00 57.50 53.28 1dp0 n TRP 708 Cb 0.25 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 30.14 1dp0 n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1dp0 s SER 709 N -0.43 -0.32 0.41 -0.67 1.04 -1.21 -4.66 113.70 107.86 1dp0 s SER 709 Ca 0.01 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 1dp0 s SER 709 Cb 0.01 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1dp0 s SER 709 CO 0.01 -0.80 0.65 -1.61 0.98 0.00 0.00 173.24 172.47 1dp0 s GLU 710 N -3.25 3.47 0.38 4.02 2.02 -1.26 -0.65 118.70 123.42 1dp0 s GLU 710 Ca -0.01 -0.15 -0.27 0.00 0.02 0.00 0.00 54.97 54.57 1dp0 s GLU 710 Cb 0.00 -2.54 -0.11 0.00 0.10 0.00 0.00 34.13 31.58 1dp0 s GLU 710 CO -0.08 -0.03 1.30 0.00 0.02 0.00 0.00 175.26 176.48 1dp0 n ALA 711 N -1.99 1.42 -0.65 5.21 0.00 -1.26 -1.61 120.51 121.62 1dp0 n ALA 711 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1dp0 n ALA 711 Cb 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1dp0 n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dp0 n GLY 712 N 0.75 0.96 3.70 0.00 0.00 0.30 -4.93 105.19 105.98 1dp0 n GLY 712 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1dp0 n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1dp0 n HIS 713 N -2.00 2.40 -3.41 1.61 -0.00 -0.64 -4.59 115.22 108.59 1dp0 n HIS 713 Ca 0.00 0.44 -0.37 0.00 0.46 0.00 0.00 57.72 58.24 1dp0 n HIS 713 Cb 0.00 -2.48 -0.07 0.00 -0.12 0.00 0.00 29.99 27.32 1dp0 n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1dp0 s ILE 714 N -0.47 5.23 -0.36 3.57 1.01 -1.26 -1.44 121.20 127.49 1dp0 s ILE 714 Ca 0.62 0.73 0.12 0.00 0.00 0.00 0.00 60.65 62.12 1dp0 s ILE 714 Cb -0.58 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.01 1dp0 s ILE 714 CO 0.55 0.32 0.42 -1.54 0.00 0.00 0.00 174.94 174.69 1dp0 n SER 715 N 3.92 1.18 -3.48 3.58 3.41 -0.03 -5.01 113.62 117.18 1dp0 n SER 715 Ca -0.09 -0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 57.92 1dp0 n SER 715 Cb 0.51 1.22 -0.03 0.00 -0.26 0.00 0.00 64.21 65.66 1dp0 n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 s ALA 716 N -2.43 -1.74 0.22 7.33 0.00 -1.24 -4.68 121.76 119.22 1dp0 s ALA 716 Ca 0.01 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1dp0 s ALA 716 Cb 0.09 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1dp0 s ALA 716 CO 0.51 -0.64 0.57 1.67 0.00 0.00 0.00 175.76 177.87 1dp0 s TRP 717 N -2.91 -0.10 0.04 0.00 -2.14 -1.26 -0.32 118.94 112.26 1dp0 s TRP 717 Ca 0.01 -0.27 -0.27 0.00 2.66 0.00 0.00 56.10 58.23 1dp0 s TRP 717 Cb -0.01 0.46 0.09 0.00 -3.10 0.00 0.00 33.47 30.91 1dp0 s TRP 717 CO -0.07 -1.00 0.76 -1.14 -2.66 0.00 0.00 176.95 172.84 1dp0 s GLN 718 N -3.90 1.00 0.05 3.25 2.00 -0.60 -4.99 119.66 116.48 1dp0 s GLN 718 Ca 0.11 -0.27 0.01 0.00 -2.00 0.00 0.00 55.36 53.20 1dp0 s GLN 718 Cb -0.02 0.46 -0.03 0.00 0.80 0.00 0.00 33.01 34.22 1dp0 s GLN 718 CO 0.01 -0.42 -0.05 -0.65 -0.50 0.00 0.00 175.29 173.68 1dp0 s GLN 719 N -3.01 0.59 0.01 1.67 -0.21 -1.26 -0.83 119.66 116.63 1dp0 s GLN 719 Ca 0.01 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 1dp0 s GLN 719 Cb -0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 1dp0 s GLN 719 CO -0.08 -0.04 0.01 -1.58 -2.12 0.00 0.00 175.29 171.48 1dp0 s TRP 720 N -2.84 0.15 0.19 0.91 0.51 0.32 -5.00 118.94 113.19 1dp0 s TRP 720 Ca 0.00 -0.31 -0.30 0.00 -2.12 0.00 0.00 56.10 53.37 1dp0 s TRP 720 Cb 0.00 -0.12 -0.08 0.00 -0.81 0.00 0.00 33.47 32.47 1dp0 s TRP 720 CO -0.05 -0.17 1.10 1.03 -0.51 0.00 0.00 176.95 178.36 1dp0 s ARG 721 N -1.09 4.60 0.00 4.98 0.52 -1.26 -0.87 118.95 125.82 1dp0 s ARG 721 Ca -0.12 1.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1dp0 s ARG 721 Cb -0.07 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.13 1dp0 s ARG 721 CO -0.00 0.09 0.00 1.28 0.02 0.00 0.00 175.30 176.68 1dp0 n LEU 722 N 2.28 0.00 -4.77 2.53 4.77 0.81 -4.90 117.00 117.73 1dp0 n LEU 722 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 1dp0 n LEU 722 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1dp0 n LEU 722 CO 0.54 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.42 1dp0 s ALA 723 N -2.79 2.77 -0.05 -1.18 0.00 -1.26 -4.66 121.76 114.59 1dp0 s ALA 723 Ca 0.00 0.93 0.06 0.00 0.00 0.00 0.00 51.96 52.96 1dp0 s ALA 723 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1dp0 s ALA 723 CO 0.00 -0.85 -0.25 -2.00 0.00 0.00 0.00 175.76 172.67 1dp0 s GLU 724 N -3.06 2.48 -0.35 0.00 2.12 -1.26 -1.30 118.70 117.33 1dp0 s GLU 724 Ca 0.70 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 55.16 1dp0 s GLU 724 Cb -0.28 -2.16 0.10 0.00 0.26 0.00 0.00 34.13 32.05 1dp0 s GLU 724 CO 0.32 0.42 0.08 -0.80 -0.54 0.00 0.00 175.26 174.75 1dp0 s ASN 725 N -0.26 4.89 0.44 -1.70 0.01 -0.09 -4.98 114.94 113.24 1dp0 s ASN 725 Ca -0.01 -2.09 -0.25 0.00 -0.71 0.00 0.00 52.86 49.80 1dp0 s ASN 725 Cb -0.13 -1.68 -0.08 0.00 0.41 0.00 0.00 41.25 39.77 1dp0 s ASN 725 CO 0.03 -0.41 1.33 -0.76 -1.51 0.00 0.00 177.10 175.77 1dp0 s LEU 726 N 0.97 4.13 0.03 0.60 1.43 -1.26 -0.97 118.68 123.61 1dp0 s LEU 726 Ca 0.09 2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 55.59 1dp0 s LEU 726 Cb -0.20 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1dp0 s LEU 726 CO -0.07 -1.01 1.12 -0.55 0.23 0.00 0.00 176.35 176.07 1dp0 s SER 727 N -0.76 7.18 0.00 2.29 0.15 -1.26 -4.86 113.70 116.44 1dp0 s SER 727 Ca 0.60 1.87 0.00 0.00 0.70 0.00 0.00 55.95 59.12 1dp0 s SER 727 Cb -0.39 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 1dp0 s SER 727 CO 0.49 -0.41 0.70 1.33 1.20 0.00 0.00 173.24 176.55 1dp0 n VAL 728 N 3.99 0.39 -2.62 4.45 0.24 -1.26 -5.04 118.33 118.49 1dp0 n VAL 728 Ca 0.08 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1dp0 n VAL 728 Cb 0.48 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 1dp0 n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1dp0 s THR 729 N -0.39 4.61 0.35 3.34 -4.23 -1.26 -5.02 115.64 113.04 1dp0 s THR 729 Ca 0.00 1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 62.15 1dp0 s THR 729 Cb 0.00 -4.20 -0.10 0.00 1.34 0.00 0.00 72.50 69.54 1dp0 s THR 729 CO 0.00 0.14 0.91 -0.76 -0.54 0.00 0.00 174.62 174.38 1dp0 s LEU 730 N 1.03 4.19 0.21 4.79 1.02 -1.26 -5.04 118.68 123.62 1dp0 s LEU 730 Ca 0.54 1.71 -0.30 0.00 0.02 0.00 0.00 54.13 56.11 1dp0 s LEU 730 Cb -0.24 -4.16 -0.08 0.00 0.02 0.00 0.00 46.19 41.73 1dp0 s LEU 730 CO 0.28 -0.17 0.97 -2.16 0.02 0.00 0.00 176.35 175.29 1dp0 s PRO 731 N -2.49 4.78 1.05 1.29 0.04 -1.26 -5.02 135.00 133.40 1dp0 s PRO 731 Ca 0.54 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1dp0 s PRO 731 Cb -0.15 -3.30 0.11 0.00 0.04 0.00 0.00 34.50 31.21 1dp0 s PRO 731 CO 0.19 0.39 0.39 0.00 0.04 0.00 0.00 177.00 178.01 1dp0 n ALA 732 N 1.86 -3.15 -1.81 8.56 0.00 -1.26 -4.94 120.51 119.78 1dp0 n ALA 732 Ca -0.01 -0.97 -0.33 0.00 0.00 0.00 0.00 53.44 52.13 1dp0 n ALA 732 Cb 0.47 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1dp0 n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dp0 s ALA 733 N -2.35 2.97 -0.14 0.00 0.00 -1.26 -5.02 121.76 115.96 1dp0 s ALA 733 Ca 0.59 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 1dp0 s ALA 733 Cb -0.18 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1dp0 s ALA 733 CO 0.66 -0.07 0.52 -1.54 0.00 0.00 0.00 175.76 175.32 1dp0 s SER 734 N -2.15 6.67 -0.52 0.00 1.04 -1.26 -4.96 113.70 112.52 1dp0 s SER 734 Ca 0.64 0.81 -0.07 0.00 0.48 0.00 0.00 55.95 57.81 1dp0 s SER 734 Cb -0.12 -2.30 -0.16 0.00 0.10 0.00 0.00 66.02 63.54 1dp0 s SER 734 CO 0.17 -0.08 3.28 1.41 0.98 0.00 0.00 173.24 179.00 1dp0 n HIS 735 N 4.11 0.94 0.00 5.02 -0.00 -1.26 -4.78 115.22 119.26 1dp0 n HIS 735 Ca -0.05 -2.01 0.00 0.00 -0.00 0.00 0.00 57.72 55.65 1dp0 n HIS 735 Cb 0.51 -1.79 0.00 0.00 -0.00 0.00 0.00 29.99 28.71 1dp0 n HIS 735 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dp0 n ALA 736 N 2.48 0.00 -3.54 -1.41 0.00 -1.26 -5.15 120.51 111.63 1dp0 n ALA 736 Ca 0.53 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.74 1dp0 n ALA 736 Cb 0.67 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.95 1dp0 n ALA 736 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1dp0 s ILE 737 N -1.76 0.97 0.57 0.00 -1.16 -1.26 -4.14 121.20 114.42 1dp0 s ILE 737 Ca 0.00 -0.37 -0.19 0.00 -0.51 0.00 0.00 60.65 59.58 1dp0 s ILE 737 Cb 0.00 -0.92 -0.05 0.00 0.61 0.00 0.00 42.46 42.10 1dp0 s ILE 737 CO 0.00 0.32 1.17 -2.84 -2.81 0.00 0.00 174.94 170.78 1dp0 s PRO 738 N 0.82 3.18 -0.00 3.50 0.02 -1.26 -4.94 135.00 136.31 1dp0 s PRO 738 Ca -0.12 1.72 0.02 0.00 0.02 0.00 0.00 61.00 62.64 1dp0 s PRO 738 Cb -0.15 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1dp0 s PRO 738 CO 0.02 -1.02 -0.03 -1.01 -0.33 0.00 0.00 177.00 174.63 1dp0 s HIS 739 N -1.68 3.00 -0.09 6.54 3.76 0.59 -4.75 115.29 122.67 1dp0 s HIS 739 Ca 0.75 0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.68 1dp0 s HIS 739 Cb -0.27 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 1dp0 s HIS 739 CO 0.30 0.43 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.44 1dp0 s LEU 740 N -1.47 3.51 -0.06 0.89 2.96 -1.26 -0.88 118.68 122.38 1dp0 s LEU 740 Ca 0.18 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1dp0 s LEU 740 Cb -0.11 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1dp0 s LEU 740 CO 0.09 0.36 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.51 1dp0 s THR 741 N -0.79 0.83 0.17 3.68 2.01 0.19 -5.00 115.64 116.73 1dp0 s THR 741 Ca 0.12 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 61.94 1dp0 s THR 741 Cb -0.11 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1dp0 s THR 741 CO 0.02 0.29 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.15 1dp0 s THR 742 N 0.87 2.59 0.26 -0.82 2.01 -1.26 -1.70 115.64 117.59 1dp0 s THR 742 Ca -0.11 -1.85 -0.04 0.00 0.31 0.00 0.00 61.69 59.99 1dp0 s THR 742 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1dp0 s THR 742 CO 0.01 -0.06 0.33 -0.94 -0.69 0.00 0.00 174.62 173.27 1dp0 s SER 743 N -2.57 0.39 0.45 3.53 1.04 -0.55 -5.00 113.70 110.99 1dp0 s SER 743 Ca 0.20 -1.30 0.13 0.00 0.48 0.00 0.00 55.95 55.47 1dp0 s SER 743 Cb -0.09 0.52 1.05 0.00 0.10 0.00 0.00 66.02 67.60 1dp0 s SER 743 CO 0.11 -1.06 2.03 -0.08 0.98 0.00 0.00 173.24 175.22 1dp0 h GLU 744 N 2.35 0.35 0.00 4.02 4.81 -2.03 -3.06 114.58 121.01 1dp0 h GLU 744 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1dp0 h GLU 744 Cb 1.25 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1dp0 h GLU 744 CO 0.43 0.23 -1.50 -1.33 -0.73 0.00 0.00 179.01 176.11 1dp0 n MET 745 N -4.47 0.48 -3.79 1.92 2.81 -1.26 -4.77 117.12 108.03 1dp0 n MET 745 Ca 0.06 -0.08 -0.09 0.00 -1.81 0.00 0.00 57.70 55.78 1dp0 n MET 745 Cb 0.26 -1.58 -0.06 0.00 -0.71 0.00 0.00 33.22 31.12 1dp0 n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dp0 s ASP 746 N -4.32 -0.01 -0.18 7.83 1.01 -1.16 -0.39 116.67 119.45 1dp0 s ASP 746 Ca -0.02 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.67 1dp0 s ASP 746 Cb 0.14 0.40 0.01 0.00 1.01 0.00 0.00 42.92 44.48 1dp0 s ASP 746 CO 0.86 -0.79 -0.17 -0.36 0.21 0.00 0.00 175.17 174.92 1dp0 s PHE 747 N -3.85 2.80 -0.09 4.23 2.99 0.30 -1.49 117.98 122.86 1dp0 s PHE 747 Ca 0.06 -1.44 0.03 0.00 0.00 0.00 0.00 56.93 55.57 1dp0 s PHE 747 Cb 0.04 -1.94 -0.01 0.00 0.00 0.00 0.00 43.02 41.10 1dp0 s PHE 747 CO -0.10 -0.72 -0.18 0.00 -0.00 0.00 0.00 175.22 174.22 1dp0 s ILE 749 N 0.06 1.65 -0.02 0.00 1.09 -0.18 -0.64 121.20 123.17 1dp0 s ILE 749 Ca -0.07 -0.88 0.03 0.00 -1.10 0.00 0.00 60.65 58.63 1dp0 s ILE 749 Cb -0.15 -1.38 -0.00 0.00 -1.06 0.00 0.00 42.46 39.86 1dp0 s ILE 749 CO 0.05 0.47 -0.12 -0.70 -0.10 0.00 0.00 174.94 174.54 1dp0 s GLU 750 N -0.36 1.12 -0.24 2.79 2.12 -0.06 -0.45 118.70 123.62 1dp0 s GLU 750 Ca 0.05 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 54.94 1dp0 s GLU 750 Cb -0.09 -1.04 0.12 0.00 0.26 0.00 0.00 34.13 33.38 1dp0 s GLU 750 CO 0.00 0.20 0.31 -1.17 -0.54 0.00 0.00 175.26 174.06 1dp0 s LEU 751 N -0.03 -0.38 0.00 2.70 2.96 0.72 -0.30 118.68 124.35 1dp0 s LEU 751 Ca 0.00 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1dp0 s LEU 751 Cb -0.07 0.74 0.00 0.00 0.50 0.00 0.00 46.19 47.36 1dp0 s LEU 751 CO 0.00 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1dp0 n GLY 752 N 5.34 3.59 0.61 7.98 0.00 -1.26 0.07 105.19 121.52 1dp0 n GLY 752 Ca -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1dp0 n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dp0 n ASN 753 N 5.21 1.67 -4.40 1.61 6.94 -1.26 -4.82 115.26 120.21 1dp0 n ASN 753 Ca 0.00 -2.11 -0.28 0.00 -0.02 0.00 0.00 54.58 52.16 1dp0 n ASN 753 Cb 0.00 -0.31 -0.13 0.00 -2.36 0.00 0.00 39.78 36.98 1dp0 n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dp0 s LYS 754 N -1.63 1.43 0.01 -3.83 1.02 0.11 -0.79 119.74 116.06 1dp0 s LYS 754 Ca 0.15 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1dp0 s LYS 754 Cb 0.10 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.51 1dp0 s LYS 754 CO 0.08 0.44 -0.02 1.03 -0.92 0.00 0.00 175.35 175.95 1dp0 s ARG 755 N -2.23 0.21 -0.03 1.68 0.52 -0.91 -0.20 118.95 118.00 1dp0 s ARG 755 Ca 0.16 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 1dp0 s ARG 755 Cb -0.09 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.41 1dp0 s ARG 755 CO 0.07 -0.02 -0.10 -1.58 0.02 0.00 0.00 175.30 173.68 1dp0 s TRP 756 N -0.85 1.08 -0.13 -0.53 0.51 0.40 -1.15 118.94 118.27 1dp0 s TRP 756 Ca -0.09 -0.27 0.02 0.00 -2.12 0.00 0.00 56.10 53.64 1dp0 s TRP 756 Cb -0.06 -0.75 0.01 0.00 -0.81 0.00 0.00 33.47 31.86 1dp0 s TRP 756 CO -0.01 -0.10 -0.18 -1.14 -0.51 0.00 0.00 176.95 175.01 1dp0 s GLN 757 N 0.13 2.59 -0.18 4.98 0.74 -0.01 -1.01 119.66 126.90 1dp0 s GLN 757 Ca -0.03 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 54.67 1dp0 s GLN 757 Cb -0.09 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.85 1dp0 s GLN 757 CO 0.01 -0.07 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.52 1dp0 s PHE 758 N 0.98 2.88 -0.12 1.67 0.40 0.14 -0.83 117.98 123.10 1dp0 s PHE 758 Ca -0.05 -0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 55.04 1dp0 s PHE 758 Cb -0.15 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 1dp0 s PHE 758 CO -0.03 -0.47 1.16 1.21 0.70 0.00 0.00 175.22 177.79 1dp0 s ASN 759 N 1.04 7.06 0.24 1.36 3.84 -0.24 -0.54 114.94 127.71 1dp0 s ASN 759 Ca -0.00 1.67 0.26 0.00 0.21 0.00 0.00 52.86 54.99 1dp0 s ASN 759 Cb -0.15 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 38.85 1dp0 s ASN 759 CO -0.02 -0.62 1.76 0.03 -2.79 0.00 0.00 177.10 175.46 1dp0 h ARG 760 N 7.59 0.00 0.15 0.43 3.08 -1.02 0.80 114.38 125.41 1dp0 h ARG 760 Ca -0.29 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.43 1dp0 h ARG 760 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1dp0 h ARG 760 CO 0.91 0.00 -1.70 0.37 -1.07 0.00 0.00 179.97 178.49 1dp0 h GLN 761 N 0.00 0.32 0.00 0.04 4.15 -1.88 -3.38 115.11 114.36 1dp0 h GLN 761 Ca 0.00 -0.55 -0.26 0.00 0.77 0.00 0.00 58.65 58.61 1dp0 h GLN 761 Cb 0.65 0.20 -0.05 0.00 0.21 0.00 0.00 27.48 28.50 1dp0 h GLN 761 CO 0.00 1.26 -1.61 0.66 -1.93 0.00 0.00 178.83 177.22 1dp0 h SER 762 N -0.04 0.00 0.00 -0.69 4.64 -1.91 -3.45 113.55 112.10 1dp0 h SER 762 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1dp0 h SER 762 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1dp0 h SER 762 CO 0.12 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1dp0 n GLY 763 N 1.51 0.56 3.52 -0.77 0.00 0.28 -4.78 105.19 105.51 1dp0 n GLY 763 Ca -0.14 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1dp0 n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dp0 s PHE 764 N -2.00 2.37 -0.37 1.61 0.40 -1.22 -4.91 117.98 113.86 1dp0 s PHE 764 Ca 0.00 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 1dp0 s PHE 764 Cb 0.00 -1.22 -0.00 0.00 0.51 0.00 0.00 43.02 42.30 1dp0 s PHE 764 CO 0.00 0.63 1.60 -1.17 0.70 0.00 0.00 175.22 176.98 1dp0 s LEU 765 N -3.58 3.54 0.03 -0.37 2.96 -1.26 -1.07 118.68 118.93 1dp0 s LEU 765 Ca 0.32 1.05 0.21 0.00 -0.22 0.00 0.00 54.13 55.49 1dp0 s LEU 765 Cb -0.01 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.94 1dp0 s LEU 765 CO 0.16 -1.57 0.63 -1.54 -1.32 0.00 0.00 176.35 172.72 1dp0 n SER 766 N 9.52 0.33 -3.48 3.68 3.41 -0.01 -1.29 113.62 125.78 1dp0 n SER 766 Ca 0.20 0.13 -0.16 0.00 -0.26 0.00 0.00 58.87 58.78 1dp0 n SER 766 Cb 0.47 1.28 -0.04 0.00 -0.26 0.00 0.00 64.21 65.66 1dp0 n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1dp0 s GLN 767 N -3.32 1.15 -0.01 4.33 2.00 -1.14 -4.48 119.66 118.19 1dp0 s GLN 767 Ca -0.06 -0.04 -0.04 0.00 -2.00 0.00 0.00 55.36 53.22 1dp0 s GLN 767 Cb 0.11 0.54 -0.00 0.00 0.80 0.00 0.00 33.01 34.46 1dp0 s GLN 767 CO 0.86 -0.42 0.08 -1.64 -0.50 0.00 0.00 175.29 173.67 1dp0 s MET 768 N -2.24 0.29 -0.02 1.67 -1.94 -1.26 -0.83 119.30 114.98 1dp0 s MET 768 Ca -0.06 -0.23 0.06 0.00 -1.71 0.00 0.00 55.69 53.75 1dp0 s MET 768 Cb -0.00 0.12 -0.01 0.00 2.01 0.00 0.00 34.83 36.94 1dp0 s MET 768 CO 0.01 -0.06 -0.20 -1.58 -0.01 0.00 0.00 175.02 173.18 1dp0 s TRP 769 N -0.81 1.82 -0.17 -0.03 0.51 -0.30 -0.06 118.94 119.91 1dp0 s TRP 769 Ca -0.09 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.54 1dp0 s TRP 769 Cb -0.05 -1.18 0.03 0.00 -0.81 0.00 0.00 33.47 31.46 1dp0 s TRP 769 CO 0.00 -0.04 -0.15 0.42 -0.51 0.00 0.00 176.95 176.67 1dp0 s ILE 770 N -0.44 1.75 0.00 2.03 1.01 -0.73 -2.13 121.20 122.69 1dp0 s ILE 770 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1dp0 s ILE 770 Cb -0.08 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1dp0 s ILE 770 CO -0.01 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1dp0 n GLY 771 N 4.70 1.80 0.54 6.18 0.00 0.03 -0.79 105.19 117.65 1dp0 n GLY 771 Ca -0.18 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.36 1dp0 n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dp0 n ASP 772 N 4.05 2.16 -4.74 1.61 8.00 -1.26 -4.80 116.55 121.57 1dp0 n ASP 772 Ca 0.00 -3.58 -0.36 0.00 0.71 0.00 0.00 54.79 51.56 1dp0 n ASP 772 Cb 0.00 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.51 1dp0 n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1dp0 s LYS 773 N -3.10 4.15 0.34 -1.24 3.01 0.02 -5.04 119.74 117.88 1dp0 s LYS 773 Ca 0.37 -0.12 -0.29 0.00 -1.01 0.00 0.00 55.97 54.93 1dp0 s LYS 773 Cb 0.35 -3.40 -0.11 0.00 -1.01 0.00 0.00 37.83 33.66 1dp0 s LYS 773 CO -0.02 0.32 1.48 0.15 0.51 0.00 0.00 175.35 177.79 1dp0 s LYS 774 N 0.27 4.16 -0.01 1.68 1.02 -1.26 -1.77 119.74 123.82 1dp0 s LYS 774 Ca 0.11 2.50 0.13 0.00 0.02 0.00 0.00 55.97 58.73 1dp0 s LYS 774 Cb -0.12 -3.01 -0.18 0.00 -0.52 0.00 0.00 37.83 34.00 1dp0 s LYS 774 CO 0.00 -0.49 0.40 1.04 -0.92 0.00 0.00 175.35 175.38 1dp0 n GLN 775 N 1.04 1.33 -4.50 1.68 1.13 0.92 -4.79 117.38 114.19 1dp0 n GLN 775 Ca 0.03 -0.07 -0.27 0.00 -1.94 0.00 0.00 57.00 54.74 1dp0 n GLN 775 Cb 0.39 -1.23 -0.13 0.00 0.11 0.00 0.00 30.24 29.38 1dp0 n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1dp0 s LEU 776 N -3.40 2.26 -0.17 1.08 1.43 -1.26 -0.74 118.68 117.89 1dp0 s LEU 776 Ca -0.01 -0.66 0.15 0.00 -1.03 0.00 0.00 54.13 52.57 1dp0 s LEU 776 Cb 0.09 -1.09 -0.21 0.00 0.03 0.00 0.00 46.19 45.01 1dp0 s LEU 776 CO 0.55 0.16 0.06 0.18 0.23 0.00 0.00 176.35 177.52 1dp0 n LEU 777 N 1.28 0.03 -4.02 1.79 4.77 0.11 -4.71 117.00 116.24 1dp0 n LEU 777 Ca -0.18 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1dp0 n LEU 777 Cb 0.53 0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.90 1dp0 n LEU 777 CO 0.23 0.42 -0.39 0.42 -1.33 0.00 0.00 177.39 176.73 1dp0 s THR 778 N -2.41 0.41 0.97 -5.08 -4.23 -1.14 -4.94 115.64 99.23 1dp0 s THR 778 Ca -0.08 -0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1dp0 s THR 778 Cb 0.05 -0.47 0.18 0.00 1.34 0.00 0.00 72.50 73.59 1dp0 s THR 778 CO 0.68 -0.31 1.09 -2.84 -0.54 0.00 0.00 174.62 172.70 1dp0 s PRO 779 N -1.27 0.59 -0.33 3.99 0.02 -1.26 -3.59 135.00 133.16 1dp0 s PRO 779 Ca -0.09 1.06 -0.27 0.00 0.02 0.00 0.00 61.00 61.72 1dp0 s PRO 779 Cb -0.08 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.74 1dp0 s PRO 779 CO 0.00 -2.77 0.99 -1.17 -0.33 0.00 0.00 177.00 173.72 1dp0 s LEU 780 N -6.61 3.97 0.07 -5.54 2.96 -0.41 -4.50 118.68 108.61 1dp0 s LEU 780 Ca 0.66 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1dp0 s LEU 780 Cb -0.21 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1dp0 s LEU 780 CO 0.59 -0.83 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.61 1dp0 s ARG 781 N 3.49 0.67 0.67 1.98 0.52 -0.64 -4.23 118.95 121.41 1dp0 s ARG 781 Ca 0.41 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 54.34 1dp0 s ARG 781 Cb -0.12 -0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.24 1dp0 s ARG 781 CO 0.16 -0.02 1.17 -0.51 0.02 0.00 0.00 175.30 176.12 1dp0 s ASP 782 N -2.55 4.77 -0.03 0.23 1.11 -1.26 -0.80 116.67 118.14 1dp0 s ASP 782 Ca 0.03 2.25 -0.01 0.00 0.18 0.00 0.00 52.55 55.00 1dp0 s ASP 782 Cb 0.01 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.45 1dp0 s ASP 782 CO -0.04 -1.87 0.03 -1.58 1.18 0.00 0.00 175.17 172.89 1dp0 s GLN 783 N -3.80 0.04 0.00 8.23 0.74 -0.02 -4.77 119.66 120.07 1dp0 s GLN 783 Ca 0.73 0.23 0.03 0.00 0.05 0.00 0.00 55.36 56.40 1dp0 s GLN 783 Cb -0.26 -0.41 0.04 0.00 1.10 0.00 0.00 33.01 33.47 1dp0 s GLN 783 CO 0.40 -0.22 0.67 1.19 -0.55 0.00 0.00 175.29 176.78 1dp0 n PHE 784 N 4.58 0.02 -4.39 1.67 3.01 -1.26 -1.52 117.46 119.56 1dp0 n PHE 784 Ca -0.19 -0.07 -0.20 0.00 1.01 0.00 0.00 57.45 58.01 1dp0 n PHE 784 Cb 0.50 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.86 1dp0 n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1dp0 s THR 785 N -0.38 1.44 0.10 4.37 -4.23 -1.26 -2.94 115.64 112.75 1dp0 s THR 785 Ca 0.04 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1dp0 s THR 785 Cb 0.03 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1dp0 s THR 785 CO 0.04 -0.32 -0.09 0.00 -0.54 0.00 0.00 174.62 173.71 1dp0 s ARG 786 N -3.77 0.87 -0.05 3.99 1.70 -1.26 -4.77 118.95 115.65 1dp0 s ARG 786 Ca 0.29 -1.25 -0.30 0.00 -0.47 0.00 0.00 55.73 54.00 1dp0 s ARG 786 Cb 0.04 -0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 33.94 1dp0 s ARG 786 CO 0.11 0.05 1.49 0.00 -1.08 0.00 0.00 175.30 175.86 1dp0 s ALA 787 N -2.93 3.62 0.32 7.88 0.00 -1.26 -4.85 121.76 124.54 1dp0 s ALA 787 Ca 0.09 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1dp0 s ALA 787 Cb 0.00 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1dp0 s ALA 787 CO -0.01 -1.18 1.42 -1.25 0.00 0.00 0.00 175.76 174.74 1dp0 s PRO 788 N 3.31 4.24 0.73 0.00 0.04 -1.26 -1.49 135.00 140.56 1dp0 s PRO 788 Ca 0.66 2.37 -0.11 0.00 0.04 0.00 0.00 61.00 63.96 1dp0 s PRO 788 Cb -0.31 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1dp0 s PRO 788 CO 0.26 -0.39 1.08 -0.51 0.04 0.00 0.00 177.00 177.48 1dp0 s LEU 789 N -1.34 2.88 0.36 -3.56 1.43 -1.26 -4.57 118.68 112.62 1dp0 s LEU 789 Ca 0.54 1.34 0.09 0.00 -1.03 0.00 0.00 54.13 55.07 1dp0 s LEU 789 Cb -0.43 -4.12 0.81 0.00 0.03 0.00 0.00 46.19 42.49 1dp0 s LEU 789 CO 0.52 -1.53 1.89 0.44 0.23 0.00 0.00 176.35 177.90 1dp0 h ASP 790 N -0.78 0.64 1.19 2.29 3.32 -1.87 0.59 116.42 121.80 1dp0 h ASP 790 Ca -0.45 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1dp0 h ASP 790 Cb 1.24 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 1dp0 h ASP 790 CO 0.60 0.34 -0.06 0.78 -1.72 0.00 0.00 179.24 179.19 1dp0 h ASN 791 N 0.69 0.00 1.13 6.45 2.35 -1.85 -0.56 115.58 123.79 1dp0 h ASN 791 Ca 0.42 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.02 1dp0 h ASN 791 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1dp0 h ASN 791 CO -0.18 0.06 -0.72 0.44 -1.65 0.00 0.00 177.43 175.39 1dp0 h ASP 792 N 0.00 0.00 0.28 5.81 3.32 -1.20 -3.36 116.42 121.27 1dp0 h ASP 792 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1dp0 h ASP 792 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1dp0 h ASP 792 CO 0.01 0.72 -1.76 0.40 -1.72 0.00 0.00 179.24 176.89 1dp0 h ILE 793 N 0.00 0.90 0.00 0.35 2.04 -1.06 -0.40 117.51 119.33 1dp0 h ILE 793 Ca -0.01 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.29 1dp0 h ILE 793 Cb 1.48 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1dp0 h ILE 793 CO 0.09 0.82 0.00 0.61 0.00 0.00 0.00 178.15 179.67 1dp0 n GLY 794 N 1.81 2.99 0.40 5.37 0.00 -0.25 -1.04 105.19 114.46 1dp0 n GLY 794 Ca -0.24 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.70 1dp0 n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dp0 n VAL 795 N 0.00 0.17 -1.98 1.61 0.24 -1.26 -4.92 118.33 112.18 1dp0 n VAL 795 Ca 0.00 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.34 61.64 1dp0 n VAL 795 Cb 0.00 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1dp0 n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1dp0 s SER 796 N -1.51 6.50 0.04 -1.34 0.15 -0.21 -4.79 113.70 112.55 1dp0 s SER 796 Ca 0.29 2.82 0.01 0.00 0.70 0.00 0.00 55.95 59.78 1dp0 s SER 796 Cb 0.15 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1dp0 s SER 796 CO 0.23 -0.74 -0.05 -1.61 1.20 0.00 0.00 173.24 172.27 1dp0 s GLU 797 N -2.00 0.46 0.39 5.44 2.02 -0.71 -4.92 118.70 119.39 1dp0 s GLU 797 Ca 0.52 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.82 1dp0 s GLU 797 Cb -0.42 -0.09 0.83 0.00 0.10 0.00 0.00 34.13 34.55 1dp0 s GLU 797 CO 0.56 -0.01 2.00 0.00 0.02 0.00 0.00 175.26 177.83 1dp0 h ALA 798 N 4.37 1.76 0.00 5.21 0.00 -1.99 -0.04 119.26 128.56 1dp0 h ALA 798 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1dp0 h ALA 798 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1dp0 h ALA 798 CO 0.44 0.15 0.00 -2.37 0.00 0.00 0.00 179.25 177.47 1dp0 n THR 799 N -4.47 0.05 -2.80 0.00 5.66 -1.26 -4.39 114.28 107.07 1dp0 n THR 799 Ca 0.08 0.01 -0.02 0.00 -3.05 0.00 0.00 64.05 61.07 1dp0 n THR 799 Cb 0.20 -0.53 0.01 0.00 -1.55 0.00 0.00 70.33 68.46 1dp0 n THR 799 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1dp0 s ARG 800 N -2.76 0.71 0.32 1.09 3.52 -0.08 -5.14 118.95 116.62 1dp0 s ARG 800 Ca 0.21 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.91 1dp0 s ARG 800 Cb 0.19 -0.01 -0.10 0.00 -1.56 0.00 0.00 34.95 33.47 1dp0 s ARG 800 CO 0.47 -0.91 1.29 0.42 -0.81 0.00 0.00 175.30 175.76 1dp0 s ILE 801 N 1.15 2.81 -0.45 4.11 -1.09 -0.90 -1.73 121.20 125.10 1dp0 s ILE 801 Ca 0.25 0.81 -0.09 0.00 -2.23 0.00 0.00 60.65 59.39 1dp0 s ILE 801 Cb 0.03 -3.51 0.10 0.00 -1.58 0.00 0.00 42.46 37.50 1dp0 s ILE 801 CO -0.08 0.19 0.30 -0.62 -1.23 0.00 0.00 174.94 173.51 1dp0 s ASP 802 N -0.50 5.65 0.23 3.58 2.15 -1.26 -4.88 116.67 121.63 1dp0 s ASP 802 Ca 0.49 -1.75 0.19 0.00 0.43 0.00 0.00 52.55 51.91 1dp0 s ASP 802 Cb -0.39 -1.99 0.91 0.00 -0.30 0.00 0.00 42.92 41.15 1dp0 s ASP 802 CO 0.51 -0.62 1.58 -0.81 -0.17 0.00 0.00 175.17 175.66 1dp0 n PRO 803 N 4.90 0.13 0.07 4.34 -0.04 -1.26 -1.87 135.00 141.27 1dp0 n PRO 803 Ca -0.09 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1dp0 n PRO 803 Cb 0.42 -1.83 0.20 0.00 -0.04 0.00 0.00 33.50 32.25 1dp0 n PRO 803 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1dp0 h ASN 804 N 0.00 0.00 -3.99 3.54 -1.24 -1.96 -3.37 115.58 108.57 1dp0 h ASN 804 Ca 0.00 -0.17 -0.53 0.00 0.71 0.00 0.00 56.30 56.31 1dp0 h ASN 804 Cb 0.16 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.31 1dp0 h ASN 804 CO 0.00 0.09 0.60 0.00 -1.29 0.00 0.00 177.43 176.83 1dp0 s ALA 805 N -3.16 3.10 0.19 1.57 0.00 -0.78 -4.74 121.76 117.94 1dp0 s ALA 805 Ca 0.07 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 1dp0 s ALA 805 Cb 0.13 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.93 1dp0 s ALA 805 CO 0.70 -0.97 1.66 -1.49 0.00 0.00 0.00 175.76 175.66 1dp0 h TRP 806 N 2.23 -0.18 -0.85 0.00 4.06 -1.84 -0.79 115.95 118.58 1dp0 h TRP 806 Ca -0.50 0.04 0.11 0.00 2.06 0.00 0.00 58.89 60.60 1dp0 h TRP 806 Cb 1.26 0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 29.52 1dp0 h TRP 806 CO 0.51 -0.18 0.55 -0.24 -3.56 0.00 0.00 178.44 175.52 1dp0 h VAL 807 N 0.04 0.92 -0.03 1.49 3.04 -1.42 0.96 116.25 121.25 1dp0 h VAL 807 Ca 0.25 -0.26 -0.19 0.00 -1.01 0.00 0.00 66.70 65.48 1dp0 h VAL 807 Cb 0.38 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1dp0 h VAL 807 CO -0.49 0.14 -0.82 -0.33 -1.01 0.00 0.00 177.57 175.06 1dp0 h GLU 808 N 0.77 0.29 -0.34 4.17 4.39 -1.46 0.19 114.58 122.60 1dp0 h GLU 808 Ca 0.41 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1dp0 h GLU 808 Cb 0.51 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1dp0 h GLU 808 CO -0.17 0.96 -0.16 0.00 -1.16 0.00 0.00 179.01 178.48 1dp0 h ARG 809 N 0.18 0.70 -0.41 2.33 3.08 -0.18 -0.04 114.38 120.04 1dp0 h ARG 809 Ca -0.04 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1dp0 h ARG 809 Cb 1.42 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1dp0 h ARG 809 CO 0.13 0.90 0.19 -1.49 -1.07 0.00 0.00 179.97 178.64 1dp0 h TRP 810 N 0.47 0.59 -0.11 3.04 6.55 -0.72 -2.14 115.95 123.63 1dp0 h TRP 810 Ca 0.08 -0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.91 1dp0 h TRP 810 Cb 0.69 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.78 1dp0 h TRP 810 CO 0.06 0.50 -0.05 0.87 -1.05 0.00 0.00 178.44 178.77 1dp0 h LYS 811 N 0.52 -0.03 -0.30 0.49 1.57 -0.81 -1.80 116.57 116.21 1dp0 h LYS 811 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1dp0 h LYS 811 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1dp0 h LYS 811 CO -0.02 -0.02 0.04 0.00 -0.57 0.00 0.00 179.45 178.88 1dp0 h ALA 812 N 1.08 1.51 0.00 3.86 0.00 -0.91 -0.37 119.26 124.43 1dp0 h ALA 812 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dp0 h ALA 812 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dp0 h ALA 812 CO -0.13 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1dp0 n ALA 813 N -2.48 2.06 -0.70 0.00 0.00 -0.82 -4.92 120.51 113.65 1dp0 n ALA 813 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1dp0 n ALA 813 Cb 0.20 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1dp0 n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dp0 n GLY 814 N 0.89 0.61 0.34 0.00 0.00 -0.15 -4.83 105.19 102.05 1dp0 n GLY 814 Ca 0.06 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1dp0 n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1dp0 h HIS 815 N 0.00 0.76 0.00 1.61 3.86 -1.55 0.22 115.15 120.06 1dp0 h HIS 815 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1dp0 h HIS 815 Cb 0.00 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1dp0 h HIS 815 CO 0.00 0.47 -0.04 1.88 0.86 0.00 0.00 177.93 181.10 1dp0 h TYR 816 N 0.81 0.00 -0.11 2.45 -1.99 -1.87 -3.29 116.97 112.97 1dp0 h TYR 816 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1dp0 h TYR 816 Cb -0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1dp0 h TYR 816 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1dp0 n GLN 817 N -2.39 2.84 -2.04 4.88 10.64 -0.15 -5.02 117.38 126.15 1dp0 n GLN 817 Ca 0.05 -1.78 -0.40 0.00 -1.83 0.00 0.00 57.00 53.04 1dp0 n GLN 817 Cb 0.45 -1.14 -0.01 0.00 -0.86 0.00 0.00 30.24 28.68 1dp0 n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1dp0 s ALA 818 N -1.19 3.35 -0.08 2.61 0.00 -0.12 -5.01 121.76 121.32 1dp0 s ALA 818 Ca 0.10 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1dp0 s ALA 818 Cb 0.07 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1dp0 s ALA 818 CO 0.05 -0.82 -0.09 -1.21 0.00 0.00 0.00 175.76 173.69 1dp0 s GLU 819 N -2.13 2.82 -0.02 0.00 0.41 -1.23 -4.90 118.70 113.66 1dp0 s GLU 819 Ca 0.55 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 54.20 1dp0 s GLU 819 Cb -0.39 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.35 1dp0 s GLU 819 CO 0.51 0.57 1.38 0.00 -0.49 0.00 0.00 175.26 177.23 1dp0 s ALA 820 N -0.57 3.58 -0.17 5.21 0.00 -1.26 -3.31 121.76 125.24 1dp0 s ALA 820 Ca 0.08 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1dp0 s ALA 820 Cb -0.12 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1dp0 s ALA 820 CO 0.02 -0.93 0.01 0.00 0.00 0.00 0.00 175.76 174.85 1dp0 s ALA 821 N 2.52 3.19 0.01 0.00 0.00 0.14 -4.94 121.76 122.67 1dp0 s ALA 821 Ca 0.63 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1dp0 s ALA 821 Cb -0.30 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1dp0 s ALA 821 CO 0.25 0.18 1.07 -1.17 0.00 0.00 0.00 175.76 176.09 1dp0 s LEU 822 N 0.40 4.36 -0.10 0.00 2.96 -1.26 -0.97 118.68 124.07 1dp0 s LEU 822 Ca -0.01 1.78 0.12 0.00 -0.22 0.00 0.00 54.13 55.80 1dp0 s LEU 822 Cb -0.13 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 1dp0 s LEU 822 CO 0.02 -0.36 0.11 0.18 -1.32 0.00 0.00 176.35 174.97 1dp0 n LEU 823 N 4.07 0.00 -3.60 -0.68 4.77 0.66 -4.94 117.00 117.27 1dp0 n LEU 823 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1dp0 n LEU 823 Cb 0.49 0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 1dp0 n LEU 823 CO 0.53 0.23 0.55 -1.58 -1.33 0.00 0.00 177.39 175.80 1dp0 s GLN 824 N -2.47 0.77 -0.27 3.23 0.74 -0.94 -4.92 119.66 115.80 1dp0 s GLN 824 Ca -0.06 0.61 -0.02 0.00 0.05 0.00 0.00 55.36 55.94 1dp0 s GLN 824 Cb 0.05 0.37 0.16 0.00 1.10 0.00 0.00 33.01 34.69 1dp0 s GLN 824 CO 0.53 -0.16 0.49 0.00 -0.55 0.00 0.00 175.29 175.60 1dp0 s THR 826 N 2.70 0.88 -0.02 0.00 -4.23 0.54 -4.98 115.64 110.54 1dp0 s THR 826 Ca 0.16 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1dp0 s THR 826 Cb -0.15 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1dp0 s THR 826 CO -0.18 -0.54 -0.06 0.00 -0.54 0.00 0.00 174.62 173.29 1dp0 s ALA 827 N -3.52 0.62 0.04 3.99 0.00 -1.26 -0.67 121.76 120.97 1dp0 s ALA 827 Ca 0.22 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1dp0 s ALA 827 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1dp0 s ALA 827 CO 0.03 0.10 -0.09 -0.51 0.00 0.00 0.00 175.76 175.30 1dp0 s ASP 828 N 0.15 0.96 -0.25 0.00 1.01 0.08 -4.98 116.67 113.65 1dp0 s ASP 828 Ca -0.02 -0.48 -0.10 0.00 0.71 0.00 0.00 52.55 52.66 1dp0 s ASP 828 Cb -0.06 0.00 -0.05 0.00 1.01 0.00 0.00 42.92 43.82 1dp0 s ASP 828 CO -0.00 -0.14 0.16 -0.89 0.21 0.00 0.00 175.17 174.51 1dp0 s THR 829 N -1.15 5.24 0.34 -1.27 2.01 -1.26 -0.56 115.64 118.99 1dp0 s THR 829 Ca -0.07 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.12 1dp0 s THR 829 Cb -0.09 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 69.02 1dp0 s THR 829 CO 0.01 0.33 0.43 0.18 -0.69 0.00 0.00 174.62 174.87 1dp0 n LEU 830 N 4.49 0.00 -0.02 4.42 4.77 0.13 -4.99 117.00 125.80 1dp0 n LEU 830 Ca -0.15 -1.53 -0.09 0.00 -0.03 0.00 0.00 56.01 54.21 1dp0 n LEU 830 Cb 0.52 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1dp0 n LEU 830 CO 0.34 -0.59 0.83 0.00 -1.33 0.00 0.00 177.39 176.64 1dp0 h ALA 831 N 0.35 0.10 0.00 -1.18 0.00 -2.02 -3.31 119.26 113.20 1dp0 h ALA 831 Ca -0.17 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1dp0 h ALA 831 Cb 0.74 0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.46 1dp0 h ALA 831 CO 0.25 -0.48 -0.74 -0.40 0.00 0.00 0.00 179.25 177.87 1dp0 n ASP 832 N -5.18 1.15 -3.72 0.00 5.75 -1.26 -5.00 116.55 108.30 1dp0 n ASP 832 Ca -0.03 -2.59 -0.06 0.00 -0.01 0.00 0.00 54.79 52.09 1dp0 n ASP 832 Cb 0.11 -0.36 -0.02 0.00 -1.03 0.00 0.00 41.12 39.82 1dp0 n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dp0 s ALA 833 N -1.08 -1.52 -0.07 2.12 0.00 -1.25 -1.63 121.76 118.32 1dp0 s ALA 833 Ca 0.30 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1dp0 s ALA 833 Cb 0.32 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 24.14 1dp0 s ALA 833 CO -0.11 -0.96 -0.17 0.08 0.00 0.00 0.00 175.76 174.60 1dp0 s VAL 834 N -3.53 2.81 -0.14 0.00 1.01 0.00 0.20 120.40 120.75 1dp0 s VAL 834 Ca 0.10 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1dp0 s VAL 834 Cb -0.03 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1dp0 s VAL 834 CO 0.01 0.57 -0.16 -0.22 0.00 0.00 0.00 175.10 175.29 1dp0 s LEU 835 N -0.33 2.47 -0.10 3.92 2.96 0.28 -1.19 118.68 126.69 1dp0 s LEU 835 Ca 0.02 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1dp0 s LEU 835 Cb -0.13 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1dp0 s LEU 835 CO 0.02 0.11 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.43 1dp0 s ILE 836 N 0.66 3.28 -0.09 6.68 -1.09 0.45 -0.74 121.20 130.35 1dp0 s ILE 836 Ca -0.08 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1dp0 s ILE 836 Cb -0.16 -2.36 -0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1dp0 s ILE 836 CO 0.02 0.55 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.16 1dp0 s THR 837 N -0.12 2.12 0.13 2.92 2.01 0.16 0.20 115.64 123.06 1dp0 s THR 837 Ca -0.00 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.01 1dp0 s THR 837 Cb -0.13 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1dp0 s THR 837 CO 0.03 0.56 -0.06 0.42 -0.69 0.00 0.00 174.62 174.89 1dp0 s THR 838 N 0.19 0.83 -0.09 -0.82 -4.23 -0.53 -0.34 115.64 110.65 1dp0 s THR 838 Ca -0.14 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.33 1dp0 s THR 838 Cb -0.17 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 71.85 1dp0 s THR 838 CO 0.07 -0.72 0.22 0.00 -0.54 0.00 0.00 174.62 173.65 1dp0 s ALA 839 N -3.55 -0.51 0.06 3.99 0.00 -0.83 -0.60 121.76 120.33 1dp0 s ALA 839 Ca 0.17 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1dp0 s ALA 839 Cb 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1dp0 s ALA 839 CO -0.01 -0.15 -0.08 -1.01 0.00 0.00 0.00 175.76 174.52 1dp0 s HIS 840 N 0.69 0.75 -0.05 0.00 3.76 -0.10 -0.25 115.29 120.09 1dp0 s HIS 840 Ca -0.05 -0.62 0.06 0.00 -0.15 0.00 0.00 55.06 54.30 1dp0 s HIS 840 Cb -0.06 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.17 1dp0 s HIS 840 CO -0.04 -0.10 -0.22 0.00 -0.85 0.00 0.00 174.74 173.53 1dp0 s ALA 841 N -2.02 2.31 -0.22 -1.40 0.00 -0.14 -1.12 121.76 119.16 1dp0 s ALA 841 Ca -0.04 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1dp0 s ALA 841 Cb -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1dp0 s ALA 841 CO -0.01 0.48 0.04 -1.58 0.00 0.00 0.00 175.76 174.70 1dp0 s TRP 842 N -0.44 3.08 0.22 0.00 0.51 0.33 -0.68 118.94 121.96 1dp0 s TRP 842 Ca 0.05 -0.39 0.05 0.00 -2.12 0.00 0.00 56.10 53.69 1dp0 s TRP 842 Cb -0.12 -2.16 -0.05 0.00 -0.81 0.00 0.00 33.47 30.33 1dp0 s TRP 842 CO 0.01 -0.26 -0.07 -0.65 -0.51 0.00 0.00 176.95 175.47 1dp0 s GLN 843 N 1.25 1.32 -0.16 4.98 -0.21 -1.21 0.15 119.66 125.79 1dp0 s GLN 843 Ca 0.04 -1.63 -0.04 0.00 0.02 0.00 0.00 55.36 53.75 1dp0 s GLN 843 Cb -0.15 -0.84 0.08 0.00 1.00 0.00 0.00 33.01 33.11 1dp0 s GLN 843 CO 0.03 0.03 0.23 -1.58 -2.12 0.00 0.00 175.29 171.88 1dp0 s HIS 844 N -3.22 -0.34 -1.54 0.91 2.46 0.29 -3.51 115.29 110.33 1dp0 s HIS 844 Ca 0.25 0.59 -0.14 0.00 0.47 0.00 0.00 55.06 56.23 1dp0 s HIS 844 Cb 0.03 -0.21 0.09 0.00 -0.13 0.00 0.00 32.58 32.36 1dp0 s HIS 844 CO 0.07 -0.47 0.94 1.04 -2.47 0.00 0.00 174.74 173.85 1dp0 n GLN 845 N 5.33 -5.19 0.00 2.88 6.02 -1.26 -1.15 117.38 124.01 1dp0 n GLN 845 Ca -0.05 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1dp0 n GLN 845 Cb 0.50 -5.41 0.00 0.00 1.02 0.00 0.00 30.24 26.34 1dp0 n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dp0 n GLY 846 N -1.66 1.49 3.76 1.08 0.00 -1.26 -5.04 105.19 103.56 1dp0 n GLY 846 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1dp0 n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dp0 s LYS 847 N -0.50 4.02 -0.30 1.61 2.47 -0.30 -5.04 119.74 121.70 1dp0 s LYS 847 Ca 0.00 -0.19 -0.22 0.00 -1.56 0.00 0.00 55.97 54.00 1dp0 s LYS 847 Cb 0.00 -3.37 -0.01 0.00 -1.46 0.00 0.00 37.83 33.00 1dp0 s LYS 847 CO 0.00 0.41 0.71 0.99 0.16 0.00 0.00 175.35 177.62 1dp0 s THR 848 N 0.04 4.87 -0.15 3.43 2.01 -1.26 -0.55 115.64 124.04 1dp0 s THR 848 Ca 0.10 1.06 -0.13 0.00 0.31 0.00 0.00 61.69 63.03 1dp0 s THR 848 Cb -0.11 -4.07 -0.24 0.00 0.01 0.00 0.00 72.50 68.09 1dp0 s THR 848 CO -0.00 -0.17 0.34 -0.07 -0.69 0.00 0.00 174.62 174.02 1dp0 h LEU 849 N 9.27 0.28 -7.67 4.42 3.38 -0.65 -3.42 115.31 120.92 1dp0 h LEU 849 Ca -0.25 -0.79 -0.13 0.00 0.09 0.00 0.00 57.88 56.79 1dp0 h LEU 849 Cb 1.11 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 1dp0 h LEU 849 CO 0.84 1.71 -0.41 -0.36 0.09 0.00 0.00 178.44 180.31 1dp0 s PHE 850 N -2.49 -0.03 -0.08 1.13 0.40 -1.16 -1.18 117.98 114.57 1dp0 s PHE 850 Ca -0.24 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1dp0 s PHE 850 Cb 0.06 -0.00 0.01 0.00 0.51 0.00 0.00 43.02 43.60 1dp0 s PHE 850 CO 0.71 -0.33 -0.17 0.42 0.70 0.00 0.00 175.22 176.55 1dp0 s ILE 851 N -1.47 1.50 -0.21 0.64 1.01 0.33 -0.52 121.20 122.49 1dp0 s ILE 851 Ca -0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1dp0 s ILE 851 Cb -0.06 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1dp0 s ILE 851 CO 0.02 0.44 -0.11 -0.55 0.00 0.00 0.00 174.94 174.74 1dp0 s SER 852 N 0.53 3.82 -0.12 3.58 0.15 -0.28 -0.43 113.70 120.95 1dp0 s SER 852 Ca -0.16 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 55.97 1dp0 s SER 852 Cb -0.17 -1.63 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 1dp0 s SER 852 CO 0.06 -0.02 -0.18 -0.13 1.20 0.00 0.00 173.24 174.17 1dp0 s ARG 853 N 1.39 3.23 0.19 5.44 0.52 -0.24 -0.92 118.95 128.55 1dp0 s ARG 853 Ca 0.05 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1dp0 s ARG 853 Cb -0.14 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1dp0 s ARG 853 CO -0.07 0.17 0.13 0.15 0.02 0.00 0.00 175.30 175.69 1dp0 s LYS 854 N 0.43 1.17 0.04 3.54 1.02 0.23 -1.27 119.74 124.89 1dp0 s LYS 854 Ca -0.13 -1.60 0.04 0.00 0.02 0.00 0.00 55.97 54.30 1dp0 s LYS 854 Cb -0.17 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 1dp0 s LYS 854 CO 0.06 -0.38 -0.11 0.95 -0.92 0.00 0.00 175.35 174.95 1dp0 s THR 855 N -4.14 0.84 -0.14 2.17 -4.23 -0.78 -1.45 115.64 107.92 1dp0 s THR 855 Ca 0.37 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1dp0 s THR 855 Cb 0.07 -0.81 0.02 0.00 1.34 0.00 0.00 72.50 73.12 1dp0 s THR 855 CO 0.11 -0.15 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.57 1dp0 s TYR 856 N -1.01 2.20 -0.25 3.99 1.51 0.13 -0.86 117.35 123.06 1dp0 s TYR 856 Ca -0.03 -1.18 -0.01 0.00 -1.01 0.00 0.00 57.07 54.84 1dp0 s TYR 856 Cb -0.08 -1.59 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1dp0 s TYR 856 CO 0.01 -0.62 -0.07 0.50 -1.11 0.00 0.00 175.55 174.26 1dp0 s ARG 857 N 1.28 2.71 -0.27 -0.62 3.52 0.31 -0.41 118.95 125.47 1dp0 s ARG 857 Ca 0.01 -1.06 -0.08 0.00 -0.13 0.00 0.00 55.73 54.47 1dp0 s ARG 857 Cb -0.14 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1dp0 s ARG 857 CO -0.08 -0.44 0.11 0.42 -0.81 0.00 0.00 175.30 174.50 1dp0 s ILE 858 N 1.28 4.54 0.56 4.11 1.01 -0.34 -1.01 121.20 131.35 1dp0 s ILE 858 Ca -0.01 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1dp0 s ILE 858 Cb -0.17 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.19 1dp0 s ILE 858 CO -0.05 0.26 0.58 1.51 0.00 0.00 0.00 174.94 177.24 1dp0 s ASP 859 N 1.64 4.81 0.00 3.58 1.47 -0.87 -0.82 116.67 126.48 1dp0 s ASP 859 Ca 0.06 -1.10 0.07 0.00 1.18 0.00 0.00 52.55 52.76 1dp0 s ASP 859 Cb -0.16 0.42 0.31 0.00 -0.34 0.00 0.00 42.92 43.15 1dp0 s ASP 859 CO 0.05 -1.23 1.14 0.61 0.68 0.00 0.00 175.17 176.42 1dp0 n GLY 860 N -1.98 -0.61 0.36 2.12 0.00 -0.65 -0.82 105.19 103.60 1dp0 n GLY 860 Ca 0.06 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1dp0 n GLY 860 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dp0 n SER 861 N -1.39 1.37 0.00 1.61 3.41 -1.26 -4.67 113.62 112.69 1dp0 n SER 861 Ca 0.02 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1dp0 n SER 861 Cb 0.06 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1dp0 n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dp0 n GLY 862 N 1.33 0.68 3.89 5.00 0.00 -0.00 -5.02 105.19 111.06 1dp0 n GLY 862 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1dp0 n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dp0 s GLN 863 N -0.68 3.73 -0.22 1.61 -0.21 -1.26 -4.73 119.66 117.90 1dp0 s GLN 863 Ca 0.00 0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.60 1dp0 s GLN 863 Cb 0.00 -2.60 0.04 0.00 1.00 0.00 0.00 33.01 31.46 1dp0 s GLN 863 CO 0.00 0.21 -0.14 1.41 -2.12 0.00 0.00 175.29 174.66 1dp0 s MET 864 N -3.29 2.43 -0.20 2.91 -2.45 -0.49 -2.05 119.30 116.16 1dp0 s MET 864 Ca 0.47 -1.09 -0.17 0.00 -1.25 0.00 0.00 55.69 53.64 1dp0 s MET 864 Cb -0.11 -2.70 -0.03 0.00 1.25 0.00 0.00 34.83 33.23 1dp0 s MET 864 CO 0.26 -0.43 0.48 0.00 1.05 0.00 0.00 175.02 176.38 1dp0 s ALA 865 N 1.22 3.55 -0.17 4.11 0.00 -0.18 -1.06 121.76 129.22 1dp0 s ALA 865 Ca -0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1dp0 s ALA 865 Cb -0.17 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1dp0 s ALA 865 CO -0.08 -0.41 -0.06 0.42 0.00 0.00 0.00 175.76 175.62 1dp0 s ILE 866 N 1.57 3.47 -0.16 0.00 1.01 0.13 -0.53 121.20 126.70 1dp0 s ILE 866 Ca 0.22 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 1dp0 s ILE 866 Cb -0.15 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1dp0 s ILE 866 CO 0.09 0.47 -0.07 -0.89 0.00 0.00 0.00 174.94 174.54 1dp0 s THR 867 N 0.81 3.47 -0.07 2.92 2.01 -0.04 -1.52 115.64 123.21 1dp0 s THR 867 Ca -0.02 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1dp0 s THR 867 Cb -0.15 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1dp0 s THR 867 CO 0.01 0.49 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.56 1dp0 s VAL 868 N 0.61 1.59 -0.17 3.82 1.01 0.35 -1.86 120.40 125.76 1dp0 s VAL 868 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1dp0 s VAL 868 Cb -0.15 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.87 1dp0 s VAL 868 CO 0.03 0.46 -0.09 -1.81 0.00 0.00 0.00 175.10 173.68 1dp0 s ASP 869 N 0.34 2.91 -0.01 3.32 1.01 -0.40 -1.21 116.67 122.63 1dp0 s ASP 869 Ca -0.13 -0.66 0.06 0.00 0.71 0.00 0.00 52.55 52.53 1dp0 s ASP 869 Cb -0.15 -1.06 -0.03 0.00 1.01 0.00 0.00 42.92 42.69 1dp0 s ASP 869 CO 0.05 -0.14 -0.18 -0.69 0.21 0.00 0.00 175.17 174.42 1dp0 s VAL 870 N 1.54 2.73 -0.10 -1.27 1.01 0.10 -1.08 120.40 123.33 1dp0 s VAL 870 Ca 0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1dp0 s VAL 870 Cb -0.15 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1dp0 s VAL 870 CO -0.08 0.50 -0.07 -1.61 0.00 0.00 0.00 175.10 173.84 1dp0 s GLU 871 N -0.94 3.10 -0.15 2.72 2.02 0.43 -0.86 118.70 125.02 1dp0 s GLU 871 Ca 0.12 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1dp0 s GLU 871 Cb -0.10 -2.68 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1dp0 s GLU 871 CO 0.02 0.47 -0.19 0.08 0.02 0.00 0.00 175.26 175.66 1dp0 s VAL 872 N -0.29 1.89 0.15 2.63 1.01 0.55 -0.51 120.40 125.83 1dp0 s VAL 872 Ca 0.04 -0.86 -0.34 0.00 0.00 0.00 0.00 61.98 60.82 1dp0 s VAL 872 Cb -0.13 -1.70 -0.15 0.00 0.00 0.00 0.00 36.38 34.40 1dp0 s VAL 872 CO 0.02 0.51 1.43 0.00 0.00 0.00 0.00 175.10 177.07 1dp0 n ALA 873 N 4.36 0.33 0.28 5.51 0.00 -0.33 -4.64 120.51 126.02 1dp0 n ALA 873 Ca -0.20 0.47 0.16 0.00 0.00 0.00 0.00 53.44 53.88 1dp0 n ALA 873 Cb 0.51 -2.21 0.79 0.00 0.00 0.00 0.00 19.45 18.54 1dp0 n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dp0 h SER 874 N 4.95 0.00 -0.22 0.00 4.64 -1.94 -2.24 113.55 118.74 1dp0 h SER 874 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1dp0 h SER 874 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1dp0 h SER 874 CO 0.81 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.93 1dp0 n ASP 875 N -3.28 2.31 -4.92 4.97 5.75 -1.26 -4.89 116.55 115.23 1dp0 n ASP 875 Ca -0.01 -1.81 -0.28 0.00 -0.01 0.00 0.00 54.79 52.68 1dp0 n ASP 875 Cb 0.25 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 1dp0 n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1dp0 s THR 876 N -1.72 5.21 0.45 2.12 -1.32 -0.85 -5.03 115.64 114.51 1dp0 s THR 876 Ca 0.34 -0.34 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1dp0 s THR 876 Cb 0.19 -3.72 -0.08 0.00 -1.51 0.00 0.00 72.50 67.38 1dp0 s THR 876 CO 0.28 -0.15 1.41 -2.16 -2.21 0.00 0.00 174.62 171.80 1dp0 s PRO 877 N -3.25 3.68 0.23 7.08 0.04 -1.26 -4.86 135.00 136.67 1dp0 s PRO 877 Ca 0.38 2.39 -0.31 0.00 0.04 0.00 0.00 61.00 63.50 1dp0 s PRO 877 Cb -0.11 -2.64 -0.13 0.00 0.04 0.00 0.00 34.50 31.66 1dp0 s PRO 877 CO 0.29 -0.81 1.45 0.72 0.04 0.00 0.00 177.00 178.68 1dp0 n HIS 878 N -0.22 2.25 -1.90 0.56 8.25 -1.26 -4.92 115.22 117.98 1dp0 n HIS 878 Ca 0.05 0.39 -0.31 0.00 -0.26 0.00 0.00 57.72 57.60 1dp0 n HIS 878 Cb 0.42 -2.49 0.02 0.00 1.12 0.00 0.00 29.99 29.06 1dp0 n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1dp0 s PRO 879 N -0.23 3.37 0.31 -0.41 0.04 -1.26 -4.87 135.00 131.96 1dp0 s PRO 879 Ca 0.69 0.64 0.06 0.00 0.04 0.00 0.00 61.00 62.44 1dp0 s PRO 879 Cb -0.64 -2.07 0.52 0.00 0.04 0.00 0.00 34.50 32.35 1dp0 s PRO 879 CO 0.48 -0.70 1.76 0.00 0.04 0.00 0.00 177.00 178.58 1dp0 h ALA 880 N -0.40 1.20 -2.97 8.56 0.00 -1.89 -3.41 119.26 120.36 1dp0 h ALA 880 Ca -0.44 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.16 1dp0 h ALA 880 Cb 1.21 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1dp0 h ALA 880 CO 0.63 0.52 0.16 -0.98 0.00 0.00 0.00 179.25 179.58 1dp0 s ARG 881 N -4.39 1.70 -0.24 0.00 1.70 -1.21 -0.48 118.95 116.03 1dp0 s ARG 881 Ca -0.05 -0.99 -0.04 0.00 -0.47 0.00 0.00 55.73 54.17 1dp0 s ARG 881 Cb 0.14 0.58 0.08 0.00 -0.57 0.00 0.00 34.95 35.19 1dp0 s ARG 881 CO 0.77 -0.76 0.12 0.42 -1.08 0.00 0.00 175.30 174.77 1dp0 s ILE 882 N -3.92 -0.10 0.01 4.99 1.01 -0.03 -4.20 121.20 118.96 1dp0 s ILE 882 Ca 0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1dp0 s ILE 882 Cb -0.05 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1dp0 s ILE 882 CO 0.06 -0.52 0.03 0.61 0.00 0.00 0.00 174.94 175.11 1dp0 n GLY 883 N 5.27 1.62 3.39 6.18 0.00 -0.58 -0.59 105.19 120.48 1dp0 n GLY 883 Ca -0.06 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 1dp0 n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 884 N 0.00 2.56 0.05 0.99 1.43 0.31 -0.84 118.68 123.18 1dp0 s LEU 884 Ca 0.01 -1.02 -0.14 0.00 -1.03 0.00 0.00 54.13 51.95 1dp0 s LEU 884 Cb -0.00 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.41 1dp0 s LEU 884 CO 0.00 -0.09 0.31 0.54 0.23 0.00 0.00 176.35 177.34 1dp0 s ASN 885 N -3.36 -0.12 0.11 2.29 4.22 0.02 -1.10 114.94 117.00 1dp0 s ASN 885 Ca 0.25 -0.21 -0.25 0.00 -2.14 0.00 0.00 52.86 50.51 1dp0 s ASN 885 Cb -0.02 0.36 0.08 0.00 1.28 0.00 0.00 41.25 42.94 1dp0 s ASN 885 CO 0.10 -0.63 0.66 0.00 -2.04 0.00 0.00 177.10 175.18 1dp0 s GLN 887 N -3.37 3.19 0.42 0.00 0.74 -1.24 -1.59 119.66 117.81 1dp0 s GLN 887 Ca 0.00 -0.83 -0.22 0.00 0.05 0.00 0.00 55.36 54.37 1dp0 s GLN 887 Cb -0.01 -3.63 -0.10 0.00 1.10 0.00 0.00 33.01 30.37 1dp0 s GLN 887 CO -0.10 -0.50 0.97 -0.51 -0.55 0.00 0.00 175.29 174.60 1dp0 s LEU 888 N 1.60 4.02 0.33 3.68 1.43 0.19 0.04 118.68 129.98 1dp0 s LEU 888 Ca 0.04 1.79 0.15 0.00 -1.03 0.00 0.00 54.13 55.08 1dp0 s LEU 888 Cb -0.18 -4.41 0.53 0.00 0.03 0.00 0.00 46.19 42.16 1dp0 s LEU 888 CO 0.07 -0.39 1.68 0.00 0.23 0.00 0.00 176.35 177.94 1dp0 h ALA 889 N 2.15 0.99 -2.36 4.21 0.00 -1.21 -1.59 119.26 121.44 1dp0 h ALA 889 Ca -0.49 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 53.48 1dp0 h ALA 889 Cb 1.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1dp0 h ALA 889 CO 0.62 0.61 0.09 -1.14 0.00 0.00 0.00 179.25 179.42 1dp0 s GLN 890 N -3.61 4.04 -0.19 0.00 0.74 -1.26 -4.24 119.66 115.14 1dp0 s GLN 890 Ca -0.01 0.69 0.01 0.00 0.05 0.00 0.00 55.36 56.11 1dp0 s GLN 890 Cb 0.12 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.73 1dp0 s GLN 890 CO 0.72 0.21 -0.17 0.08 -0.55 0.00 0.00 175.29 175.58 1dp0 s VAL 891 N -1.88 2.01 0.27 1.34 1.01 -1.26 -3.31 120.40 118.57 1dp0 s VAL 891 Ca 0.52 -1.05 0.11 0.00 0.00 0.00 0.00 61.98 61.56 1dp0 s VAL 891 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1dp0 s VAL 891 CO 0.18 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 1dp0 s ALA 892 N 1.28 2.82 0.19 5.51 0.00 -1.26 -5.05 121.76 125.25 1dp0 s ALA 892 Ca 0.02 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 1dp0 s ALA 892 Cb -0.15 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.69 1dp0 s ALA 892 CO -0.11 0.30 1.47 0.93 0.00 0.00 0.00 175.76 178.35 1dp0 h GLU 893 N 2.30 0.41 -5.99 0.00 5.08 -2.00 -3.42 114.58 110.96 1dp0 h GLU 893 Ca -0.42 -0.31 -0.59 0.00 -1.00 0.00 0.00 59.36 57.05 1dp0 h GLU 893 Cb 1.25 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.42 1dp0 h GLU 893 CO 0.59 0.93 -0.72 1.03 -1.00 0.00 0.00 179.01 179.84 1dp0 s ARG 894 N -3.72 1.69 -0.08 2.33 1.81 -1.26 -0.73 118.95 118.98 1dp0 s ARG 894 Ca -0.06 -1.82 0.01 0.00 -1.72 0.00 0.00 55.73 52.15 1dp0 s ARG 894 Cb 0.11 -1.63 0.02 0.00 -0.45 0.00 0.00 34.95 32.99 1dp0 s ARG 894 CO 0.83 0.22 -0.10 0.08 -0.68 0.00 0.00 175.30 175.66 1dp0 s VAL 895 N -2.63 1.04 -0.09 3.52 1.01 0.56 -4.56 120.40 119.25 1dp0 s VAL 895 Ca 0.30 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1dp0 s VAL 895 Cb -0.01 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1dp0 s VAL 895 CO 0.15 0.35 -0.16 0.21 0.00 0.00 0.00 175.10 175.65 1dp0 s ASN 896 N 1.13 2.26 0.06 3.32 3.84 -1.01 -1.54 114.94 123.00 1dp0 s ASN 896 Ca -0.06 -0.39 -0.07 0.00 0.21 0.00 0.00 52.86 52.55 1dp0 s ASN 896 Cb -0.14 -1.03 -0.01 0.00 -0.55 0.00 0.00 41.25 39.52 1dp0 s ASN 896 CO -0.02 0.05 0.14 -1.66 -2.79 0.00 0.00 177.10 172.82 1dp0 s TRP 897 N 0.70 0.19 -0.38 0.43 -2.14 -0.24 -0.18 118.94 117.32 1dp0 s TRP 897 Ca -0.13 -0.54 -0.06 0.00 2.66 0.00 0.00 56.10 58.02 1dp0 s TRP 897 Cb -0.16 -0.12 0.07 0.00 -3.10 0.00 0.00 33.47 30.16 1dp0 s TRP 897 CO 0.03 -0.44 0.17 -1.17 -2.66 0.00 0.00 176.95 172.87 1dp0 s LEU 898 N -2.47 4.74 0.00 -4.66 2.96 -0.05 -0.04 118.68 119.16 1dp0 s LEU 898 Ca -0.00 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.47 1dp0 s LEU 898 Cb 0.02 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1dp0 s LEU 898 CO -0.07 -0.43 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 1dp0 n GLY 899 N 4.79 -1.02 3.74 7.98 0.00 -0.67 -0.26 105.19 119.74 1dp0 n GLY 899 Ca -0.10 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1dp0 n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 900 N 0.00 4.41 0.00 0.99 1.43 -0.90 -2.05 118.68 122.56 1dp0 s LEU 900 Ca 0.00 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1dp0 s LEU 900 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1dp0 s LEU 900 CO 0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1dp0 n GLY 901 N 2.32 0.53 0.11 -3.19 0.00 -0.06 -4.47 105.19 100.42 1dp0 n GLY 901 Ca 0.06 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1dp0 n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dp0 h PRO 902 N 0.00 0.00 -7.39 1.61 0.13 -1.93 -0.32 132.00 124.10 1dp0 h PRO 902 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1dp0 h PRO 902 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1dp0 h PRO 902 CO 0.00 0.00 0.33 -0.65 -0.23 0.00 0.00 178.00 177.45 1dp0 s GLN 903 N -3.23 2.59 0.25 0.86 -0.21 -1.26 -5.00 119.66 113.66 1dp0 s GLN 903 Ca 0.05 0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.29 1dp0 s GLN 903 Cb 0.11 -2.09 -0.14 0.00 1.00 0.00 0.00 33.01 31.89 1dp0 s GLN 903 CO 0.72 -1.10 1.24 -1.91 -2.12 0.00 0.00 175.29 172.12 1dp0 n GLU 904 N -2.95 1.65 -3.76 2.91 2.13 -1.26 -4.88 120.64 114.48 1dp0 n GLU 904 Ca 0.07 0.59 -0.13 0.00 0.66 0.00 0.00 57.16 58.34 1dp0 n GLU 904 Cb 0.59 -2.12 -0.11 0.00 0.27 0.00 0.00 31.44 30.06 1dp0 n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1dp0 s ASN 905 N -0.06 -0.34 0.31 4.31 2.20 0.10 -4.93 114.94 116.53 1dp0 s ASN 905 Ca 0.66 0.66 0.08 0.00 -0.94 0.00 0.00 52.86 53.32 1dp0 s ASN 905 Cb -0.71 0.67 -0.06 0.00 -2.00 0.00 0.00 41.25 39.16 1dp0 s ASN 905 CO 0.54 -0.13 -0.09 -0.31 -2.94 0.00 0.00 177.10 174.18 1dp0 s TYR 906 N 0.14 2.19 0.31 1.54 1.51 -0.89 -3.79 117.35 118.36 1dp0 s TYR 906 Ca -0.00 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 1dp0 s TYR 906 Cb -0.02 -1.23 0.78 0.00 -0.11 0.00 0.00 41.96 41.38 1dp0 s TYR 906 CO 0.01 0.46 1.77 -1.35 -1.11 0.00 0.00 175.55 175.33 1dp0 h PRO 907 N 2.16 0.70 -0.21 -1.71 0.11 -1.86 0.18 132.00 131.37 1dp0 h PRO 907 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1dp0 h PRO 907 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1dp0 h PRO 907 CO 0.68 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 1dp0 n ASP 908 N -4.77 2.52 -3.12 -2.05 5.75 -1.26 -4.36 116.55 109.25 1dp0 n ASP 908 Ca 0.24 -1.84 -0.19 0.00 -0.01 0.00 0.00 54.79 52.99 1dp0 n ASP 908 Cb 0.61 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 1dp0 n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1dp0 n ARG 909 N 0.90 0.87 -0.04 0.11 0.63 0.59 -0.70 116.66 119.02 1dp0 n ARG 909 Ca 0.17 -3.10 0.00 0.00 -0.92 0.00 0.00 57.85 54.01 1dp0 n ARG 909 Cb 0.48 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.94 1dp0 n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1dp0 n LEU 910 N 0.79 0.60 0.09 6.15 -0.00 -0.98 -2.09 117.00 121.56 1dp0 n LEU 910 Ca 0.21 -0.70 0.00 0.00 -0.00 0.00 0.00 56.01 55.52 1dp0 n LEU 910 Cb 0.61 -0.01 0.32 0.00 -0.00 0.00 0.00 43.42 44.34 1dp0 n LEU 910 CO 0.17 0.17 0.82 0.71 -0.00 0.00 0.00 177.39 179.27 1dp0 h THR 911 N 2.43 1.22 0.00 1.47 1.35 -1.91 -2.33 112.91 115.14 1dp0 h THR 911 Ca 0.00 -1.02 -0.05 0.00 -0.55 0.00 0.00 66.41 64.79 1dp0 h THR 911 Cb 0.90 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1dp0 h THR 911 CO 0.00 0.32 -0.24 0.00 -0.25 0.00 0.00 175.52 175.34 1dp0 h ALA 912 N 1.52 1.01 -2.44 6.62 0.00 -1.88 -3.45 119.26 120.64 1dp0 h ALA 912 Ca 0.05 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 54.24 1dp0 h ALA 912 Cb 0.51 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.32 1dp0 h ALA 912 CO 0.03 0.30 0.40 0.00 0.00 0.00 0.00 179.25 179.99 1dp0 s ALA 913 N -3.63 2.71 0.14 0.00 0.00 -0.88 -5.00 121.76 115.11 1dp0 s ALA 913 Ca 0.01 0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.68 1dp0 s ALA 913 Cb 0.10 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1dp0 s ALA 913 CO 0.64 -0.75 -0.23 0.00 0.00 0.00 0.00 175.76 175.43 1dp0 s PHE 915 N -1.40 3.48 0.01 0.00 5.36 -1.26 -0.88 117.98 123.29 1dp0 s PHE 915 Ca 0.13 1.23 -0.02 0.00 -0.96 0.00 0.00 56.93 57.32 1dp0 s PHE 915 Cb -0.09 -2.92 0.01 0.00 -0.34 0.00 0.00 43.02 39.68 1dp0 s PHE 915 CO 0.06 -0.11 0.07 -3.47 -1.46 0.00 0.00 175.22 170.31 1dp0 n ASP 916 N 4.65 -0.11 -4.57 6.13 -0.08 -0.87 -4.91 116.55 116.79 1dp0 n ASP 916 Ca 0.02 -1.05 -0.40 0.00 -1.51 0.00 0.00 54.79 51.85 1dp0 n ASP 916 Cb 0.50 0.17 -0.10 0.00 2.34 0.00 0.00 41.12 44.04 1dp0 n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1dp0 s ARG 917 N -2.00 3.74 0.23 -0.67 6.06 -1.26 -1.68 118.95 123.37 1dp0 s ARG 917 Ca 0.02 -0.29 0.09 0.00 -2.50 0.00 0.00 55.73 53.05 1dp0 s ARG 917 Cb -0.00 -3.74 -0.04 0.00 0.06 0.00 0.00 34.95 31.22 1dp0 s ARG 917 CO 0.00 -0.40 -0.03 -1.58 -2.50 0.00 0.00 175.30 170.80 1dp0 s TRP 918 N 1.98 2.70 -0.25 5.12 0.52 0.94 -4.95 118.94 125.00 1dp0 s TRP 918 Ca 0.12 -0.21 -0.03 0.00 0.02 0.00 0.00 56.10 56.00 1dp0 s TRP 918 Cb -0.16 -1.24 0.14 0.00 -1.15 0.00 0.00 33.47 31.06 1dp0 s TRP 918 CO 0.11 0.58 0.42 0.34 0.02 0.00 0.00 176.95 178.42 1dp0 s ASP 919 N -3.37 -0.08 0.20 2.95 -1.08 -1.26 -1.08 116.67 112.95 1dp0 s ASP 919 Ca 0.29 0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.76 1dp0 s ASP 919 Cb -0.07 1.32 -0.05 0.00 -1.46 0.00 0.00 42.92 42.66 1dp0 s ASP 919 CO 0.19 -0.29 -0.04 -0.76 0.52 0.00 0.00 175.17 174.79 1dp0 s LEU 920 N 2.61 2.32 0.53 -1.34 1.43 -0.59 -4.96 118.68 118.67 1dp0 s LEU 920 Ca 0.13 -1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 51.89 1dp0 s LEU 920 Cb -0.15 -0.31 -0.06 0.00 0.03 0.00 0.00 46.19 45.69 1dp0 s LEU 920 CO -0.17 -0.44 1.14 -2.16 0.23 0.00 0.00 176.35 174.96 1dp0 s PRO 921 N -3.82 3.42 0.29 1.29 0.04 -1.26 -0.32 135.00 134.63 1dp0 s PRO 921 Ca 0.24 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1dp0 s PRO 921 Cb 0.04 -2.08 0.71 0.00 0.04 0.00 0.00 34.50 33.21 1dp0 s PRO 921 CO 0.06 -0.81 1.71 1.25 0.04 0.00 0.00 177.00 179.25 1dp0 h LEU 922 N 1.35 0.41 -2.37 -3.56 5.85 -1.18 -0.33 115.31 115.47 1dp0 h LEU 922 Ca -0.50 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1dp0 h LEU 922 Cb 1.26 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1dp0 h LEU 922 CO 0.57 0.06 -0.03 0.77 -0.34 0.00 0.00 178.44 179.47 1dp0 h SER 923 N 0.47 0.00 0.52 1.25 4.64 -1.90 0.11 113.55 118.63 1dp0 h SER 923 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1dp0 h SER 923 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1dp0 h SER 923 CO -0.49 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 175.97 1dp0 n ASP 924 N -3.68 0.00 -0.82 4.97 8.00 -0.14 -2.56 116.55 122.33 1dp0 n ASP 924 Ca -0.03 0.12 0.10 0.00 0.71 0.00 0.00 54.79 55.69 1dp0 n ASP 924 Cb 0.13 -0.35 0.27 0.00 -0.02 0.00 0.00 41.12 41.15 1dp0 n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1dp0 n MET 925 N -1.35 2.05 -5.19 -1.24 2.81 0.39 -4.77 117.12 109.83 1dp0 n MET 925 Ca 0.09 -1.61 -0.30 0.00 -1.81 0.00 0.00 57.70 54.07 1dp0 n MET 925 Cb 0.20 -1.41 -0.16 0.00 -0.71 0.00 0.00 33.22 31.14 1dp0 n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1dp0 s TYR 926 N -1.55 2.28 -0.23 2.03 5.04 -1.06 -4.47 117.35 119.39 1dp0 s TYR 926 Ca 0.33 -0.63 -0.06 0.00 -2.44 0.00 0.00 57.07 54.27 1dp0 s TYR 926 Cb 0.18 -1.49 -0.03 0.00 0.35 0.00 0.00 41.96 40.97 1dp0 s TYR 926 CO 0.25 -0.18 0.04 0.99 -1.34 0.00 0.00 175.55 175.31 1dp0 s THR 927 N -0.21 4.14 -1.52 4.34 2.01 -1.26 -4.97 115.64 118.17 1dp0 s THR 927 Ca -0.01 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1dp0 s THR 927 Cb -0.13 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1dp0 s THR 927 CO 0.03 0.38 2.70 -0.81 -0.69 0.00 0.00 174.62 176.22 1dp0 n PRO 928 N 4.62 3.86 -1.75 4.92 -0.04 -1.26 -4.88 135.00 140.47 1dp0 n PRO 928 Ca -0.17 -2.63 -0.42 0.00 -0.04 0.00 0.00 63.50 60.24 1dp0 n PRO 928 Cb 0.51 -2.81 -0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1dp0 n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dp0 n TYR 929 N 3.33 2.82 -0.20 0.54 0.53 -1.26 -4.87 117.16 118.06 1dp0 n TYR 929 Ca 0.70 0.44 -0.03 0.00 -1.02 0.00 0.00 57.90 57.99 1dp0 n TYR 929 Cb 0.26 -2.52 0.07 0.00 -1.03 0.00 0.00 39.34 36.12 1dp0 n TYR 929 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1dp0 h VAL 930 N 2.92 0.97 -3.55 -0.72 2.07 -1.96 -3.31 116.25 112.67 1dp0 h VAL 930 Ca -0.49 -0.21 -0.68 0.00 0.82 0.00 0.00 66.70 66.14 1dp0 h VAL 930 Cb 1.25 0.32 -0.18 0.00 -1.52 0.00 0.00 31.29 31.16 1dp0 h VAL 930 CO 0.66 0.11 -0.15 0.12 0.02 0.00 0.00 177.57 178.33 1dp0 s PHE 931 N -6.12 3.15 0.40 1.57 5.36 -1.26 -0.79 117.98 120.29 1dp0 s PHE 931 Ca -0.13 -0.30 -0.27 0.00 -0.96 0.00 0.00 56.93 55.28 1dp0 s PHE 931 Cb 0.15 -2.97 -0.09 0.00 -0.34 0.00 0.00 43.02 39.76 1dp0 s PHE 931 CO 0.75 -0.72 1.35 -2.14 -1.46 0.00 0.00 175.22 172.99 1dp0 s PRO 932 N 2.26 4.00 0.30 10.12 0.02 -1.25 -4.96 135.00 145.50 1dp0 s PRO 932 Ca 0.14 2.26 -0.09 0.00 0.02 0.00 0.00 61.00 63.34 1dp0 s PRO 932 Cb -0.16 -2.82 0.03 0.00 0.02 0.00 0.00 34.50 31.57 1dp0 s PRO 932 CO 0.15 -0.50 0.55 -1.13 -0.33 0.00 0.00 177.00 175.73 1dp0 n SER 933 N 0.23 -1.58 -4.64 2.53 3.41 -1.26 -4.73 113.62 107.58 1dp0 n SER 933 Ca 0.03 -2.31 -0.45 0.00 -0.26 0.00 0.00 58.87 55.87 1dp0 n SER 933 Cb 0.42 2.69 -0.02 0.00 -0.26 0.00 0.00 64.21 67.04 1dp0 n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1dp0 n GLU 934 N -0.43 1.71 -3.71 4.33 4.07 -0.55 -4.94 120.64 121.12 1dp0 n GLU 934 Ca -0.05 0.61 -0.07 0.00 -0.06 0.00 0.00 57.16 57.59 1dp0 n GLU 934 Cb 0.46 -2.16 -0.02 0.00 -0.06 0.00 0.00 31.44 29.66 1dp0 n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1dp0 s ASN 935 N -0.02 -0.32 0.00 4.31 2.20 -1.26 -4.91 114.94 114.94 1dp0 s ASN 935 Ca 0.66 -0.38 0.00 0.00 -0.94 0.00 0.00 52.86 52.20 1dp0 s ASN 935 Cb -0.69 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.18 1dp0 s ASN 935 CO 0.54 -1.11 0.00 0.61 -2.94 0.00 0.00 177.10 174.20 1dp0 n GLY 936 N -0.43 0.90 3.72 0.45 0.00 -1.26 -4.79 105.19 103.78 1dp0 n GLY 936 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1dp0 n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1dp0 n LEU 937 N 0.00 5.57 -4.03 0.99 7.94 -1.26 -4.64 117.00 121.57 1dp0 n LEU 937 Ca 0.00 0.90 -0.23 0.00 -1.11 0.00 0.00 56.01 55.57 1dp0 n LEU 937 Cb 0.00 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.24 1dp0 n LEU 937 CO 0.00 -0.88 -0.46 -0.13 -1.11 0.00 0.00 177.39 174.81 1dp0 s ARG 938 N -3.07 1.41 0.54 1.96 3.00 -0.30 0.02 118.95 122.51 1dp0 s ARG 938 Ca 0.77 -0.39 0.07 0.00 0.00 0.00 0.00 55.73 56.18 1dp0 s ARG 938 Cb -0.40 -1.23 0.05 0.00 0.00 0.00 0.00 34.95 33.37 1dp0 s ARG 938 CO 0.45 0.09 0.56 0.00 0.00 0.00 0.00 175.30 176.40 1dp0 n GLY 940 N -1.93 -0.51 3.78 0.00 0.00 -1.18 -2.11 105.19 103.23 1dp0 n GLY 940 Ca 0.06 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1dp0 n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dp0 s THR 941 N -3.09 5.10 -0.04 2.61 2.01 0.12 -3.83 115.64 118.51 1dp0 s THR 941 Ca 0.37 0.88 0.14 0.00 0.31 0.00 0.00 61.69 63.39 1dp0 s THR 941 Cb -0.18 -3.75 -0.22 0.00 0.01 0.00 0.00 72.50 68.36 1dp0 s THR 941 CO 0.46 0.46 0.28 0.54 -0.69 0.00 0.00 174.62 175.67 1dp0 n ARG 942 N 2.69 0.66 -3.69 4.92 5.12 0.63 -1.67 116.66 125.32 1dp0 n ARG 942 Ca -0.11 -0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.58 1dp0 n ARG 942 Cb 0.52 -1.35 -0.09 0.00 -1.16 0.00 0.00 32.46 30.37 1dp0 n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1dp0 s GLU 943 N -2.92 0.56 -0.05 5.56 2.12 -1.19 -1.19 118.70 121.59 1dp0 s GLU 943 Ca -0.06 0.77 0.02 0.00 0.36 0.00 0.00 54.97 56.07 1dp0 s GLU 943 Cb 0.09 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.69 1dp0 s GLU 943 CO 0.61 -0.10 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.95 1dp0 s LEU 944 N 0.65 1.63 -0.10 2.70 2.96 0.50 -0.87 118.68 126.15 1dp0 s LEU 944 Ca -0.03 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1dp0 s LEU 944 Cb -0.05 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.93 1dp0 s LEU 944 CO -0.04 0.03 -0.20 0.20 -1.32 0.00 0.00 176.35 175.02 1dp0 s ASN 945 N 0.58 2.70 -0.20 3.68 0.01 0.75 -0.80 114.94 121.66 1dp0 s ASN 945 Ca -0.11 -0.49 -0.04 0.00 -0.71 0.00 0.00 52.86 51.51 1dp0 s ASN 945 Cb -0.14 -1.24 0.10 0.00 0.41 0.00 0.00 41.25 40.38 1dp0 s ASN 945 CO 0.02 0.10 0.30 -0.47 -1.51 0.00 0.00 177.10 175.55 1dp0 s TYR 946 N 0.57 -0.54 0.00 2.20 5.04 -0.60 -2.40 117.35 121.62 1dp0 s TYR 946 Ca -0.15 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 1dp0 s TYR 946 Cb -0.17 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.04 1dp0 s TYR 946 CO 0.05 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1dp0 n GLY 947 N 5.35 2.96 0.43 8.97 0.00 -1.26 -1.08 105.19 120.55 1dp0 n GLY 947 Ca -0.05 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1dp0 n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dp0 n PRO 948 N 13.59 1.46 -3.52 1.61 -0.04 -1.26 -4.91 135.00 141.93 1dp0 n PRO 948 Ca 0.00 -0.87 -0.30 0.00 -0.04 0.00 0.00 63.50 62.29 1dp0 n PRO 948 Cb 0.00 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 1dp0 n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1dp0 s HIS 949 N -2.14 3.47 -0.02 0.54 3.76 -0.24 -2.71 115.29 117.94 1dp0 s HIS 949 Ca 0.34 0.60 0.01 0.00 -0.15 0.00 0.00 55.06 55.86 1dp0 s HIS 949 Cb 0.20 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.85 1dp0 s HIS 949 CO 0.39 0.31 -0.02 -1.14 -0.85 0.00 0.00 174.74 173.42 1dp0 s GLN 950 N -3.11 0.34 -0.07 1.40 0.74 -0.38 -1.55 119.66 117.02 1dp0 s GLN 950 Ca 0.43 -0.01 0.05 0.00 0.05 0.00 0.00 55.36 55.87 1dp0 s GLN 950 Cb -0.11 -0.43 -0.00 0.00 1.10 0.00 0.00 33.01 33.56 1dp0 s GLN 950 CO 0.27 -0.05 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.15 1dp0 s TRP 951 N 0.60 2.26 0.06 1.67 0.51 0.02 -0.97 118.94 123.08 1dp0 s TRP 951 Ca -0.06 -0.76 0.08 0.00 -2.12 0.00 0.00 56.10 53.24 1dp0 s TRP 951 Cb -0.09 -1.50 -0.03 0.00 -0.81 0.00 0.00 33.47 31.04 1dp0 s TRP 951 CO -0.01 -0.27 -0.22 1.03 -0.51 0.00 0.00 176.95 176.97 1dp0 s ARG 952 N 0.08 1.45 0.00 4.98 0.52 -0.01 -0.37 118.95 125.60 1dp0 s ARG 952 Ca -0.09 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1dp0 s ARG 952 Cb -0.15 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1dp0 s ARG 952 CO 0.05 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.19 1dp0 n GLY 953 N 1.67 -0.69 2.78 -3.53 0.00 -0.33 -1.04 105.19 104.06 1dp0 n GLY 953 Ca -0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1dp0 n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dp0 s ASP 954 N -4.00 -0.01 0.30 1.61 2.15 -1.24 -4.28 116.67 111.19 1dp0 s ASP 954 Ca 0.00 -1.74 0.05 0.00 0.43 0.00 0.00 52.55 51.29 1dp0 s ASP 954 Cb 0.00 1.01 -0.03 0.00 -0.30 0.00 0.00 42.92 43.60 1dp0 s ASP 954 CO 0.00 -0.17 0.24 0.72 -0.17 0.00 0.00 175.17 175.79 1dp0 s PHE 955 N 1.11 1.62 0.10 -5.34 -0.12 -0.67 -4.89 117.98 109.79 1dp0 s PHE 955 Ca 0.23 -1.60 0.08 0.00 -0.05 0.00 0.00 56.93 55.59 1dp0 s PHE 955 Cb -0.06 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1dp0 s PHE 955 CO -0.07 -0.82 -0.13 -0.65 -0.05 0.00 0.00 175.22 173.51 1dp0 s GLN 956 N -3.61 2.03 0.18 1.99 -1.52 -0.16 -0.70 119.66 117.87 1dp0 s GLN 956 Ca 0.40 -1.06 -0.12 0.00 -1.95 0.00 0.00 55.36 52.63 1dp0 s GLN 956 Cb 0.03 -2.25 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1dp0 s GLN 956 CO 0.24 0.50 0.38 -0.59 -0.25 0.00 0.00 175.29 175.58 1dp0 s PHE 957 N -1.17 0.22 0.06 0.91 -0.12 -0.27 0.46 117.98 118.07 1dp0 s PHE 957 Ca 0.20 -0.58 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1dp0 s PHE 957 Cb -0.11 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1dp0 s PHE 957 CO 0.12 -0.81 -0.06 0.54 -0.05 0.00 0.00 175.22 174.96 1dp0 s ASN 958 N -2.94 0.82 -0.20 1.98 2.20 -0.25 -1.14 114.94 115.40 1dp0 s ASN 958 Ca 0.15 -0.82 -0.10 0.00 -0.94 0.00 0.00 52.86 51.15 1dp0 s ASN 958 Cb 0.01 0.10 0.07 0.00 -2.00 0.00 0.00 41.25 39.43 1dp0 s ASN 958 CO -0.00 -0.40 0.47 -0.51 -2.94 0.00 0.00 177.10 173.72 1dp0 s ILE 959 N -2.80 -0.08 0.15 0.54 2.07 -1.26 -1.26 121.20 118.57 1dp0 s ILE 959 Ca 0.01 0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 59.10 1dp0 s ILE 959 Cb -0.00 -0.70 0.08 0.00 0.13 0.00 0.00 42.46 41.97 1dp0 s ILE 959 CO -0.04 0.03 1.08 -0.94 -1.91 0.00 0.00 174.94 173.16 1dp0 s SER 960 N 1.55 -0.01 -0.04 4.50 1.04 -0.61 -4.59 113.70 115.54 1dp0 s SER 960 Ca -0.09 -0.58 0.10 0.00 0.48 0.00 0.00 55.95 55.86 1dp0 s SER 960 Cb -0.08 0.44 0.37 0.00 0.10 0.00 0.00 66.02 66.85 1dp0 s SER 960 CO -0.14 -0.87 1.24 0.54 0.98 0.00 0.00 173.24 174.99 1dp0 n ARG 961 N -0.71 2.28 -4.51 4.02 5.12 -1.26 0.90 116.66 122.51 1dp0 n ARG 961 Ca -0.02 -1.48 -0.29 0.00 -1.93 0.00 0.00 57.85 54.13 1dp0 n ARG 961 Cb 0.59 -1.50 -0.17 0.00 -1.16 0.00 0.00 32.46 30.23 1dp0 n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1dp0 s TYR 962 N -1.63 2.00 0.65 -1.55 1.51 -1.26 -1.17 117.35 115.90 1dp0 s TYR 962 Ca 0.27 -0.93 -0.14 0.00 -1.01 0.00 0.00 57.07 55.26 1dp0 s TYR 962 Cb 0.16 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 1dp0 s TYR 962 CO 0.15 -0.47 1.08 -1.54 -1.11 0.00 0.00 175.55 173.66 1dp0 s SER 963 N 0.93 5.36 0.37 2.29 1.04 -1.26 -4.82 113.70 117.62 1dp0 s SER 963 Ca -0.08 1.85 0.07 0.00 0.48 0.00 0.00 55.95 58.27 1dp0 s SER 963 Cb -0.15 -2.53 0.78 0.00 0.10 0.00 0.00 66.02 64.22 1dp0 s SER 963 CO -0.01 -1.45 1.97 1.56 0.98 0.00 0.00 173.24 176.29 1dp0 h GLN 964 N -0.03 0.68 -0.47 4.02 1.08 -1.99 -0.65 115.11 117.75 1dp0 h GLN 964 Ca -0.46 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 1dp0 h GLN 964 Cb 1.23 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 1dp0 h GLN 964 CO 0.56 0.45 0.20 0.37 -0.95 0.00 0.00 178.83 179.45 1dp0 h GLN 965 N 0.70 0.70 -0.63 1.46 4.15 -1.99 -1.65 115.11 117.85 1dp0 h GLN 965 Ca 0.29 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1dp0 h GLN 965 Cb 0.26 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1dp0 h GLN 965 CO -0.09 0.62 0.23 0.37 -1.93 0.00 0.00 178.83 178.02 1dp0 h GLN 966 N 0.62 0.95 -0.23 1.69 4.15 -1.62 -1.10 115.11 119.58 1dp0 h GLN 966 Ca 0.16 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1dp0 h GLN 966 Cb 0.17 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1dp0 h GLN 966 CO -0.01 0.82 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.61 1dp0 h LEU 967 N 0.89 0.31 -0.45 -2.39 3.38 -0.79 -1.73 115.31 114.53 1dp0 h LEU 967 Ca 0.21 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1dp0 h LEU 967 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1dp0 h LEU 967 CO -0.01 0.40 -0.72 -0.03 0.09 0.00 0.00 178.44 178.17 1dp0 h MET 968 N 0.33 0.00 -0.01 1.13 4.05 -0.93 -3.18 114.93 116.32 1dp0 h MET 968 Ca 0.07 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1dp0 h MET 968 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1dp0 h MET 968 CO 0.01 0.72 -0.28 0.39 0.23 0.00 0.00 176.91 177.97 1dp0 n GLU 969 N -3.57 0.85 -4.57 0.39 1.02 -0.45 -4.88 120.64 109.44 1dp0 n GLU 969 Ca -0.00 -0.53 -0.33 0.00 -0.02 0.00 0.00 57.16 56.27 1dp0 n GLU 969 Cb 0.73 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.53 1dp0 n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dp0 s THR 970 N -2.51 3.58 -0.36 2.62 2.01 -0.74 -5.01 115.64 115.23 1dp0 s THR 970 Ca 0.24 -0.48 0.23 0.00 0.31 0.00 0.00 61.69 61.98 1dp0 s THR 970 Cb 0.19 -2.53 0.13 0.00 0.01 0.00 0.00 72.50 70.30 1dp0 s THR 970 CO 0.53 0.53 1.29 0.77 -0.69 0.00 0.00 174.62 177.04 1dp0 h SER 971 N 6.38 0.00 -3.72 3.53 4.64 -1.89 -3.38 113.55 119.11 1dp0 h SER 971 Ca -0.33 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 60.72 1dp0 h SER 971 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.00 1dp0 h SER 971 CO 0.58 0.01 -0.72 -1.00 -0.87 0.00 0.00 176.83 174.83 1dp0 s HIS 972 N -3.28 0.04 0.45 4.77 3.76 -1.26 -4.37 115.29 115.39 1dp0 s HIS 972 Ca 0.03 0.00 0.14 0.00 -0.15 0.00 0.00 55.06 55.09 1dp0 s HIS 972 Cb 0.08 -0.04 1.06 0.00 1.11 0.00 0.00 32.58 34.79 1dp0 s HIS 972 CO 0.74 -0.01 2.00 0.07 -0.85 0.00 0.00 174.74 176.69 1dp0 h ARG 973 N 6.24 0.35 0.00 1.40 0.11 -1.18 -1.84 114.38 119.46 1dp0 h ARG 973 Ca -0.26 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1dp0 h ARG 973 Cb 1.20 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1dp0 h ARG 973 CO 0.51 0.23 0.00 -2.39 0.10 0.00 0.00 179.97 178.42 1dp0 n HIS 974 N -4.47 0.00 1.30 4.08 1.44 -1.26 -2.12 115.22 114.19 1dp0 n HIS 974 Ca 0.08 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.92 1dp0 n HIS 974 Cb 0.33 -0.40 0.36 0.00 0.12 0.00 0.00 29.99 30.40 1dp0 n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1dp0 n LEU 975 N -1.40 1.68 -4.83 2.39 4.77 -0.69 -4.93 117.00 113.98 1dp0 n LEU 975 Ca 0.08 -0.55 -0.32 0.00 -0.03 0.00 0.00 56.01 55.19 1dp0 n LEU 975 Cb 0.22 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1dp0 n LEU 975 CO 0.19 0.29 0.69 -0.76 -1.33 0.00 0.00 177.39 176.47 1dp0 s LEU 976 N -2.18 3.61 -0.02 2.23 1.43 -0.90 -5.05 118.68 117.81 1dp0 s LEU 976 Ca 0.31 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1dp0 s LEU 976 Cb 0.20 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1dp0 s LEU 976 CO 0.40 -0.74 -0.03 -1.38 0.23 0.00 0.00 176.35 174.82 1dp0 s HIS 977 N -2.53 0.45 0.29 0.29 -3.43 -1.26 -5.10 115.29 103.99 1dp0 s HIS 977 Ca 0.61 -0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 54.49 1dp0 s HIS 977 Cb -0.12 -0.37 -0.11 0.00 -1.43 0.00 0.00 32.58 30.54 1dp0 s HIS 977 CO 0.31 -0.07 1.60 0.00 -2.00 0.00 0.00 174.74 174.58 1dp0 s ALA 978 N 0.36 3.75 0.67 -1.38 0.00 -1.26 -4.85 121.76 119.04 1dp0 s ALA 978 Ca -0.04 1.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 1dp0 s ALA 978 Cb -0.07 -3.65 0.05 0.00 0.00 0.00 0.00 23.12 19.45 1dp0 s ALA 978 CO -0.00 -0.98 0.97 -1.21 0.00 0.00 0.00 175.76 174.54 1dp0 s GLU 979 N -0.42 2.37 0.44 0.00 2.02 -0.32 -5.03 118.70 117.75 1dp0 s GLU 979 Ca 0.64 -0.25 -0.24 0.00 0.02 0.00 0.00 54.97 55.14 1dp0 s GLU 979 Cb -0.48 -2.22 -0.08 0.00 0.10 0.00 0.00 34.13 31.46 1dp0 s GLU 979 CO 0.47 -1.09 1.17 -2.00 0.02 0.00 0.00 175.26 173.83 1dp0 s GLU 980 N -5.16 3.87 1.92 1.61 2.12 -1.26 -4.76 118.70 117.04 1dp0 s GLU 980 Ca 0.59 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1dp0 s GLU 980 Cb -0.11 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.77 1dp0 s GLU 980 CO 0.44 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1dp0 n GLY 981 N 0.52 -1.00 2.97 -1.50 0.00 -1.26 -4.83 105.19 100.09 1dp0 n GLY 981 Ca 0.06 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 1dp0 n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dp0 s THR 982 N 0.00 0.85 -0.10 2.61 2.01 -0.60 -4.68 115.64 115.74 1dp0 s THR 982 Ca 0.00 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 1dp0 s THR 982 Cb 0.00 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1dp0 s THR 982 CO 0.00 0.29 0.69 0.26 -0.69 0.00 0.00 174.62 175.18 1dp0 s TRP 983 N 0.74 3.53 -0.10 4.92 0.52 0.26 -0.63 118.94 128.18 1dp0 s TRP 983 Ca -0.13 1.19 0.03 0.00 0.02 0.00 0.00 56.10 57.21 1dp0 s TRP 983 Cb -0.15 -2.81 -0.01 0.00 -1.15 0.00 0.00 33.47 29.35 1dp0 s TRP 983 CO 0.02 0.02 -0.21 -1.17 0.02 0.00 0.00 176.95 175.63 1dp0 s LEU 984 N 1.09 2.25 -0.18 2.99 2.96 -0.62 -1.57 118.68 125.59 1dp0 s LEU 984 Ca 0.36 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1dp0 s LEU 984 Cb -0.17 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1dp0 s LEU 984 CO 0.16 0.18 -0.16 0.20 -1.32 0.00 0.00 176.35 175.41 1dp0 s ASN 985 N 0.24 3.48 -0.17 3.68 0.01 -0.39 -2.11 114.94 119.69 1dp0 s ASN 985 Ca -0.14 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.45 1dp0 s ASN 985 Cb -0.17 -1.55 0.04 0.00 0.41 0.00 0.00 41.25 39.98 1dp0 s ASN 985 CO 0.07 0.01 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.95 1dp0 s ILE 986 N 1.25 1.40 -0.11 0.60 1.01 -0.26 -1.09 121.20 124.00 1dp0 s ILE 986 Ca 0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 1dp0 s ILE 986 Cb -0.14 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1dp0 s ILE 986 CO -0.08 0.23 0.01 -1.81 0.00 0.00 0.00 174.94 173.29 1dp0 s ASP 987 N 1.52 5.30 0.08 3.58 1.01 0.17 -0.53 116.67 127.79 1dp0 s ASP 987 Ca 0.01 0.12 -0.11 0.00 0.71 0.00 0.00 52.55 53.28 1dp0 s ASP 987 Cb -0.15 -1.61 -0.22 0.00 1.01 0.00 0.00 42.92 41.94 1dp0 s ASP 987 CO -0.09 0.33 1.18 1.23 0.21 0.00 0.00 175.17 178.03 1dp0 h GLY 988 N 5.56 0.63 -4.98 0.21 0.00 -1.13 -0.39 103.07 102.97 1dp0 h GLY 988 Ca -0.47 -1.22 -0.16 0.00 0.00 0.00 0.00 47.33 45.48 1dp0 h GLY 988 CO 0.58 1.07 -0.57 -1.36 0.00 0.00 0.00 176.54 176.26 1dp0 s PHE 989 N -3.12 0.07 -0.04 5.60 0.40 -0.95 -4.69 117.98 115.26 1dp0 s PHE 989 Ca -0.08 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1dp0 s PHE 989 Cb 0.07 -0.07 0.02 0.00 0.51 0.00 0.00 43.02 43.55 1dp0 s PHE 989 CO 0.91 -0.21 0.10 -1.58 0.70 0.00 0.00 175.22 175.14 1dp0 s HIS 990 N -1.08 -0.10 0.55 0.36 2.46 -1.26 -0.85 115.29 115.37 1dp0 s HIS 990 Ca -0.12 0.29 -0.18 0.00 0.47 0.00 0.00 55.06 55.52 1dp0 s HIS 990 Cb -0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.30 1dp0 s HIS 990 CO 0.01 -0.08 1.08 1.41 -2.47 0.00 0.00 174.74 174.69 1dp0 s MET 991 N 0.46 3.39 1.08 2.88 1.75 0.37 -4.76 119.30 124.48 1dp0 s MET 991 Ca -0.03 1.41 -0.12 0.00 -1.25 0.00 0.00 55.69 55.70 1dp0 s MET 991 Cb -0.05 -2.03 0.24 0.00 2.84 0.00 0.00 34.83 35.83 1dp0 s MET 991 CO -0.02 -0.78 1.06 0.20 -0.65 0.00 0.00 175.02 174.83 1dp0 s GLY 992 N -2.18 1.57 -0.00 2.11 0.00 -0.28 -4.71 107.32 103.82 1dp0 s GLY 992 Ca 0.68 -0.12 0.22 0.00 0.00 0.00 0.00 44.72 45.50 1dp0 s GLY 992 CO 0.29 0.53 0.72 0.29 0.00 0.00 0.00 173.10 174.93 1dp0 n ILE 993 N -4.60 0.05 -4.60 0.90 -5.35 -1.26 -4.95 119.36 99.55 1dp0 n ILE 993 Ca 0.05 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1dp0 n ILE 993 Cb 0.55 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 1dp0 n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dp0 n GLY 994 N 1.35 -0.69 0.00 3.28 0.00 -1.26 -4.76 105.19 103.11 1dp0 n GLY 994 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1dp0 n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 995 N 0.00 -0.17 0.41 -0.02 0.00 -1.26 -0.42 105.19 103.74 1dp0 n GLY 995 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 1dp0 n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dp0 h ASP 996 N 0.00 0.10 -5.21 1.61 3.32 -1.80 -1.39 116.42 113.06 1dp0 h ASP 996 Ca 0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1dp0 h ASP 996 Cb 0.00 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.45 1dp0 h ASP 996 CO 0.00 0.05 -0.09 1.51 -1.72 0.00 0.00 179.24 178.99 1dp0 s ASP 997 N -5.89 -0.11 -0.22 6.45 1.47 -1.26 -4.13 116.67 112.97 1dp0 s ASP 997 Ca -0.06 -0.87 0.12 0.00 1.18 0.00 0.00 52.55 52.92 1dp0 s ASP 997 Cb 0.21 0.59 0.44 0.00 -0.34 0.00 0.00 42.92 43.83 1dp0 s ASP 997 CO 0.76 -1.14 1.32 -1.20 0.68 0.00 0.00 175.17 175.59 1dp0 n SER 998 N -0.38 2.34 0.00 2.11 7.64 -1.26 -4.66 113.62 119.41 1dp0 n SER 998 Ca -0.03 -3.63 0.00 0.00 1.01 0.00 0.00 58.87 56.23 1dp0 n SER 998 Cb 0.62 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1dp0 n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1dp0 n TRP 999 N -1.11 0.00 -3.90 1.43 2.14 -1.26 -4.17 117.44 110.58 1dp0 n TRP 999 Ca 0.24 -0.05 -0.09 0.00 2.07 0.00 0.00 57.50 59.67 1dp0 n TRP 999 Cb 0.84 -0.01 -0.09 0.00 -0.81 0.00 0.00 31.31 31.25 1dp0 n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1dp0 s SER 1000N -0.11 0.14 0.28 -0.67 1.04 -1.26 -4.38 113.70 108.75 1dp0 s SER 1000Ca 0.00 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 1dp0 s SER 1000Cb 0.00 0.27 -0.12 0.00 0.10 0.00 0.00 66.02 66.27 1dp0 s SER 1000CO 0.00 -0.58 1.63 -2.65 0.98 0.00 0.00 173.24 172.62 1dp0 n PRO 1001N 0.50 2.76 0.00 4.02 -0.02 -1.26 -4.81 135.00 136.19 1dp0 n PRO 1001Ca -0.18 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1dp0 n PRO 1001Cb 0.60 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1dp0 n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dp0 n SER 1002N 2.42 0.47 -4.68 2.55 3.41 -1.26 -5.01 113.62 111.52 1dp0 n SER 1002Ca 0.09 -1.19 -0.43 0.00 -0.26 0.00 0.00 58.87 57.09 1dp0 n SER 1002Cb 0.37 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1dp0 n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dp0 s VAL 1003N -0.19 4.45 0.53 -3.33 1.01 -1.26 -4.40 120.40 117.20 1dp0 s VAL 1003Ca 0.00 1.75 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 1dp0 s VAL 1003Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1dp0 s VAL 1003CO 0.00 -0.03 1.30 -0.55 0.00 0.00 0.00 175.10 175.82 1dp0 s SER 1004N 1.41 5.49 0.40 3.32 0.15 -1.26 -4.85 113.70 118.36 1dp0 s SER 1004Ca 0.52 2.64 0.14 0.00 0.70 0.00 0.00 55.95 59.95 1dp0 s SER 1004Cb -0.22 -2.63 0.98 0.00 -1.71 0.00 0.00 66.02 62.45 1dp0 s SER 1004CO 0.18 -1.41 1.87 0.00 1.20 0.00 0.00 173.24 175.09 1dp0 h ALA 1005N 1.59 2.05 0.00 5.45 0.00 -1.96 -0.53 119.26 125.86 1dp0 h ALA 1005Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dp0 h ALA 1005Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dp0 h ALA 1005CO 0.58 -0.30 0.00 -0.85 0.00 0.00 0.00 179.25 178.68 1dp0 n GLU 1006N -4.53 0.03 -0.12 0.00 0.00 -1.26 -2.19 120.64 112.57 1dp0 n GLU 1006Ca 0.17 0.23 0.07 0.00 0.00 0.00 0.00 57.16 57.63 1dp0 n GLU 1006Cb 0.58 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.65 1dp0 n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1dp0 n PHE 1007N -1.48 0.33 -3.45 -1.84 3.01 -0.22 -4.98 117.46 108.84 1dp0 n PHE 1007Ca 0.04 -0.28 -0.35 0.00 1.01 0.00 0.00 57.45 57.87 1dp0 n PHE 1007Cb 0.17 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 1dp0 n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1dp0 s GLN 1008N -1.07 3.89 -1.21 -1.08 -0.21 -0.93 -1.12 119.66 117.92 1dp0 s GLN 1008Ca 0.23 0.36 -0.15 0.00 0.02 0.00 0.00 55.36 55.82 1dp0 s GLN 1008Cb 0.14 -2.98 0.14 0.00 1.00 0.00 0.00 33.01 31.30 1dp0 s GLN 1008CO 0.19 0.53 1.50 -0.51 -2.12 0.00 0.00 175.29 174.87 1dp0 s LEU 1009N -1.87 4.72 -0.06 2.90 1.43 -1.26 -4.69 118.68 119.85 1dp0 s LEU 1009Ca 0.35 -2.79 0.13 0.00 -1.03 0.00 0.00 54.13 50.79 1dp0 s LEU 1009Cb -0.15 -2.45 0.39 0.00 0.03 0.00 0.00 46.19 44.02 1dp0 s LEU 1009CO 0.18 -0.88 1.32 -1.54 0.23 0.00 0.00 176.35 175.67 1dp0 n SER 1010N 6.43 3.30 0.24 2.29 3.41 -1.26 -4.37 113.62 123.66 1dp0 n SER 1010Ca 0.39 -2.36 0.17 0.00 -0.26 0.00 0.00 58.87 56.81 1dp0 n SER 1010Cb 0.44 -0.35 0.78 0.00 -0.26 0.00 0.00 64.21 64.82 1dp0 n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 h ALA 1011N 2.01 1.00 0.00 7.33 0.00 -1.98 -3.47 119.26 124.15 1dp0 h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dp0 h ALA 1011Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dp0 h ALA 1011CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1dp0 n GLY 1012N -0.49 2.16 3.15 0.00 0.00 -1.26 -4.89 105.19 103.86 1dp0 n GLY 1012Ca -0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1dp0 n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dp0 s ARG 1013N 0.00 1.84 0.01 1.61 0.52 -1.26 -0.33 118.95 121.34 1dp0 s ARG 1013Ca 0.00 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1dp0 s ARG 1013Cb 0.00 -1.60 -0.01 0.00 0.52 0.00 0.00 34.95 33.86 1dp0 s ARG 1013CO 0.00 0.26 -0.06 0.71 0.02 0.00 0.00 175.30 176.24 1dp0 s TYR 1014N -0.00 0.52 -0.03 -0.53 1.51 -0.04 -4.98 117.35 113.79 1dp0 s TYR 1014Ca -0.03 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1dp0 s TYR 1014Cb -0.11 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.41 1dp0 s TYR 1014CO 0.02 -0.02 -0.10 -1.58 -1.11 0.00 0.00 175.55 172.76 1dp0 s HIS 1015N -0.41 1.06 0.10 2.71 5.65 -1.26 -0.72 115.29 122.42 1dp0 s HIS 1015Ca -0.01 -0.27 -0.10 0.00 0.25 0.00 0.00 55.06 54.93 1dp0 s HIS 1015Cb -0.04 -0.74 0.01 0.00 -1.18 0.00 0.00 32.58 30.62 1dp0 s HIS 1015CO -0.00 -0.11 0.25 1.52 -0.65 0.00 0.00 174.74 175.75 1dp0 s TYR 1016N 0.17 0.09 -0.07 3.88 -0.85 -0.35 -5.02 117.35 115.20 1dp0 s TYR 1016Ca -0.03 -0.49 -0.13 0.00 -0.52 0.00 0.00 57.07 55.90 1dp0 s TYR 1016Cb -0.09 0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.29 1dp0 s TYR 1016CO 0.01 -0.60 0.31 -1.14 -1.52 0.00 0.00 175.55 172.61 1dp0 s GLN 1017N -3.86 0.50 0.04 -3.49 0.74 -1.26 -0.49 119.66 111.84 1dp0 s GLN 1017Ca 0.06 0.15 -0.00 0.00 0.05 0.00 0.00 55.36 55.61 1dp0 s GLN 1017Cb 0.04 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.35 1dp0 s GLN 1017CO -0.10 -0.10 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.99 1dp0 s LEU 1018N -0.51 2.39 -0.10 3.68 1.43 -0.57 -4.27 118.68 120.73 1dp0 s LEU 1018Ca -0.06 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1dp0 s LEU 1018Cb -0.04 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.32 1dp0 s LEU 1018CO 0.02 -0.47 -0.23 -0.69 0.23 0.00 0.00 176.35 175.22 1dp0 s VAL 1019N -2.91 1.96 -0.21 -1.59 1.01 -0.20 0.22 120.40 118.68 1dp0 s VAL 1019Ca -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1dp0 s VAL 1019Cb 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1dp0 s VAL 1019CO -0.06 0.54 -0.03 0.86 0.00 0.00 0.00 175.10 176.41 1dp0 s TRP 1020N 0.41 2.98 0.30 5.22 -0.11 -0.22 -0.83 118.94 126.69 1dp0 s TRP 1020Ca -0.18 -0.77 0.07 0.00 1.22 0.00 0.00 56.10 56.44 1dp0 s TRP 1020Cb -0.18 -2.10 -0.03 0.00 -1.50 0.00 0.00 33.47 29.67 1dp0 s TRP 1020CO 0.08 -0.45 0.26 0.00 -4.62 0.00 0.00 176.95 172.22 1dp0 n GLN 1022N -0.58 1.24 0.00 0.00 7.27 -1.26 -1.25 117.38 122.79 1dp0 n GLN 1022Ca 0.07 -1.18 0.00 0.00 0.07 0.00 0.00 57.00 55.96 1dp0 n GLN 1022Cb 0.55 0.14 0.00 0.00 2.41 0.00 0.00 30.24 33.34 1dp0 n GLN 1022CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49