#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 -1.07 0.28 5.56 1.74 -1.26 -4.77 116.66 117.14 1dp0 n ARG 14 Ca 0.00 0.16 0.19 0.00 -0.77 0.00 0.00 57.85 57.43 1dp0 n ARG 14 Cb 0.00 -3.39 0.96 0.00 -1.02 0.00 0.00 32.46 29.00 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 -2.12 0.00 -0.17 0.55 3.32 -1.95 -1.34 116.42 114.72 1dp0 h ASP 15 Ca -0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1dp0 h ASP 15 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1dp0 h ASP 15 CO 0.61 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.46 1dp0 n TRP 16 N -2.88 0.27 -2.57 4.55 2.14 -1.26 -3.49 117.44 114.20 1dp0 n TRP 16 Ca -0.02 -0.13 -0.15 0.00 2.07 0.00 0.00 57.50 59.28 1dp0 n TRP 16 Cb 0.12 -0.03 0.02 0.00 -0.81 0.00 0.00 31.31 30.61 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 0.03 2.15 -3.15 -2.67 1.02 -0.50 -0.74 120.64 116.78 1dp0 n GLU 17 Ca 0.06 -3.76 0.04 0.00 -0.02 0.00 0.00 57.16 53.48 1dp0 n GLU 17 Cb 0.19 -1.69 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 -3.38 -1.46 0.00 1.62 2.47 -1.23 -4.77 114.94 108.20 1dp0 s ASN 18 Ca 0.36 0.34 0.11 0.00 0.42 0.00 0.00 52.86 54.08 1dp0 s ASN 18 Cb 0.42 1.99 0.50 0.00 -1.45 0.00 0.00 41.25 42.71 1dp0 s ASN 18 CO -0.04 -0.27 1.33 -0.81 -3.72 0.00 0.00 177.10 173.58 1dp0 n PRO 19 N 5.40 0.05 0.00 0.43 -0.04 -1.26 -1.19 135.00 138.38 1dp0 n PRO 19 Ca 0.04 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1dp0 n PRO 19 Cb 0.54 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.35 -1.31 2.91 0.55 0.00 -1.26 -4.34 105.19 101.39 1dp0 n GLY 20 Ca 0.03 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.89 1.66 -1.79 1.61 1.01 -0.34 -4.91 120.40 114.75 1dp0 s VAL 21 Ca 0.16 -1.80 0.16 0.00 0.00 0.00 0.00 61.98 60.50 1dp0 s VAL 21 Cb 0.19 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.48 1dp0 s VAL 21 CO 0.58 -0.52 0.94 0.35 0.00 0.00 0.00 175.10 176.45 1dp0 n THR 22 N 4.54 0.00 -3.60 3.92 -2.24 -1.26 -4.81 114.28 110.82 1dp0 n THR 22 Ca -0.01 -0.45 -0.03 0.00 -2.27 0.00 0.00 64.05 61.29 1dp0 n THR 22 Cb 0.42 1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 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 -1.50 0.35 -0.10 -0.78 1.03 -1.26 -1.76 119.66 115.65 1dp0 s GLN 23 Ca 0.17 -0.15 -0.05 0.00 0.04 0.00 0.00 55.36 55.37 1dp0 s GLN 23 Cb 0.13 0.15 0.05 0.00 0.03 0.00 0.00 33.01 33.36 1dp0 s GLN 23 CO 0.26 -0.16 0.22 -0.51 -2.54 0.00 0.00 175.29 172.56 1dp0 s LEU 24 N -2.42 0.42 -0.86 2.60 1.43 -0.48 -4.87 118.68 114.51 1dp0 s LEU 24 Ca 0.11 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1dp0 s LEU 24 Cb 0.01 0.62 0.00 0.00 0.03 0.00 0.00 46.19 46.85 1dp0 s LEU 24 CO -0.04 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 176.96 1dp0 n ASN 25 N 4.34 -5.20 -4.75 2.29 3.02 -1.26 -1.60 115.26 112.10 1dp0 n ASN 25 Ca -0.24 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.11 1dp0 n ASN 25 Cb 0.52 -3.41 -0.06 0.00 -0.61 0.00 0.00 39.78 36.22 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 -2.47 4.82 0.66 3.52 3.52 -1.26 -4.65 118.95 123.08 1dp0 s ARG 26 Ca 0.00 1.55 -0.11 0.00 -0.13 0.00 0.00 55.73 57.04 1dp0 s ARG 26 Cb 0.00 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1dp0 s ARG 26 CO 0.00 0.46 1.05 -0.51 -0.81 0.00 0.00 175.30 175.49 1dp0 s LEU 27 N -1.24 3.14 0.66 -0.88 1.43 -0.24 -5.00 118.68 116.55 1dp0 s LEU 27 Ca 0.42 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 54.79 1dp0 s LEU 27 Cb -0.27 -4.40 -0.01 0.00 0.03 0.00 0.00 46.19 41.54 1dp0 s LEU 27 CO 0.34 -1.14 1.28 0.00 0.23 0.00 0.00 176.35 177.06 1dp0 n ALA 28 N -2.92 1.05 -1.78 4.21 0.00 -1.26 -4.68 120.51 115.14 1dp0 n ALA 28 Ca 0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 1dp0 n ALA 28 Cb 0.54 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.44 2.94 0.13 0.00 0.00 -1.26 -4.99 121.76 117.16 1dp0 s ALA 29 Ca 0.82 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 1dp0 s ALA 29 Cb -0.38 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 19.66 1dp0 s ALA 29 CO 0.41 -0.50 1.00 -3.38 0.00 0.00 0.00 175.76 173.29 1dp0 s HIS 30 N -2.62 -0.12 0.90 0.00 -3.43 -1.26 -4.88 115.29 103.88 1dp0 s HIS 30 Ca 0.60 -0.17 -0.12 0.00 -0.80 0.00 0.00 55.06 54.58 1dp0 s HIS 30 Cb -0.12 0.63 0.13 0.00 -1.43 0.00 0.00 32.58 31.79 1dp0 s HIS 30 CO 0.36 -0.76 1.10 -2.14 -2.00 0.00 0.00 174.74 171.30 1dp0 s PRO 31 N -3.18 1.26 0.02 -0.38 0.02 -1.15 -4.31 135.00 127.28 1dp0 s PRO 31 Ca 0.13 0.59 -0.36 0.00 0.02 0.00 0.00 61.00 61.38 1dp0 s PRO 31 Cb -0.01 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.54 1dp0 s PRO 31 CO 0.02 -2.18 1.57 -2.30 -0.33 0.00 0.00 177.00 173.78 1dp0 n PRO 32 N -3.81 1.65 -4.45 5.54 -0.02 -1.26 -4.97 135.00 127.69 1dp0 n PRO 32 Ca 0.06 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1dp0 n PRO 32 Cb 0.57 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.72 2.23 0.00 6.00 2.99 -1.26 -4.79 117.98 124.87 1dp0 s PHE 33 Ca 0.86 -0.36 0.00 0.00 0.00 0.00 0.00 56.93 57.43 1dp0 s PHE 33 Cb -0.84 -1.00 0.00 0.00 0.00 0.00 0.00 43.02 41.18 1dp0 s PHE 33 CO 0.48 0.64 0.00 0.00 -0.00 0.00 0.00 175.22 176.33 1dp0 n ALA 34 N -0.39 0.00 -4.09 5.36 0.00 -1.26 -5.05 120.51 115.08 1dp0 n ALA 34 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1dp0 n ALA 34 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.55 -4.75 0.00 2.88 -1.26 -4.31 113.62 104.62 1dp0 n SER 35 Ca 0.00 -1.19 -0.35 0.00 -1.33 0.00 0.00 58.87 56.00 1dp0 n SER 35 Cb 0.10 -2.18 0.04 0.00 -0.75 0.00 0.00 64.21 61.42 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 -3.93 2.42 -0.15 0.66 0.51 -0.82 -4.57 118.94 113.05 1dp0 s TRP 36 Ca 0.20 1.54 0.17 0.00 -2.12 0.00 0.00 56.10 55.90 1dp0 s TRP 36 Cb -0.10 -3.38 0.35 0.00 -0.81 0.00 0.00 33.47 29.53 1dp0 s TRP 36 CO 0.95 -2.06 1.21 0.54 -0.51 0.00 0.00 176.95 177.08 1dp0 n ARG 37 N -1.93 1.56 -3.69 4.98 5.12 -1.26 -0.64 116.66 120.81 1dp0 n ARG 37 Ca 0.13 -2.75 -0.13 0.00 -1.93 0.00 0.00 57.85 53.17 1dp0 n ARG 37 Cb 0.50 -1.58 -0.13 0.00 -1.16 0.00 0.00 32.46 30.10 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 -2.80 0.07 0.30 0.55 3.84 -1.26 -4.98 114.94 110.66 1dp0 s ASN 38 Ca 0.35 0.61 0.05 0.00 0.21 0.00 0.00 52.86 54.08 1dp0 s ASN 38 Cb 0.31 0.64 0.47 0.00 -0.55 0.00 0.00 41.25 42.11 1dp0 s ASN 38 CO 0.02 -0.21 1.73 0.28 -2.79 0.00 0.00 177.10 176.13 1dp0 h SER 39 N 7.86 0.34 0.26 -4.21 0.02 -1.97 -2.65 113.55 113.21 1dp0 h SER 39 Ca -0.24 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.46 1dp0 h SER 39 Cb 1.13 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1dp0 h SER 39 CO 0.22 0.66 -0.49 -0.08 -1.14 0.00 0.00 176.83 176.00 1dp0 h GLU 40 N 0.29 0.27 -0.18 3.45 4.57 -1.99 -0.61 114.58 120.39 1dp0 h GLU 40 Ca 0.04 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 1dp0 h GLU 40 Cb 0.72 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1dp0 h GLU 40 CO 0.05 0.70 -0.29 0.93 -1.18 0.00 0.00 179.01 179.23 1dp0 h GLU 41 N 0.22 0.34 -0.56 1.92 4.39 -1.89 -1.11 114.58 117.88 1dp0 h GLU 41 Ca 0.01 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1dp0 h GLU 41 Cb 0.94 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1dp0 h GLU 41 CO 0.08 0.60 -0.06 0.00 -1.16 0.00 0.00 179.01 178.47 1dp0 h ALA 42 N 1.40 0.83 -0.73 3.43 0.00 -1.12 -1.53 119.26 121.54 1dp0 h ALA 42 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1dp0 h ALA 42 Cb 0.66 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1dp0 h ALA 42 CO 0.05 0.67 0.42 -0.09 0.00 0.00 0.00 179.25 180.29 1dp0 h ARG 43 N 0.92 1.00 -0.01 0.00 2.43 -0.61 -2.82 114.38 115.29 1dp0 h ARG 43 Ca 0.15 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1dp0 h ARG 43 Cb 0.61 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1dp0 h ARG 43 CO 0.04 0.73 -0.04 0.25 -1.51 0.00 0.00 179.97 179.44 1dp0 n THR 44 N -4.50 0.00 -2.51 0.20 -2.24 -0.47 -4.94 114.28 99.84 1dp0 n THR 44 Ca 0.06 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 1dp0 n THR 44 Cb 0.08 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.25 -5.34 -4.88 3.42 2.03 -0.64 -4.97 116.55 105.92 1dp0 n ASP 45 Ca 0.19 -0.08 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 1dp0 n ASP 45 Cb 0.30 -4.34 0.02 0.00 -0.72 0.00 0.00 41.12 36.37 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 -5.08 3.40 0.38 -0.67 0.52 -0.85 -4.99 118.95 111.65 1dp0 s ARG 46 Ca 0.07 0.51 -0.28 0.00 -0.52 0.00 0.00 55.73 55.51 1dp0 s ARG 46 Cb -0.03 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.17 1dp0 s ARG 46 CO 0.09 -0.58 1.44 -2.30 0.02 0.00 0.00 175.30 173.98 1dp0 n PRO 47 N -2.67 2.54 -4.52 3.54 -0.02 -1.26 -4.87 135.00 127.74 1dp0 n PRO 47 Ca 0.05 0.89 -0.34 0.00 -2.02 0.00 0.00 63.50 62.08 1dp0 n PRO 47 Cb 0.55 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 1dp0 n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dp0 s SER 48 N -0.19 4.80 0.32 2.55 0.15 -1.26 -4.96 113.70 115.10 1dp0 s SER 48 Ca 0.54 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 57.42 1dp0 s SER 48 Cb -0.49 -1.40 1.10 0.00 -1.71 0.00 0.00 66.02 63.51 1dp0 s SER 48 CO 0.63 0.31 1.76 1.56 1.20 0.00 0.00 173.24 178.70 1dp0 h GLN 49 N 5.64 0.00 -0.54 5.44 1.08 -1.91 -2.03 115.11 122.79 1dp0 h GLN 49 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1dp0 h GLN 49 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1dp0 h GLN 49 CO 0.56 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 179.48 1dp0 n GLN 50 N -2.38 2.26 -3.89 1.46 3.00 -1.26 -4.71 117.38 111.86 1dp0 n GLN 50 Ca 0.01 -1.95 -0.30 0.00 -0.01 0.00 0.00 57.00 54.75 1dp0 n GLN 50 Cb 0.21 -1.42 -0.15 0.00 0.00 0.00 0.00 30.24 28.87 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 -1.01 2.63 0.03 1.08 2.96 -0.76 -1.40 118.68 122.21 1dp0 s LEU 51 Ca 0.36 -1.34 0.02 0.00 -0.22 0.00 0.00 54.13 52.95 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 0.25 -0.29 0.02 -0.13 -1.32 0.00 0.00 176.35 174.88 1dp0 s ARG 52 N 1.42 2.79 -0.02 1.98 0.52 0.72 -4.69 118.95 121.69 1dp0 s ARG 52 Ca -0.01 -0.65 -0.19 0.00 -0.52 0.00 0.00 55.73 54.36 1dp0 s ARG 52 Cb -0.18 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 1dp0 s ARG 52 CO -0.10 0.60 0.54 0.45 0.02 0.00 0.00 175.30 176.82 1dp0 s SER 53 N -1.86 6.91 -0.14 0.23 0.15 -1.26 -0.59 113.70 117.13 1dp0 s SER 53 Ca 0.23 1.08 0.17 0.00 0.70 0.00 0.00 55.95 58.12 1dp0 s SER 53 Cb -0.12 -2.33 0.69 0.00 -1.71 0.00 0.00 66.02 62.55 1dp0 s SER 53 CO 0.14 0.14 1.60 0.18 1.20 0.00 0.00 173.24 176.50 1dp0 n LEU 54 N 2.65 4.73 -4.77 3.45 4.77 0.89 -4.91 117.00 123.82 1dp0 n LEU 54 Ca -0.08 -2.62 -0.34 0.00 -0.03 0.00 0.00 56.01 52.94 1dp0 n LEU 54 Cb 0.51 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1dp0 n LEU 54 CO 0.42 0.74 0.76 0.20 -1.33 0.00 0.00 177.39 178.19 1dp0 s ASN 55 N -1.05 5.20 0.00 -1.43 0.01 -1.24 -4.84 114.94 111.59 1dp0 s ASN 55 Ca 0.49 2.11 0.00 0.00 -0.71 0.00 0.00 52.86 54.74 1dp0 s ASN 55 Cb 0.34 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.43 1dp0 s ASN 55 CO 0.20 -1.57 0.00 0.61 -1.51 0.00 0.00 177.10 174.83 1dp0 n GLY 56 N -0.18 0.54 3.66 0.66 0.00 -0.41 -5.01 105.19 104.44 1dp0 n GLY 56 Ca 0.11 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.73 4.26 0.48 1.61 2.02 -1.26 -1.38 118.70 122.70 1dp0 s GLU 57 Ca 0.00 0.87 0.04 0.00 0.02 0.00 0.00 54.97 55.90 1dp0 s GLU 57 Cb 0.00 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 1dp0 s GLU 57 CO 0.00 -0.31 0.09 -1.58 0.02 0.00 0.00 175.26 173.47 1dp0 s TRP 58 N 2.13 2.07 0.02 1.61 0.52 -0.32 -4.94 118.94 120.03 1dp0 s TRP 58 Ca 0.35 -0.83 0.00 0.00 0.02 0.00 0.00 56.10 55.64 1dp0 s TRP 58 Cb -0.16 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 1dp0 s TRP 58 CO 0.11 0.16 0.10 1.03 0.02 0.00 0.00 176.95 178.38 1dp0 s ARG 59 N -3.91 3.09 -0.07 4.98 1.81 -0.19 -1.16 118.95 123.51 1dp0 s ARG 59 Ca 0.21 -0.51 -0.11 0.00 -1.72 0.00 0.00 55.73 53.60 1dp0 s ARG 59 Cb 0.03 -2.87 0.02 0.00 -0.45 0.00 0.00 34.95 31.69 1dp0 s ARG 59 CO 0.12 0.63 0.28 0.12 -0.68 0.00 0.00 175.30 175.77 1dp0 s PHE 60 N -1.27 -0.24 -0.01 -0.53 5.36 0.64 -1.23 117.98 120.69 1dp0 s PHE 60 Ca 0.26 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.73 1dp0 s PHE 60 Cb -0.12 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 1dp0 s PHE 60 CO 0.17 -0.25 0.04 0.00 -1.46 0.00 0.00 175.22 173.73 1dp0 s ALA 61 N -0.49 -0.10 -0.09 11.12 0.00 -0.58 -0.99 121.76 130.64 1dp0 s ALA 61 Ca -0.06 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 1dp0 s ALA 61 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1dp0 s ALA 61 CO 0.02 -0.04 0.17 -0.46 0.00 0.00 0.00 175.76 175.45 1dp0 s TRP 62 N -0.17 3.60 0.11 0.00 -0.00 -1.26 -0.26 118.94 120.96 1dp0 s TRP 62 Ca -0.02 0.54 0.05 0.00 -0.00 0.00 0.00 56.10 56.67 1dp0 s TRP 62 Cb -0.02 -1.95 -0.04 0.00 -0.00 0.00 0.00 33.47 31.47 1dp0 s TRP 62 CO 0.00 0.72 -0.13 -0.06 -0.00 0.00 0.00 176.95 177.48 1dp0 s PHE 63 N -1.08 1.28 -0.84 5.86 0.40 0.22 -4.98 117.98 118.84 1dp0 s PHE 63 Ca 0.18 -0.59 0.27 0.00 -0.60 0.00 0.00 56.93 56.19 1dp0 s PHE 63 Cb -0.12 -0.68 0.98 0.00 0.51 0.00 0.00 43.02 43.71 1dp0 s PHE 63 CO 0.07 0.10 1.82 -0.35 0.70 0.00 0.00 175.22 177.56 1dp0 n PRO 64 N 0.55 0.14 -3.56 0.24 -0.04 -1.26 -0.49 135.00 130.58 1dp0 n PRO 64 Ca -0.16 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 1dp0 n PRO 64 Cb 0.57 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 -3.07 -1.91 0.52 0.55 0.00 -1.21 -0.82 121.76 115.82 1dp0 s ALA 65 Ca 0.11 1.48 0.21 0.00 0.00 0.00 0.00 51.96 53.77 1dp0 s ALA 65 Cb 0.15 -0.48 1.41 0.00 0.00 0.00 0.00 23.12 24.19 1dp0 s ALA 65 CO 0.54 -0.38 2.15 -1.00 0.00 0.00 0.00 175.76 177.07 1dp0 h PRO 66 N 2.49 0.00 0.00 0.00 0.13 -1.87 -1.50 132.00 131.24 1dp0 h PRO 66 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1dp0 h PRO 66 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dp0 h PRO 66 CO 0.31 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.52 1dp0 n GLU 67 N -4.21 0.14 0.00 0.86 4.71 -1.26 -1.87 120.64 119.01 1dp0 n GLU 67 Ca -0.03 0.49 0.13 0.00 -0.01 0.00 0.00 57.16 57.74 1dp0 n GLU 67 Cb 0.13 -1.83 0.36 0.00 -1.01 0.00 0.00 31.44 29.09 1dp0 n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dp0 n ALA 68 N -1.72 2.66 -2.54 0.62 0.00 -0.56 -4.89 120.51 114.06 1dp0 n ALA 68 Ca 0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1dp0 n ALA 68 Cb 0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.08 4.45 0.28 0.00 1.01 -0.78 -5.00 120.40 118.28 1dp0 s VAL 69 Ca 0.33 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 1dp0 s VAL 69 Cb 0.20 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 1dp0 s VAL 69 CO 0.36 -0.00 1.32 -2.84 0.00 0.00 0.00 175.10 173.94 1dp0 s PRO 70 N 2.15 4.36 0.54 2.72 0.02 -1.26 -4.90 135.00 138.63 1dp0 s PRO 70 Ca 0.53 2.17 0.21 0.00 0.02 0.00 0.00 61.00 63.92 1dp0 s PRO 70 Cb -0.22 -3.12 1.41 0.00 0.02 0.00 0.00 34.50 32.60 1dp0 s PRO 70 CO 0.20 -0.22 2.15 0.93 -0.33 0.00 0.00 177.00 179.73 1dp0 h GLU 71 N 4.22 0.00 -0.78 5.54 3.07 -1.98 -1.69 114.58 122.95 1dp0 h GLU 71 Ca -0.47 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 58.55 1dp0 h GLU 71 Cb 1.22 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 1dp0 h GLU 71 CO 0.71 0.00 0.53 0.66 -1.40 0.00 0.00 179.01 179.50 1dp0 h SER 72 N 0.00 0.37 -0.34 1.42 4.64 -1.93 -1.70 113.55 116.01 1dp0 h SER 72 Ca 0.04 0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1dp0 h SER 72 Cb 0.15 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1dp0 h SER 72 CO -0.00 0.18 0.32 -0.25 -0.87 0.00 0.00 176.83 176.21 1dp0 h TRP 73 N 0.38 0.00 -0.17 4.77 7.01 -1.43 0.13 115.95 126.64 1dp0 h TRP 73 Ca 0.39 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.30 1dp0 h TRP 73 Cb 0.96 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1dp0 h TRP 73 CO -0.00 0.00 -0.30 -0.07 -2.79 0.00 0.00 178.44 175.28 1dp0 h LEU 74 N 0.00 0.34 0.01 0.65 3.38 -1.50 -3.26 115.31 114.93 1dp0 h LEU 74 Ca 0.16 -0.12 -0.37 0.00 0.09 0.00 0.00 57.88 57.64 1dp0 h LEU 74 Cb 0.79 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 1dp0 h LEU 74 CO -0.00 0.63 -2.33 -0.62 0.09 0.00 0.00 178.44 176.22 1dp0 n GLU 75 N -4.11 0.68 -3.65 1.13 -0.58 -0.73 -3.37 120.64 110.02 1dp0 n GLU 75 Ca -0.01 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 1dp0 n GLU 75 Cb 0.41 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 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 -0.15 2.01 -4.72 0.00 2.03 -1.26 -3.99 116.55 110.46 1dp0 n ASP 77 Ca -0.16 1.14 -0.40 0.00 0.52 0.00 0.00 54.79 55.89 1dp0 n ASP 77 Cb 0.63 -1.32 -0.04 0.00 -0.72 0.00 0.00 41.12 39.67 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 0.39 4.38 0.40 -2.67 1.43 -1.26 -4.90 118.68 116.45 1dp0 s LEU 78 Ca 0.70 1.41 0.08 0.00 -1.03 0.00 0.00 54.13 55.30 1dp0 s LEU 78 Cb -0.75 -3.27 0.86 0.00 0.03 0.00 0.00 46.19 43.06 1dp0 s LEU 78 CO 0.51 -0.11 2.03 -0.65 0.23 0.00 0.00 176.35 178.36 1dp0 h PRO 79 N 6.39 0.56 0.00 1.29 0.11 -2.03 0.16 132.00 138.48 1dp0 h PRO 79 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1dp0 h PRO 79 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dp0 h PRO 79 CO 0.74 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 179.29 1dp0 n GLU 80 N -4.47 0.09 -0.93 1.05 4.71 -1.26 -4.84 120.64 114.99 1dp0 n GLU 80 Ca 0.06 0.24 -0.31 0.00 -0.01 0.00 0.00 57.16 57.14 1dp0 n GLU 80 Cb 0.14 -1.64 0.15 0.00 -1.01 0.00 0.00 31.44 29.08 1dp0 n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dp0 s ALA 81 N -3.10 1.56 0.35 0.62 0.00 0.56 -4.95 121.76 116.80 1dp0 s ALA 81 Ca 0.08 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.46 1dp0 s ALA 81 Cb 0.12 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1dp0 s ALA 81 CO 0.40 -2.49 0.24 -0.51 0.00 0.00 0.00 175.76 173.41 1dp0 s ASP 82 N -2.99 4.99 -0.27 0.00 1.01 -0.17 -4.87 116.67 114.39 1dp0 s ASP 82 Ca 0.65 -0.65 -0.11 0.00 0.71 0.00 0.00 52.55 53.14 1dp0 s ASP 82 Cb -0.21 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 42.86 1dp0 s ASP 82 CO 0.58 -0.38 0.19 -0.89 0.21 0.00 0.00 175.17 174.88 1dp0 s THR 83 N -2.38 5.32 0.14 -1.27 2.01 -1.26 -0.26 115.64 117.93 1dp0 s THR 83 Ca 0.41 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1dp0 s THR 83 Cb -0.04 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1dp0 s THR 83 CO 0.25 0.28 0.00 0.68 -0.69 0.00 0.00 174.62 175.14 1dp0 s VAL 84 N 1.54 0.47 0.16 3.82 -7.23 -0.31 -4.96 120.40 113.90 1dp0 s VAL 84 Ca 0.08 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 1dp0 s VAL 84 Cb -0.15 -1.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 1dp0 s VAL 84 CO 0.09 -0.59 0.69 -0.69 -0.31 0.00 0.00 175.10 174.28 1dp0 s VAL 85 N -3.79 4.57 -0.05 1.32 1.01 -1.26 -1.17 120.40 121.03 1dp0 s VAL 85 Ca 0.20 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.58 1dp0 s VAL 85 Cb 0.07 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1dp0 s VAL 85 CO 0.00 0.40 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1dp0 s VAL 86 N -1.29 1.22 0.54 2.92 1.01 -0.48 -4.04 120.40 120.28 1dp0 s VAL 86 Ca 0.37 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 1dp0 s VAL 86 Cb -0.19 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 1dp0 s VAL 86 CO 0.22 0.37 1.08 -2.16 0.00 0.00 0.00 175.10 174.61 1dp0 s PRO 87 N 0.31 3.46 0.11 2.72 0.04 -1.26 -1.29 135.00 139.09 1dp0 s PRO 87 Ca -0.08 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1dp0 s PRO 87 Cb -0.13 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1dp0 s PRO 87 CO 0.03 -0.73 0.87 -1.54 0.04 0.00 0.00 177.00 175.67 1dp0 s SER 88 N -2.05 -0.29 -0.18 6.66 1.04 -0.39 -4.94 113.70 113.54 1dp0 s SER 88 Ca 0.69 -0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.83 1dp0 s SER 88 Cb -0.20 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1dp0 s SER 88 CO 0.27 -0.86 -0.01 0.20 0.98 0.00 0.00 173.24 173.82 1dp0 s ASN 89 N -2.76 4.93 0.61 7.02 -0.87 -1.26 -3.20 114.94 119.41 1dp0 s ASN 89 Ca 0.08 -0.13 0.39 0.00 -1.57 0.00 0.00 52.86 51.64 1dp0 s ASN 89 Cb -0.02 -1.83 1.89 0.00 -0.02 0.00 0.00 41.25 41.27 1dp0 s ASN 89 CO -0.03 0.13 2.18 4.11 -2.57 0.00 0.00 177.10 180.91 1dp0 h TRP 90 N 7.02 0.00 -0.01 2.20 0.09 -1.78 0.44 115.95 123.92 1dp0 h TRP 90 Ca -0.34 0.00 -0.06 0.00 0.09 0.00 0.00 58.89 58.58 1dp0 h TRP 90 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.41 1dp0 h TRP 90 CO 0.56 0.00 -0.30 1.96 0.09 0.00 0.00 178.44 180.75 1dp0 h GLN 91 N 0.00 0.01 0.00 0.12 7.50 -1.80 -2.37 115.11 118.57 1dp0 h GLN 91 Ca -0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1dp0 h GLN 91 Cb 0.26 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 1dp0 h GLN 91 CO 0.00 0.32 0.00 -1.33 -1.50 0.00 0.00 178.83 176.32 1dp0 n MET 92 N -4.17 0.08 0.00 1.46 2.81 0.15 -2.10 117.12 115.34 1dp0 n MET 92 Ca -0.02 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.16 1dp0 n MET 92 Cb 0.35 -1.61 0.14 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.76 0.00 -0.60 2.03 8.25 -0.93 -4.98 115.22 117.24 1dp0 n HIS 93 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1dp0 n HIS 93 Cb 0.30 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 1.36 0.70 0.21 -1.41 0.00 -0.89 -4.97 105.19 100.19 1dp0 n GLY 94 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.29 -3.31 1.61 -1.99 -1.68 -3.46 116.97 108.43 1dp0 h TYR 95 Ca 0.00 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1dp0 h TYR 95 Cb 0.00 -0.07 -0.07 0.00 2.00 0.00 0.00 36.73 38.59 1dp0 h TYR 95 CO 0.00 0.55 0.07 0.16 -0.00 0.00 0.00 178.16 178.93 1dp0 s ASP 96 N -6.87 -0.18 0.08 3.88 1.47 -1.26 -5.04 116.67 108.75 1dp0 s ASP 96 Ca -0.05 -0.76 -0.15 0.00 1.18 0.00 0.00 52.55 52.77 1dp0 s ASP 96 Cb 0.14 0.66 -0.06 0.00 -0.34 0.00 0.00 42.92 43.32 1dp0 s ASP 96 CO 0.76 -1.25 0.49 0.00 0.68 0.00 0.00 175.17 175.85 1dp0 s ALA 97 N -3.96 3.64 0.52 2.11 0.00 -1.26 -4.37 121.76 118.42 1dp0 s ALA 97 Ca 0.16 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1dp0 s ALA 97 Cb -0.03 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.53 1dp0 s ALA 97 CO 0.08 0.46 1.04 -1.25 0.00 0.00 0.00 175.76 176.09 1dp0 s PRO 98 N -1.47 3.68 -0.08 0.00 0.04 -1.26 -4.99 135.00 130.93 1dp0 s PRO 98 Ca 0.31 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1dp0 s PRO 98 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1dp0 s PRO 98 CO 0.17 -0.52 -0.19 0.42 0.04 0.00 0.00 177.00 176.92 1dp0 s ILE 99 N -2.15 2.55 -0.42 0.56 1.01 -0.75 -4.68 121.20 117.31 1dp0 s ILE 99 Ca 0.66 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1dp0 s ILE 99 Cb -0.16 -1.99 0.10 0.00 0.01 0.00 0.00 42.46 40.42 1dp0 s ILE 99 CO 0.25 0.56 0.24 -0.47 0.00 0.00 0.00 174.94 175.53 1dp0 s TYR 100 N -0.13 3.45 0.01 3.97 5.04 -1.26 0.10 117.35 128.53 1dp0 s TYR 100 Ca -0.03 -1.98 0.06 0.00 -2.44 0.00 0.00 57.07 52.68 1dp0 s TYR 100 Cb -0.14 -3.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.01 1dp0 s TYR 100 CO 0.04 -0.93 -0.19 -0.08 -1.34 0.00 0.00 175.55 173.04 1dp0 s THR 101 N 1.29 1.52 0.00 4.34 -1.32 -1.26 -0.87 115.64 119.34 1dp0 s THR 101 Ca 0.05 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1dp0 s THR 101 Cb -0.24 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 1dp0 s THR 101 CO -0.01 0.33 0.00 -3.20 -2.21 0.00 0.00 174.62 169.53 1dp0 n ASN 102 N 2.35 0.00 -0.13 8.08 2.85 -1.26 -4.05 115.26 123.09 1dp0 n ASN 102 Ca -0.16 0.18 -0.28 0.00 -0.11 0.00 0.00 54.58 54.21 1dp0 n ASN 102 Cb 0.53 -0.34 -0.10 0.00 1.24 0.00 0.00 39.78 41.11 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 -1.84 1.53 -1.67 3.44 0.31 -1.26 -4.01 118.33 114.83 1dp0 n VAL 103 Ca 0.00 -0.36 -0.47 0.00 -0.01 0.00 0.00 64.34 63.50 1dp0 n VAL 103 Cb 0.00 -1.86 -0.04 0.00 -0.91 0.00 0.00 33.84 31.02 1dp0 n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1dp0 n THR 104 N -4.19 0.27 -1.74 2.52 -1.04 -1.26 -3.44 114.28 105.39 1dp0 n THR 104 Ca -0.51 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.07 1dp0 n THR 104 Cb 0.87 -1.72 0.06 0.00 -1.82 0.00 0.00 70.33 67.73 1dp0 n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1dp0 s TYR 105 N 2.33 2.11 -1.61 -1.42 1.51 -1.26 -4.85 117.35 114.15 1dp0 s TYR 105 Ca 0.85 1.45 0.31 0.00 -1.01 0.00 0.00 57.07 58.67 1dp0 s TYR 105 Cb -0.67 -3.74 1.65 0.00 -0.11 0.00 0.00 41.96 39.09 1dp0 s TYR 105 CO 0.43 -2.97 2.11 -0.35 -1.11 0.00 0.00 175.55 173.67 1dp0 n PRO 106 N -1.70 0.61 -4.35 -1.71 -0.04 -1.26 -4.75 135.00 121.81 1dp0 n PRO 106 Ca 0.15 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1dp0 n PRO 106 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.39 1.54 0.35 0.52 -4.36 -1.26 -5.06 121.20 110.53 1dp0 s ILE 107 Ca 0.35 -2.15 -0.28 0.00 -0.26 0.00 0.00 60.65 58.31 1dp0 s ILE 107 Cb 0.21 -2.15 -0.12 0.00 1.25 0.00 0.00 42.46 41.66 1dp0 s ILE 107 CO 0.43 -0.52 1.43 0.41 0.24 0.00 0.00 174.94 176.94 1dp0 n THR 108 N -0.40 1.80 -2.70 8.37 -1.04 -1.26 -4.88 114.28 114.15 1dp0 n THR 108 Ca -0.07 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.07 1dp0 n THR 108 Cb 0.62 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 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 -0.89 4.10 -0.44 12.58 1.01 -1.26 -4.80 120.40 130.70 1dp0 s VAL 109 Ca 0.56 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.91 1dp0 s VAL 109 Cb -0.52 -4.73 0.30 0.00 0.00 0.00 0.00 36.38 31.43 1dp0 s VAL 109 CO 0.60 -1.47 0.89 -3.20 0.00 0.00 0.00 175.10 171.93 1dp0 n ASN 110 N 8.30 -1.40 -4.76 3.32 5.15 -1.26 -5.12 115.26 119.49 1dp0 n ASN 110 Ca 0.02 -3.32 -0.39 0.00 -0.60 0.00 0.00 54.58 50.29 1dp0 n ASN 110 Cb 0.48 0.97 0.02 0.00 -0.53 0.00 0.00 39.78 40.72 1dp0 n ASN 110 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1dp0 s PRO 111 N -0.46 3.52 -0.17 1.20 0.04 -1.26 -0.72 135.00 137.15 1dp0 s PRO 111 Ca 0.30 2.31 0.13 0.00 0.04 0.00 0.00 61.00 63.78 1dp0 s PRO 111 Cb 0.27 -2.51 0.66 0.00 0.04 0.00 0.00 34.50 32.96 1dp0 s PRO 111 CO -0.11 -0.92 1.53 -0.35 0.04 0.00 0.00 177.00 177.19 1dp0 n PRO 112 N -0.47 4.00 -2.18 0.56 -0.04 -1.26 -5.10 135.00 130.51 1dp0 n PRO 112 Ca 0.07 -2.57 -0.31 0.00 -0.04 0.00 0.00 63.50 60.65 1dp0 n PRO 112 Cb 0.43 -2.05 -0.01 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.28 3.53 0.27 0.54 0.40 0.10 -4.31 117.98 116.23 1dp0 s PHE 113 Ca 0.45 1.37 0.06 0.00 -0.60 0.00 0.00 56.93 58.21 1dp0 s PHE 113 Cb 0.33 -2.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.06 1dp0 s PHE 113 CO 0.15 -0.50 -0.05 0.14 0.70 0.00 0.00 175.22 175.66 1dp0 s VAL 114 N -2.87 1.56 0.69 -0.44 -7.23 -1.26 -4.53 120.40 106.32 1dp0 s VAL 114 Ca 0.57 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 1dp0 s VAL 114 Cb -0.10 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1dp0 s VAL 114 CO 0.42 -0.31 1.10 -2.65 -0.31 0.00 0.00 175.10 173.35 1dp0 n PRO 115 N -0.55 0.72 0.08 4.82 -0.02 -1.26 -4.90 135.00 133.89 1dp0 n PRO 115 Ca -0.05 0.30 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1dp0 n PRO 115 Cb 0.63 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.02 1.44 -2.29 3.45 1.35 -2.00 -3.35 112.91 111.53 1dp0 h THR 116 Ca -0.49 -2.28 -0.58 0.00 -0.55 0.00 0.00 66.41 62.51 1dp0 h THR 116 Cb 1.34 2.22 -0.11 0.00 -1.73 0.00 0.00 68.15 69.87 1dp0 h THR 116 CO 0.49 0.67 0.95 -1.61 -0.25 0.00 0.00 175.52 175.77 1dp0 s GLU 117 N -3.50 3.24 -0.34 4.72 2.02 -1.26 -4.71 118.70 118.86 1dp0 s GLU 117 Ca -0.03 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1dp0 s GLU 117 Cb 0.11 -4.38 0.10 0.00 0.10 0.00 0.00 34.13 30.07 1dp0 s GLU 117 CO 0.81 -2.04 0.10 1.21 0.02 0.00 0.00 175.26 175.36 1dp0 s ASN 118 N 3.87 4.24 -0.01 -0.19 2.47 0.00 -4.98 114.94 120.34 1dp0 s ASN 118 Ca 0.33 -1.96 -0.38 0.00 0.42 0.00 0.00 52.86 51.27 1dp0 s ASN 118 Cb -0.09 -1.16 -0.16 0.00 -1.45 0.00 0.00 41.25 38.38 1dp0 s ASN 118 CO 0.09 -0.38 1.46 -2.65 -3.72 0.00 0.00 177.10 171.90 1dp0 n PRO 119 N 4.45 1.18 -4.79 0.43 -0.02 -1.22 -3.33 135.00 131.71 1dp0 n PRO 119 Ca 0.01 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 1dp0 n PRO 119 Cb 0.41 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.33 1.67 -0.23 3.45 2.01 0.36 -1.13 115.64 123.10 1dp0 s THR 120 Ca 0.88 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 1dp0 s THR 120 Cb -0.98 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1dp0 s THR 120 CO 0.52 0.47 0.05 -0.83 -0.69 0.00 0.00 174.62 174.14 1dp0 s GLY 121 N 0.65 1.76 -0.44 4.40 0.00 0.11 -0.61 107.32 113.20 1dp0 s GLY 121 Ca -0.13 -1.04 -0.15 0.00 0.00 0.00 0.00 44.72 43.39 1dp0 s GLY 121 CO 0.04 0.39 0.34 0.00 0.00 0.00 0.00 173.10 173.86 1dp0 s TYR 123 N 1.66 3.02 0.07 0.00 1.51 -0.36 -1.52 117.35 121.73 1dp0 s TYR 123 Ca 0.05 -0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.87 1dp0 s TYR 123 Cb -0.21 -1.48 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1dp0 s TYR 123 CO 0.09 0.51 0.43 -1.54 -1.11 0.00 0.00 175.55 173.93 1dp0 s SER 124 N -2.82 -0.30 -0.12 2.29 1.04 -0.37 -0.33 113.70 113.09 1dp0 s SER 124 Ca 0.29 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 1dp0 s SER 124 Cb -0.10 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1dp0 s SER 124 CO 0.21 -0.74 0.30 -0.22 0.98 0.00 0.00 173.24 173.77 1dp0 s LEU 125 N -2.27 0.45 -0.22 2.42 2.96 -0.73 -1.02 118.68 120.27 1dp0 s LEU 125 Ca -0.03 0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1dp0 s LEU 125 Cb 0.00 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.64 1dp0 s LEU 125 CO -0.06 -0.15 0.07 -0.89 -1.32 0.00 0.00 176.35 174.00 1dp0 s THR 126 N 0.90 4.54 0.20 3.68 2.01 -1.26 -0.54 115.64 125.16 1dp0 s THR 126 Ca -0.06 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 1dp0 s THR 126 Cb -0.07 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 1dp0 s THR 126 CO -0.06 0.38 0.38 0.72 -0.69 0.00 0.00 174.62 175.36 1dp0 s PHE 127 N 1.10 0.32 0.09 4.92 -0.12 0.15 -4.93 117.98 119.50 1dp0 s PHE 127 Ca 0.04 -0.67 -0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1dp0 s PHE 127 Cb -0.14 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1dp0 s PHE 127 CO 0.03 -0.84 0.26 1.21 -0.05 0.00 0.00 175.22 175.83 1dp0 s ASN 128 N -2.97 6.39 -0.06 1.98 2.47 -1.26 -0.08 114.94 121.41 1dp0 s ASN 128 Ca 0.18 0.35 0.02 0.00 0.42 0.00 0.00 52.86 53.83 1dp0 s ASN 128 Cb 0.01 -1.99 0.02 0.00 -1.45 0.00 0.00 41.25 37.84 1dp0 s ASN 128 CO 0.03 0.13 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.76 1dp0 s VAL 129 N -1.56 0.87 0.21 -5.21 1.01 0.31 -4.96 120.40 111.07 1dp0 s VAL 129 Ca 0.37 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1dp0 s VAL 129 Cb -0.13 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1dp0 s VAL 129 CO 0.27 0.30 1.19 -1.81 0.00 0.00 0.00 175.10 175.05 1dp0 s ASP 130 N 0.84 7.10 0.60 3.32 1.01 -1.26 -1.00 116.67 127.27 1dp0 s ASP 130 Ca -0.12 2.27 0.31 0.00 0.71 0.00 0.00 52.55 55.72 1dp0 s ASP 130 Cb -0.15 -2.61 1.81 0.00 1.01 0.00 0.00 42.92 42.98 1dp0 s ASP 130 CO 0.01 -0.34 2.20 -0.08 0.21 0.00 0.00 175.17 177.17 1dp0 h GLU 131 N 4.89 0.00 0.00 8.23 4.57 -1.94 0.17 114.58 130.49 1dp0 h GLU 131 Ca -0.45 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1dp0 h GLU 131 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1dp0 h GLU 131 CO 0.73 0.00 -0.04 0.66 -1.18 0.00 0.00 179.01 179.17 1dp0 h SER 132 N 0.00 0.00 1.95 1.04 4.64 -1.98 0.20 113.55 119.40 1dp0 h SER 132 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1dp0 h SER 132 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1dp0 h SER 132 CO -0.00 0.04 -0.01 -0.50 -0.87 0.00 0.00 176.83 175.49 1dp0 h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -0.95 -3.35 115.95 120.48 1dp0 h TRP 133 Ca -0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 1dp0 h TRP 133 Cb 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 1dp0 h TRP 133 CO 0.00 0.01 -2.04 1.28 -3.56 0.00 0.00 178.44 174.13 1dp0 n LEU 134 N -3.10 0.00 0.18 -4.49 4.77 -0.40 -4.37 117.00 109.59 1dp0 n LEU 134 Ca 0.04 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1dp0 n LEU 134 Cb 0.52 0.24 0.57 0.00 -2.33 0.00 0.00 43.42 42.43 1dp0 n LEU 134 CO 0.34 0.24 0.91 0.06 -1.33 0.00 0.00 177.39 177.61 1dp0 h GLN 135 N 0.00 0.00 -3.26 3.23 3.07 -0.79 -3.44 115.11 113.91 1dp0 h GLN 135 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.44 1dp0 h GLN 135 Cb 1.55 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 28.99 1dp0 h GLN 135 CO 0.01 0.00 0.04 -1.83 0.09 0.00 0.00 178.83 177.14 1dp0 s GLU 136 N -3.45 1.24 1.07 0.06 -1.05 -1.26 -5.12 118.70 110.19 1dp0 s GLU 136 Ca 0.03 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 1dp0 s GLU 136 Cb 0.09 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1dp0 s GLU 136 CO 0.44 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.55 1dp0 n GLY 137 N -0.31 -1.86 3.16 -3.83 0.00 -1.26 -4.75 105.19 96.34 1dp0 n GLY 137 Ca -0.14 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.22 2.43 -0.24 1.61 0.74 0.22 -4.81 119.66 119.38 1dp0 s GLN 138 Ca 0.00 -0.71 -0.06 0.00 0.05 0.00 0.00 55.36 54.64 1dp0 s GLN 138 Cb 0.00 -1.93 -0.02 0.00 1.10 0.00 0.00 33.01 32.17 1dp0 s GLN 138 CO 0.00 0.17 0.02 0.99 -0.55 0.00 0.00 175.29 175.93 1dp0 s THR 139 N 0.32 3.88 0.28 -0.34 2.01 -1.26 -0.59 115.64 119.93 1dp0 s THR 139 Ca -0.14 -0.37 0.11 0.00 0.31 0.00 0.00 61.69 61.61 1dp0 s THR 139 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1dp0 s THR 139 CO 0.06 0.34 -0.16 0.00 -0.69 0.00 0.00 174.62 174.17 1dp0 s ARG 140 N 1.54 1.81 0.02 4.92 1.70 -0.15 -0.49 118.95 128.31 1dp0 s ARG 140 Ca 0.06 -1.69 0.05 0.00 -0.47 0.00 0.00 55.73 53.67 1dp0 s ARG 140 Cb -0.15 -1.86 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 1dp0 s ARG 140 CO 0.01 0.34 -0.10 -1.50 -1.08 0.00 0.00 175.30 172.97 1dp0 s ILE 141 N -2.46 3.42 -0.13 4.99 2.07 -0.37 -0.71 121.20 128.01 1dp0 s ILE 141 Ca 0.30 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 58.63 1dp0 s ILE 141 Cb -0.05 -2.49 0.02 0.00 0.13 0.00 0.00 42.46 40.07 1dp0 s ILE 141 CO 0.16 0.35 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.78 1dp0 s ILE 142 N -1.00 1.46 -0.44 2.00 1.01 0.93 -1.48 121.20 123.67 1dp0 s ILE 142 Ca 0.17 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 1dp0 s ILE 142 Cb -0.11 -1.37 0.08 0.00 0.01 0.00 0.00 42.46 41.07 1dp0 s ILE 142 CO 0.08 0.44 0.31 -0.36 0.00 0.00 0.00 174.94 175.41 1dp0 s PHE 143 N 1.37 3.31 0.24 3.97 0.40 -0.13 -0.92 117.98 126.22 1dp0 s PHE 143 Ca 0.02 -1.35 0.34 0.00 -0.60 0.00 0.00 56.93 55.34 1dp0 s PHE 143 Cb -0.13 -3.07 1.54 0.00 0.51 0.00 0.00 43.02 41.87 1dp0 s PHE 143 CO -0.08 -0.84 2.05 -0.44 0.70 0.00 0.00 175.22 176.61 1dp0 h ASP 144 N 8.53 0.00 -1.29 1.36 3.32 -0.89 -0.76 116.42 126.69 1dp0 h ASP 144 Ca -0.25 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.94 1dp0 h ASP 144 Cb 1.09 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 1dp0 h ASP 144 CO 0.81 0.03 0.02 -0.83 -1.72 0.00 0.00 179.24 177.54 1dp0 s GLY 145 N -4.18 -0.51 -0.09 2.75 0.00 -1.26 -3.47 107.32 100.54 1dp0 s GLY 145 Ca -0.00 2.60 -0.01 0.00 0.00 0.00 0.00 44.72 47.31 1dp0 s GLY 145 CO 0.53 3.25 -0.05 0.14 0.00 0.00 0.00 173.10 176.98 1dp0 s VAL 146 N 2.72 0.76 -0.25 1.40 1.01 -1.25 -1.83 120.40 122.96 1dp0 s VAL 146 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1dp0 s VAL 146 Cb -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1dp0 s VAL 146 CO -0.18 0.32 -0.04 0.21 0.00 0.00 0.00 175.10 175.42 1dp0 s ASN 147 N 1.75 4.43 -0.00 3.32 3.84 0.15 -4.03 114.94 124.41 1dp0 s ASN 147 Ca 0.04 -0.79 0.03 0.00 0.21 0.00 0.00 52.86 52.35 1dp0 s ASN 147 Cb -0.13 -1.70 -0.04 0.00 -0.55 0.00 0.00 41.25 38.83 1dp0 s ASN 147 CO -0.06 -0.12 0.09 -1.54 -2.79 0.00 0.00 177.10 172.67 1dp0 n SER 148 N 4.71 2.13 -3.59 -4.21 3.41 -0.73 -0.47 113.62 114.88 1dp0 n SER 148 Ca -0.16 -0.30 -0.12 0.00 -0.26 0.00 0.00 58.87 58.03 1dp0 n SER 148 Cb 0.48 1.06 -0.05 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 -1.71 -1.14 0.08 7.33 0.00 -1.19 -3.94 121.76 121.20 1dp0 s ALA 149 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1dp0 s ALA 149 Cb 0.02 0.60 0.07 0.00 0.00 0.00 0.00 23.12 23.81 1dp0 s ALA 149 CO 0.12 -0.60 0.62 -0.59 0.00 0.00 0.00 175.76 175.30 1dp0 s PHE 150 N -3.29 -0.57 -0.02 0.00 -0.12 -0.61 -0.76 117.98 112.61 1dp0 s PHE 150 Ca -0.00 0.62 0.01 0.00 -0.05 0.00 0.00 56.93 57.50 1dp0 s PHE 150 Cb 0.00 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1dp0 s PHE 150 CO -0.08 -0.75 0.00 -1.01 -0.05 0.00 0.00 175.22 173.33 1dp0 s HIS 151 N -2.75 3.10 -0.05 3.49 3.76 -0.66 -1.45 115.29 120.72 1dp0 s HIS 151 Ca -0.04 0.10 0.03 0.00 -0.15 0.00 0.00 55.06 55.01 1dp0 s HIS 151 Cb -0.01 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1dp0 s HIS 151 CO -0.04 0.46 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.00 1dp0 s LEU 152 N -1.45 1.81 0.16 0.89 2.96 -0.56 -0.94 118.68 121.55 1dp0 s LEU 152 Ca 0.19 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 1dp0 s LEU 152 Cb -0.11 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1dp0 s LEU 152 CO 0.09 0.10 -0.21 0.26 -1.32 0.00 0.00 176.35 175.27 1dp0 s TRP 153 N 0.30 1.99 -0.06 5.38 0.51 -0.23 -0.02 118.94 126.82 1dp0 s TRP 153 Ca -0.08 -0.42 -0.02 0.00 -2.12 0.00 0.00 56.10 53.46 1dp0 s TRP 153 Cb -0.13 -1.00 0.03 0.00 -0.81 0.00 0.00 33.47 31.55 1dp0 s TRP 153 CO 0.03 0.37 0.02 0.00 -0.51 0.00 0.00 176.95 176.86 1dp0 n ASN 155 N 5.17 -5.76 0.00 0.00 3.02 0.86 -1.81 115.26 116.73 1dp0 n ASN 155 Ca -0.06 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1dp0 n ASN 155 Cb 0.50 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 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 -1.77 2.37 3.71 7.41 0.00 -1.22 -5.00 105.19 110.69 1dp0 n GLY 156 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 3.24 0.13 1.61 0.52 -0.75 -4.90 118.95 118.72 1dp0 s ARG 157 Ca 0.00 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 1dp0 s ARG 157 Cb 0.00 -2.93 -0.07 0.00 0.52 0.00 0.00 34.95 32.46 1dp0 s ARG 157 CO 0.00 0.64 1.28 -0.46 0.02 0.00 0.00 175.30 176.77 1dp0 s TRP 158 N -0.68 3.34 -0.20 -0.53 -0.00 -1.26 -0.55 118.94 119.06 1dp0 s TRP 158 Ca 0.11 1.21 -0.13 0.00 -0.00 0.00 0.00 56.10 57.29 1dp0 s TRP 158 Cb -0.12 -3.54 -0.08 0.00 -0.00 0.00 0.00 33.47 29.73 1dp0 s TRP 158 CO 0.02 -1.71 -0.29 0.28 -0.00 0.00 0.00 176.95 175.25 1dp0 n VAL 159 N 3.39 1.32 -2.16 5.86 0.31 0.98 -4.91 118.33 123.11 1dp0 n VAL 159 Ca 0.08 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1dp0 n VAL 159 Cb 0.44 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 1.65 -1.21 3.15 2.92 0.00 -1.13 -4.71 105.19 105.86 1dp0 n GLY 160 Ca -0.35 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.72 0.02 0.03 1.61 5.04 -0.63 -1.49 117.35 119.21 1dp0 s TYR 161 Ca 0.00 -0.14 -0.17 0.00 -2.44 0.00 0.00 57.07 54.32 1dp0 s TYR 161 Cb 0.00 -0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.31 1dp0 s TYR 161 CO 0.00 -0.35 0.38 0.20 -1.34 0.00 0.00 175.55 174.44 1dp0 s GLY 162 N -1.63 -0.23 0.34 8.97 0.00 -0.53 -1.38 107.32 112.85 1dp0 s GLY 162 Ca -0.11 0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1dp0 s GLY 162 CO 0.00 0.05 0.13 1.20 0.00 0.00 0.00 173.10 174.49 1dp0 s GLN 163 N -2.22 1.70 0.00 2.90 -0.21 -0.72 -1.57 119.66 119.54 1dp0 s GLN 163 Ca -0.07 -1.99 0.00 0.00 0.02 0.00 0.00 55.36 53.32 1dp0 s GLN 163 Cb -0.02 -0.38 0.00 0.00 1.00 0.00 0.00 33.01 33.62 1dp0 s GLN 163 CO -0.01 -0.42 0.00 -3.47 -2.12 0.00 0.00 175.29 169.28 1dp0 n ASP 164 N -1.00 -1.64 0.00 5.90 -0.08 -1.25 -4.93 116.55 113.54 1dp0 n ASP 164 Ca -0.02 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.36 1dp0 n ASP 164 Cb 0.65 -0.82 0.54 0.00 2.34 0.00 0.00 41.12 43.84 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 -0.04 1.67 7.64 -1.26 -3.70 113.62 117.94 1dp0 n SER 165 Ca 0.00 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1dp0 n SER 165 Cb 0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.10 2.98 -4.16 1.43 5.12 -1.26 -3.81 116.66 115.86 1dp0 n ARG 166 Ca 0.13 -1.54 -0.16 0.00 -1.93 0.00 0.00 57.85 54.35 1dp0 n ARG 166 Cb 0.10 -1.02 -0.11 0.00 -1.16 0.00 0.00 32.46 30.27 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 -1.01 2.34 0.39 0.55 1.43 -1.24 -4.44 118.68 116.69 1dp0 s LEU 167 Ca 0.01 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.15 1dp0 s LEU 167 Cb 0.01 -0.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.77 1dp0 s LEU 167 CO 0.01 -0.18 1.22 -2.16 0.23 0.00 0.00 176.35 175.47 1dp0 s PRO 168 N -2.22 4.10 -0.12 1.29 0.04 -1.23 -4.51 135.00 132.35 1dp0 s PRO 168 Ca 0.01 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1dp0 s PRO 168 Cb -0.07 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1dp0 s PRO 168 CO 0.01 -0.33 -0.16 -1.12 0.04 0.00 0.00 177.00 175.45 1dp0 s SER 169 N -0.91 3.81 0.05 6.66 0.01 -0.29 -4.94 113.70 118.09 1dp0 s SER 169 Ca 0.55 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.51 1dp0 s SER 169 Cb -0.34 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 1dp0 s SER 169 CO 0.44 0.18 -0.17 -1.61 0.41 0.00 0.00 173.24 172.48 1dp0 s GLU 170 N 0.25 1.12 -0.00 12.44 2.02 -1.26 -0.96 118.70 132.31 1dp0 s GLU 170 Ca -0.11 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 53.99 1dp0 s GLU 170 Cb -0.16 -1.20 -0.00 0.00 0.10 0.00 0.00 34.13 32.87 1dp0 s GLU 170 CO 0.06 0.30 0.03 -0.06 0.02 0.00 0.00 175.26 175.61 1dp0 s PHE 171 N -0.88 0.06 -0.28 1.61 0.40 -0.55 -1.07 117.98 117.26 1dp0 s PHE 171 Ca 0.04 -0.12 -0.27 0.00 -0.60 0.00 0.00 56.93 55.98 1dp0 s PHE 171 Cb -0.09 -0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.40 1dp0 s PHE 171 CO 0.02 -0.10 0.98 0.34 0.70 0.00 0.00 175.22 177.15 1dp0 s ASP 172 N -0.60 6.91 0.00 1.36 -1.08 -1.26 -1.23 116.67 120.76 1dp0 s ASP 172 Ca -0.07 1.05 0.21 0.00 -0.52 0.00 0.00 52.55 53.23 1dp0 s ASP 172 Cb -0.04 -2.50 0.37 0.00 -1.46 0.00 0.00 42.92 39.29 1dp0 s ASP 172 CO -0.00 -0.73 1.34 0.18 0.52 0.00 0.00 175.17 176.48 1dp0 n LEU 173 N 6.48 3.29 -0.26 -1.34 4.77 0.36 -4.68 117.00 125.62 1dp0 n LEU 173 Ca 0.09 -1.48 0.05 0.00 -0.03 0.00 0.00 56.01 54.65 1dp0 n LEU 173 Cb 0.47 -0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.50 1dp0 n LEU 173 CO 0.54 0.70 0.81 0.28 -1.33 0.00 0.00 177.39 178.40 1dp0 h SER 174 N 4.12 -0.38 0.38 -1.43 0.02 -1.84 0.24 113.55 114.66 1dp0 h SER 174 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1dp0 h SER 174 Cb 0.93 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1dp0 h SER 174 CO 0.00 -0.19 -0.04 0.00 -1.14 0.00 0.00 176.83 175.46 1dp0 n ALA 175 N -2.97 2.63 0.41 3.77 0.00 -1.26 -3.78 120.51 119.30 1dp0 n ALA 175 Ca 0.14 -0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.44 1dp0 n ALA 175 Cb 0.48 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.08 0.00 -3.09 0.00 3.01 0.77 -5.02 117.46 112.06 1dp0 n PHE 176 Ca 0.16 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.40 1dp0 n PHE 176 Cb 0.23 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 -3.21 3.72 0.06 4.37 1.43 -0.85 -4.71 118.68 119.49 1dp0 s LEU 177 Ca 0.01 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1dp0 s LEU 177 Cb 0.10 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1dp0 s LEU 177 CO 0.60 -0.64 -0.06 0.00 0.23 0.00 0.00 176.35 176.48 1dp0 s ARG 178 N -4.47 0.60 0.34 1.70 1.70 -1.26 -5.03 118.95 112.53 1dp0 s ARG 178 Ca 0.47 -0.96 -0.28 0.00 -0.47 0.00 0.00 55.73 54.49 1dp0 s ARG 178 Cb -0.10 -0.17 -0.12 0.00 -0.57 0.00 0.00 34.95 33.99 1dp0 s ARG 178 CO 0.36 0.00 1.31 0.00 -1.08 0.00 0.00 175.30 175.90 1dp0 n ALA 179 N 0.89 1.41 0.00 7.88 0.00 -1.26 -4.57 120.51 124.85 1dp0 n ALA 179 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1dp0 n ALA 179 Cb 0.57 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 0.76 0.67 3.73 0.00 0.00 -0.17 -4.92 105.19 105.26 1dp0 n GLY 180 Ca 0.04 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 4.61 0.08 1.61 0.41 -1.26 -0.53 118.70 123.62 1dp0 s GLU 181 Ca 0.00 1.63 0.01 0.00 -0.41 0.00 0.00 54.97 56.20 1dp0 s GLU 181 Cb 0.00 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1dp0 s GLU 181 CO 0.00 0.09 -0.05 -0.80 -0.49 0.00 0.00 175.26 174.01 1dp0 s ASN 182 N 0.03 0.88 -0.08 -0.19 0.01 0.88 -4.85 114.94 111.62 1dp0 s ASN 182 Ca 0.49 -0.98 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 1dp0 s ASN 182 Cb -0.27 0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.54 1dp0 s ASN 182 CO 0.33 -0.50 -0.10 -0.60 -1.51 0.00 0.00 177.10 174.71 1dp0 s ARG 183 N -3.75 1.55 0.07 -0.60 3.52 -1.26 0.32 118.95 118.79 1dp0 s ARG 183 Ca 0.09 -0.33 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1dp0 s ARG 183 Cb 0.06 -1.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.01 1dp0 s ARG 183 CO -0.06 -0.07 0.27 -0.51 -0.81 0.00 0.00 175.30 174.12 1dp0 s LEU 184 N 0.98 4.33 -0.08 -0.88 1.43 0.30 -0.10 118.68 124.67 1dp0 s LEU 184 Ca -0.09 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1dp0 s LEU 184 Cb -0.15 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1dp0 s LEU 184 CO 0.00 0.16 -0.08 0.00 0.23 0.00 0.00 176.35 176.66 1dp0 s ALA 185 N -1.50 1.09 -0.13 4.21 0.00 -0.15 -1.78 121.76 123.51 1dp0 s ALA 185 Ca 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1dp0 s ALA 185 Cb -0.13 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1dp0 s ALA 185 CO 0.24 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.84 1dp0 s VAL 186 N 1.17 1.28 -0.29 0.00 1.01 0.56 -1.06 120.40 123.05 1dp0 s VAL 186 Ca -0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1dp0 s VAL 186 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1dp0 s VAL 186 CO -0.02 0.41 0.14 -0.32 0.00 0.00 0.00 175.10 175.31 1dp0 s MET 187 N 1.55 3.46 -0.23 2.72 1.75 -0.12 -1.22 119.30 127.20 1dp0 s MET 187 Ca 0.04 -0.63 -0.08 0.00 -1.25 0.00 0.00 55.69 53.77 1dp0 s MET 187 Cb -0.13 -3.51 -0.04 0.00 2.84 0.00 0.00 34.83 33.99 1dp0 s MET 187 CO -0.09 -0.34 0.09 0.08 -0.65 0.00 0.00 175.02 174.11 1dp0 s VAL 188 N 1.62 4.66 -0.13 10.11 1.01 -0.29 -1.65 120.40 135.74 1dp0 s VAL 188 Ca 0.05 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1dp0 s VAL 188 Cb -0.17 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1dp0 s VAL 188 CO 0.06 0.36 0.47 -0.76 0.00 0.00 0.00 175.10 175.23 1dp0 s LEU 189 N 1.26 4.26 0.12 3.92 1.43 0.06 -0.71 118.68 129.02 1dp0 s LEU 189 Ca 0.05 0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 53.76 1dp0 s LEU 189 Cb -0.14 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1dp0 s LEU 189 CO 0.04 -0.01 1.67 -0.09 0.23 0.00 0.00 176.35 178.20 1dp0 h ARG 190 N 6.78 0.50 -6.42 1.70 2.43 -1.40 -1.91 114.38 116.06 1dp0 h ARG 190 Ca -0.40 -0.09 -0.69 0.00 -0.81 0.00 0.00 59.98 57.99 1dp0 h ARG 190 Cb 1.18 -0.08 -0.23 0.00 -0.42 0.00 0.00 29.97 30.42 1dp0 h ARG 190 CO 0.75 0.49 -0.78 -1.58 -1.51 0.00 0.00 179.97 177.35 1dp0 s TRP 191 N -5.58 2.66 0.32 2.20 0.52 -1.26 -3.82 118.94 113.98 1dp0 s TRP 191 Ca -0.13 -0.19 -0.14 0.00 0.02 0.00 0.00 56.10 55.66 1dp0 s TRP 191 Cb 0.09 -1.57 0.02 0.00 -1.15 0.00 0.00 33.47 30.87 1dp0 s TRP 191 CO 0.74 0.22 0.64 -1.54 0.02 0.00 0.00 176.95 177.02 1dp0 s SER 192 N -1.02 0.07 0.63 2.95 1.04 -1.26 -4.91 113.70 111.20 1dp0 s SER 192 Ca 0.13 -1.01 0.40 0.00 0.48 0.00 0.00 55.95 55.95 1dp0 s SER 192 Cb -0.11 0.72 2.16 0.00 0.10 0.00 0.00 66.02 68.90 1dp0 s SER 192 CO 0.03 -1.40 2.29 -2.24 0.98 0.00 0.00 173.24 172.90 1dp0 h ASP 193 N 2.08 0.00 0.17 7.02 3.04 -1.12 0.12 116.42 127.73 1dp0 h ASP 193 Ca -0.27 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.50 1dp0 h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1dp0 h ASP 193 CO 0.34 0.01 -0.10 1.23 -2.04 0.00 0.00 179.24 178.68 1dp0 h GLY 194 N 0.32 0.00 2.00 7.15 0.00 -1.91 -2.14 103.07 108.49 1dp0 h GLY 194 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1dp0 h GLY 194 CO 0.00 0.00 -0.03 1.76 0.00 0.00 0.00 176.54 178.27 1dp0 h SER 195 N 0.00 0.00 0.79 0.19 0.02 -1.11 -0.11 113.55 113.33 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 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1dp0 h SER 195 CO 0.01 0.03 0.00 1.88 -1.14 0.00 0.00 176.83 177.62 1dp0 h TYR 196 N 0.00 0.00 -0.62 3.45 -1.99 -1.53 -1.67 116.97 114.61 1dp0 h TYR 196 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dp0 h TYR 196 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 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 -2.72 4.02 -2.80 3.88 4.77 -0.06 -4.38 117.00 119.70 1dp0 n LEU 197 Ca 0.01 -2.18 -0.18 0.00 -0.03 0.00 0.00 56.01 53.63 1dp0 n LEU 197 Cb 0.25 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1dp0 n LEU 197 CO 0.23 0.88 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.50 1dp0 n GLU 198 N 1.19 1.90 -1.19 3.23 1.02 -0.63 -0.38 120.64 125.78 1dp0 n GLU 198 Ca 0.22 -3.79 -0.27 0.00 -0.02 0.00 0.00 57.16 53.30 1dp0 n GLU 198 Cb 0.68 -1.73 0.11 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.09 5.80 -4.75 1.62 2.03 -0.15 -4.98 116.55 116.03 1dp0 n ASP 199 Ca 0.23 -3.57 -0.36 0.00 0.52 0.00 0.00 54.79 51.60 1dp0 n ASP 199 Cb 0.68 -0.91 0.04 0.00 -0.72 0.00 0.00 41.12 40.20 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 -3.26 2.99 -0.98 -0.67 1.11 -1.26 -4.61 119.66 112.98 1dp0 s GLN 200 Ca 0.56 1.88 -0.24 0.00 0.01 0.00 0.00 55.36 57.57 1dp0 s GLN 200 Cb 0.45 -1.97 -0.01 0.00 -1.01 0.00 0.00 33.01 30.47 1dp0 s GLN 200 CO 0.04 -1.21 1.77 0.34 0.01 0.00 0.00 175.29 176.24 1dp0 s ASP 201 N -1.51 5.65 0.12 5.90 2.15 -1.26 -4.82 116.67 122.91 1dp0 s ASP 201 Ca 0.77 -1.07 -0.25 0.00 0.43 0.00 0.00 52.55 52.43 1dp0 s ASP 201 Cb -0.32 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.82 1dp0 s ASP 201 CO 0.35 -2.29 1.07 0.00 -0.17 0.00 0.00 175.17 174.12 1dp0 s MET 202 N 6.19 1.05 0.41 4.34 0.23 -1.26 -5.02 119.30 125.24 1dp0 s MET 202 Ca 0.61 -0.62 -0.27 0.00 -1.03 0.00 0.00 55.69 54.38 1dp0 s MET 202 Cb -0.04 0.33 -0.10 0.00 -1.53 0.00 0.00 34.83 33.49 1dp0 s MET 202 CO -0.03 -0.48 1.45 0.91 -2.03 0.00 0.00 175.02 174.84 1dp0 n TRP 203 N -0.58 2.82 -3.45 3.16 7.02 -1.26 -4.32 117.44 120.83 1dp0 n TRP 203 Ca -0.05 0.45 -0.43 0.00 -1.02 0.00 0.00 57.50 56.45 1dp0 n TRP 203 Cb 0.61 -2.49 -0.10 0.00 -2.42 0.00 0.00 31.31 26.91 1dp0 n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1dp0 s ARG 204 N -2.26 2.97 0.35 -0.99 1.81 0.12 -4.92 118.95 116.03 1dp0 s ARG 204 Ca 0.57 -1.08 0.01 0.00 -1.72 0.00 0.00 55.73 53.51 1dp0 s ARG 204 Cb -0.47 -4.01 -0.00 0.00 -0.45 0.00 0.00 34.95 30.02 1dp0 s ARG 204 CO 0.61 -0.80 0.04 -1.33 -0.68 0.00 0.00 175.30 173.13 1dp0 n MET 205 N 5.17 0.96 -3.81 3.54 2.81 -1.26 -1.82 117.12 122.71 1dp0 n MET 205 Ca -0.11 -2.64 -0.08 0.00 -1.81 0.00 0.00 57.70 53.05 1dp0 n MET 205 Cb 0.46 0.94 -0.03 0.00 -0.71 0.00 0.00 33.22 33.89 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 -2.97 -0.26 0.00 7.83 1.04 -1.26 -4.85 113.70 113.23 1dp0 s SER 206 Ca 0.05 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1dp0 s SER 206 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1dp0 s SER 206 CO 0.04 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1dp0 n GLY 207 N -0.41 0.81 3.37 7.32 0.00 0.38 -1.93 105.19 114.72 1dp0 n GLY 207 Ca -0.06 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.97 5.19 -1.52 -0.61 1.01 -1.19 -0.67 121.20 122.44 1dp0 s ILE 208 Ca 0.00 -1.86 0.14 0.00 0.00 0.00 0.00 60.65 58.93 1dp0 s ILE 208 Cb 0.00 -4.54 0.25 0.00 0.01 0.00 0.00 42.46 38.17 1dp0 s ILE 208 CO 0.00 -1.16 1.13 2.22 0.00 0.00 0.00 174.94 177.13 1dp0 n PHE 209 N 5.22 0.28 -4.36 3.97 1.16 -0.76 -1.27 117.46 121.69 1dp0 n PHE 209 Ca 0.09 -0.23 -0.19 0.00 -1.87 0.00 0.00 57.45 55.25 1dp0 n PHE 209 Cb 0.46 -0.01 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 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 -1.11 1.60 0.51 3.97 0.52 -1.14 -4.29 118.95 119.00 1dp0 s ARG 210 Ca 0.23 -1.91 -0.20 0.00 -0.52 0.00 0.00 55.73 53.32 1dp0 s ARG 210 Cb 0.14 -0.25 -0.09 0.00 0.52 0.00 0.00 34.95 35.27 1dp0 s ARG 210 CO 0.19 -0.40 0.70 -0.25 0.02 0.00 0.00 175.30 175.55 1dp0 n ASP 211 N -0.87 -0.25 -4.19 0.23 8.00 -1.26 -4.37 116.55 113.84 1dp0 n ASP 211 Ca -0.00 0.85 -0.31 0.00 0.71 0.00 0.00 54.79 56.04 1dp0 n ASP 211 Cb 0.65 -1.23 -0.17 0.00 -0.02 0.00 0.00 41.12 40.36 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 -1.53 1.89 0.15 2.53 1.01 -1.26 -0.30 120.40 122.89 1dp0 s VAL 212 Ca 0.67 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1dp0 s VAL 212 Cb -0.50 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1dp0 s VAL 212 CO 0.55 0.52 0.14 -0.94 0.00 0.00 0.00 175.10 175.37 1dp0 s SER 213 N 0.31 0.21 -0.11 3.32 1.04 -0.09 -0.07 113.70 118.30 1dp0 s SER 213 Ca -0.16 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.17 1dp0 s SER 213 Cb -0.17 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1dp0 s SER 213 CO 0.07 -0.80 -0.19 -0.76 0.98 0.00 0.00 173.24 172.54 1dp0 s LEU 214 N -3.04 2.36 -0.10 2.42 1.43 0.24 -0.05 118.68 121.94 1dp0 s LEU 214 Ca 0.24 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1dp0 s LEU 214 Cb 0.06 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1dp0 s LEU 214 CO 0.03 0.18 -0.18 -0.22 0.23 0.00 0.00 176.35 176.38 1dp0 s LEU 215 N 0.26 1.87 -0.23 1.79 2.96 0.11 -0.20 118.68 125.25 1dp0 s LEU 215 Ca -0.13 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 1dp0 s LEU 215 Cb -0.17 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1dp0 s LEU 215 CO 0.07 0.08 0.11 -2.28 -1.32 0.00 0.00 176.35 173.01 1dp0 s HIS 216 N 0.65 3.24 0.14 5.38 5.65 -0.49 -0.97 115.29 128.88 1dp0 s HIS 216 Ca -0.13 0.04 0.10 0.00 0.25 0.00 0.00 55.06 55.32 1dp0 s HIS 216 Cb -0.16 -2.21 -0.04 0.00 -1.18 0.00 0.00 32.58 28.99 1dp0 s HIS 216 CO 0.04 -0.00 -0.23 0.15 -0.65 0.00 0.00 174.74 174.05 1dp0 s LYS 217 N 0.99 1.31 0.73 2.88 -0.14 0.24 -4.72 119.74 121.02 1dp0 s LYS 217 Ca 0.06 -1.33 -0.11 0.00 -1.36 0.00 0.00 55.97 53.23 1dp0 s LYS 217 Cb -0.14 -1.62 0.03 0.00 -1.68 0.00 0.00 37.83 34.43 1dp0 s LYS 217 CO 0.03 0.37 1.07 -2.14 -0.76 0.00 0.00 175.35 173.92 1dp0 s PRO 218 N -2.25 2.62 0.25 -1.68 0.02 -1.26 0.72 135.00 133.42 1dp0 s PRO 218 Ca 0.13 1.05 -0.05 0.00 0.02 0.00 0.00 61.00 62.15 1dp0 s PRO 218 Cb -0.09 -1.95 0.27 0.00 0.02 0.00 0.00 34.50 32.75 1dp0 s PRO 218 CO 0.06 -1.35 1.83 1.15 -0.33 0.00 0.00 177.00 178.37 1dp0 h THR 219 N -0.91 1.25 -3.56 0.99 2.02 -1.93 -3.34 112.91 107.43 1dp0 h THR 219 Ca -0.44 -0.72 -0.68 0.00 0.77 0.00 0.00 66.41 65.34 1dp0 h THR 219 Cb 1.22 0.29 -0.17 0.00 -1.74 0.00 0.00 68.15 67.75 1dp0 h THR 219 CO 0.54 0.30 -0.11 -0.89 0.37 0.00 0.00 175.52 175.74 1dp0 s THR 220 N -5.58 5.01 0.15 3.16 2.01 -1.26 -3.88 115.64 115.26 1dp0 s THR 220 Ca -0.12 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1dp0 s THR 220 Cb 0.16 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1dp0 s THR 220 CO 0.82 -0.45 0.23 0.00 -0.69 0.00 0.00 174.62 174.53 1dp0 s GLN 221 N 2.34 1.10 -0.22 4.92 -2.07 -0.05 -4.89 119.66 120.80 1dp0 s GLN 221 Ca 0.15 -1.23 -0.29 0.00 -1.82 0.00 0.00 55.36 52.18 1dp0 s GLN 221 Cb -0.16 0.35 -0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1dp0 s GLN 221 CO 0.15 -0.38 1.19 0.42 -1.32 0.00 0.00 175.29 175.35 1dp0 s ILE 222 N -3.98 4.39 -0.61 3.63 1.01 -1.26 -1.18 121.20 123.20 1dp0 s ILE 222 Ca 0.18 1.66 0.18 0.00 0.00 0.00 0.00 60.65 62.67 1dp0 s ILE 222 Cb 0.04 -4.15 -0.22 0.00 0.01 0.00 0.00 42.46 38.15 1dp0 s ILE 222 CO 0.00 -0.23 0.66 -1.54 0.00 0.00 0.00 174.94 173.83 1dp0 n SER 223 N 6.71 0.83 -3.55 3.58 3.41 0.27 -4.92 113.62 119.94 1dp0 n SER 223 Ca 0.13 -0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 58.01 1dp0 n SER 223 Cb 0.46 1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 65.62 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 -3.10 -0.31 -0.21 4.04 2.15 -1.18 -4.89 116.67 113.17 1dp0 s ASP 224 Ca 0.03 0.13 -0.21 0.00 0.43 0.00 0.00 52.55 52.94 1dp0 s ASP 224 Cb 0.13 0.30 0.06 0.00 -0.30 0.00 0.00 42.92 43.11 1dp0 s ASP 224 CO 0.74 -0.44 0.58 0.72 -0.17 0.00 0.00 175.17 176.61 1dp0 s PHE 225 N -2.26 -0.64 -0.06 -5.34 -0.12 -1.26 -1.17 117.98 107.14 1dp0 s PHE 225 Ca 0.04 1.53 0.04 0.00 -0.05 0.00 0.00 56.93 58.49 1dp0 s PHE 225 Cb -0.01 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 1dp0 s PHE 225 CO -0.05 -0.32 -0.17 -1.01 -0.05 0.00 0.00 175.22 173.62 1dp0 s HIS 226 N 0.22 1.82 -0.13 3.49 3.76 0.05 -4.82 115.29 119.70 1dp0 s HIS 226 Ca -0.01 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 1dp0 s HIS 226 Cb -0.04 -1.25 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 1dp0 s HIS 226 CO 0.01 -0.24 -0.16 0.08 -0.85 0.00 0.00 174.74 173.59 1dp0 s VAL 227 N 0.23 2.77 0.11 -0.90 1.01 -1.26 -1.35 120.40 121.02 1dp0 s VAL 227 Ca -0.09 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.23 1dp0 s VAL 227 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1dp0 s VAL 227 CO 0.04 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.44 1dp0 s ALA 228 N 0.43 2.02 -0.10 5.51 0.00 -0.45 -4.86 121.76 124.31 1dp0 s ALA 228 Ca -0.12 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 1dp0 s ALA 228 Cb -0.16 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1dp0 s ALA 228 CO 0.05 0.42 0.01 0.95 0.00 0.00 0.00 175.76 177.19 1dp0 s THR 229 N -1.15 0.43 0.18 0.00 -4.23 -1.26 -0.97 115.64 108.64 1dp0 s THR 229 Ca 0.09 -0.05 0.10 0.00 -1.18 0.00 0.00 61.69 60.66 1dp0 s THR 229 Cb -0.10 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 1dp0 s THR 229 CO 0.05 0.16 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.98 1dp0 s ARG 230 N 1.94 1.75 0.24 3.99 0.52 -0.80 -4.79 118.95 121.79 1dp0 s ARG 230 Ca 0.04 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 53.90 1dp0 s ARG 230 Cb -0.13 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 1dp0 s ARG 230 CO -0.06 0.43 0.01 -0.06 0.02 0.00 0.00 175.30 175.63 1dp0 s PHE 231 N -1.58 1.57 0.96 -0.53 0.40 -1.26 -1.03 117.98 116.51 1dp0 s PHE 231 Ca 0.22 -0.95 -0.14 0.00 -0.60 0.00 0.00 56.93 55.45 1dp0 s PHE 231 Cb -0.09 -0.92 0.22 0.00 0.51 0.00 0.00 43.02 42.74 1dp0 s PHE 231 CO 0.12 -0.07 1.31 0.54 0.70 0.00 0.00 175.22 177.82 1dp0 s ASN 232 N -3.31 2.99 0.48 1.36 4.22 -0.66 -4.95 114.94 115.08 1dp0 s ASN 232 Ca 0.30 0.05 0.14 0.00 -2.14 0.00 0.00 52.86 51.21 1dp0 s ASN 232 Cb 0.06 -0.03 1.14 0.00 1.28 0.00 0.00 41.25 43.69 1dp0 s ASN 232 CO 0.09 -2.79 2.09 -2.24 -2.04 0.00 0.00 177.10 172.21 1dp0 h ASP 233 N -1.61 0.05 -0.18 3.54 2.03 -2.01 -2.50 116.42 115.74 1dp0 h ASP 233 Ca -0.43 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1dp0 h ASP 233 Cb 1.22 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1dp0 h ASP 233 CO 0.32 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.73 1dp0 n ASP 234 N -4.46 3.19 -0.78 4.15 5.75 -1.26 -4.94 116.55 118.19 1dp0 n ASP 234 Ca -0.02 -2.83 -0.10 0.00 -0.01 0.00 0.00 54.79 51.82 1dp0 n ASP 234 Cb 0.14 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1dp0 n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1dp0 n PHE 235 N -0.64 0.00 0.71 2.11 3.01 -0.94 -4.86 117.46 116.85 1dp0 n PHE 235 Ca 0.17 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.75 1dp0 n PHE 235 Cb 0.71 -2.09 0.26 0.00 -0.01 0.00 0.00 39.48 38.35 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 -0.14 0.61 -3.97 4.37 3.41 -1.26 -4.52 113.62 112.12 1dp0 n SER 236 Ca -0.10 0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 1dp0 n SER 236 Cb 0.39 0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.11 0.41 0.09 4.33 1.81 -1.26 0.12 118.95 121.34 1dp0 s ARG 237 Ca 0.08 -0.25 0.03 0.00 -1.72 0.00 0.00 55.73 53.87 1dp0 s ARG 237 Cb 0.15 -0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 1dp0 s ARG 237 CO 0.68 0.10 -0.08 0.00 -0.68 0.00 0.00 175.30 175.32 1dp0 s ALA 238 N -0.27 0.94 -0.18 2.13 0.00 0.13 -1.65 121.76 122.86 1dp0 s ALA 238 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1dp0 s ALA 238 Cb -0.03 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1dp0 s ALA 238 CO -0.00 -0.12 -0.19 0.08 0.00 0.00 0.00 175.76 175.53 1dp0 s VAL 239 N -2.73 2.14 -0.21 0.00 1.01 -0.20 -0.65 120.40 119.77 1dp0 s VAL 239 Ca 0.05 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1dp0 s VAL 239 Cb -0.01 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1dp0 s VAL 239 CO -0.02 0.52 0.49 -0.22 0.00 0.00 0.00 175.10 175.87 1dp0 s LEU 240 N 1.30 4.14 -0.17 3.92 0.20 0.16 -1.91 118.68 126.32 1dp0 s LEU 240 Ca 0.05 0.62 0.01 0.00 0.69 0.00 0.00 54.13 55.49 1dp0 s LEU 240 Cb -0.13 -2.66 0.01 0.00 -0.43 0.00 0.00 46.19 42.98 1dp0 s LEU 240 CO -0.12 -0.17 -0.17 -0.70 -0.29 0.00 0.00 176.35 174.90 1dp0 s GLU 241 N 1.64 3.11 -0.23 1.98 2.12 -0.14 -0.45 118.70 126.72 1dp0 s GLU 241 Ca 0.22 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1dp0 s GLU 241 Cb -0.15 -2.61 0.05 0.00 0.26 0.00 0.00 34.13 31.68 1dp0 s GLU 241 CO 0.09 -0.10 -0.14 0.00 -0.54 0.00 0.00 175.26 174.58 1dp0 s ALA 242 N 1.06 2.50 -0.09 6.30 0.00 0.29 -1.33 121.76 130.48 1dp0 s ALA 242 Ca -0.01 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.16 1dp0 s ALA 242 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1dp0 s ALA 242 CO -0.05 -0.93 0.56 -2.00 0.00 0.00 0.00 175.76 173.33 1dp0 s GLU 243 N 1.16 4.36 -0.03 0.00 2.12 -0.46 -0.95 118.70 124.91 1dp0 s GLU 243 Ca -0.05 0.61 0.05 0.00 0.36 0.00 0.00 54.97 55.95 1dp0 s GLU 243 Cb -0.18 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1dp0 s GLU 243 CO -0.07 0.16 -0.19 0.08 -0.54 0.00 0.00 175.26 174.70 1dp0 s VAL 244 N 0.57 1.51 0.16 3.70 1.01 0.94 -0.77 120.40 127.52 1dp0 s VAL 244 Ca 0.30 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.60 1dp0 s VAL 244 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1dp0 s VAL 244 CO 0.13 0.43 -0.23 -1.10 0.00 0.00 0.00 175.10 174.34 1dp0 s GLN 245 N -0.24 1.57 0.18 2.72 -0.21 -0.32 -1.36 119.66 122.01 1dp0 s GLN 245 Ca 0.02 -1.40 0.06 0.00 0.02 0.00 0.00 55.36 54.06 1dp0 s GLN 245 Cb -0.09 -1.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.94 1dp0 s GLN 245 CO 0.01 0.43 -0.10 0.00 -2.12 0.00 0.00 175.29 173.50 1dp0 s MET 246 N -2.43 1.21 0.13 2.91 0.23 -0.42 -0.57 119.30 120.36 1dp0 s MET 246 Ca 0.19 -1.54 0.08 0.00 -1.03 0.00 0.00 55.69 53.39 1dp0 s MET 246 Cb -0.09 -0.82 -0.04 0.00 -1.53 0.00 0.00 34.83 32.35 1dp0 s MET 246 CO 0.09 0.10 -0.18 0.00 -2.03 0.00 0.00 175.02 173.00 1dp0 n GLY 248 N 0.64 -0.07 3.71 0.00 0.00 -1.25 -0.87 105.19 107.35 1dp0 n GLY 248 Ca -0.16 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 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 -0.48 4.51 0.39 1.61 2.12 -1.26 -5.01 118.70 120.59 1dp0 s GLU 249 Ca 0.00 1.23 -0.24 0.00 0.36 0.00 0.00 54.97 56.32 1dp0 s GLU 249 Cb 0.00 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 1dp0 s GLU 249 CO 0.00 -0.03 1.04 -0.51 -0.54 0.00 0.00 175.26 175.22 1dp0 s LEU 250 N 1.01 4.15 -0.05 2.70 1.43 -1.26 -5.02 118.68 121.64 1dp0 s LEU 250 Ca 0.47 2.02 -0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1dp0 s LEU 250 Cb -0.20 -4.18 0.02 0.00 0.03 0.00 0.00 46.19 41.86 1dp0 s LEU 250 CO 0.24 -0.46 0.24 -0.13 0.23 0.00 0.00 176.35 176.47 1dp0 s ARG 251 N -2.47 0.45 0.62 1.70 1.81 -1.26 -5.02 118.95 114.77 1dp0 s ARG 251 Ca 0.57 0.02 0.40 0.00 -1.72 0.00 0.00 55.73 55.00 1dp0 s ARG 251 Cb -0.22 0.20 2.00 0.00 -0.45 0.00 0.00 34.95 36.48 1dp0 s ARG 251 CO 0.27 -0.10 2.22 -0.44 -0.68 0.00 0.00 175.30 176.57 1dp0 h ASP 252 N 4.84 0.00 0.50 0.23 3.32 -2.00 -1.67 116.42 121.64 1dp0 h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 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 0.37 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.85 1dp0 n TYR 253 N -3.11 0.00 -2.41 4.55 0.18 -1.26 -4.87 117.16 110.24 1dp0 n TYR 253 Ca -0.02 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.43 1dp0 n TYR 253 Cb 0.17 -0.25 -0.02 0.00 -0.38 0.00 0.00 39.34 38.86 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 -2.55 3.77 0.08 -3.48 1.43 -0.63 -0.27 118.68 117.03 1dp0 s LEU 254 Ca 0.28 1.94 -0.07 0.00 -1.03 0.00 0.00 54.13 55.25 1dp0 s LEU 254 Cb 0.20 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 1dp0 s LEU 254 CO 0.47 -0.92 0.15 -0.13 0.23 0.00 0.00 176.35 176.15 1dp0 s ARG 255 N -3.40 0.78 -0.03 1.70 1.81 0.47 -4.22 118.95 116.06 1dp0 s ARG 255 Ca 0.67 -0.98 0.05 0.00 -1.72 0.00 0.00 55.73 53.75 1dp0 s ARG 255 Cb -0.17 0.31 -0.01 0.00 -0.45 0.00 0.00 34.95 34.63 1dp0 s ARG 255 CO 0.24 -0.23 -0.17 0.08 -0.68 0.00 0.00 175.30 174.54 1dp0 s VAL 256 N -3.76 1.36 -0.08 3.52 1.01 0.96 -1.20 120.40 122.20 1dp0 s VAL 256 Ca 0.04 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1dp0 s VAL 256 Cb 0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1dp0 s VAL 256 CO -0.10 0.39 -0.24 -0.89 0.00 0.00 0.00 175.10 174.26 1dp0 s THR 257 N -0.15 2.14 -0.12 3.92 2.01 -0.52 -1.26 115.64 121.67 1dp0 s THR 257 Ca 0.01 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1dp0 s THR 257 Cb -0.09 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.62 1dp0 s THR 257 CO 0.01 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 1dp0 s VAL 258 N 0.08 2.07 0.12 3.82 1.01 -0.29 -0.71 120.40 126.50 1dp0 s VAL 258 Ca -0.11 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 60.99 1dp0 s VAL 258 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1dp0 s VAL 258 CO 0.06 0.55 -0.26 -0.94 0.00 0.00 0.00 175.10 174.52 1dp0 s SER 259 N 0.62 3.14 -0.09 3.32 1.04 -0.44 -1.14 113.70 120.15 1dp0 s SER 259 Ca -0.12 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.63 1dp0 s SER 259 Cb -0.16 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1dp0 s SER 259 CO 0.02 0.16 -0.22 -0.22 0.98 0.00 0.00 173.24 173.97 1dp0 s LEU 260 N -1.94 2.00 0.07 2.42 2.96 -0.01 -0.95 118.68 123.23 1dp0 s LEU 260 Ca 0.12 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 1dp0 s LEU 260 Cb -0.10 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1dp0 s LEU 260 CO 0.05 0.14 -0.23 0.26 -1.32 0.00 0.00 176.35 175.25 1dp0 s TRP 261 N 0.39 2.04 -0.35 5.38 0.52 0.39 0.35 118.94 127.66 1dp0 s TRP 261 Ca -0.18 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.57 1dp0 s TRP 261 Cb -0.17 -1.18 0.10 0.00 -1.15 0.00 0.00 33.47 31.07 1dp0 s TRP 261 CO 0.08 0.16 0.10 -1.14 0.02 0.00 0.00 176.95 176.17 1dp0 s GLN 262 N -1.46 1.20 7.62 4.98 2.00 0.07 -0.88 119.66 133.19 1dp0 s GLN 262 Ca 0.10 -1.63 0.00 0.00 -2.00 0.00 0.00 55.36 51.83 1dp0 s GLN 262 Cb -0.10 -2.68 0.00 0.00 0.80 0.00 0.00 33.01 31.04 1dp0 s GLN 262 CO 0.03 -0.99 0.00 0.41 -0.50 0.00 0.00 175.29 174.24 1dp0 n GLY 263 N 4.35 3.02 0.21 2.59 0.00 -1.26 -1.88 105.19 112.23 1dp0 n GLY 263 Ca 0.02 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 13.56 0.67 -3.06 1.61 1.02 -1.26 -4.86 120.64 128.33 1dp0 n GLU 264 Ca 0.00 -0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 56.32 1dp0 n GLU 264 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 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 -2.62 4.89 -0.32 2.62 2.01 -0.79 -5.00 115.64 116.43 1dp0 s THR 265 Ca 0.20 1.46 -0.24 0.00 0.31 0.00 0.00 61.69 63.42 1dp0 s THR 265 Cb 0.19 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1dp0 s THR 265 CO 0.58 0.34 0.83 -1.58 -0.69 0.00 0.00 174.62 174.09 1dp0 s GLN 266 N 0.22 3.95 0.00 4.92 0.74 -1.26 -0.75 119.66 127.48 1dp0 s GLN 266 Ca 0.36 0.62 -0.13 0.00 0.05 0.00 0.00 55.36 56.26 1dp0 s GLN 266 Cb -0.19 -3.74 -0.34 0.00 1.10 0.00 0.00 33.01 29.84 1dp0 s GLN 266 CO 0.20 -0.74 0.89 0.28 -0.55 0.00 0.00 175.29 175.37 1dp0 h VAL 267 N 5.64 1.17 -2.95 1.34 2.07 -0.45 -3.48 116.25 119.59 1dp0 h VAL 267 Ca -0.24 -2.65 0.02 0.00 0.82 0.00 0.00 66.70 64.65 1dp0 h VAL 267 Cb 1.09 2.94 -0.10 0.00 -1.52 0.00 0.00 31.29 33.70 1dp0 h VAL 267 CO 0.91 0.83 0.24 0.00 0.02 0.00 0.00 177.57 179.57 1dp0 s ALA 268 N -2.60 -1.51 -0.26 1.67 0.00 -1.05 -4.99 121.76 113.03 1dp0 s ALA 268 Ca -0.11 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 1dp0 s ALA 268 Cb 0.05 0.85 0.08 0.00 0.00 0.00 0.00 23.12 24.10 1dp0 s ALA 268 CO 0.91 -0.85 0.80 0.45 0.00 0.00 0.00 175.76 177.08 1dp0 s SER 269 N -2.79 -0.66 0.01 0.00 0.15 -1.26 -0.82 113.70 108.32 1dp0 s SER 269 Ca 0.04 1.26 -0.03 0.00 0.70 0.00 0.00 55.95 57.92 1dp0 s SER 269 Cb -0.02 1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 65.54 1dp0 s SER 269 CO -0.07 -0.24 0.04 -0.83 1.20 0.00 0.00 173.24 173.35 1dp0 s GLY 270 N 0.25 0.12 0.07 9.45 0.00 -0.29 -4.99 107.32 111.94 1dp0 s GLY 270 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.46 1dp0 s GLY 270 CO -0.00 -0.39 -0.10 -1.59 0.00 0.00 0.00 173.10 171.01 1dp0 s THR 271 N -1.19 0.86 -0.02 0.90 2.01 -1.26 -1.14 115.64 115.80 1dp0 s THR 271 Ca -0.13 -1.38 -0.29 0.00 0.31 0.00 0.00 61.69 60.20 1dp0 s THR 271 Cb -0.08 -1.05 0.09 0.00 0.01 0.00 0.00 72.50 71.47 1dp0 s THR 271 CO 0.00 -0.42 0.75 0.00 -0.69 0.00 0.00 174.62 174.27 1dp0 s ALA 272 N -1.81 -1.77 0.72 7.40 0.00 -0.39 -4.98 121.76 120.93 1dp0 s ALA 272 Ca -0.01 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1dp0 s ALA 272 Cb -0.07 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1dp0 s ALA 272 CO 0.01 -0.48 1.10 -1.25 0.00 0.00 0.00 175.76 175.13 1dp0 s PRO 273 N -1.96 2.67 0.61 0.00 0.04 -1.26 -0.03 135.00 135.06 1dp0 s PRO 273 Ca -0.05 0.34 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1dp0 s PRO 273 Cb -0.00 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1dp0 s PRO 273 CO 0.01 -1.13 1.13 -0.06 0.04 0.00 0.00 177.00 176.99 1dp0 s PHE 274 N -3.38 2.61 0.00 0.56 0.40 -1.26 -4.86 117.98 112.06 1dp0 s PHE 274 Ca 0.59 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 1dp0 s PHE 274 Cb -0.11 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.18 1dp0 s PHE 274 CO 0.51 -1.69 0.00 0.41 0.70 0.00 0.00 175.22 175.15 1dp0 n GLY 275 N -0.15 2.04 3.96 4.36 0.00 0.35 -4.96 105.19 110.78 1dp0 n GLY 275 Ca 0.11 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 1.78 0.82 -0.02 0.00 0.69 -4.82 107.32 105.77 1dp0 s GLY 276 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 1dp0 s GLY 276 CO 0.00 -0.72 1.09 -1.83 0.00 0.00 0.00 173.10 171.64 1dp0 s GLU 277 N -5.62 1.88 0.29 2.90 -1.05 -1.26 -4.51 118.70 111.33 1dp0 s GLU 277 Ca 0.71 1.03 -0.30 0.00 -0.15 0.00 0.00 54.97 56.26 1dp0 s GLU 277 Cb -0.04 -1.86 -0.11 0.00 -0.44 0.00 0.00 34.13 31.67 1dp0 s GLU 277 CO 0.50 -1.87 1.60 0.42 0.95 0.00 0.00 175.26 176.86 1dp0 s ILE 278 N -2.92 2.06 -0.16 1.83 1.01 -1.26 -4.26 121.20 117.51 1dp0 s ILE 278 Ca 0.62 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1dp0 s ILE 278 Cb -0.17 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 1dp0 s ILE 278 CO 0.56 0.01 -0.15 -0.38 0.00 0.00 0.00 174.94 174.98 1dp0 n ILE 279 N 2.29 0.91 -2.94 2.92 2.08 0.12 -4.88 119.36 119.86 1dp0 n ILE 279 Ca 0.09 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.06 1dp0 n ILE 279 Cb 0.37 -1.13 0.00 0.00 -0.75 0.00 0.00 39.64 38.14 1dp0 n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1dp0 n ASP 280 N -3.04 0.00 0.32 4.38 5.68 -0.51 -4.99 116.55 118.38 1dp0 n ASP 280 Ca -0.28 -0.69 0.18 0.00 -0.50 0.00 0.00 54.79 53.49 1dp0 n ASP 280 Cb 0.79 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.73 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 -0.03 0.11 3.07 -2.05 -0.30 114.58 115.38 1dp0 h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dp0 h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1dp0 h GLU 281 CO 0.00 0.00 -0.01 0.54 -1.40 0.00 0.00 179.01 178.14 1dp0 n ARG 282 N -2.89 2.17 0.00 2.33 5.12 -1.26 -5.07 116.66 117.06 1dp0 n ARG 282 Ca -0.02 -1.71 0.00 0.00 -1.93 0.00 0.00 57.85 54.18 1dp0 n ARG 282 Cb 0.22 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.32 0.22 0.78 -0.13 0.00 -0.13 -5.06 105.19 102.19 1dp0 n GLY 283 Ca 0.15 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 3.83 3.52 -0.02 0.00 -1.26 0.16 105.19 111.43 1dp0 n GLY 284 Ca 0.00 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.12 2.95 -0.04 1.61 1.51 -1.26 -4.89 117.35 115.11 1dp0 s TYR 285 Ca 0.07 0.03 0.31 0.00 -1.01 0.00 0.00 57.07 56.48 1dp0 s TYR 285 Cb 0.00 -3.74 1.19 0.00 -0.11 0.00 0.00 41.96 39.31 1dp0 s TYR 285 CO 0.05 -1.08 1.91 0.00 -1.11 0.00 0.00 175.55 175.32 1dp0 h ALA 286 N 9.06 1.00 -0.54 3.71 0.00 -1.94 0.20 119.26 130.75 1dp0 h ALA 286 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 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 0.99 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.84 1dp0 n ASP 287 N -3.00 4.86 -4.17 0.00 5.75 -1.26 -3.41 116.55 115.31 1dp0 n ASP 287 Ca 0.01 -2.65 -0.11 0.00 -0.01 0.00 0.00 54.79 52.04 1dp0 n ASP 287 Cb 0.33 -0.62 -0.10 0.00 -1.03 0.00 0.00 41.12 39.70 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 -2.26 1.00 -0.06 0.11 0.52 -1.13 -1.31 118.95 115.83 1dp0 s ARG 288 Ca 0.48 -1.49 -0.26 0.00 -0.52 0.00 0.00 55.73 53.94 1dp0 s ARG 288 Cb 0.34 0.17 0.06 0.00 0.52 0.00 0.00 34.95 36.04 1dp0 s ARG 288 CO 0.18 -0.27 0.58 0.54 0.02 0.00 0.00 175.30 176.35 1dp0 s VAL 289 N -4.01 0.01 -0.15 3.52 0.11 -0.47 -0.50 120.40 118.92 1dp0 s VAL 289 Ca 0.27 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1dp0 s VAL 289 Cb 0.07 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 1dp0 s VAL 289 CO 0.04 -0.06 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.69 1dp0 s THR 290 N -1.06 2.51 -0.06 5.04 2.01 -1.26 -0.04 115.64 122.77 1dp0 s THR 290 Ca -0.10 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1dp0 s THR 290 Cb -0.02 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1dp0 s THR 290 CO 0.08 0.52 0.06 -0.76 -0.69 0.00 0.00 174.62 173.83 1dp0 s LEU 291 N 0.80 3.85 -0.12 4.42 2.01 -0.13 -4.93 118.68 124.57 1dp0 s LEU 291 Ca -0.06 0.20 0.01 0.00 0.01 0.00 0.00 54.13 54.29 1dp0 s LEU 291 Cb -0.15 -2.03 0.02 0.00 0.01 0.00 0.00 46.19 44.03 1dp0 s LEU 291 CO -0.00 0.34 -0.15 -0.13 1.01 0.00 0.00 176.35 177.42 1dp0 s ARG 292 N -1.23 2.24 -0.08 1.70 0.52 -1.26 -0.55 118.95 120.29 1dp0 s ARG 292 Ca 0.17 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1dp0 s ARG 292 Cb -0.12 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 1dp0 s ARG 292 CO 0.07 -0.12 -0.25 -0.51 0.02 0.00 0.00 175.30 174.51 1dp0 s LEU 293 N 1.15 2.08 0.02 2.53 1.43 0.40 -4.95 118.68 121.34 1dp0 s LEU 293 Ca -0.03 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 1dp0 s LEU 293 Cb -0.14 -1.39 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 1dp0 s LEU 293 CO -0.05 0.21 0.59 0.20 0.23 0.00 0.00 176.35 177.53 1dp0 s ASN 294 N 0.05 7.01 -0.12 2.29 0.01 -1.26 -0.66 114.94 122.25 1dp0 s ASN 294 Ca -0.10 1.20 -0.00 0.00 -0.71 0.00 0.00 52.86 53.25 1dp0 s ASN 294 Cb -0.16 -2.37 0.02 0.00 0.41 0.00 0.00 41.25 39.16 1dp0 s ASN 294 CO 0.06 0.15 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.01 1dp0 s VAL 295 N -0.46 1.22 0.03 1.60 1.01 0.17 -4.90 120.40 119.08 1dp0 s VAL 295 Ca 0.31 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1dp0 s VAL 295 Cb -0.19 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1dp0 s VAL 295 CO 0.18 0.40 0.55 -1.61 0.00 0.00 0.00 175.10 174.62 1dp0 s GLU 296 N 1.59 4.22 -1.34 2.72 0.41 -1.26 -0.69 118.70 124.34 1dp0 s GLU 296 Ca 0.04 0.68 -0.03 0.00 -0.41 0.00 0.00 54.97 55.25 1dp0 s GLU 296 Cb -0.13 -3.28 -0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1dp0 s GLU 296 CO -0.09 0.53 0.54 0.09 -0.49 0.00 0.00 175.26 175.84 1dp0 n ASN 297 N 2.17 -1.29 -4.75 -0.19 4.13 0.32 -4.90 115.26 110.75 1dp0 n ASN 297 Ca -0.09 -0.97 -0.38 0.00 1.68 0.00 0.00 54.58 54.82 1dp0 n ASN 297 Cb 0.51 -3.32 0.04 0.00 -1.54 0.00 0.00 39.78 35.47 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 -6.34 3.07 -0.18 3.52 0.04 -1.26 -4.94 135.00 128.91 1dp0 s PRO 298 Ca 0.08 2.14 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 1dp0 s PRO 298 Cb -0.03 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1dp0 s PRO 298 CO 0.87 -1.22 0.92 0.15 0.04 0.00 0.00 177.00 177.76 1dp0 s LYS 299 N -3.01 4.31 0.34 4.56 1.02 -1.26 -5.01 119.74 120.70 1dp0 s LYS 299 Ca 0.73 1.18 -0.14 0.00 0.02 0.00 0.00 55.97 57.76 1dp0 s LYS 299 Cb -0.38 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.25 1dp0 s LYS 299 CO 0.44 -0.42 0.75 -0.51 -0.92 0.00 0.00 175.35 174.70 1dp0 s LEU 300 N 2.44 4.01 -0.03 3.17 1.43 -1.26 -4.48 118.68 123.95 1dp0 s LEU 300 Ca 0.42 1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1dp0 s LEU 300 Cb -0.16 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 1dp0 s LEU 300 CO 0.12 -0.25 0.32 0.86 0.23 0.00 0.00 176.35 177.63 1dp0 s TRP 301 N -2.07 3.68 0.30 0.29 -0.00 0.04 -3.97 118.94 117.22 1dp0 s TRP 301 Ca 0.54 0.83 -0.15 0.00 -0.00 0.00 0.00 56.10 57.32 1dp0 s TRP 301 Cb -0.10 -2.17 0.02 0.00 -0.00 0.00 0.00 33.47 31.22 1dp0 s TRP 301 CO 0.20 0.67 0.63 -1.54 -0.00 0.00 0.00 176.95 176.91 1dp0 s SER 302 N -1.11 -0.01 0.45 5.86 1.04 -0.73 -4.68 113.70 114.53 1dp0 s SER 302 Ca 0.21 -0.93 0.25 0.00 0.48 0.00 0.00 55.95 55.96 1dp0 s SER 302 Cb -0.15 0.70 0.96 0.00 0.10 0.00 0.00 66.02 67.63 1dp0 s SER 302 CO 0.11 -1.36 1.84 0.00 0.98 0.00 0.00 173.24 174.81 1dp0 h ALA 303 N 2.09 1.02 -0.17 5.32 0.00 -1.91 -2.31 119.26 123.31 1dp0 h ALA 303 Ca -0.25 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1dp0 h ALA 303 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dp0 h ALA 303 CO 0.33 0.26 -0.54 0.93 0.00 0.00 0.00 179.25 180.23 1dp0 h GLU 304 N 0.00 0.66 -2.76 0.00 5.08 -1.94 -3.41 114.58 112.21 1dp0 h GLU 304 Ca -0.00 -0.49 -0.54 0.00 -1.00 0.00 0.00 59.36 57.33 1dp0 h GLU 304 Cb 0.72 0.08 -0.40 0.00 0.50 0.00 0.00 28.75 29.66 1dp0 h GLU 304 CO 0.03 1.11 -0.80 0.42 -1.00 0.00 0.00 179.01 178.77 1dp0 s ILE 305 N -3.87 0.02 -1.56 3.13 1.01 -1.12 -4.98 121.20 113.83 1dp0 s ILE 305 Ca -0.12 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 1dp0 s ILE 305 Cb 0.07 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1dp0 s ILE 305 CO 0.85 -0.79 2.67 -0.81 0.00 0.00 0.00 174.94 176.86 1dp0 n PRO 306 N 4.93 3.37 -1.83 2.79 -0.04 -0.88 -1.77 135.00 141.56 1dp0 n PRO 306 Ca -0.01 -2.37 -0.42 0.00 -0.04 0.00 0.00 63.50 60.66 1dp0 n PRO 306 Cb 0.41 -3.00 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 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 2.58 6.49 0.10 3.54 0.01 -1.25 -4.88 114.94 121.52 1dp0 s ASN 307 Ca 0.61 2.70 0.05 0.00 -0.71 0.00 0.00 52.86 55.51 1dp0 s ASN 307 Cb 0.16 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1dp0 s ASN 307 CO -0.07 -0.92 -0.14 -0.76 -1.51 0.00 0.00 177.10 173.70 1dp0 s LEU 308 N 1.72 2.35 0.46 0.60 1.43 -1.26 -4.21 118.68 119.76 1dp0 s LEU 308 Ca 0.74 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1dp0 s LEU 308 Cb -0.45 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1dp0 s LEU 308 CO 0.33 -0.13 0.17 -0.31 0.23 0.00 0.00 176.35 176.64 1dp0 s TYR 309 N -1.82 2.28 -0.08 0.29 1.51 -0.41 -4.72 117.35 114.40 1dp0 s TYR 309 Ca 0.04 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1dp0 s TYR 309 Cb -0.07 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1dp0 s TYR 309 CO 0.02 0.09 -0.17 0.50 -1.11 0.00 0.00 175.55 174.89 1dp0 s ARG 310 N -3.95 2.22 -0.18 -0.62 6.06 -0.06 -0.54 118.95 121.88 1dp0 s ARG 310 Ca 0.33 -0.59 -0.07 0.00 -2.50 0.00 0.00 55.73 52.90 1dp0 s ARG 310 Cb 0.03 -1.76 -0.04 0.00 0.06 0.00 0.00 34.95 33.24 1dp0 s ARG 310 CO 0.18 0.08 0.05 0.00 -2.50 0.00 0.00 175.30 173.11 1dp0 s ALA 311 N 0.57 3.35 -0.11 6.12 0.00 -0.16 -0.46 121.76 131.07 1dp0 s ALA 311 Ca -0.16 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1dp0 s ALA 311 Cb -0.17 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 1dp0 s ALA 311 CO 0.05 0.16 -0.22 0.08 0.00 0.00 0.00 175.76 175.83 1dp0 s VAL 312 N 0.41 2.23 -0.27 0.00 1.01 -0.13 -1.34 120.40 122.31 1dp0 s VAL 312 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1dp0 s VAL 312 Cb -0.13 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1dp0 s VAL 312 CO 0.01 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 174.94 1dp0 s VAL 313 N 0.35 3.05 -0.14 2.92 1.01 0.27 -1.32 120.40 126.54 1dp0 s VAL 313 Ca -0.17 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.71 1dp0 s VAL 313 Cb -0.18 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1dp0 s VAL 313 CO 0.08 0.11 -0.04 -1.61 0.00 0.00 0.00 175.10 173.64 1dp0 s GLU 314 N 1.33 3.47 -0.22 2.72 2.02 0.11 -1.09 118.70 127.04 1dp0 s GLU 314 Ca -0.01 -0.51 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 1dp0 s GLU 314 Cb -0.17 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1dp0 s GLU 314 CO -0.03 0.35 0.09 -1.17 0.02 0.00 0.00 175.26 174.53 1dp0 s LEU 315 N 0.05 3.74 0.35 1.80 2.96 0.35 -1.43 118.68 126.50 1dp0 s LEU 315 Ca 0.00 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1dp0 s LEU 315 Cb -0.13 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1dp0 s LEU 315 CO 0.03 0.06 0.59 -1.38 -1.32 0.00 0.00 176.35 174.33 1dp0 s HIS 316 N 1.05 0.66 0.37 5.38 -3.43 -0.34 -0.17 115.29 118.81 1dp0 s HIS 316 Ca 0.05 -1.06 0.06 0.00 -0.80 0.00 0.00 55.06 53.31 1dp0 s HIS 316 Cb -0.14 0.28 -0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1dp0 s HIS 316 CO 0.03 -1.29 0.52 0.95 -2.00 0.00 0.00 174.74 172.96 1dp0 s THR 317 N -2.86 3.75 0.53 -5.38 -4.23 0.04 -0.40 115.64 107.08 1dp0 s THR 317 Ca 0.24 -0.94 0.21 0.00 -1.18 0.00 0.00 61.69 60.02 1dp0 s THR 317 Cb -0.02 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 70.84 1dp0 s THR 317 CO 0.16 -0.13 2.09 0.00 -0.54 0.00 0.00 174.62 176.20 1dp0 h ALA 318 N 0.75 2.18 -0.02 3.99 0.00 -0.95 0.16 119.26 125.37 1dp0 h ALA 318 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1dp0 h ALA 318 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1dp0 h ALA 318 CO 0.51 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1dp0 n ASP 319 N -4.43 0.30 0.00 0.00 5.68 -1.26 -4.86 116.55 111.99 1dp0 n ASP 319 Ca 0.02 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1dp0 n ASP 319 Cb 0.30 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1dp0 n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dp0 n GLY 320 N 0.93 0.60 3.69 6.12 0.00 0.57 -5.06 105.19 112.03 1dp0 n GLY 320 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 4.55 0.18 2.61 2.01 -1.23 -4.76 115.64 116.99 1dp0 s THR 321 Ca 0.00 1.84 -0.30 0.00 0.31 0.00 0.00 61.69 63.54 1dp0 s THR 321 Cb 0.00 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 1dp0 s THR 321 CO 0.00 0.00 1.19 -0.22 -0.69 0.00 0.00 174.62 174.90 1dp0 s LEU 322 N 2.11 4.45 -0.22 4.42 2.96 -1.26 -0.78 118.68 130.35 1dp0 s LEU 322 Ca 0.52 2.20 -0.16 0.00 -0.22 0.00 0.00 54.13 56.47 1dp0 s LEU 322 Cb -0.21 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.75 1dp0 s LEU 322 CO 0.20 -0.36 -0.15 -0.38 -1.32 0.00 0.00 176.35 174.33 1dp0 n ILE 323 N 2.60 1.51 -3.74 6.68 5.41 0.76 -4.92 119.36 127.66 1dp0 n ILE 323 Ca 0.04 -0.11 -0.06 0.00 1.00 0.00 0.00 62.75 63.63 1dp0 n ILE 323 Cb 0.45 -2.08 -0.02 0.00 -0.71 0.00 0.00 39.64 37.29 1dp0 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1dp0 s GLU 324 N -2.49 1.40 0.02 0.38 -1.05 -0.99 -4.84 118.70 111.12 1dp0 s GLU 324 Ca -0.31 -0.74 0.02 0.00 -0.15 0.00 0.00 54.97 53.80 1dp0 s GLU 324 Cb 0.09 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1dp0 s GLU 324 CO 0.48 -0.64 -0.07 0.00 0.95 0.00 0.00 175.26 175.98 1dp0 s ALA 325 N -3.55 0.54 0.34 -0.84 0.00 0.19 -0.50 121.76 117.93 1dp0 s ALA 325 Ca 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1dp0 s ALA 325 Cb -0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 1dp0 s ALA 325 CO 0.02 0.06 0.02 -1.21 0.00 0.00 0.00 175.76 174.65 1dp0 s GLU 326 N -0.79 1.73 0.07 0.00 0.41 -0.25 -1.95 118.70 117.91 1dp0 s GLU 326 Ca -0.03 -1.95 -0.27 0.00 -0.41 0.00 0.00 54.97 52.32 1dp0 s GLU 326 Cb -0.06 -1.17 0.08 0.00 -1.78 0.00 0.00 34.13 31.21 1dp0 s GLU 326 CO 0.00 -0.10 0.85 0.00 -0.49 0.00 0.00 175.26 175.52 1dp0 s ALA 327 N -3.06 -1.72 0.18 5.21 0.00 -1.26 -0.57 121.76 120.54 1dp0 s ALA 327 Ca 0.35 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 1dp0 s ALA 327 Cb 0.08 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.80 1dp0 s ALA 327 CO 0.16 -0.79 0.52 0.00 0.00 0.00 0.00 175.76 175.64 1dp0 s ASP 329 N -2.84 7.56 -0.05 0.00 1.01 -1.26 -0.98 116.67 120.10 1dp0 s ASP 329 Ca 0.06 1.91 0.06 0.00 0.71 0.00 0.00 52.55 55.30 1dp0 s ASP 329 Cb -0.01 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1dp0 s ASP 329 CO -0.06 0.10 -0.24 -0.69 0.21 0.00 0.00 175.17 174.48 1dp0 s VAL 330 N -1.30 1.96 -0.19 -1.27 1.01 0.30 -4.69 120.40 116.22 1dp0 s VAL 330 Ca 0.44 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1dp0 s VAL 330 Cb -0.24 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1dp0 s VAL 330 CO 0.30 0.55 -0.15 -0.83 0.00 0.00 0.00 175.10 174.96 1dp0 s GLY 331 N -0.19 1.46 -0.55 4.51 0.00 -1.26 -1.28 107.32 110.00 1dp0 s GLY 331 Ca -0.02 -1.20 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 1dp0 s GLY 331 CO 0.03 0.32 1.25 -1.36 0.00 0.00 0.00 173.10 173.34 1dp0 s PHE 332 N 1.35 2.55 -0.06 1.90 0.40 -1.26 -4.81 117.98 118.05 1dp0 s PHE 332 Ca 0.05 0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 56.57 1dp0 s PHE 332 Cb -0.13 -4.47 0.07 0.00 0.51 0.00 0.00 43.02 38.99 1dp0 s PHE 332 CO -0.10 -1.66 0.64 -0.98 0.70 0.00 0.00 175.22 173.82 1dp0 s ARG 333 N 5.02 1.01 -0.07 0.44 3.03 -1.26 -0.78 118.95 126.33 1dp0 s ARG 333 Ca 0.47 0.24 0.03 0.00 2.03 0.00 0.00 55.73 58.51 1dp0 s ARG 333 Cb -0.08 0.47 -0.02 0.00 -1.03 0.00 0.00 34.95 34.29 1dp0 s ARG 333 CO 0.27 -0.31 -0.18 -2.00 -1.13 0.00 0.00 175.30 171.95 1dp0 s GLU 334 N -1.14 2.77 -0.13 3.89 2.12 -1.26 -4.88 118.70 120.06 1dp0 s GLU 334 Ca -0.11 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.48 1dp0 s GLU 334 Cb -0.01 -2.37 0.01 0.00 0.26 0.00 0.00 34.13 32.02 1dp0 s GLU 334 CO 0.09 0.42 -0.21 0.08 -0.54 0.00 0.00 175.26 175.10 1dp0 s VAL 335 N -0.22 2.17 0.06 3.70 1.01 -1.26 -0.80 120.40 125.06 1dp0 s VAL 335 Ca -0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1dp0 s VAL 335 Cb -0.13 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1dp0 s VAL 335 CO 0.03 0.55 0.32 0.00 0.00 0.00 0.00 175.10 176.00 1dp0 s ARG 336 N 0.69 0.88 -0.19 2.72 1.70 -0.40 -4.62 118.95 119.72 1dp0 s ARG 336 Ca -0.10 -0.58 -0.06 0.00 -0.47 0.00 0.00 55.73 54.52 1dp0 s ARG 336 Cb -0.16 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 1dp0 s ARG 336 CO 0.01 -0.30 0.01 0.42 -1.08 0.00 0.00 175.30 174.37 1dp0 s ILE 337 N -2.95 4.17 -0.06 4.99 1.01 -1.26 -0.04 121.20 127.06 1dp0 s ILE 337 Ca -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1dp0 s ILE 337 Cb 0.00 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.63 1dp0 s ILE 337 CO -0.06 0.44 0.14 -0.70 0.00 0.00 0.00 174.94 174.76 1dp0 s GLU 338 N 0.78 0.08 -1.41 2.79 2.12 0.51 -4.83 118.70 118.75 1dp0 s GLU 338 Ca 0.01 0.35 -0.03 0.00 0.36 0.00 0.00 54.97 55.66 1dp0 s GLU 338 Cb -0.14 -0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.09 1dp0 s GLU 338 CO 0.02 -0.16 0.27 -1.71 -0.54 0.00 0.00 175.26 173.14 1dp0 n ASN 339 N 4.16 -4.96 0.00 -1.70 5.15 -1.26 -1.52 115.26 115.14 1dp0 n ASN 339 Ca -0.26 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1dp0 n ASN 339 Cb 0.52 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 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 -1.13 0.75 3.26 8.20 0.00 -1.26 -5.04 105.19 109.97 1dp0 n GLY 340 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 2.05 -0.32 0.99 1.43 -0.57 -2.36 118.68 119.90 1dp0 s LEU 341 Ca 0.00 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1dp0 s LEU 341 Cb 0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1dp0 s LEU 341 CO 0.00 0.24 1.14 -0.22 0.23 0.00 0.00 176.35 177.75 1dp0 s LEU 342 N -0.19 3.91 0.06 1.79 2.96 -1.26 -0.36 118.68 125.58 1dp0 s LEU 342 Ca -0.02 1.08 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1dp0 s LEU 342 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1dp0 s LEU 342 CO 0.03 -0.95 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.26 1dp0 s LEU 343 N 3.87 3.06 -0.11 -0.68 1.43 0.95 -1.90 118.68 125.28 1dp0 s LEU 343 Ca 0.49 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1dp0 s LEU 343 Cb -0.13 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1dp0 s LEU 343 CO 0.18 0.23 -0.15 -0.22 0.23 0.00 0.00 176.35 176.62 1dp0 s LEU 344 N -1.81 1.72 -1.45 1.79 2.96 0.72 -1.27 118.68 121.34 1dp0 s LEU 344 Ca 0.19 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.54 1dp0 s LEU 344 Cb -0.11 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.55 1dp0 s LEU 344 CO 0.10 0.01 0.71 0.59 -1.32 0.00 0.00 176.35 176.44 1dp0 n ASN 345 N 4.29 -4.27 0.00 3.68 3.02 0.02 -1.07 115.26 120.93 1dp0 n ASN 345 Ca -0.19 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 1dp0 n ASN 345 Cb 0.51 -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 -1.41 0.88 3.43 7.41 0.00 -1.26 -5.02 105.19 109.23 1dp0 n GLY 346 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.05 2.15 0.01 1.61 -0.14 -0.23 -4.99 119.74 118.09 1dp0 s LYS 347 Ca 0.00 -0.92 -0.30 0.00 -1.36 0.00 0.00 55.97 53.39 1dp0 s LYS 347 Cb 0.00 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 1dp0 s LYS 347 CO 0.00 0.56 1.21 -1.25 -0.76 0.00 0.00 175.35 175.11 1dp0 s PRO 348 N -1.14 4.39 0.63 -1.68 0.04 -1.26 -0.20 135.00 135.78 1dp0 s PRO 348 Ca 0.13 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 1dp0 s PRO 348 Cb -0.10 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1dp0 s PRO 348 CO 0.03 -0.35 1.05 -0.51 0.04 0.00 0.00 177.00 177.26 1dp0 s LEU 349 N 1.63 3.36 -0.29 -3.56 1.43 -0.80 -4.93 118.68 115.51 1dp0 s LEU 349 Ca 0.58 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1dp0 s LEU 349 Cb -0.27 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.52 1dp0 s LEU 349 CO 0.26 -1.21 0.04 -0.22 0.23 0.00 0.00 176.35 175.46 1dp0 s LEU 350 N -4.89 2.97 -0.28 1.79 2.96 -1.26 -4.79 118.68 115.18 1dp0 s LEU 350 Ca 0.61 -1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 52.59 1dp0 s LEU 350 Cb -0.14 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.41 1dp0 s LEU 350 CO 0.44 -0.36 1.15 -0.63 -1.32 0.00 0.00 176.35 175.63 1dp0 s ILE 351 N 1.38 4.42 -1.00 6.68 -1.09 0.45 -4.94 121.20 127.10 1dp0 s ILE 351 Ca 0.06 1.65 -0.06 0.00 -2.23 0.00 0.00 60.65 60.07 1dp0 s ILE 351 Cb -0.18 -4.29 0.25 0.00 -1.58 0.00 0.00 42.46 36.66 1dp0 s ILE 351 CO -0.15 -0.39 0.94 -0.13 -1.23 0.00 0.00 174.94 173.98 1dp0 s ARG 352 N 3.69 3.74 0.41 2.79 0.52 -1.26 -2.35 118.95 126.49 1dp0 s ARG 352 Ca 0.49 -3.22 0.07 0.00 -0.52 0.00 0.00 55.73 52.55 1dp0 s ARG 352 Cb -0.15 -4.27 -0.04 0.00 0.52 0.00 0.00 34.95 31.02 1dp0 s ARG 352 CO 0.16 -1.25 0.27 0.20 0.02 0.00 0.00 175.30 174.70 1dp0 s GLY 353 N 0.66 2.24 -0.05 -3.53 0.00 -0.09 -0.74 107.32 105.81 1dp0 s GLY 353 Ca 0.29 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 42.89 1dp0 s GLY 353 CO -0.10 -1.81 0.28 0.54 0.00 0.00 0.00 173.10 172.01 1dp0 s VAL 354 N -2.54 0.04 0.13 1.40 0.11 -0.79 -1.26 120.40 117.48 1dp0 s VAL 354 Ca 0.44 -0.30 -0.22 0.00 -2.93 0.00 0.00 61.98 58.97 1dp0 s VAL 354 Cb 0.00 -0.51 -0.07 0.00 -1.53 0.00 0.00 36.38 34.27 1dp0 s VAL 354 CO 0.25 -0.17 0.68 0.20 -3.33 0.00 0.00 175.10 172.73 1dp0 s ASN 355 N -0.70 7.22 -0.09 3.54 0.01 0.30 -1.41 114.94 123.82 1dp0 s ASN 355 Ca -0.08 1.45 -0.03 0.00 -0.71 0.00 0.00 52.86 53.50 1dp0 s ASN 355 Cb -0.04 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 39.23 1dp0 s ASN 355 CO 0.02 0.23 0.05 -0.60 -1.51 0.00 0.00 177.10 175.29 1dp0 s ARG 356 N -1.19 0.20 0.56 -0.60 3.52 -0.94 -0.49 118.95 120.02 1dp0 s ARG 356 Ca 0.33 0.14 -0.15 0.00 -0.13 0.00 0.00 55.73 55.92 1dp0 s ARG 356 Cb -0.21 -1.05 -0.06 0.00 -1.56 0.00 0.00 34.95 32.07 1dp0 s ARG 356 CO 0.23 -0.42 1.01 -1.01 -0.81 0.00 0.00 175.30 174.29 1dp0 s HIS 357 N 2.08 3.43 -0.64 5.12 3.76 -1.26 -3.80 115.29 123.98 1dp0 s HIS 357 Ca 0.04 1.42 -0.21 0.00 -0.15 0.00 0.00 55.06 56.16 1dp0 s HIS 357 Cb -0.13 -2.80 0.08 0.00 1.11 0.00 0.00 32.58 30.84 1dp0 s HIS 357 CO -0.05 -0.59 0.88 -1.21 -0.85 0.00 0.00 174.74 172.92 1dp0 s GLU 358 N -4.44 3.09 -0.05 1.40 2.02 -1.26 -4.94 118.70 114.53 1dp0 s GLU 358 Ca 0.58 -1.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 1dp0 s GLU 358 Cb -0.11 -4.25 0.03 0.00 0.10 0.00 0.00 34.13 29.90 1dp0 s GLU 358 CO 0.40 -1.73 0.10 -1.58 0.02 0.00 0.00 175.26 172.47 1dp0 s HIS 359 N 3.59 -0.10 -0.03 1.61 2.46 -1.26 -4.54 115.29 117.02 1dp0 s HIS 359 Ca 0.19 0.33 0.03 0.00 0.47 0.00 0.00 55.06 56.08 1dp0 s HIS 359 Cb -0.19 -0.07 -0.00 0.00 -0.13 0.00 0.00 32.58 32.19 1dp0 s HIS 359 CO 0.09 -0.11 -0.13 -1.58 -2.47 0.00 0.00 174.74 170.54 1dp0 s HIS 360 N 0.75 1.30 0.15 3.88 5.04 0.10 -5.00 115.29 121.52 1dp0 s HIS 360 Ca -0.06 -0.34 0.35 0.00 -1.54 0.00 0.00 55.06 53.46 1dp0 s HIS 360 Cb -0.08 -0.89 1.50 0.00 0.04 0.00 0.00 32.58 33.14 1dp0 s HIS 360 CO -0.03 -0.12 2.02 -1.00 -2.34 0.00 0.00 174.74 173.27 1dp0 h PRO 361 N 6.29 0.00 0.00 2.88 0.13 -1.78 -0.87 132.00 138.65 1dp0 h PRO 361 Ca -0.33 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.48 1dp0 h PRO 361 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1dp0 h PRO 361 CO 0.48 0.00 -2.17 1.28 -0.23 0.00 0.00 178.00 177.37 1dp0 n LEU 362 N -3.05 2.69 -0.87 1.56 4.77 -1.26 -1.38 117.00 119.46 1dp0 n LEU 362 Ca 0.00 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1dp0 n LEU 362 Cb 0.27 -0.70 0.28 0.00 -2.33 0.00 0.00 43.42 40.95 1dp0 n LEU 362 CO 0.26 0.77 0.73 1.41 -1.33 0.00 0.00 177.39 179.23 1dp0 n HIS 363 N -3.27 0.36 0.00 -1.77 8.25 -1.23 -4.94 115.22 112.62 1dp0 n HIS 363 Ca -0.37 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1dp0 n HIS 363 Cb 0.87 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.98 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 1.32 2.17 0.98 -1.41 0.00 -0.33 -3.11 105.19 104.81 1dp0 n GLY 364 Ca 0.18 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 5.82 2.91 -2.94 1.61 6.02 -1.26 0.03 117.38 129.57 1dp0 n GLN 365 Ca 0.00 -2.38 -0.41 0.00 -0.01 0.00 0.00 57.00 54.20 1dp0 n GLN 365 Cb 0.00 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 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 -1.18 4.97 -0.03 5.09 1.01 -1.18 -4.85 120.40 124.23 1dp0 s VAL 366 Ca 0.35 1.61 -0.00 0.00 0.00 0.00 0.00 61.98 63.95 1dp0 s VAL 366 Cb 0.20 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1dp0 s VAL 366 CO 0.22 0.18 0.02 -0.04 0.00 0.00 0.00 175.10 175.49 1dp0 s MET 367 N 1.14 2.92 0.19 2.72 -1.94 -1.26 -4.65 119.30 118.42 1dp0 s MET 367 Ca 0.41 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.93 1dp0 s MET 367 Cb -0.18 -2.76 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 1dp0 s MET 367 CO 0.19 0.66 -0.10 0.16 -0.01 0.00 0.00 175.02 175.91 1dp0 s ASP 368 N -1.41 2.20 0.22 3.03 -4.77 -1.26 -5.03 116.67 109.65 1dp0 s ASP 368 Ca 0.19 -1.06 -0.07 0.00 -3.30 0.00 0.00 52.55 48.31 1dp0 s ASP 368 Cb -0.12 -0.07 0.19 0.00 -1.09 0.00 0.00 42.92 41.83 1dp0 s ASP 368 CO 0.09 -0.29 1.76 -0.08 0.70 0.00 0.00 175.17 177.35 1dp0 h GLU 369 N 2.61 1.10 -0.80 2.11 4.81 -2.00 -1.79 114.58 120.63 1dp0 h GLU 369 Ca -0.38 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.58 1dp0 h GLU 369 Cb 1.21 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1dp0 h GLU 369 CO 0.63 0.94 0.36 1.96 -0.73 0.00 0.00 179.01 182.17 1dp0 h GLN 370 N 1.06 1.17 -0.53 1.92 7.50 -1.99 -0.66 115.11 123.57 1dp0 h GLN 370 Ca 0.23 -0.19 -0.11 0.00 0.50 0.00 0.00 58.65 59.08 1dp0 h GLN 370 Cb 0.31 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 1dp0 h GLN 370 CO -0.01 0.92 -0.10 1.15 -1.50 0.00 0.00 178.83 179.29 1dp0 h THR 371 N 1.15 1.27 -0.44 -0.54 2.02 -1.92 -0.48 112.91 113.97 1dp0 h THR 371 Ca 0.27 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1dp0 h THR 371 Cb 0.16 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1dp0 h THR 371 CO -0.03 0.44 0.25 0.24 0.37 0.00 0.00 175.52 176.80 1dp0 h MET 372 N 0.88 0.60 -0.66 6.66 2.86 -0.71 0.16 114.93 124.72 1dp0 h MET 372 Ca 0.14 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1dp0 h MET 372 Cb 0.67 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1dp0 h MET 372 CO 0.05 0.46 0.38 0.28 1.06 0.00 0.00 176.91 179.14 1dp0 h VAL 373 N 0.58 1.20 -0.65 -2.22 2.07 -1.03 0.45 116.25 116.64 1dp0 h VAL 373 Ca 0.16 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1dp0 h VAL 373 Cb 0.02 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 1dp0 h VAL 373 CO -0.03 0.21 0.39 -0.61 0.02 0.00 0.00 177.57 177.55 1dp0 h GLN 374 N 0.90 0.72 -0.06 1.57 4.15 -0.80 0.18 115.11 121.77 1dp0 h GLN 374 Ca 0.23 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1dp0 h GLN 374 Cb 0.00 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 1dp0 h GLN 374 CO -0.04 0.48 0.02 -0.44 -1.93 0.00 0.00 178.83 176.91 1dp0 h ASP 375 N 0.74 0.09 -0.62 -0.69 3.32 -0.37 -1.89 116.42 117.00 1dp0 h ASP 375 Ca 0.27 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.20 1dp0 h ASP 375 Cb 0.08 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1dp0 h ASP 375 CO -0.13 0.26 0.29 0.40 -1.72 0.00 0.00 179.24 178.34 1dp0 h ILE 376 N -0.10 0.87 -0.19 0.35 2.04 -0.56 0.18 117.51 120.10 1dp0 h ILE 376 Ca 0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1dp0 h ILE 376 Cb 0.21 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1dp0 h ILE 376 CO -0.00 0.10 0.07 -0.07 0.00 0.00 0.00 178.15 178.24 1dp0 h LEU 377 N 0.52 0.28 -1.16 1.44 3.38 -0.58 -1.55 115.31 117.64 1dp0 h LEU 377 Ca 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1dp0 h LEU 377 Cb 0.28 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1dp0 h LEU 377 CO -0.24 0.39 0.20 -0.07 0.09 0.00 0.00 178.44 178.81 1dp0 h LEU 378 N 0.15 0.72 0.32 1.67 3.38 -0.87 0.60 115.31 121.28 1dp0 h LEU 378 Ca 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1dp0 h LEU 378 Cb 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dp0 h LEU 378 CO -0.00 0.67 -0.15 0.24 0.09 0.00 0.00 178.44 179.28 1dp0 h MET 379 N 0.78 -0.41 -0.79 1.13 2.86 -0.33 -1.23 114.93 116.94 1dp0 h MET 379 Ca 0.19 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1dp0 h MET 379 Cb 0.18 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1dp0 h MET 379 CO -0.02 -0.27 0.49 0.87 1.06 0.00 0.00 176.91 179.04 1dp0 h LYS 380 N -0.44 0.89 0.00 1.72 1.57 -1.11 -0.82 116.57 118.38 1dp0 h LYS 380 Ca -0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1dp0 h LYS 380 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1dp0 h LYS 380 CO 0.07 0.59 -0.09 1.96 -0.57 0.00 0.00 179.45 181.41 1dp0 h GLN 381 N 0.92 0.00 -0.63 3.15 4.20 -0.76 -1.25 115.11 120.74 1dp0 h GLN 381 Ca 0.34 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 1dp0 h GLN 381 Cb 0.11 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.82 1dp0 h GLN 381 CO -0.15 0.09 0.15 0.09 -0.67 0.00 0.00 178.83 178.33 1dp0 n ASN 382 N -3.57 4.93 -1.63 1.46 3.02 -0.41 -4.95 115.26 114.10 1dp0 n ASN 382 Ca -0.02 -3.14 -0.16 0.00 -0.03 0.00 0.00 54.58 51.23 1dp0 n ASN 382 Cb 0.21 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.00 -4.85 -4.84 6.41 3.02 -0.47 -3.85 115.26 110.67 1dp0 n ASN 383 Ca 0.35 0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.67 1dp0 n ASN 383 Cb 1.27 -3.90 -0.06 0.00 -0.61 0.00 0.00 39.78 36.49 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 -2.73 3.61 0.00 3.10 0.40 -0.61 -4.83 117.98 116.91 1dp0 s PHE 384 Ca 0.00 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 1dp0 s PHE 384 Cb 0.00 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 41.13 1dp0 s PHE 384 CO 0.00 0.42 0.78 0.27 0.70 0.00 0.00 175.22 177.39 1dp0 n ASN 385 N 0.79 1.27 -3.56 1.36 0.23 0.08 -4.27 115.26 111.16 1dp0 n ASN 385 Ca -0.05 -1.60 -0.14 0.00 -0.53 0.00 0.00 54.58 52.26 1dp0 n ASN 385 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.60 -1.38 0.01 -2.53 0.00 -1.09 -1.15 121.76 115.02 1dp0 s ALA 386 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1dp0 s ALA 386 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 1dp0 s ALA 386 CO 0.00 -0.52 -0.02 0.54 0.00 0.00 0.00 175.76 175.76 1dp0 s VAL 387 N -2.46 0.14 -0.14 0.00 0.11 0.43 -1.89 120.40 116.59 1dp0 s VAL 387 Ca -0.05 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1dp0 s VAL 387 Cb -0.01 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1dp0 s VAL 387 CO -0.02 -0.16 -0.04 -0.60 -3.33 0.00 0.00 175.10 170.96 1dp0 s ARG 388 N -0.57 3.51 -1.19 1.54 3.52 -0.50 -1.60 118.95 123.66 1dp0 s ARG 388 Ca -0.05 -0.51 -0.17 0.00 -0.13 0.00 0.00 55.73 54.87 1dp0 s ARG 388 Cb -0.04 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 1dp0 s ARG 388 CO -0.00 0.33 2.12 0.00 -0.81 0.00 0.00 175.30 176.94 1dp0 s SER 390 N 3.90 6.66 -0.42 0.00 1.04 -1.25 -1.16 113.70 122.47 1dp0 s SER 390 Ca 0.51 1.92 0.08 0.00 0.48 0.00 0.00 55.95 58.95 1dp0 s SER 390 Cb 0.14 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.99 1dp0 s SER 390 CO -0.01 -0.97 0.57 1.41 0.98 0.00 0.00 173.24 175.22 1dp0 n HIS 391 N 7.35 0.26 -3.61 5.02 -0.00 -1.26 -4.17 115.22 118.80 1dp0 n HIS 391 Ca 0.17 -3.67 -0.02 0.00 -0.00 0.00 0.00 57.72 54.20 1dp0 n HIS 391 Cb 0.44 -0.39 -0.02 0.00 -0.00 0.00 0.00 29.99 30.03 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 -1.49 -0.06 0.41 4.41 -0.85 -0.31 -4.32 117.35 115.13 1dp0 s TYR 392 Ca 0.36 0.03 -0.26 0.00 -0.52 0.00 0.00 57.07 56.68 1dp0 s TYR 392 Cb 0.18 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 42.95 1dp0 s TYR 392 CO -0.09 -0.13 1.35 -2.14 -1.52 0.00 0.00 175.55 173.01 1dp0 s PRO 393 N -2.25 3.92 0.54 -3.49 0.02 -0.85 -4.52 135.00 128.37 1dp0 s PRO 393 Ca 0.11 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 1dp0 s PRO 393 Cb 0.01 -2.76 0.03 0.00 0.02 0.00 0.00 34.50 31.79 1dp0 s PRO 393 CO -0.04 -0.56 0.78 -0.80 -0.33 0.00 0.00 177.00 176.05 1dp0 s ASN 394 N -0.63 5.38 0.26 2.53 0.02 -1.26 -4.83 114.94 116.41 1dp0 s ASN 394 Ca 0.57 0.13 -0.29 0.00 -1.02 0.00 0.00 52.86 52.26 1dp0 s ASN 394 Cb -0.40 -1.09 -0.15 0.00 0.02 0.00 0.00 41.25 39.64 1dp0 s ASN 394 CO 0.52 -1.08 0.96 1.57 0.02 0.00 0.00 177.10 179.10 1dp0 n HIS 395 N -2.34 1.05 -0.03 2.20 -0.00 -1.26 -4.82 115.22 110.02 1dp0 n HIS 395 Ca 0.06 0.74 0.17 0.00 -0.00 0.00 0.00 57.72 58.69 1dp0 n HIS 395 Cb 0.59 -2.22 0.62 0.00 -0.00 0.00 0.00 29.99 28.99 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 2.02 0.14 0.00 1.57 0.13 -1.96 -1.72 132.00 132.18 1dp0 h PRO 396 Ca -0.38 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1dp0 h PRO 396 Cb 1.35 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1dp0 h PRO 396 CO 0.61 0.09 -0.19 1.25 -0.23 0.00 0.00 178.00 179.53 1dp0 h LEU 397 N 0.14 0.00 -0.82 1.56 5.85 -2.02 -2.86 115.31 117.16 1dp0 h LEU 397 Ca 0.26 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.09 1dp0 h LEU 397 Cb 0.84 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 1dp0 h LEU 397 CO -0.04 0.19 0.46 -0.25 -0.34 0.00 0.00 178.44 178.46 1dp0 h TRP 398 N 0.00 0.82 -0.52 1.25 2.91 -1.65 -1.29 115.95 117.47 1dp0 h TRP 398 Ca -0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 1dp0 h TRP 398 Cb 0.58 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 1dp0 h TRP 398 CO 0.00 0.30 -0.06 1.88 -1.03 0.00 0.00 178.44 179.53 1dp0 h TYR 399 N 0.74 1.02 -0.38 2.65 -1.99 -1.68 -0.38 116.97 116.96 1dp0 h TYR 399 Ca 0.41 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.99 1dp0 h TYR 399 Cb 0.43 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.87 1dp0 h TYR 399 CO -0.07 0.95 0.18 1.15 -0.00 0.00 0.00 178.16 180.36 1dp0 h THR 400 N 0.85 0.96 -0.66 -2.88 2.02 -1.44 0.02 112.91 111.78 1dp0 h THR 400 Ca 0.15 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1dp0 h THR 400 Cb 0.58 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1dp0 h THR 400 CO 0.04 0.07 0.09 -0.07 0.37 0.00 0.00 175.52 176.02 1dp0 h LEU 401 N 0.37 1.05 -0.70 2.58 3.38 -0.87 -1.76 115.31 119.36 1dp0 h LEU 401 Ca 0.16 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1dp0 h LEU 401 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1dp0 h LEU 401 CO -0.12 1.05 -0.13 0.00 0.09 0.00 0.00 178.44 179.32 1dp0 h ASP 403 N 0.77 1.10 0.36 0.00 3.32 -0.76 0.11 116.42 121.32 1dp0 h ASP 403 Ca 0.12 -0.05 -0.32 0.00 0.02 0.00 0.00 57.03 56.80 1dp0 h ASP 403 Cb 0.65 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1dp0 h ASP 403 CO 0.05 0.82 -1.74 0.03 -1.72 0.00 0.00 179.24 176.67 1dp0 h ARG 404 N 1.28 0.17 0.00 3.56 3.08 -0.93 -3.35 114.38 118.19 1dp0 h ARG 404 Ca 0.34 -0.30 -0.21 0.00 0.07 0.00 0.00 59.98 59.89 1dp0 h ARG 404 Cb -0.10 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1dp0 h ARG 404 CO -0.07 0.95 -1.22 1.88 -1.07 0.00 0.00 179.97 180.45 1dp0 h TYR 405 N 0.05 0.00 -0.81 3.04 -1.99 -0.78 -3.45 116.97 113.02 1dp0 h TYR 405 Ca -0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1dp0 h TYR 405 Cb 2.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.75 1dp0 h TYR 405 CO 0.05 0.83 0.00 0.41 -0.00 0.00 0.00 178.16 179.45 1dp0 n GLY 406 N 1.40 -0.94 3.01 3.88 0.00 -0.03 -4.80 105.19 107.72 1dp0 n GLY 406 Ca -0.07 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 1.43 0.16 0.99 1.43 -0.88 -4.69 118.68 117.12 1dp0 s LEU 407 Ca 0.00 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 1dp0 s LEU 407 Cb 0.00 0.46 -0.07 0.00 0.03 0.00 0.00 46.19 46.61 1dp0 s LEU 407 CO 0.00 -0.05 0.97 -0.31 0.23 0.00 0.00 176.35 177.19 1dp0 s TYR 408 N 0.14 3.83 -0.02 0.29 4.12 -0.30 -4.70 117.35 120.71 1dp0 s TYR 408 Ca -0.01 1.81 0.06 0.00 0.02 0.00 0.00 57.07 58.95 1dp0 s TYR 408 Cb -0.02 -3.06 -0.01 0.00 -1.52 0.00 0.00 41.96 37.35 1dp0 s TYR 408 CO -0.00 0.17 -0.20 0.08 0.02 0.00 0.00 175.55 175.62 1dp0 s VAL 409 N -0.39 1.61 -0.37 0.71 1.01 0.80 -0.43 120.40 123.34 1dp0 s VAL 409 Ca 0.45 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1dp0 s VAL 409 Cb -0.25 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1dp0 s VAL 409 CO 0.31 0.46 0.25 -0.69 0.00 0.00 0.00 175.10 175.42 1dp0 s VAL 410 N -0.39 5.02 -0.19 2.92 1.01 -0.63 -1.22 120.40 126.92 1dp0 s VAL 410 Ca 0.06 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1dp0 s VAL 410 Cb -0.09 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1dp0 s VAL 410 CO -0.00 -0.17 0.49 -0.62 0.00 0.00 0.00 175.10 174.80 1dp0 s ASP 411 N 1.65 6.56 -0.10 3.32 2.15 -0.74 -1.51 116.67 128.01 1dp0 s ASP 411 Ca 0.04 0.68 0.03 0.00 0.43 0.00 0.00 52.55 53.73 1dp0 s ASP 411 Cb -0.18 -2.28 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1dp0 s ASP 411 CO 0.09 -0.14 -0.20 -0.70 -0.17 0.00 0.00 175.17 174.05 1dp0 s GLU 412 N 1.42 2.67 0.57 4.34 2.12 -1.26 -0.23 118.70 128.33 1dp0 s GLU 412 Ca 0.24 -0.74 -0.20 0.00 0.36 0.00 0.00 54.97 54.62 1dp0 s GLU 412 Cb -0.15 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1dp0 s GLU 412 CO 0.09 0.09 1.31 0.00 -0.54 0.00 0.00 175.26 176.21 1dp0 s ALA 413 N 0.55 2.68 -1.41 6.30 0.00 -0.66 -2.02 121.76 127.20 1dp0 s ALA 413 Ca -0.15 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1dp0 s ALA 413 Cb -0.17 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.47 1dp0 s ALA 413 CO 0.05 -1.35 2.09 -1.71 0.00 0.00 0.00 175.76 174.84 1dp0 n ASN 414 N -1.29 4.17 -3.72 0.00 5.15 -1.26 -4.00 115.26 114.31 1dp0 n ASN 414 Ca 0.12 -2.86 -0.25 0.00 -0.60 0.00 0.00 54.58 50.98 1dp0 n ASN 414 Cb 0.47 -1.68 -0.17 0.00 -0.53 0.00 0.00 39.78 37.86 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 3.48 0.32 -0.12 -1.44 1.01 -1.25 -4.77 121.20 118.43 1dp0 s ILE 415 Ca 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 1dp0 s ILE 415 Cb 0.11 -0.74 0.06 0.00 0.01 0.00 0.00 42.46 41.90 1dp0 s ILE 415 CO -0.04 -0.06 0.25 -0.70 0.00 0.00 0.00 174.94 174.39 1dp0 s GLU 416 N 1.97 0.15 -0.31 2.79 2.12 0.49 -1.21 118.70 124.69 1dp0 s GLU 416 Ca 0.02 0.71 0.12 0.00 0.36 0.00 0.00 54.97 56.18 1dp0 s GLU 416 Cb -0.15 -0.06 0.47 0.00 0.26 0.00 0.00 34.13 34.65 1dp0 s GLU 416 CO -0.07 -0.27 1.14 0.25 -0.54 0.00 0.00 175.26 175.76 1dp0 n THR 417 N 5.23 2.05 -0.29 -1.70 -2.24 -1.13 -0.98 114.28 115.22 1dp0 n THR 417 Ca -0.08 -3.90 0.17 0.00 -2.27 0.00 0.00 64.05 57.97 1dp0 n THR 417 Cb 0.50 -0.37 0.44 0.00 -2.10 0.00 0.00 70.33 68.80 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 2.42 0.74 0.00 4.78 6.17 -1.53 -1.52 115.15 126.22 1dp0 h HIS 418 Ca 0.19 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.29 1dp0 h HIS 418 Cb 1.34 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 31.05 1dp0 h HIS 418 CO 0.73 0.19 0.00 0.41 0.71 0.00 0.00 177.93 179.96 1dp0 n GLY 419 N -1.45 -1.08 3.83 5.26 0.00 -1.22 -4.77 105.19 105.75 1dp0 n GLY 419 Ca 0.21 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.87 2.97 -0.15 1.61 -1.94 -0.57 -4.76 119.30 113.58 1dp0 s MET 420 Ca 0.12 0.89 -0.01 0.00 -1.71 0.00 0.00 55.69 54.98 1dp0 s MET 420 Cb 0.13 -2.00 0.04 0.00 2.01 0.00 0.00 34.83 35.01 1dp0 s MET 420 CO 0.33 -1.06 -0.03 0.08 -0.01 0.00 0.00 175.02 174.33 1dp0 s VAL 421 N -3.08 0.92 1.02 -6.03 1.01 -1.26 -3.23 120.40 109.75 1dp0 s VAL 421 Ca 0.58 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1dp0 s VAL 421 Cb -0.13 -1.13 0.21 0.00 0.00 0.00 0.00 36.38 35.32 1dp0 s VAL 421 CO 0.55 0.12 1.21 -2.16 0.00 0.00 0.00 175.10 174.81 1dp0 s PRO 422 N 1.72 0.19 0.52 2.72 0.04 -1.26 -4.83 135.00 134.09 1dp0 s PRO 422 Ca 0.01 -0.12 0.20 0.00 0.04 0.00 0.00 61.00 61.13 1dp0 s PRO 422 Cb -0.15 -1.77 1.30 0.00 0.04 0.00 0.00 34.50 33.93 1dp0 s PRO 422 CO -0.07 -2.76 2.08 1.98 0.04 0.00 0.00 177.00 178.26 1dp0 h MET 423 N -1.90 0.03 -0.67 4.56 4.05 -1.85 -2.27 114.93 116.88 1dp0 h MET 423 Ca -0.46 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1dp0 h MET 423 Cb 1.28 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1dp0 h MET 423 CO 0.43 0.02 0.00 0.27 0.23 0.00 0.00 176.91 177.86 1dp0 n ASN 424 N -4.47 4.51 -0.35 1.39 6.94 -1.25 -3.90 115.26 118.12 1dp0 n ASN 424 Ca 0.03 -2.64 0.08 0.00 -0.02 0.00 0.00 54.58 52.02 1dp0 n ASN 424 Cb 0.32 -0.62 0.25 0.00 -2.36 0.00 0.00 39.78 37.37 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 3.12 0.90 0.12 -3.83 2.43 -1.72 -1.32 114.38 114.08 1dp0 h ARG 425 Ca 0.00 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 1dp0 h ARG 425 Cb 1.56 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1dp0 h ARG 425 CO 0.34 0.60 -1.73 -0.07 -1.51 0.00 0.00 179.97 177.60 1dp0 h LEU 426 N 0.93 0.39 -0.25 3.80 3.38 -1.86 -3.35 115.31 118.35 1dp0 h LEU 426 Ca 0.50 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1dp0 h LEU 426 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1dp0 h LEU 426 CO -0.29 1.57 0.00 0.35 0.09 0.00 0.00 178.44 180.16 1dp0 n THR 427 N -3.43 0.67 0.60 0.22 -2.24 -1.03 -1.41 114.28 107.65 1dp0 n THR 427 Ca -0.23 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1dp0 n THR 427 Cb 1.05 -0.86 0.19 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.98 3.23 -4.55 3.42 2.03 -0.53 -1.53 116.55 116.64 1dp0 n ASP 428 Ca 0.04 -1.98 -0.36 0.00 0.52 0.00 0.00 54.79 53.01 1dp0 n ASP 428 Cb 0.29 -0.16 -0.11 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.68 5.50 0.58 1.67 -1.08 -0.50 -4.62 116.67 116.54 1dp0 s ASP 429 Ca 0.35 -0.05 0.35 0.00 -0.52 0.00 0.00 52.55 52.68 1dp0 s ASP 429 Cb 0.22 -1.97 1.76 0.00 -1.46 0.00 0.00 42.92 41.47 1dp0 s ASP 429 CO 0.31 0.05 2.16 1.55 0.52 0.00 0.00 175.17 179.76 1dp0 h PRO 430 N 7.58 0.00 0.00 4.34 0.13 -1.91 -0.82 132.00 141.32 1dp0 h PRO 430 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1dp0 h PRO 430 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dp0 h PRO 430 CO 0.63 0.05 0.00 0.54 -0.23 0.00 0.00 178.00 178.98 1dp0 n ARG 431 N -3.33 0.17 -0.13 0.86 1.74 -1.26 -1.73 116.66 112.98 1dp0 n ARG 431 Ca -0.02 0.45 0.10 0.00 -0.77 0.00 0.00 57.85 57.61 1dp0 n ARG 431 Cb 0.19 -1.86 0.16 0.00 -1.02 0.00 0.00 32.46 29.94 1dp0 n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1dp0 n TRP 432 N -2.19 0.34 -0.24 -1.55 7.02 -0.32 -4.49 117.44 116.02 1dp0 n TRP 432 Ca 0.02 -0.19 -0.07 0.00 -1.02 0.00 0.00 57.50 56.24 1dp0 n TRP 432 Cb 0.19 -0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.12 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 4.00 0.89 0.24 -0.99 5.85 -1.36 -1.29 115.31 122.65 1dp0 h LEU 433 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1dp0 h LEU 433 Cb 0.90 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1dp0 h LEU 433 CO 0.00 0.80 -0.12 -0.65 -0.34 0.00 0.00 178.44 178.12 1dp0 h PRO 434 N 0.92 -0.33 -0.60 5.25 0.11 -1.79 0.69 132.00 136.25 1dp0 h PRO 434 Ca 0.22 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.39 1dp0 h PRO 434 Cb 0.17 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 1dp0 h PRO 434 CO -0.02 -0.22 0.35 0.00 -0.21 0.00 0.00 178.00 177.90 1dp0 h ALA 435 N 0.42 0.78 -0.56 -0.75 0.00 -1.74 -1.62 119.26 115.78 1dp0 h ALA 435 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1dp0 h ALA 435 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1dp0 h ALA 435 CO 0.05 0.06 -0.07 0.52 0.00 0.00 0.00 179.25 179.81 1dp0 h MET 436 N 0.68 1.03 -0.77 0.00 2.86 -0.91 -3.06 114.93 114.76 1dp0 h MET 436 Ca 0.25 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1dp0 h MET 436 Cb 0.07 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 1dp0 h MET 436 CO -0.13 1.05 0.48 0.66 1.06 0.00 0.00 176.91 180.04 1dp0 h SER 437 N 0.93 0.78 0.07 1.22 4.64 0.13 -1.26 113.55 120.06 1dp0 h SER 437 Ca 0.15 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1dp0 h SER 437 Cb 0.63 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1dp0 h SER 437 CO 0.04 0.53 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.16 1dp0 h GLU 438 N 0.92 0.00 0.00 4.77 5.08 -1.29 0.30 114.58 124.37 1dp0 h GLU 438 Ca 0.32 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1dp0 h GLU 438 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1dp0 h GLU 438 CO -0.13 0.04 -0.50 0.00 -1.00 0.00 0.00 179.01 177.42 1dp0 h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -1.19 -1.93 114.38 116.67 1dp0 h ARG 439 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1dp0 h ARG 439 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1dp0 h ARG 439 CO 0.01 0.50 -1.02 0.28 -1.07 0.00 0.00 179.97 178.66 1dp0 h VAL 440 N 0.00 0.79 -0.67 2.04 2.07 -1.01 -3.34 116.25 116.14 1dp0 h VAL 440 Ca -0.00 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1dp0 h VAL 440 Cb 1.10 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1dp0 h VAL 440 CO 0.06 0.27 0.26 0.71 0.02 0.00 0.00 177.57 178.89 1dp0 h THR 441 N -1.00 1.24 0.00 2.57 1.35 -0.49 -2.49 112.91 114.09 1dp0 h THR 441 Ca -0.26 -0.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 1dp0 h THR 441 Cb 1.12 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1dp0 h THR 441 CO -0.16 0.30 -0.19 0.03 -0.25 0.00 0.00 175.52 175.26 1dp0 h ARG 442 N 0.95 0.00 -0.12 4.72 3.08 -1.55 -1.36 114.38 120.09 1dp0 h ARG 442 Ca 0.22 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 1dp0 h ARG 442 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1dp0 h ARG 442 CO -0.02 0.19 -0.28 1.98 -1.07 0.00 0.00 179.97 180.77 1dp0 h MET 443 N 0.00 0.41 -0.53 0.04 4.05 -1.57 -2.49 114.93 114.83 1dp0 h MET 443 Ca -0.00 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.13 1dp0 h MET 443 Cb 0.45 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 1dp0 h MET 443 CO 0.02 0.88 0.29 0.28 0.23 0.00 0.00 176.91 178.62 1dp0 h VAL 444 N -0.01 1.18 -0.01 -5.77 2.07 -1.28 0.51 116.25 112.95 1dp0 h VAL 444 Ca -0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1dp0 h VAL 444 Cb 0.88 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1dp0 h VAL 444 CO 0.06 0.19 -0.09 1.56 0.02 0.00 0.00 177.57 179.32 1dp0 h GLN 445 N 0.71 0.01 0.18 1.57 4.20 -1.26 -1.91 115.11 118.61 1dp0 h GLN 445 Ca 0.19 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 1dp0 h GLN 445 Cb 0.04 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.84 1dp0 h GLN 445 CO -0.03 0.10 -1.35 -0.09 -0.67 0.00 0.00 178.83 176.79 1dp0 h ARG 446 N 0.01 0.37 -0.18 1.46 2.43 -0.90 -3.04 114.38 114.53 1dp0 h ARG 446 Ca 0.00 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1dp0 h ARG 446 Cb 0.16 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1dp0 h ARG 446 CO 0.01 1.31 0.00 -0.25 -1.51 0.00 0.00 179.97 179.53 1dp0 n ASP 447 N -3.85 2.44 0.14 -3.80 8.00 0.11 -4.32 116.55 115.26 1dp0 n ASP 447 Ca -0.20 -1.72 0.11 0.00 0.71 0.00 0.00 54.79 53.69 1dp0 n ASP 447 Cb 0.97 -0.11 0.53 0.00 -0.02 0.00 0.00 41.12 42.50 1dp0 n ASP 447 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1dp0 n ARG 448 N 0.62 0.16 -0.01 -1.24 1.85 -0.73 -1.71 116.66 115.60 1dp0 n ARG 448 Ca 0.09 0.55 0.13 0.00 -1.00 0.00 0.00 57.85 57.62 1dp0 n ARG 448 Cb 0.36 -1.91 0.43 0.00 -1.05 0.00 0.00 32.46 30.29 1dp0 n ARG 448 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1dp0 n ASN 449 N -2.23 1.82 -4.65 2.89 3.02 -1.26 -4.87 115.26 109.98 1dp0 n ASN 449 Ca 0.00 -1.61 -0.41 0.00 -0.03 0.00 0.00 54.58 52.52 1dp0 n ASN 449 Cb 0.11 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.98 3.34 0.46 3.10 3.76 -0.69 -4.85 115.29 118.43 1dp0 s HIS 450 Ca 0.36 1.13 0.13 0.00 -0.15 0.00 0.00 55.06 56.52 1dp0 s HIS 450 Cb 0.21 -3.00 1.03 0.00 1.11 0.00 0.00 32.58 31.92 1dp0 s HIS 450 CO 0.32 -0.33 2.04 -1.00 -0.85 0.00 0.00 174.74 174.92 1dp0 h PRO 451 N 7.58 0.13 0.00 8.40 0.13 -1.88 -2.46 132.00 143.91 1dp0 h PRO 451 Ca -0.26 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1dp0 h PRO 451 Cb 1.11 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dp0 h PRO 451 CO 0.85 0.18 -0.11 0.66 -0.23 0.00 0.00 178.00 179.35 1dp0 h SER 452 N 0.13 0.00 -3.03 1.44 4.64 -1.87 -3.39 113.55 111.47 1dp0 h SER 452 Ca 0.03 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.78 1dp0 h SER 452 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 1dp0 h SER 452 CO 0.01 0.11 0.90 -0.69 -0.87 0.00 0.00 176.83 176.28 1dp0 s VAL 453 N -4.45 4.34 -0.07 0.95 1.01 -0.93 -0.14 120.40 121.11 1dp0 s VAL 453 Ca -0.04 1.59 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1dp0 s VAL 453 Cb 0.14 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1dp0 s VAL 453 CO 0.61 -0.25 0.17 2.30 0.00 0.00 0.00 175.10 177.93 1dp0 n ILE 454 N 5.61 0.00 -3.83 2.22 -5.35 -0.36 -4.91 119.36 112.73 1dp0 n ILE 454 Ca 0.14 -0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 1dp0 n ILE 454 Cb 0.46 0.49 -0.12 0.00 -1.74 0.00 0.00 39.64 38.72 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 -2.27 0.01 0.02 7.28 1.01 -1.19 -3.92 121.20 122.14 1dp0 s ILE 455 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1dp0 s ILE 455 Cb 0.04 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 1dp0 s ILE 455 CO 0.27 -0.03 0.22 0.26 0.00 0.00 0.00 174.94 175.66 1dp0 s TRP 456 N -0.04 3.54 -0.03 3.97 0.52 -0.52 -1.78 118.94 124.60 1dp0 s TRP 456 Ca -0.01 0.39 0.05 0.00 0.02 0.00 0.00 56.10 56.55 1dp0 s TRP 456 Cb -0.01 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 1dp0 s TRP 456 CO 0.00 0.61 -0.18 0.45 0.02 0.00 0.00 176.95 177.85 1dp0 s SER 457 N -2.08 2.13 0.00 2.95 0.15 0.68 0.03 113.70 117.56 1dp0 s SER 457 Ca 0.30 -0.34 0.13 0.00 0.70 0.00 0.00 55.95 56.74 1dp0 s SER 457 Cb -0.13 -0.39 0.75 0.00 -1.71 0.00 0.00 66.02 64.54 1dp0 s SER 457 CO 0.21 0.19 1.36 0.18 1.20 0.00 0.00 173.24 176.38 1dp0 n LEU 458 N 2.85 0.00 0.00 3.45 4.77 -0.76 -1.65 117.00 125.66 1dp0 n LEU 458 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1dp0 n LEU 458 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1dp0 n LEU 458 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1dp0 n GLY 459 N 0.50 0.31 3.39 -0.72 0.00 -1.26 -4.64 105.19 102.78 1dp0 n GLY 459 Ca 0.09 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.46 -1.15 1.61 2.47 -0.35 -4.74 114.94 108.31 1dp0 s ASN 460 Ca 0.00 0.62 -0.34 0.00 0.42 0.00 0.00 52.86 53.56 1dp0 s ASN 460 Cb 0.00 0.64 0.05 0.00 -1.45 0.00 0.00 41.25 40.49 1dp0 s ASN 460 CO 0.00 -0.41 0.64 -0.62 -3.72 0.00 0.00 177.10 172.98 1dp0 n GLU 461 N 1.66 -0.24 -0.80 0.43 1.02 -1.26 -4.10 120.64 117.35 1dp0 n GLU 461 Ca -0.18 0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.03 1dp0 n GLU 461 Cb 0.56 -2.25 0.10 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.95 1.28 0.00 1.62 7.64 -1.26 -1.52 113.62 119.42 1dp0 n SER 462 Ca -0.11 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1dp0 n SER 462 Cb 0.53 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.43 0.61 2.88 0.23 0.00 -1.25 -3.93 105.19 103.30 1dp0 n GLY 463 Ca 0.11 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 1.31 0.31 1.61 2.46 -1.26 -3.52 115.29 116.20 1dp0 s HIS 464 Ca 0.00 -0.62 0.05 0.00 0.47 0.00 0.00 55.06 54.96 1dp0 s HIS 464 Cb 0.00 -1.14 -0.06 0.00 -0.13 0.00 0.00 32.58 31.25 1dp0 s HIS 464 CO 0.00 -0.47 -0.00 0.20 -2.47 0.00 0.00 174.74 171.99 1dp0 s GLY 465 N 1.76 1.97 0.57 1.59 0.00 -1.26 -4.84 107.32 107.10 1dp0 s GLY 465 Ca 0.05 -1.99 0.31 0.00 0.00 0.00 0.00 44.72 43.08 1dp0 s GLY 465 CO -0.08 -1.85 2.17 0.00 0.00 0.00 0.00 173.10 173.35 1dp0 h ALA 466 N 2.18 1.32 -0.25 3.20 0.00 -1.81 -0.60 119.26 123.31 1dp0 h ALA 466 Ca -0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1dp0 h ALA 466 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1dp0 h ALA 466 CO 0.69 0.07 0.01 -0.91 0.00 0.00 0.00 179.25 179.12 1dp0 h ASN 467 N 0.00 0.33 -0.60 0.00 2.35 -1.59 -1.13 115.58 114.93 1dp0 h ASN 467 Ca -0.00 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1dp0 h ASN 467 Cb 0.19 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1dp0 h ASN 467 CO 0.01 0.38 0.13 0.45 -1.65 0.00 0.00 177.43 176.75 1dp0 h HIS 468 N 0.35 1.03 -0.69 1.19 3.86 -1.27 -1.48 115.15 118.13 1dp0 h HIS 468 Ca 0.08 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 1dp0 h HIS 468 Cb 0.22 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 1dp0 h HIS 468 CO 0.01 0.87 0.18 -0.44 0.86 0.00 0.00 177.93 179.40 1dp0 h ASP 469 N 0.88 1.04 -0.43 2.45 3.32 -1.26 0.23 116.42 122.64 1dp0 h ASP 469 Ca 0.19 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1dp0 h ASP 469 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1dp0 h ASP 469 CO 0.00 1.00 0.22 0.00 -1.72 0.00 0.00 179.24 178.74 1dp0 h ALA 470 N 1.08 0.56 -0.02 3.45 0.00 -1.06 -2.17 119.26 121.09 1dp0 h ALA 470 Ca 0.22 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1dp0 h ALA 470 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dp0 h ALA 470 CO 0.00 0.10 -0.79 -0.07 0.00 0.00 0.00 179.25 178.49 1dp0 h LEU 471 N 0.56 0.28 -0.46 0.00 3.38 -0.98 -1.20 115.31 116.89 1dp0 h LEU 471 Ca 0.15 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1dp0 h LEU 471 Cb 0.09 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1dp0 h LEU 471 CO -0.02 0.96 0.24 0.22 0.09 0.00 0.00 178.44 179.93 1dp0 h TYR 472 N 0.14 0.44 -0.01 1.13 3.20 -0.40 -1.43 116.97 120.05 1dp0 h TYR 472 Ca -0.03 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1dp0 h TYR 472 Cb 1.37 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 1dp0 h TYR 472 CO 0.03 0.23 -0.55 -0.09 -1.64 0.00 0.00 178.16 176.14 1dp0 h ARG 473 N 0.48 0.04 -0.24 1.82 9.65 -1.12 -1.78 114.38 123.23 1dp0 h ARG 473 Ca 0.20 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1dp0 h ARG 473 Cb 0.09 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1dp0 h ARG 473 CO -0.13 0.58 0.10 2.35 2.80 0.00 0.00 179.97 185.67 1dp0 h TRP 474 N 0.03 0.17 0.06 2.20 7.01 -0.77 0.33 115.95 124.99 1dp0 h TRP 474 Ca -0.00 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1dp0 h TRP 474 Cb 0.99 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.00 1dp0 h TRP 474 CO 0.00 0.09 -0.03 0.82 -2.79 0.00 0.00 178.44 176.53 1dp0 h ILE 475 N 0.22 0.99 -0.34 2.65 2.04 -0.87 0.01 117.51 122.20 1dp0 h ILE 475 Ca 0.10 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1dp0 h ILE 475 Cb 0.06 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1dp0 h ILE 475 CO -0.10 0.04 0.24 0.11 0.00 0.00 0.00 178.15 178.44 1dp0 h LYS 476 N -0.14 0.03 0.15 2.37 1.79 -1.09 0.75 116.57 120.43 1dp0 h LYS 476 Ca -0.01 -0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.18 1dp0 h LYS 476 Cb 0.12 -0.01 0.03 0.00 -1.58 0.00 0.00 32.23 30.79 1dp0 h LYS 476 CO 0.01 0.02 -1.17 1.03 -1.08 0.00 0.00 179.45 178.26 1dp0 h SER 477 N 0.03 0.77 1.12 0.86 0.87 -0.02 -3.32 113.55 113.86 1dp0 h SER 477 Ca 0.16 -0.87 -0.16 0.00 -1.23 0.00 0.00 61.79 59.70 1dp0 h SER 477 Cb 0.60 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1dp0 h SER 477 CO -0.01 1.57 -0.92 -0.37 -0.53 0.00 0.00 176.83 176.57 1dp0 h VAL 478 N 0.09 0.95 -2.55 2.23 -1.51 -0.41 -3.41 116.25 111.64 1dp0 h VAL 478 Ca -0.19 -2.45 -0.59 0.00 -1.23 0.00 0.00 66.70 62.24 1dp0 h VAL 478 Cb 1.88 2.41 -0.39 0.00 -2.13 0.00 0.00 31.29 33.07 1dp0 h VAL 478 CO 0.22 0.54 -0.88 -0.62 -1.23 0.00 0.00 177.57 175.61 1dp0 s ASP 479 N -6.31 2.49 0.00 4.19 2.15 0.20 -4.95 116.67 114.44 1dp0 s ASP 479 Ca 0.01 -2.62 0.20 0.00 0.43 0.00 0.00 52.55 50.57 1dp0 s ASP 479 Cb 0.08 -0.51 1.02 0.00 -0.30 0.00 0.00 42.92 43.21 1dp0 s ASP 479 CO 0.78 -0.24 1.62 -0.81 -0.17 0.00 0.00 175.17 176.35 1dp0 n PRO 480 N 3.46 0.32 0.00 4.34 -0.04 -1.25 -3.52 135.00 138.32 1dp0 n PRO 480 Ca 0.19 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1dp0 n PRO 480 Cb 0.41 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.84 1dp0 n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dp0 n SER 481 N -1.26 0.00 -3.93 3.54 3.41 -1.26 -4.76 113.62 109.37 1dp0 n SER 481 Ca 0.10 0.47 -0.17 0.00 -0.26 0.00 0.00 58.87 59.01 1dp0 n SER 481 Cb 0.15 -0.49 -0.15 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.98 0.48 0.90 4.33 0.52 -1.23 -4.24 118.95 116.73 1dp0 s ARG 482 Ca 0.11 -0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 1dp0 s ARG 482 Cb 0.14 -0.50 0.13 0.00 0.52 0.00 0.00 34.95 35.25 1dp0 s ARG 482 CO 0.40 0.04 1.12 -2.14 0.02 0.00 0.00 175.30 174.74 1dp0 s PRO 483 N 0.23 1.18 -0.10 3.54 0.02 -1.25 -4.76 135.00 133.86 1dp0 s PRO 483 Ca -0.02 1.32 0.02 0.00 0.02 0.00 0.00 61.00 62.33 1dp0 s PRO 483 Cb -0.06 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 1dp0 s PRO 483 CO -0.00 -2.44 -0.16 0.08 -0.33 0.00 0.00 177.00 174.14 1dp0 s VAL 484 N -2.72 2.79 0.25 3.83 1.01 -1.26 -1.44 120.40 122.85 1dp0 s VAL 484 Ca 0.65 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1dp0 s VAL 484 Cb -0.21 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1dp0 s VAL 484 CO 0.58 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 176.15 1dp0 s GLN 485 N 0.12 1.45 -0.29 2.72 -2.07 0.10 -0.27 119.66 121.42 1dp0 s GLN 485 Ca -0.08 -1.71 -0.16 0.00 -1.82 0.00 0.00 55.36 51.59 1dp0 s GLN 485 Cb -0.15 -1.06 0.15 0.00 -1.09 0.00 0.00 33.01 30.86 1dp0 s GLN 485 CO 0.05 0.06 0.99 -0.47 -1.32 0.00 0.00 175.29 174.61 1dp0 s TYR 486 N -3.06 -0.55 -0.27 9.60 5.04 -1.26 -1.83 117.35 125.03 1dp0 s TYR 486 Ca 0.27 1.08 0.23 0.00 -2.44 0.00 0.00 57.07 56.21 1dp0 s TYR 486 Cb 0.03 0.33 0.03 0.00 0.35 0.00 0.00 41.96 42.69 1dp0 s TYR 486 CO 0.10 -0.27 1.08 1.49 -1.34 0.00 0.00 175.55 176.60 1dp0 h GLU 487 N 6.09 0.00 -7.09 4.97 4.22 -1.85 -3.42 114.58 117.50 1dp0 h GLU 487 Ca -0.27 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.61 1dp0 h GLU 487 Cb 1.19 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.60 1dp0 h GLU 487 CO 0.19 0.00 0.48 0.41 -2.18 0.00 0.00 179.01 177.91 1dp0 n GLY 488 N 1.19 0.48 2.07 1.92 0.00 -1.26 -0.67 105.19 108.91 1dp0 n GLY 488 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 0.95 0.54 0.00 -0.02 0.00 -1.23 -3.92 105.19 101.50 1dp0 n GLY 489 Ca 0.16 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.72 0.93 3.61 -0.02 0.00 -1.22 -4.74 105.19 101.04 1dp0 n GLY 490 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.75 0.00 -2.54 4.61 0.00 0.15 -4.70 120.51 117.28 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 -0.37 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 0.00 1.08 -3.45 0.00 5.68 -1.26 -1.93 116.55 116.66 1dp0 n ASP 492 Ca 0.00 -2.01 -0.24 0.00 -0.50 0.00 0.00 54.79 52.04 1dp0 n ASP 492 Cb 0.00 -0.32 0.19 0.00 -1.14 0.00 0.00 41.12 39.85 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 0.35 0.00 1.65 2.12 -2.24 -1.26 -4.91 114.28 109.99 1dp0 n THR 493 Ca 0.06 -0.56 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1dp0 n THR 493 Cb 1.10 -1.36 0.64 0.00 -2.10 0.00 0.00 70.33 68.62 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 -4.07 0.00 -0.88 4.28 -2.24 -1.26 -2.66 114.28 107.45 1dp0 n THR 494 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1dp0 n THR 494 Cb 0.48 -0.50 0.33 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.91 3.36 -3.26 6.98 0.00 -1.26 -4.95 120.51 120.47 1dp0 n ALA 495 Ca 0.16 -2.01 -0.13 0.00 0.00 0.00 0.00 53.44 51.46 1dp0 n ALA 495 Cb 0.07 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.60 -0.02 -0.97 0.00 -1.32 -1.09 -4.10 115.64 105.54 1dp0 s THR 496 Ca 0.48 0.08 0.26 0.00 -1.21 0.00 0.00 61.69 61.31 1dp0 s THR 496 Cb 0.36 -0.10 0.09 0.00 -1.51 0.00 0.00 72.50 71.35 1dp0 s THR 496 CO 0.14 0.03 1.59 0.47 -2.21 0.00 0.00 174.62 174.65 1dp0 n ASP 497 N 3.52 0.35 -4.09 8.08 8.00 0.62 -4.83 116.55 128.21 1dp0 n ASP 497 Ca -0.18 0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.13 1dp0 n ASP 497 Cb 0.56 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.47 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 -3.01 1.15 -0.21 0.53 1.01 -1.26 -4.52 121.20 114.89 1dp0 s ILE 498 Ca 0.12 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 1dp0 s ILE 498 Cb 0.18 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1dp0 s ILE 498 CO 0.64 0.34 1.37 -0.63 0.00 0.00 0.00 174.94 176.66 1dp0 s ILE 499 N -0.02 4.07 -0.46 2.92 1.01 0.02 -4.69 121.20 124.06 1dp0 s ILE 499 Ca -0.01 1.26 0.09 0.00 0.00 0.00 0.00 60.65 61.99 1dp0 s ILE 499 Cb -0.09 -3.95 0.31 0.00 0.01 0.00 0.00 42.46 38.74 1dp0 s ILE 499 CO 0.01 -0.26 0.72 0.00 0.00 0.00 0.00 174.94 175.41 1dp0 s PRO 501 N -2.33 1.44 -0.18 0.00 0.04 -1.26 -3.51 135.00 129.19 1dp0 s PRO 501 Ca 0.41 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 1dp0 s PRO 501 Cb 0.26 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1dp0 s PRO 501 CO -0.09 -2.11 -0.14 0.00 0.04 0.00 0.00 177.00 174.70 1dp0 s MET 502 N -4.97 3.19 -1.28 4.56 0.23 -1.26 -1.13 119.30 118.65 1dp0 s MET 502 Ca 0.63 -0.74 0.00 0.00 -1.03 0.00 0.00 55.69 54.55 1dp0 s MET 502 Cb -0.17 -2.70 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 1dp0 s MET 502 CO 0.56 -0.10 0.00 0.66 -2.03 0.00 0.00 175.02 174.11 1dp0 n TYR 503 N 4.41 -0.23 -2.48 3.16 4.02 -0.19 -4.97 117.16 120.88 1dp0 n TYR 503 Ca -0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.30 1dp0 n TYR 503 Cb 0.51 -2.53 -0.04 0.00 -0.02 0.00 0.00 39.34 37.26 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 -2.54 3.32 0.70 -0.72 0.00 -1.26 -4.86 121.76 116.39 1dp0 s ALA 504 Ca 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1dp0 s ALA 504 Cb 0.00 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1dp0 s ALA 504 CO 0.00 -0.20 1.00 1.03 0.00 0.00 0.00 175.76 177.59 1dp0 s ARG 505 N -1.73 2.14 -0.09 0.00 0.52 -1.26 -4.79 118.95 113.74 1dp0 s ARG 505 Ca 0.48 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.04 1dp0 s ARG 505 Cb -0.30 -2.20 -0.24 0.00 0.52 0.00 0.00 34.95 32.73 1dp0 s ARG 505 CO 0.38 -1.24 0.94 0.28 0.02 0.00 0.00 175.30 175.68 1dp0 h VAL 506 N -0.56 1.64 0.00 3.52 2.07 -1.94 -1.19 116.25 119.79 1dp0 h VAL 506 Ca -0.44 -2.00 -0.03 0.00 0.82 0.00 0.00 66.70 65.05 1dp0 h VAL 506 Cb 1.31 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1dp0 h VAL 506 CO 0.57 0.53 -1.34 0.47 0.02 0.00 0.00 177.57 177.82 1dp0 n ASP 507 N -4.62 3.43 -4.71 0.57 8.00 -1.26 -3.34 116.55 114.62 1dp0 n ASP 507 Ca -0.10 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.03 1dp0 n ASP 507 Cb 0.45 1.17 -0.07 0.00 -0.02 0.00 0.00 41.12 42.64 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 -2.40 4.24 0.41 -1.24 2.12 -1.26 -4.73 118.70 115.83 1dp0 s GLU 508 Ca -0.03 0.13 -0.23 0.00 0.36 0.00 0.00 54.97 55.21 1dp0 s GLU 508 Cb 0.04 -3.46 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 1dp0 s GLU 508 CO 0.28 0.15 0.99 -0.51 -0.54 0.00 0.00 175.26 175.63 1dp0 s ASP 509 N 0.66 6.87 -0.47 -1.70 1.01 -1.26 -3.82 116.67 117.96 1dp0 s ASP 509 Ca 0.17 1.85 0.03 0.00 0.71 0.00 0.00 52.55 55.31 1dp0 s ASP 509 Cb -0.14 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.38 1dp0 s ASP 509 CO 0.05 -0.41 0.30 -1.10 0.21 0.00 0.00 175.17 174.23 1dp0 s GLN 510 N -2.78 1.33 -1.00 8.23 -0.21 -0.46 -4.91 119.66 119.85 1dp0 s GLN 510 Ca 0.59 -2.19 -0.08 0.00 0.02 0.00 0.00 55.36 53.70 1dp0 s GLN 510 Cb -0.15 -2.21 -0.12 0.00 1.00 0.00 0.00 33.01 31.53 1dp0 s GLN 510 CO 0.20 -1.24 2.82 -0.35 -2.12 0.00 0.00 175.29 174.60 1dp0 n PRO 511 N 3.16 2.75 -1.87 2.91 -0.04 -1.26 -0.56 135.00 140.10 1dp0 n PRO 511 Ca 0.16 -1.64 -0.38 0.00 -0.04 0.00 0.00 63.50 61.60 1dp0 n PRO 511 Cb 0.38 -2.47 0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1dp0 n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1dp0 s PHE 512 N 2.22 2.38 0.45 0.54 2.99 -1.26 -4.83 117.98 120.47 1dp0 s PHE 512 Ca 0.59 1.41 -0.25 0.00 0.00 0.00 0.00 56.93 58.68 1dp0 s PHE 512 Cb 0.19 -3.72 -0.08 0.00 0.00 0.00 0.00 43.02 39.41 1dp0 s PHE 512 CO -0.04 -2.66 1.36 -2.14 -0.00 0.00 0.00 175.22 171.75 1dp0 s PRO 513 N -2.90 3.68 0.00 0.24 0.02 -1.26 -2.19 135.00 132.59 1dp0 s PRO 513 Ca 0.71 2.27 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1dp0 s PRO 513 Cb -0.38 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1dp0 s PRO 513 CO 0.45 -0.77 0.00 0.00 -0.33 0.00 0.00 177.00 176.35 1dp0 n ALA 514 N -0.26 0.00 -3.02 -1.55 0.00 -1.26 -4.53 120.51 109.89 1dp0 n ALA 514 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1dp0 n ALA 514 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 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 1.20 -1.49 0.00 0.24 -1.21 -4.82 118.33 112.25 1dp0 n VAL 515 Ca 0.00 -4.83 -0.35 0.00 -2.04 0.00 0.00 64.34 57.12 1dp0 n VAL 515 Cb 0.00 -0.64 0.09 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.92 2.17 -0.55 7.34 0.04 -0.93 -4.60 135.00 135.55 1dp0 s PRO 516 Ca 0.42 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1dp0 s PRO 516 Cb 0.34 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 33.21 1dp0 s PRO 516 CO -0.10 -1.85 0.40 0.15 0.04 0.00 0.00 177.00 175.64 1dp0 s LYS 517 N -3.69 2.54 0.68 4.56 1.02 0.28 -4.87 119.74 120.26 1dp0 s LYS 517 Ca 0.79 -2.13 -0.13 0.00 0.02 0.00 0.00 55.97 54.51 1dp0 s LYS 517 Cb -0.34 -3.85 0.01 0.00 -0.52 0.00 0.00 37.83 33.13 1dp0 s LYS 517 CO 0.44 -1.17 1.08 -1.58 -0.92 0.00 0.00 175.35 173.20 1dp0 s TRP 518 N 0.67 2.81 0.35 3.18 0.52 -1.26 -1.36 118.94 123.84 1dp0 s TRP 518 Ca 0.12 1.51 -0.26 0.00 0.02 0.00 0.00 56.10 57.49 1dp0 s TRP 518 Cb -0.22 -3.04 -0.13 0.00 -1.15 0.00 0.00 33.47 28.94 1dp0 s TRP 518 CO -0.03 -1.47 0.99 0.45 0.02 0.00 0.00 176.95 176.91 1dp0 n SER 519 N -2.74 1.21 0.09 2.95 2.88 -1.25 -4.40 113.62 112.36 1dp0 n SER 519 Ca 0.09 1.11 0.01 0.00 -1.33 0.00 0.00 58.87 58.75 1dp0 n SER 519 Cb 0.53 -1.31 0.35 0.00 -0.75 0.00 0.00 64.21 63.02 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 1.77 1.20 -0.44 2.46 3.07 -1.21 0.72 117.51 125.08 1dp0 h ILE 520 Ca -0.42 -0.89 -0.09 0.00 1.55 0.00 0.00 64.86 65.01 1dp0 h ILE 520 Cb 1.34 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.10 1dp0 h ILE 520 CO 0.59 0.28 -0.09 0.11 -1.05 0.00 0.00 178.15 177.99 1dp0 h LYS 521 N 0.28 0.84 -0.06 0.16 1.57 -1.84 -2.97 116.57 114.55 1dp0 h LYS 521 Ca 0.05 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.36 1dp0 h LYS 521 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1dp0 h LYS 521 CO 0.03 0.94 -0.67 -0.22 -0.57 0.00 0.00 179.45 178.96 1dp0 h LYS 522 N 0.68 0.26 -0.90 3.15 3.64 -1.68 -3.27 116.57 118.45 1dp0 h LYS 522 Ca 0.11 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1dp0 h LYS 522 Cb 0.62 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1dp0 h LYS 522 CO 0.04 0.84 0.59 2.35 -2.27 0.00 0.00 179.45 181.00 1dp0 h TRP 523 N 0.18 1.12 -0.75 1.91 2.91 -0.73 -2.12 115.95 118.47 1dp0 h TRP 523 Ca -0.02 0.03 0.16 0.00 1.13 0.00 0.00 58.89 60.19 1dp0 h TRP 523 Cb 1.21 -0.38 -0.05 0.00 -0.51 0.00 0.00 29.16 29.44 1dp0 h TRP 523 CO 0.03 0.68 0.51 -0.07 -1.03 0.00 0.00 178.44 178.55 1dp0 h LEU 524 N 1.19 0.34 -2.81 0.65 3.38 -1.57 -2.37 115.31 114.10 1dp0 h LEU 524 Ca 0.34 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1dp0 h LEU 524 Cb -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1dp0 h LEU 524 CO -0.09 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 1dp0 n SER 525 N -4.46 3.84 -4.63 -0.43 3.41 -0.81 -4.55 113.62 105.98 1dp0 n SER 525 Ca 0.15 -2.04 -0.35 0.00 -0.26 0.00 0.00 58.87 56.36 1dp0 n SER 525 Cb 0.57 -0.45 0.09 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.40 3.85 -4.62 1.04 4.77 -0.90 -4.75 117.00 117.79 1dp0 n LEU 526 Ca 0.22 0.67 -0.52 0.00 -0.03 0.00 0.00 56.01 56.35 1dp0 n LEU 526 Cb 0.61 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1dp0 n LEU 526 CO 0.16 -1.90 1.02 -2.65 -1.33 0.00 0.00 177.39 172.69 1dp0 n PRO 527 N -2.05 1.28 -0.03 3.23 -0.02 -1.26 -0.71 135.00 135.45 1dp0 n PRO 527 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1dp0 n PRO 527 Cb 0.49 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.95 2.88 3.74 -1.23 0.00 -1.26 -5.01 105.19 107.25 1dp0 n GLY 528 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.00 4.71 0.00 1.61 2.56 0.11 -4.95 118.70 122.74 1dp0 s GLU 529 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 54.97 56.51 1dp0 s GLU 529 Cb 0.00 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1dp0 s GLU 529 CO 0.00 0.25 0.06 0.25 -0.56 0.00 0.00 175.26 175.26 1dp0 n THR 530 N 2.31 0.00 -2.00 -1.70 -2.24 -1.26 -4.78 114.28 104.61 1dp0 n THR 530 Ca 0.01 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1dp0 n THR 530 Cb 0.48 1.61 0.05 0.00 -2.10 0.00 0.00 70.33 70.37 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 -0.05 2.71 0.69 -0.78 0.52 -1.26 -4.14 118.95 116.64 1dp0 s ARG 531 Ca 0.00 0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 55.39 1dp0 s ARG 531 Cb 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1dp0 s ARG 531 CO 0.00 -1.06 1.06 -1.25 0.02 0.00 0.00 175.30 174.06 1dp0 s PRO 532 N -5.32 3.02 -0.12 3.54 0.04 -0.99 -4.80 135.00 130.36 1dp0 s PRO 532 Ca 0.58 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1dp0 s PRO 532 Cb -0.11 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1dp0 s PRO 532 CO 0.50 -1.03 -0.15 -1.17 0.04 0.00 0.00 177.00 175.18 1dp0 s LEU 533 N -5.49 1.74 -0.07 -3.56 0.20 -0.22 -0.80 118.68 110.49 1dp0 s LEU 533 Ca 0.58 -0.46 -0.02 0.00 0.69 0.00 0.00 54.13 54.92 1dp0 s LEU 533 Cb -0.14 -1.15 0.03 0.00 -0.43 0.00 0.00 46.19 44.51 1dp0 s LEU 533 CO 0.55 -0.00 0.03 -0.63 -0.29 0.00 0.00 176.35 176.00 1dp0 s ILE 534 N 1.13 0.20 0.17 6.68 1.01 -0.43 -1.60 121.20 128.36 1dp0 s ILE 534 Ca -0.03 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 1dp0 s ILE 534 Cb -0.14 -0.42 -0.08 0.00 0.01 0.00 0.00 42.46 41.83 1dp0 s ILE 534 CO -0.04 0.20 1.33 -0.76 0.00 0.00 0.00 174.94 175.67 1dp0 s LEU 535 N 2.04 4.40 0.43 2.97 1.02 -0.48 -4.18 118.68 124.89 1dp0 s LEU 535 Ca 0.05 2.36 0.24 0.00 0.02 0.00 0.00 54.13 56.80 1dp0 s LEU 535 Cb -0.12 -3.60 0.64 0.00 0.02 0.00 0.00 46.19 43.13 1dp0 s LEU 535 CO -0.05 -0.56 1.71 0.00 0.02 0.00 0.00 176.35 177.47 1dp0 s GLU 537 N -3.36 0.42 0.27 0.00 2.02 -1.23 -4.26 118.70 112.55 1dp0 s GLU 537 Ca 0.04 0.64 -0.20 0.00 0.02 0.00 0.00 54.97 55.46 1dp0 s GLU 537 Cb 0.08 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.43 1dp0 s GLU 537 CO 0.65 -0.10 0.69 1.52 0.02 0.00 0.00 175.26 178.04 1dp0 s TYR 538 N 0.74 -0.17 -0.85 1.61 -0.85 -0.79 -1.02 117.35 116.02 1dp0 s TYR 538 Ca -0.04 -0.26 -0.04 0.00 -0.52 0.00 0.00 57.07 56.21 1dp0 s TYR 538 Cb -0.05 0.65 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 1dp0 s TYR 538 CO -0.05 -1.19 0.71 0.00 -1.52 0.00 0.00 175.55 173.51 1dp0 n ALA 539 N -0.45 -2.58 -1.75 9.51 0.00 -1.26 -0.77 120.51 123.22 1dp0 n ALA 539 Ca -0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1dp0 n ALA 539 Cb 0.60 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -3.10 1.38 -0.27 0.00 2.46 -0.61 -3.82 115.29 111.33 1dp0 s HIS 540 Ca 0.11 0.74 -0.03 0.00 0.47 0.00 0.00 55.06 56.35 1dp0 s HIS 540 Cb -0.03 -3.95 0.01 0.00 -0.13 0.00 0.00 32.58 28.48 1dp0 s HIS 540 CO 0.80 -3.39 2.75 0.00 -2.47 0.00 0.00 174.74 172.43 1dp0 n ALA 541 N 11.96 5.93 -2.61 1.58 0.00 0.17 -4.38 120.51 133.17 1dp0 n ALA 541 Ca 0.28 -2.19 -0.43 0.00 0.00 0.00 0.00 53.44 51.11 1dp0 n ALA 541 Cb 0.47 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.93 3.86 4.16 0.00 0.00 -1.26 -3.59 119.30 121.53 1dp0 s MET 542 Ca 0.50 0.73 0.00 0.00 0.00 0.00 0.00 55.69 56.92 1dp0 s MET 542 Cb 0.30 -3.83 0.00 0.00 0.00 0.00 0.00 34.83 31.30 1dp0 s MET 542 CO -0.10 -1.14 0.00 0.41 0.00 0.00 0.00 175.02 174.19 1dp0 n GLY 543 N 4.43 0.89 3.54 2.11 0.00 -1.26 -4.27 105.19 110.63 1dp0 n GLY 543 Ca 0.11 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 6.30 0.00 1.61 3.84 -1.26 -4.88 114.94 116.55 1dp0 s ASN 544 Ca 0.00 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 52.13 1dp0 s ASN 544 Cb 0.00 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1dp0 s ASN 544 CO 0.00 -1.64 0.00 -0.24 -2.79 0.00 0.00 177.10 172.43 1dp0 n SER 545 N 8.84 0.00 0.00 -4.21 2.88 -1.26 -4.74 113.62 115.14 1dp0 n SER 545 Ca 0.13 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1dp0 n SER 545 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -4.71 2.46 4.32 -1.21 -4.77 117.00 113.09 1dp0 n LEU 546 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1dp0 n LEU 546 Cb 0.00 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.38 1dp0 n LEU 546 CO 0.00 0.00 1.28 -0.83 -1.22 0.00 0.00 177.39 176.62 1dp0 s GLY 547 N -2.13 1.52 0.00 -0.72 0.00 -0.15 -2.11 107.32 103.73 1dp0 s GLY 547 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.08 1dp0 s GLY 547 CO 0.00 2.74 0.00 0.61 0.00 0.00 0.00 173.10 176.45 1dp0 n GLY 548 N 3.85 0.60 0.34 0.20 0.00 0.28 -4.05 105.19 106.42 1dp0 n GLY 548 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.95 0.00 1.61 3.57 -1.60 -1.22 116.94 120.26 1dp0 h PHE 549 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1dp0 h PHE 549 Cb 0.00 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 1dp0 h PHE 549 CO 0.00 0.65 -0.10 0.00 -2.23 0.00 0.00 178.31 176.63 1dp0 h ALA 550 N 1.46 1.16 -0.35 2.41 0.00 -1.85 -1.89 119.26 120.20 1dp0 h ALA 550 Ca 0.26 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1dp0 h ALA 550 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dp0 h ALA 550 CO -0.05 0.13 -0.21 -0.22 0.00 0.00 0.00 179.25 178.90 1dp0 h LYS 551 N 0.00 0.68 -0.43 0.00 3.64 -1.61 -0.59 116.57 118.26 1dp0 h LYS 551 Ca -0.00 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 1dp0 h LYS 551 Cb 0.39 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1dp0 h LYS 551 CO 0.01 0.84 0.02 1.88 -2.27 0.00 0.00 179.45 179.94 1dp0 h TYR 552 N 0.60 0.81 -0.35 1.91 -1.99 -1.35 -2.82 116.97 113.78 1dp0 h TYR 552 Ca 0.09 -0.13 -0.10 0.00 2.00 0.00 0.00 58.73 60.59 1dp0 h TYR 552 Cb 0.69 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1dp0 h TYR 552 CO 0.03 0.79 -0.20 -1.49 -0.00 0.00 0.00 178.16 177.30 1dp0 h TRP 553 N 0.59 0.74 -0.79 4.88 4.06 -1.42 0.13 115.95 124.14 1dp0 h TRP 553 Ca 0.12 -0.15 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1dp0 h TRP 553 Cb 0.46 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.40 1dp0 h TRP 553 CO 0.03 0.81 0.33 0.37 -3.56 0.00 0.00 178.44 176.42 1dp0 h GLN 554 N 0.59 1.17 -0.20 0.49 -0.00 -1.08 -1.58 115.11 114.49 1dp0 h GLN 554 Ca 0.09 -0.20 -0.14 0.00 -0.00 0.00 0.00 58.65 58.40 1dp0 h GLN 554 Cb 0.66 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.94 1dp0 h GLN 554 CO 0.05 0.94 -0.41 0.00 0.00 0.00 0.00 178.83 179.41 1dp0 h ALA 555 N 1.21 0.32 -0.83 3.38 0.00 -1.11 -1.58 119.26 120.65 1dp0 h ALA 555 Ca 0.27 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1dp0 h ALA 555 Cb 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1dp0 h ALA 555 CO -0.02 0.43 0.54 0.74 0.00 0.00 0.00 179.25 180.94 1dp0 h PHE 556 N 0.32 0.98 0.00 0.00 0.05 -0.60 -0.49 116.94 117.20 1dp0 h PHE 556 Ca 0.01 0.02 -0.18 0.00 3.82 0.00 0.00 57.97 61.65 1dp0 h PHE 556 Cb 1.01 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.61 1dp0 h PHE 556 CO 0.09 0.56 -0.83 0.00 -0.18 0.00 0.00 178.31 177.95 1dp0 h ARG 557 N 1.01 0.00 0.00 1.51 3.08 -1.14 -3.28 114.38 115.55 1dp0 h ARG 557 Ca 0.33 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.21 1dp0 h ARG 557 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1dp0 h ARG 557 CO -0.10 0.83 -0.80 0.37 -1.07 0.00 0.00 179.97 179.21 1dp0 h GLN 558 N 0.00 0.00 -4.84 0.04 4.15 -0.75 -3.43 115.11 110.28 1dp0 h GLN 558 Ca -0.01 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.74 1dp0 h GLN 558 Cb 1.47 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.91 1dp0 h GLN 558 CO 0.11 0.80 -0.63 0.71 -1.93 0.00 0.00 178.83 177.88 1dp0 s TYR 559 N -2.97 3.12 0.20 3.99 1.51 -0.24 -5.00 117.35 117.96 1dp0 s TYR 559 Ca 0.01 -0.88 -0.11 0.00 -1.01 0.00 0.00 57.07 55.08 1dp0 s TYR 559 Cb 0.10 -2.24 0.25 0.00 -0.11 0.00 0.00 41.96 39.96 1dp0 s TYR 559 CO 0.79 -0.54 1.73 -1.35 -1.11 0.00 0.00 175.55 175.07 1dp0 h PRO 560 N 8.22 0.31 0.00 -1.71 0.11 -1.85 -1.01 132.00 136.08 1dp0 h PRO 560 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1dp0 h PRO 560 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1dp0 h PRO 560 CO 0.60 0.21 0.00 0.54 -0.21 0.00 0.00 178.00 179.14 1dp0 n ARG 561 N -5.06 0.09 -2.94 1.05 1.74 -1.26 -4.34 116.66 105.94 1dp0 n ARG 561 Ca 0.08 0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 56.87 1dp0 n ARG 561 Cb 0.27 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.86 4.50 -0.30 0.55 1.43 -0.38 -1.05 118.68 120.56 1dp0 s LEU 562 Ca 0.12 -0.78 0.10 0.00 -1.03 0.00 0.00 54.13 52.54 1dp0 s LEU 562 Cb 0.13 -2.56 0.65 0.00 0.03 0.00 0.00 46.19 44.43 1dp0 s LEU 562 CO 0.34 -1.22 1.67 0.00 0.23 0.00 0.00 176.35 177.37 1dp0 n GLN 563 N 7.16 3.00 0.00 1.70 6.02 -0.63 -4.65 117.38 129.98 1dp0 n GLN 563 Ca -0.03 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 1dp0 n GLN 563 Cb 0.46 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.66 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 -0.55 -0.49 3.80 1.08 0.00 -1.26 -0.41 105.19 107.37 1dp0 n GLY 564 Ca 0.37 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.43 1dp0 n GLY 564 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dp0 s GLY 565 N 0.00 -0.35 -0.29 -0.02 0.00 -0.99 -1.38 107.32 104.30 1dp0 s GLY 565 Ca 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.23 1dp0 s GLY 565 CO 0.00 3.56 0.01 -1.36 0.00 0.00 0.00 173.10 175.31 1dp0 s PHE 566 N -2.02 3.17 0.57 1.90 0.40 -0.42 -0.91 117.98 120.67 1dp0 s PHE 566 Ca 0.24 -1.52 -0.20 0.00 -0.60 0.00 0.00 56.93 54.85 1dp0 s PHE 566 Cb 0.04 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1dp0 s PHE 566 CO -0.05 -0.72 1.25 0.08 0.70 0.00 0.00 175.22 176.48 1dp0 s VAL 567 N 1.35 2.45 -0.38 -0.44 1.01 -0.39 -1.88 120.40 122.12 1dp0 s VAL 567 Ca -0.01 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1dp0 s VAL 567 Cb -0.18 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.13 1dp0 s VAL 567 CO -0.01 -0.04 0.18 0.86 0.00 0.00 0.00 175.10 176.09 1dp0 s TRP 568 N -1.48 3.32 0.07 5.22 -0.11 0.05 -0.54 118.94 125.48 1dp0 s TRP 568 Ca 0.75 -1.55 -0.00 0.00 1.22 0.00 0.00 56.10 56.52 1dp0 s TRP 568 Cb -0.34 -2.65 0.00 0.00 -1.50 0.00 0.00 33.47 28.98 1dp0 s TRP 568 CO 0.38 -0.80 0.10 -0.40 -4.62 0.00 0.00 176.95 171.61 1dp0 n ASP 569 N 4.84 -0.27 0.24 5.86 5.75 -0.51 0.46 116.55 132.92 1dp0 n ASP 569 Ca -0.10 -1.37 -0.12 0.00 -0.01 0.00 0.00 54.79 53.19 1dp0 n ASP 569 Cb 0.44 0.50 -0.06 0.00 -1.03 0.00 0.00 41.12 40.97 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 1.20 -0.61 -3.74 2.11 -0.00 -1.03 -1.17 115.95 112.71 1dp0 h TRP 570 Ca -0.05 -0.01 -0.46 0.00 -0.00 0.00 0.00 58.89 58.36 1dp0 h TRP 570 Cb 0.23 0.20 -0.32 0.00 -0.00 0.00 0.00 29.16 29.28 1dp0 h TRP 570 CO 0.00 -0.33 -0.80 0.54 -0.00 0.00 0.00 178.44 177.85 1dp0 s VAL 571 N -3.99 0.93 0.23 2.65 0.11 -1.26 -1.13 120.40 117.93 1dp0 s VAL 571 Ca -0.11 -0.42 -0.32 0.00 -2.93 0.00 0.00 61.98 58.20 1dp0 s VAL 571 Cb 0.01 -0.83 -0.13 0.00 -1.53 0.00 0.00 36.38 33.90 1dp0 s VAL 571 CO 0.36 0.29 1.43 0.47 -3.33 0.00 0.00 175.10 174.32 1dp0 n ASP 572 N 3.40 2.82 -3.57 3.54 8.00 -0.57 -4.36 116.55 125.81 1dp0 n ASP 572 Ca -0.19 1.13 -0.41 0.00 0.71 0.00 0.00 54.79 56.03 1dp0 n ASP 572 Cb 0.53 -1.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 2.21 4.48 -3.51 -1.24 6.02 0.40 -4.11 117.38 121.63 1dp0 n GLN 573 Ca 0.12 -3.57 -0.27 0.00 -0.01 0.00 0.00 57.00 53.27 1dp0 n GLN 573 Cb 0.31 -2.67 -0.03 0.00 1.02 0.00 0.00 30.24 28.87 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 0.30 6.40 0.09 1.08 1.04 -1.26 -4.72 113.70 116.63 1dp0 s SER 574 Ca 0.50 0.53 0.10 0.00 0.48 0.00 0.00 55.95 57.56 1dp0 s SER 574 Cb 0.17 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1dp0 s SER 574 CO -0.07 -0.14 -0.25 -0.76 0.98 0.00 0.00 173.24 173.00 1dp0 s LEU 575 N -3.56 2.36 0.10 2.42 1.43 -0.44 -4.37 118.68 116.62 1dp0 s LEU 575 Ca 0.41 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 1dp0 s LEU 575 Cb -0.11 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1dp0 s LEU 575 CO 0.30 0.21 0.85 -0.63 0.23 0.00 0.00 176.35 177.31 1dp0 s ILE 576 N -0.99 4.56 0.26 -0.59 -1.09 -0.48 -0.00 121.20 122.87 1dp0 s ILE 576 Ca 0.14 1.83 0.08 0.00 -2.23 0.00 0.00 60.65 60.47 1dp0 s ILE 576 Cb -0.10 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.52 1dp0 s ILE 576 CO 0.05 0.37 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.50 1dp0 s LYS 577 N -0.23 1.51 -0.05 2.79 1.02 0.29 -4.93 119.74 120.15 1dp0 s LYS 577 Ca 0.41 -1.73 0.05 0.00 0.02 0.00 0.00 55.97 54.72 1dp0 s LYS 577 Cb -0.22 -1.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.84 1dp0 s LYS 577 CO 0.26 0.12 -0.20 0.71 -0.92 0.00 0.00 175.35 175.33 1dp0 s TYR 578 N -2.92 1.96 0.14 3.18 1.51 -1.26 0.04 117.35 119.98 1dp0 s TYR 578 Ca 0.27 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1dp0 s TYR 578 Cb 0.01 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.59 1dp0 s TYR 578 CO 0.11 -0.18 0.19 -0.40 -1.11 0.00 0.00 175.55 174.15 1dp0 n ASP 579 N 3.07 0.05 -0.23 2.29 5.68 0.70 -4.82 116.55 123.28 1dp0 n ASP 579 Ca -0.18 -1.09 0.03 0.00 -0.50 0.00 0.00 54.79 53.06 1dp0 n ASP 579 Cb 0.53 -0.14 0.15 0.00 -1.14 0.00 0.00 41.12 40.52 1dp0 n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1dp0 h GLU 580 N 0.00 0.27 -0.00 0.11 4.11 -2.01 0.27 114.58 117.33 1dp0 h GLU 580 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1dp0 h GLU 580 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1dp0 h GLU 580 CO 0.05 0.18 0.00 0.09 0.07 0.00 0.00 179.01 179.40 1dp0 n ASN 581 N -5.13 0.02 -0.01 3.06 3.02 -1.26 -4.85 115.26 110.11 1dp0 n ASN 581 Ca 0.12 -1.90 -0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1dp0 n ASN 581 Cb 0.40 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.55 0.47 3.82 7.41 0.00 0.95 -5.00 105.19 113.39 1dp0 n GLY 582 Ca 0.02 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.22 7.00 0.44 1.61 0.01 -1.26 -4.71 114.94 115.81 1dp0 s ASN 583 Ca 0.00 1.22 -0.20 0.00 -0.71 0.00 0.00 52.86 53.18 1dp0 s ASN 583 Cb 0.00 -2.34 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 1dp0 s ASN 583 CO 0.00 0.21 0.94 -2.16 -1.51 0.00 0.00 177.10 174.57 1dp0 s PRO 584 N -1.42 4.15 0.07 -0.60 0.04 -1.26 -0.21 135.00 135.76 1dp0 s PRO 584 Ca 0.33 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1dp0 s PRO 584 Cb -0.18 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.18 1dp0 s PRO 584 CO 0.19 -0.06 0.26 1.67 0.04 0.00 0.00 177.00 179.10 1dp0 s TRP 585 N -2.25 0.00 -0.19 0.56 1.48 0.11 -4.91 118.94 113.73 1dp0 s TRP 585 Ca 0.61 -0.28 -0.20 0.00 -1.06 0.00 0.00 56.10 55.17 1dp0 s TRP 585 Cb -0.09 0.04 -0.03 0.00 -1.16 0.00 0.00 33.47 32.23 1dp0 s TRP 585 CO 0.17 -0.53 0.59 -1.12 -4.06 0.00 0.00 176.95 172.00 1dp0 s SER 586 N -2.43 6.65 0.15 -2.66 0.01 -1.26 -0.54 113.70 113.61 1dp0 s SER 586 Ca -0.01 0.79 0.07 0.00 1.31 0.00 0.00 55.95 58.11 1dp0 s SER 586 Cb 0.01 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 1dp0 s SER 586 CO -0.07 -0.23 -0.02 0.00 0.41 0.00 0.00 173.24 173.33 1dp0 s ALA 587 N 1.74 3.16 0.00 1.44 0.00 1.00 -4.92 121.76 124.19 1dp0 s ALA 587 Ca 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1dp0 s ALA 587 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1dp0 s ALA 587 CO 0.10 0.55 0.00 2.48 0.00 0.00 0.00 175.76 178.89 1dp0 n TYR 588 N 0.14 0.00 -1.60 0.00 0.18 -1.26 -1.33 117.16 113.29 1dp0 n TYR 588 Ca -0.11 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.19 1dp0 n TYR 588 Cb 0.54 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.46 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 1.97 0.30 1.81 -7.48 0.00 -0.60 -1.45 105.19 99.73 1dp0 n GLY 589 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 2.17 2.84 0.00 -0.02 0.00 -1.26 -3.96 105.19 104.96 1dp0 n GLY 590 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.51 1.61 8.00 -0.53 -1.86 116.55 123.27 1dp0 n ASP 591 Ca 0.00 -0.14 0.08 0.00 0.71 0.00 0.00 54.79 55.44 1dp0 n ASP 591 Cb 0.00 -0.21 0.18 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.21 0.49 -0.80 1.24 3.01 -1.26 -4.93 117.46 114.00 1dp0 n PHE 592 Ca 0.10 -0.84 0.00 0.00 1.01 0.00 0.00 57.45 57.72 1dp0 n PHE 592 Cb 0.13 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.69 0.88 3.70 1.37 0.00 -0.78 -4.86 105.19 104.82 1dp0 n GLY 593 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.93 6.87 -0.25 1.61 -4.77 -1.26 -5.01 116.67 110.94 1dp0 s ASP 594 Ca 0.00 2.20 -0.21 0.00 -3.30 0.00 0.00 52.55 51.24 1dp0 s ASP 594 Cb 0.00 -2.58 0.07 0.00 -1.09 0.00 0.00 42.92 39.32 1dp0 s ASP 594 CO 0.00 -0.65 0.65 0.28 0.70 0.00 0.00 175.17 176.15 1dp0 s THR 595 N 1.60 -0.00 0.88 2.11 -1.32 -1.26 -4.06 115.64 113.59 1dp0 s THR 595 Ca 0.64 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 1dp0 s THR 595 Cb -0.34 -0.92 0.12 0.00 -1.51 0.00 0.00 72.50 69.86 1dp0 s THR 595 CO 0.29 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 170.95 1dp0 s PRO 596 N 0.59 1.38 0.19 7.08 0.02 -1.26 -5.16 135.00 137.85 1dp0 s PRO 596 Ca -0.02 0.83 -0.09 0.00 0.02 0.00 0.00 61.00 61.74 1dp0 s PRO 596 Cb -0.05 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 1dp0 s PRO 596 CO -0.03 -2.16 0.32 0.54 -0.33 0.00 0.00 177.00 175.35 1dp0 s ASN 597 N -3.45 0.01 -0.38 2.53 2.20 -1.26 -4.73 114.94 109.86 1dp0 s ASN 597 Ca 0.63 -0.95 0.06 0.00 -0.94 0.00 0.00 52.86 51.65 1dp0 s ASN 597 Cb -0.18 0.47 0.48 0.00 -2.00 0.00 0.00 41.25 40.03 1dp0 s ASN 597 CO 0.57 -0.96 1.50 0.47 -2.94 0.00 0.00 177.10 175.74 1dp0 n ASP 598 N -0.27 4.45 0.00 3.54 8.00 -0.05 -4.95 116.55 127.27 1dp0 n ASP 598 Ca -0.04 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.68 1dp0 n ASP 598 Cb 0.63 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.94 0.00 0.00 -1.24 1.85 -1.25 -1.73 116.66 113.34 1dp0 n ARG 599 Ca 0.44 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 57.42 1dp0 n ARG 599 Cb 0.95 0.00 0.76 0.00 -1.05 0.00 0.00 32.46 33.12 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 13.97 0.75 0.00 2.89 0.00 -1.26 -1.56 117.38 132.16 1dp0 n GLN 600 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 57.00 57.03 1dp0 n GLN 600 Cb 0.00 -1.50 0.13 0.00 0.00 0.00 0.00 30.24 28.87 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 -1.05 0.00 1.27 2.61 3.01 -0.71 -1.00 117.46 121.59 1dp0 n PHE 601 Ca 0.18 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.78 1dp0 n PHE 601 Cb 0.11 -0.23 0.48 0.00 -0.01 0.00 0.00 39.48 39.82 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 -2.58 2.53 -0.06 0.00 -1.94 -0.17 -0.45 119.30 116.62 1dp0 s MET 603 Ca 0.24 -2.12 0.11 0.00 -1.71 0.00 0.00 55.69 52.20 1dp0 s MET 603 Cb 0.19 -3.84 0.19 0.00 2.01 0.00 0.00 34.83 33.38 1dp0 s MET 603 CO 0.52 -1.17 1.09 0.09 -0.01 0.00 0.00 175.02 175.54 1dp0 n ASN 604 N 4.24 1.07 -4.90 3.03 5.03 -1.26 -4.13 115.26 118.34 1dp0 n ASN 604 Ca 0.01 -2.54 -0.28 0.00 0.87 0.00 0.00 54.58 52.64 1dp0 n ASN 604 Cb 0.40 -0.32 -0.01 0.00 -1.02 0.00 0.00 39.78 38.83 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 -1.96 1.64 0.39 7.41 0.00 -1.24 -1.42 107.32 112.14 1dp0 s GLY 605 Ca 0.18 -0.50 0.21 0.00 0.00 0.00 0.00 44.72 44.61 1dp0 s GLY 605 CO -0.02 -0.35 1.68 1.41 0.00 0.00 0.00 173.10 175.83 1dp0 h LEU 606 N 0.79 0.00 -8.93 0.66 3.38 0.19 -3.43 115.31 107.96 1dp0 h LEU 606 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.90 1dp0 h LEU 606 Cb 1.20 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 1dp0 h LEU 606 CO 0.63 0.31 -0.80 0.68 0.09 0.00 0.00 178.44 179.34 1dp0 s VAL 607 N -3.39 2.09 0.90 1.22 -7.23 -0.43 -0.94 120.40 112.62 1dp0 s VAL 607 Ca 0.02 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 1dp0 s VAL 607 Cb 0.09 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 35.18 1dp0 s VAL 607 CO 0.68 -0.21 1.12 -0.36 -0.31 0.00 0.00 175.10 176.02 1dp0 s PHE 608 N -1.83 2.50 0.46 2.82 0.40 0.11 -1.51 117.98 120.92 1dp0 s PHE 608 Ca 0.18 0.97 0.21 0.00 -0.60 0.00 0.00 56.93 57.69 1dp0 s PHE 608 Cb -0.07 -3.29 1.20 0.00 0.51 0.00 0.00 43.02 41.37 1dp0 s PHE 608 CO 0.08 -2.33 1.90 0.00 0.70 0.00 0.00 175.22 175.57 1dp0 h ALA 609 N -1.48 2.34 -0.20 5.36 0.00 -1.89 0.18 119.26 123.57 1dp0 h ALA 609 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1dp0 h ALA 609 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dp0 h ALA 609 CO 0.60 -0.58 0.00 -0.40 0.00 0.00 0.00 179.25 178.87 1dp0 n ASP 610 N -4.43 1.21 0.00 0.00 5.68 -1.26 -4.48 116.55 113.26 1dp0 n ASP 610 Ca 0.16 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1dp0 n ASP 610 Cb 0.68 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1dp0 n ASP 610 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1dp0 n ARG 611 N 0.12 0.00 -2.11 0.11 3.00 0.61 -5.03 116.66 113.36 1dp0 n ARG 611 Ca 0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.53 1dp0 n ARG 611 Cb 0.21 -1.83 -0.02 0.00 0.00 0.00 0.00 32.46 30.81 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 -3.44 2.80 0.50 0.55 2.01 -1.26 -4.75 115.64 112.05 1dp0 s THR 612 Ca 0.00 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.55 1dp0 s THR 612 Cb 0.00 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1dp0 s THR 612 CO 0.00 0.15 1.00 -2.84 -0.69 0.00 0.00 174.62 172.24 1dp0 s PRO 613 N -1.08 3.88 0.55 4.92 0.02 -1.26 -0.72 135.00 141.31 1dp0 s PRO 613 Ca 0.53 1.14 -0.06 0.00 0.02 0.00 0.00 61.00 62.63 1dp0 s PRO 613 Cb -0.40 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.99 1dp0 s PRO 613 CO 0.47 -0.34 0.87 -1.01 -0.33 0.00 0.00 177.00 176.66 1dp0 s HIS 614 N -2.32 3.42 0.49 6.54 3.76 -0.12 -4.79 115.29 122.27 1dp0 s HIS 614 Ca 0.63 0.79 0.16 0.00 -0.15 0.00 0.00 55.06 56.48 1dp0 s HIS 614 Cb -0.12 -2.56 1.19 0.00 1.11 0.00 0.00 32.58 32.19 1dp0 s HIS 614 CO 0.25 -0.59 2.09 -1.35 -0.85 0.00 0.00 174.74 174.28 1dp0 h PRO 615 N -0.04 0.00 -0.01 8.40 0.11 -1.93 -2.39 132.00 136.14 1dp0 h PRO 615 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.07 0.02 0.00 -0.21 0.00 0.00 178.00 178.49 1dp0 h ALA 616 N 1.93 1.42 -0.71 -0.75 0.00 -1.86 -2.11 119.26 117.18 1dp0 h ALA 616 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1dp0 h ALA 616 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1dp0 h ALA 616 CO 0.01 -0.02 0.47 1.25 0.00 0.00 0.00 179.25 180.96 1dp0 h LEU 617 N 0.00 0.71 -1.06 0.00 5.85 -1.62 -0.69 115.31 118.50 1dp0 h LEU 617 Ca 0.01 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1dp0 h LEU 617 Cb 0.04 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1dp0 h LEU 617 CO -0.00 0.48 -0.42 0.00 -0.34 0.00 0.00 178.44 178.16 1dp0 h THR 618 N 0.82 1.12 -0.40 1.05 1.03 -1.59 0.79 112.91 115.73 1dp0 h THR 618 Ca 0.29 -1.54 -0.14 0.00 -0.01 0.00 0.00 66.41 65.01 1dp0 h THR 618 Cb 0.13 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 1dp0 h THR 618 CO -0.09 0.41 -0.32 -0.08 -0.01 0.00 0.00 175.52 175.44 1dp0 h GLU 619 N 0.00 0.90 -0.20 0.00 4.57 -1.25 -1.86 114.58 116.74 1dp0 h GLU 619 Ca -0.00 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1dp0 h GLU 619 Cb 0.84 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1dp0 h GLU 619 CO 0.05 1.08 0.08 0.00 -1.18 0.00 0.00 179.01 179.05 1dp0 h ALA 620 N 0.88 0.26 -0.59 2.92 0.00 -0.61 -1.53 119.26 120.58 1dp0 h ALA 620 Ca 0.08 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1dp0 h ALA 620 Cb 0.89 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1dp0 h ALA 620 CO 0.08 -0.16 0.15 -0.22 0.00 0.00 0.00 179.25 179.09 1dp0 h LYS 621 N 0.17 0.28 -0.25 0.00 3.64 -0.66 -0.61 116.57 119.15 1dp0 h LYS 621 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1dp0 h LYS 621 Cb 0.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1dp0 h LYS 621 CO -0.01 0.18 -0.02 1.25 -2.27 0.00 0.00 179.45 178.59 1dp0 h HIS 622 N 0.29 0.49 0.00 1.91 2.76 -1.23 -2.95 115.15 116.42 1dp0 h HIS 622 Ca 0.31 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1dp0 h HIS 622 Cb 0.44 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1dp0 h HIS 622 CO -0.23 0.63 -0.16 1.96 -1.30 0.00 0.00 177.93 178.83 1dp0 h GLN 623 N 0.21 0.00 -0.63 5.26 1.08 -1.01 -2.68 115.11 117.35 1dp0 h GLN 623 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1dp0 h GLN 623 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1dp0 h GLN 623 CO 0.02 0.16 0.00 1.04 -0.95 0.00 0.00 178.83 179.10 1dp0 n GLN 624 N -3.32 2.94 -1.40 1.46 6.02 -0.26 -4.97 117.38 117.85 1dp0 n GLN 624 Ca 0.00 -1.91 -0.36 0.00 -0.01 0.00 0.00 57.00 54.73 1dp0 n GLN 624 Cb 0.39 -1.74 0.09 0.00 1.02 0.00 0.00 30.24 30.01 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 0.61 0.60 -0.02 -1.09 6.02 -1.01 -4.87 117.38 117.62 1dp0 n GLN 625 Ca 0.17 0.26 0.12 0.00 -0.01 0.00 0.00 57.00 57.54 1dp0 n GLN 625 Cb 0.67 -2.32 0.12 0.00 1.02 0.00 0.00 30.24 29.72 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 -2.49 0.05 -4.83 1.08 3.01 -1.26 -4.88 117.46 108.13 1dp0 n PHE 626 Ca 0.14 -0.02 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 1dp0 n PHE 626 Cb 0.49 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.95 1.75 0.08 1.38 0.40 -1.26 0.14 117.98 118.52 1dp0 s PHE 627 Ca 0.29 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 56.14 1dp0 s PHE 627 Cb 0.20 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1dp0 s PHE 627 CO 0.30 -0.20 -0.09 -0.65 0.70 0.00 0.00 175.22 175.28 1dp0 s GLN 628 N 0.16 2.22 0.09 0.44 -1.52 -0.52 -4.94 119.66 115.59 1dp0 s GLN 628 Ca -0.07 -0.96 0.04 0.00 -1.95 0.00 0.00 55.36 52.42 1dp0 s GLN 628 Cb -0.13 -2.35 -0.03 0.00 -0.22 0.00 0.00 33.01 30.28 1dp0 s GLN 628 CO 0.03 0.53 -0.10 -0.06 -0.25 0.00 0.00 175.29 175.43 1dp0 s PHE 629 N -1.17 1.05 0.05 0.91 0.40 -1.26 -0.49 117.98 117.47 1dp0 s PHE 629 Ca 0.21 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1dp0 s PHE 629 Cb -0.11 -0.58 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 1dp0 s PHE 629 CO 0.13 -0.00 -0.05 1.03 0.70 0.00 0.00 175.22 177.02 1dp0 s ARG 630 N -2.63 0.55 -0.05 0.44 0.52 0.36 -4.97 118.95 113.18 1dp0 s ARG 630 Ca 0.04 -0.93 0.06 0.00 -0.52 0.00 0.00 55.73 54.38 1dp0 s ARG 630 Cb -0.04 -0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 1dp0 s ARG 630 CO 0.00 -0.02 -0.24 -1.17 0.02 0.00 0.00 175.30 173.90 1dp0 s LEU 631 N -2.10 2.04 -0.27 2.53 2.96 -1.26 -0.76 118.68 121.81 1dp0 s LEU 631 Ca -0.04 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1dp0 s LEU 631 Cb -0.04 -1.29 0.11 0.00 0.50 0.00 0.00 46.19 45.47 1dp0 s LEU 631 CO -0.03 0.23 0.20 -0.55 -1.32 0.00 0.00 176.35 174.88 1dp0 s SER 632 N -0.13 2.47 1.71 3.68 0.15 0.55 -4.99 113.70 117.14 1dp0 s SER 632 Ca -0.03 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1dp0 s SER 632 Cb -0.13 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1dp0 s SER 632 CO 0.03 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1dp0 n GLY 633 N 5.28 1.42 0.74 9.45 0.00 -1.26 0.11 105.19 120.93 1dp0 n GLY 633 Ca -0.05 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1dp0 n GLY 633 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1dp0 n GLN 634 N 0.02 1.84 -3.51 1.61 -0.06 -1.26 -4.89 117.38 111.13 1dp0 n GLN 634 Ca 0.00 -1.50 -0.38 0.00 -2.00 0.00 0.00 57.00 53.13 1dp0 n GLN 634 Cb 0.00 -1.47 -0.09 0.00 -4.06 0.00 0.00 30.24 24.62 1dp0 n GLN 634 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1dp0 s THR 635 N -2.19 5.27 -0.21 1.69 2.01 0.30 -0.13 115.64 122.38 1dp0 s THR 635 Ca 0.25 0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 1dp0 s THR 635 Cb 0.19 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1dp0 s THR 635 CO 0.41 0.28 0.05 -0.63 -0.69 0.00 0.00 174.62 174.04 1dp0 s ILE 636 N 1.33 4.47 -0.24 1.82 1.01 -0.30 0.21 121.20 129.49 1dp0 s ILE 636 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1dp0 s ILE 636 Cb -0.14 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 1dp0 s ILE 636 CO 0.07 0.41 0.05 -0.70 0.00 0.00 0.00 174.94 174.76 1dp0 s GLU 637 N 0.94 3.58 -0.20 2.79 2.12 0.06 -0.86 118.70 127.13 1dp0 s GLU 637 Ca 0.03 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.77 1dp0 s GLU 637 Cb -0.14 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1dp0 s GLU 637 CO 0.03 -0.19 0.08 0.08 -0.54 0.00 0.00 175.26 174.71 1dp0 s VAL 638 N 1.58 4.81 -0.03 3.70 1.01 -0.55 -0.49 120.40 130.44 1dp0 s VAL 638 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1dp0 s VAL 638 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1dp0 s VAL 638 CO 0.02 0.43 -0.25 -0.89 0.00 0.00 0.00 175.10 174.41 1dp0 s THR 639 N 0.59 2.04 -0.07 3.92 2.01 0.36 -1.43 115.64 123.05 1dp0 s THR 639 Ca 0.04 -1.09 -0.15 0.00 0.31 0.00 0.00 61.69 60.80 1dp0 s THR 639 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1dp0 s THR 639 CO 0.01 0.57 0.40 -0.55 -0.69 0.00 0.00 174.62 174.36 1dp0 s SER 640 N -0.44 6.69 0.00 3.53 0.15 -0.48 -1.44 113.70 121.70 1dp0 s SER 640 Ca 0.05 0.81 0.22 0.00 0.70 0.00 0.00 55.95 57.73 1dp0 s SER 640 Cb -0.11 -2.24 0.45 0.00 -1.71 0.00 0.00 66.02 62.40 1dp0 s SER 640 CO 0.01 0.18 1.40 -0.62 1.20 0.00 0.00 173.24 175.41 1dp0 n GLU 641 N 2.76 2.51 -2.18 5.44 1.02 0.36 -2.45 120.64 128.11 1dp0 n GLU 641 Ca -0.12 -2.32 -0.38 0.00 -0.02 0.00 0.00 57.16 54.32 1dp0 n GLU 641 Cb 0.52 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.35 2.90 -0.13 -0.32 1.51 -1.26 -4.82 117.35 113.89 1dp0 s TYR 642 Ca 0.39 1.49 0.19 0.00 -1.01 0.00 0.00 57.07 58.13 1dp0 s TYR 642 Cb 0.22 -3.51 -0.21 0.00 -0.11 0.00 0.00 41.96 38.36 1dp0 s TYR 642 CO 0.31 -1.71 0.56 1.28 -1.11 0.00 0.00 175.55 174.88 1dp0 n LEU 643 N -0.08 0.42 0.00 -1.29 4.77 -1.26 -1.95 117.00 117.62 1dp0 n LEU 643 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1dp0 n LEU 643 Cb 0.46 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1dp0 n LEU 643 CO 0.52 0.17 -0.33 0.49 -1.33 0.00 0.00 177.39 176.91 1dp0 n PHE 644 N -2.68 0.00 -3.70 -1.77 0.99 -1.26 -4.84 117.46 104.20 1dp0 n PHE 644 Ca -0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.04 1dp0 n PHE 644 Cb 0.83 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.28 1dp0 n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1dp0 s ARG 645 N -1.67 3.52 0.51 -1.08 1.70 -1.26 -4.76 118.95 115.91 1dp0 s ARG 645 Ca 0.00 -0.34 -0.09 0.00 -0.47 0.00 0.00 55.73 54.83 1dp0 s ARG 645 Cb 0.00 -2.84 -0.04 0.00 -0.57 0.00 0.00 34.95 31.49 1dp0 s ARG 645 CO 0.00 0.40 0.87 -1.01 -1.08 0.00 0.00 175.30 174.48 1dp0 s HIS 646 N -1.86 3.56 -1.33 5.89 3.76 -1.26 -3.52 115.29 120.53 1dp0 s HIS 646 Ca 0.38 1.04 -0.14 0.00 -0.15 0.00 0.00 55.06 56.19 1dp0 s HIS 646 Cb -0.11 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1dp0 s HIS 646 CO 0.29 -0.38 2.32 -1.13 -0.85 0.00 0.00 174.74 174.99 1dp0 n SER 647 N -2.20 4.73 -0.84 1.40 3.41 -0.62 -4.64 113.62 114.86 1dp0 n SER 647 Ca 0.03 -2.71 0.04 0.00 -0.26 0.00 0.00 58.87 55.97 1dp0 n SER 647 Cb 0.55 -1.49 0.16 0.00 -0.26 0.00 0.00 64.21 63.16 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 5.67 2.37 -2.70 4.04 5.68 -1.26 -3.77 116.55 126.58 1dp0 n ASP 648 Ca 0.57 -2.20 -0.09 0.00 -0.50 0.00 0.00 54.79 52.57 1dp0 n ASP 648 Cb 0.34 -0.39 0.07 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.36 -0.19 -3.71 -1.12 5.15 -1.26 -5.06 115.26 109.44 1dp0 n ASN 649 Ca 0.11 -2.66 -0.14 0.00 -0.60 0.00 0.00 54.58 51.30 1dp0 n ASN 649 Cb 0.46 0.24 -0.09 0.00 -0.53 0.00 0.00 39.78 39.86 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 -1.52 0.65 0.04 1.20 8.01 -1.25 -4.14 118.70 121.69 1dp0 s GLU 650 Ca 0.25 0.30 0.02 0.00 0.01 0.00 0.00 54.97 55.56 1dp0 s GLU 650 Cb 0.42 0.30 -0.02 0.00 -4.31 0.00 0.00 34.13 30.52 1dp0 s GLU 650 CO -0.03 -0.14 -0.08 -0.48 0.01 0.00 0.00 175.26 174.54 1dp0 s LEU 651 N -0.49 2.24 -0.27 1.80 2.34 -0.24 -2.14 118.68 121.91 1dp0 s LEU 651 Ca -0.06 -0.52 -0.12 0.00 0.06 0.00 0.00 54.13 53.48 1dp0 s LEU 651 Cb -0.03 -0.20 -0.05 0.00 -0.56 0.00 0.00 46.19 45.35 1dp0 s LEU 651 CO 0.03 -0.17 0.25 -0.22 -1.06 0.00 0.00 176.35 175.18 1dp0 s LEU 652 N -1.48 4.03 -0.14 1.48 2.96 0.56 -0.46 118.68 125.63 1dp0 s LEU 652 Ca -0.09 0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1dp0 s LEU 652 Cb -0.09 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1dp0 s LEU 652 CO 0.00 -0.09 0.05 -2.28 -1.32 0.00 0.00 176.35 172.71 1dp0 s HIS 653 N 1.81 3.26 0.10 5.38 5.65 0.15 -0.79 115.29 130.85 1dp0 s HIS 653 Ca 0.10 0.16 0.06 0.00 0.25 0.00 0.00 55.06 55.62 1dp0 s HIS 653 Cb -0.16 -1.95 -0.03 0.00 -1.18 0.00 0.00 32.58 29.26 1dp0 s HIS 653 CO 0.10 0.34 -0.14 1.67 -0.65 0.00 0.00 174.74 176.06 1dp0 s TRP 654 N -0.29 1.32 -0.19 3.88 1.48 -0.32 -0.83 118.94 124.00 1dp0 s TRP 654 Ca 0.08 -0.52 -0.14 0.00 -1.06 0.00 0.00 56.10 54.45 1dp0 s TRP 654 Cb -0.12 -0.71 0.06 0.00 -1.16 0.00 0.00 33.47 31.53 1dp0 s TRP 654 CO 0.02 0.10 0.49 1.41 -4.06 0.00 0.00 176.95 174.92 1dp0 s MET 655 N -2.31 0.53 -0.13 3.25 -2.45 -0.62 -1.22 119.30 116.34 1dp0 s MET 655 Ca 0.05 0.80 0.00 0.00 -1.25 0.00 0.00 55.69 55.29 1dp0 s MET 655 Cb -0.07 0.15 -0.01 0.00 1.25 0.00 0.00 34.83 36.16 1dp0 s MET 655 CO 0.03 -0.11 -0.15 0.08 1.05 0.00 0.00 175.02 175.92 1dp0 s VAL 656 N 0.86 2.86 0.04 10.11 1.01 0.16 -1.14 120.40 134.29 1dp0 s VAL 656 Ca -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1dp0 s VAL 656 Cb -0.05 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1dp0 s VAL 656 CO -0.07 0.52 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 1dp0 s ALA 657 N 0.47 0.64 -0.34 5.51 0.00 -0.57 -0.30 121.76 127.17 1dp0 s ALA 657 Ca -0.10 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1dp0 s ALA 657 Cb -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1dp0 s ALA 657 CO 0.05 0.04 0.19 -1.17 0.00 0.00 0.00 175.76 174.86 1dp0 s LEU 658 N -1.29 4.41 -1.46 0.00 2.96 0.18 -0.89 118.68 122.58 1dp0 s LEU 658 Ca -0.06 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.15 1dp0 s LEU 658 Cb -0.08 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1dp0 s LEU 658 CO 0.01 -0.27 0.31 0.47 -1.32 0.00 0.00 176.35 175.54 1dp0 n ASP 659 N 5.01 -0.03 0.00 3.68 8.00 -0.93 -0.25 116.55 132.03 1dp0 n ASP 659 Ca -0.13 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1dp0 n ASP 659 Cb 0.48 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.97 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 -2.14 3.16 3.62 0.44 0.00 -1.26 -4.88 105.19 104.13 1dp0 n GLY 660 Ca -0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.35 4.07 0.23 1.61 1.02 0.66 -4.65 119.74 122.32 1dp0 s LYS 661 Ca 0.00 0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.89 1dp0 s LYS 661 Cb 0.00 -3.64 -0.12 0.00 -0.52 0.00 0.00 37.83 33.55 1dp0 s LYS 661 CO 0.00 -0.28 1.70 -2.14 -0.92 0.00 0.00 175.35 173.71 1dp0 s PRO 662 N 2.09 4.12 -0.11 -1.68 0.02 -1.26 0.48 135.00 138.65 1dp0 s PRO 662 Ca 0.19 2.62 0.01 0.00 0.02 0.00 0.00 61.00 63.84 1dp0 s PRO 662 Cb -0.16 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.23 1dp0 s PRO 662 CO 0.09 -0.73 -0.09 1.28 -0.33 0.00 0.00 177.00 177.22 1dp0 n LEU 663 N 3.52 2.73 -3.53 -5.54 7.99 0.59 -4.85 117.00 117.92 1dp0 n LEU 663 Ca 0.14 -0.06 -0.07 0.00 -0.01 0.00 0.00 56.01 56.01 1dp0 n LEU 663 Cb 0.36 -0.34 -0.02 0.00 -0.11 0.00 0.00 43.42 43.31 1dp0 n LEU 663 CO 0.64 0.65 0.76 0.00 -1.51 0.00 0.00 177.39 177.92 1dp0 s ALA 664 N -2.22 -1.87 0.24 -1.18 0.00 -1.00 -4.99 121.76 110.73 1dp0 s ALA 664 Ca -0.14 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 1dp0 s ALA 664 Cb 0.04 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1dp0 s ALA 664 CO 0.27 -0.68 0.86 -1.54 0.00 0.00 0.00 175.76 174.67 1dp0 s SER 665 N -2.43 -0.15 -0.01 0.00 1.04 -1.26 0.41 113.70 111.29 1dp0 s SER 665 Ca 0.06 -0.64 -0.26 0.00 0.48 0.00 0.00 55.95 55.59 1dp0 s SER 665 Cb -0.01 0.64 0.08 0.00 0.10 0.00 0.00 66.02 66.83 1dp0 s SER 665 CO -0.08 -1.21 1.16 0.61 0.98 0.00 0.00 173.24 174.70 1dp0 n GLY 666 N -0.51 0.27 3.04 7.32 0.00 -0.36 -4.97 105.19 109.98 1dp0 n GLY 666 Ca -0.05 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 1dp0 n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dp0 s GLU 667 N -2.01 0.32 -0.03 1.61 -1.05 -1.26 -1.17 118.70 115.10 1dp0 s GLU 667 Ca 0.27 -0.22 0.02 0.00 -0.15 0.00 0.00 54.97 54.88 1dp0 s GLU 667 Cb -0.01 0.13 0.01 0.00 -0.44 0.00 0.00 34.13 33.82 1dp0 s GLU 667 CO -0.00 -0.06 -0.06 0.08 0.95 0.00 0.00 175.26 176.17 1dp0 s VAL 668 N -0.84 0.55 0.44 1.83 1.01 0.03 -5.00 120.40 118.42 1dp0 s VAL 668 Ca -0.09 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 1dp0 s VAL 668 Cb -0.05 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.72 1dp0 s VAL 668 CO 0.01 0.20 1.12 -2.16 0.00 0.00 0.00 175.10 174.27 1dp0 s PRO 669 N 0.45 3.92 -0.17 2.72 0.05 -1.26 -0.32 135.00 140.38 1dp0 s PRO 669 Ca -0.06 1.68 -0.09 0.00 0.05 0.00 0.00 61.00 62.58 1dp0 s PRO 669 Cb -0.10 -2.46 -0.05 0.00 0.05 0.00 0.00 34.50 31.94 1dp0 s PRO 669 CO 0.00 -0.40 0.14 -0.51 0.05 0.00 0.00 177.00 176.28 1dp0 s LEU 670 N -2.87 4.27 -0.42 -3.56 1.43 -0.91 -4.74 118.68 111.88 1dp0 s LEU 670 Ca 0.61 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 1dp0 s LEU 670 Cb -0.26 -2.09 0.19 0.00 0.03 0.00 0.00 46.19 44.06 1dp0 s LEU 670 CO 0.32 0.25 0.40 -0.67 0.23 0.00 0.00 176.35 176.89 1dp0 n ASP 671 N 3.04 -0.07 -4.32 2.29 2.03 -1.26 -4.73 116.55 113.54 1dp0 n ASP 671 Ca -0.17 -2.52 -0.32 0.00 0.52 0.00 0.00 54.79 52.30 1dp0 n ASP 671 Cb 0.53 -0.59 -0.15 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.40 2.54 0.72 5.18 1.01 -1.26 -4.91 120.40 123.28 1dp0 s VAL 672 Ca 0.33 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1dp0 s VAL 672 Cb 0.07 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1dp0 s VAL 672 CO -0.17 0.55 1.07 0.00 0.00 0.00 0.00 175.10 176.56 1dp0 s ALA 673 N 0.12 2.52 0.17 5.51 0.00 -1.26 -1.59 121.76 127.23 1dp0 s ALA 673 Ca -0.09 0.19 -0.33 0.00 0.00 0.00 0.00 51.96 51.73 1dp0 s ALA 673 Cb -0.15 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1dp0 s ALA 673 CO 0.06 -1.40 1.52 -0.35 0.00 0.00 0.00 175.76 175.59 1dp0 n PRO 674 N -3.17 2.06 -0.78 0.00 -0.04 -1.23 0.15 135.00 132.00 1dp0 n PRO 674 Ca 0.08 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1dp0 n PRO 674 Cb 0.53 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1dp0 n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dp0 n GLN 675 N 3.05 -0.29 -1.59 0.54 1.13 -0.82 -4.94 117.38 114.46 1dp0 n GLN 675 Ca 0.16 0.07 -0.15 0.00 -1.94 0.00 0.00 57.00 55.14 1dp0 n GLN 675 Cb 0.29 -3.80 0.09 0.00 0.11 0.00 0.00 30.24 26.92 1dp0 n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dp0 n GLY 676 N -1.66 0.10 3.18 1.08 0.00 0.12 -4.72 105.19 103.29 1dp0 n GLY 676 Ca 0.00 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 1dp0 n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dp0 s LYS 677 N -4.22 0.87 -0.03 1.61 1.02 -1.26 -1.38 119.74 116.35 1dp0 s LYS 677 Ca 0.41 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1dp0 s LYS 677 Cb -0.02 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1dp0 s LYS 677 CO 0.28 0.09 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.64 1dp0 s GLN 678 N -2.78 0.40 -0.14 1.68 0.74 -0.52 -4.85 119.66 114.18 1dp0 s GLN 678 Ca 0.06 -0.00 -0.07 0.00 0.05 0.00 0.00 55.36 55.39 1dp0 s GLN 678 Cb -0.03 -0.50 -0.04 0.00 1.10 0.00 0.00 33.01 33.54 1dp0 s GLN 678 CO 0.00 -0.08 0.11 -0.51 -0.55 0.00 0.00 175.29 174.27 1dp0 s LEU 679 N 0.75 4.19 -0.12 3.68 1.43 -1.26 -1.49 118.68 125.86 1dp0 s LEU 679 Ca -0.08 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1dp0 s LEU 679 Cb -0.11 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1dp0 s LEU 679 CO -0.01 0.32 -0.10 -0.63 0.23 0.00 0.00 176.35 176.16 1dp0 s ILE 680 N -0.50 1.19 -0.26 -0.59 1.01 -0.04 -5.00 121.20 117.01 1dp0 s ILE 680 Ca 0.12 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 1dp0 s ILE 680 Cb -0.12 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1dp0 s ILE 680 CO 0.02 0.40 0.52 -0.70 0.00 0.00 0.00 174.94 175.17 1dp0 s GLU 681 N 1.63 4.07 0.46 2.79 2.56 -1.26 -1.15 118.70 127.80 1dp0 s GLU 681 Ca 0.05 0.32 -0.21 0.00 0.00 0.00 0.00 54.97 55.13 1dp0 s GLU 681 Cb -0.13 -3.65 -0.09 0.00 2.00 0.00 0.00 34.13 32.26 1dp0 s GLU 681 CO -0.09 -0.35 1.01 -0.51 -0.56 0.00 0.00 175.26 174.76 1dp0 s LEU 682 N 2.31 3.90 1.12 2.70 1.43 0.81 -5.02 118.68 125.93 1dp0 s LEU 682 Ca 0.21 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.03 1dp0 s LEU 682 Cb -0.16 -4.52 0.25 0.00 0.03 0.00 0.00 46.19 41.79 1dp0 s LEU 682 CO 0.09 -0.64 1.08 -2.84 0.23 0.00 0.00 176.35 174.28 1dp0 s PRO 683 N -3.15 -0.58 0.20 1.29 0.02 -1.26 -4.91 135.00 126.61 1dp0 s PRO 683 Ca 0.65 0.28 -0.33 0.00 0.02 0.00 0.00 61.00 61.63 1dp0 s PRO 683 Cb -0.15 -1.64 -0.13 0.00 0.02 0.00 0.00 34.50 32.60 1dp0 s PRO 683 CO 0.19 -3.36 1.60 -1.91 -0.33 0.00 0.00 177.00 173.19 1dp0 n GLU 684 N -4.57 2.37 -2.88 5.54 0.00 -1.26 -4.90 120.64 114.94 1dp0 n GLU 684 Ca 0.08 0.85 -0.44 0.00 0.00 0.00 0.00 57.16 57.66 1dp0 n GLU 684 Cb 0.58 -2.63 -0.02 0.00 0.00 0.00 0.00 31.44 29.37 1dp0 n GLU 684 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1dp0 s LEU 685 N 0.75 4.85 0.38 4.31 1.43 -1.26 -5.00 118.68 124.14 1dp0 s LEU 685 Ca 0.75 -2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 51.53 1dp0 s LEU 685 Cb -0.61 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.06 1dp0 s LEU 685 CO 0.39 -1.09 0.81 -2.65 0.23 0.00 0.00 176.35 174.04 1dp0 n PRO 686 N 6.77 0.97 -1.92 1.29 -0.02 -1.26 -4.86 135.00 135.96 1dp0 n PRO 686 Ca 0.27 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1dp0 n PRO 686 Cb 0.49 -1.73 0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1dp0 n PRO 686 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1dp0 s GLN 687 N -1.68 2.99 0.16 -0.52 1.11 -1.26 -5.00 119.66 115.47 1dp0 s GLN 687 Ca 0.62 1.45 -0.07 0.00 0.01 0.00 0.00 55.36 57.37 1dp0 s GLN 687 Cb -0.63 -1.97 -0.06 0.00 -1.01 0.00 0.00 33.01 29.33 1dp0 s GLN 687 CO 0.58 -1.11 0.44 -1.25 0.01 0.00 0.00 175.29 173.96 1dp0 s PRO 688 N -3.84 3.70 -1.05 2.91 0.04 -1.26 -5.02 135.00 130.48 1dp0 s PRO 688 Ca 0.69 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.76 1dp0 s PRO 688 Cb -0.21 -2.80 0.30 0.00 0.04 0.00 0.00 34.50 31.83 1dp0 s PRO 688 CO 0.37 0.43 1.41 0.39 0.04 0.00 0.00 177.00 179.64 1dp0 n GLU 689 N 0.13 4.29 0.00 4.56 -0.58 -1.26 -4.92 120.64 122.85 1dp0 n GLU 689 Ca -0.02 -4.56 0.00 0.00 -0.42 0.00 0.00 57.16 52.15 1dp0 n GLU 689 Cb 0.52 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 1dp0 n GLU 689 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1dp0 n SER 690 N 1.34 0.00 -4.72 1.62 3.41 -1.26 -5.15 113.62 108.86 1dp0 n SER 690 Ca 0.26 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.57 1dp0 n SER 690 Cb 0.34 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1dp0 n SER 690 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 s ALA 691 N -2.00 1.66 0.00 7.33 0.00 -1.26 -4.85 121.76 122.64 1dp0 s ALA 691 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1dp0 s ALA 691 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1dp0 s ALA 691 CO 0.00 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 173.88 1dp0 n GLY 692 N -0.89 2.12 3.49 0.00 0.00 -0.38 -4.94 105.19 104.58 1dp0 n GLY 692 Ca 0.08 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.50 3.68 0.13 1.61 2.00 -1.26 -0.93 119.66 123.39 1dp0 s GLN 693 Ca 0.00 -0.49 -0.21 0.00 -2.00 0.00 0.00 55.36 52.66 1dp0 s GLN 693 Cb 0.00 -3.06 -0.07 0.00 0.80 0.00 0.00 33.01 30.67 1dp0 s GLN 693 CO 0.00 0.10 0.66 -0.51 -0.50 0.00 0.00 175.29 175.04 1dp0 s LEU 694 N 0.76 4.52 -0.02 3.68 1.43 -0.28 -2.19 118.68 126.58 1dp0 s LEU 694 Ca 0.00 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1dp0 s LEU 694 Cb -0.14 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1dp0 s LEU 694 CO 0.02 0.21 -0.15 0.26 0.23 0.00 0.00 176.35 176.93 1dp0 s TRP 695 N -1.20 1.36 -0.19 0.29 0.52 -0.07 -0.19 118.94 119.46 1dp0 s TRP 695 Ca 0.33 -0.30 -0.07 0.00 0.02 0.00 0.00 56.10 56.09 1dp0 s TRP 695 Cb -0.20 -0.90 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 1dp0 s TRP 695 CO 0.22 -0.06 0.05 -1.17 0.02 0.00 0.00 176.95 176.00 1dp0 s LEU 696 N -0.19 3.64 -0.03 2.99 2.96 -0.03 -1.52 118.68 126.50 1dp0 s LEU 696 Ca 0.02 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 1dp0 s LEU 696 Cb -0.07 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1dp0 s LEU 696 CO 0.00 0.13 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.02 1dp0 s THR 697 N 0.64 2.01 0.13 3.68 2.01 -0.30 -1.04 115.64 122.77 1dp0 s THR 697 Ca 0.02 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 61.02 1dp0 s THR 697 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1dp0 s THR 697 CO 0.02 0.57 -0.18 0.68 -0.69 0.00 0.00 174.62 175.02 1dp0 s VAL 698 N -0.50 1.59 0.01 3.82 -7.23 0.01 -1.59 120.40 116.51 1dp0 s VAL 698 Ca 0.07 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1dp0 s VAL 698 Cb -0.11 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 1dp0 s VAL 698 CO 0.00 -0.26 0.07 -0.13 -0.31 0.00 0.00 175.10 174.48 1dp0 s ARG 699 N -2.39 0.40 -0.26 4.82 0.52 -0.01 -1.91 118.95 120.12 1dp0 s ARG 699 Ca 0.09 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 1dp0 s ARG 699 Cb -0.07 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 1dp0 s ARG 699 CO 0.05 -0.08 0.09 0.08 0.02 0.00 0.00 175.30 175.45 1dp0 s VAL 700 N -1.31 4.42 -0.02 3.52 1.01 0.47 -0.67 120.40 127.81 1dp0 s VAL 700 Ca -0.14 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1dp0 s VAL 700 Cb -0.08 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1dp0 s VAL 700 CO 0.01 0.28 -0.17 -0.69 0.00 0.00 0.00 175.10 174.53 1dp0 s VAL 701 N 1.62 2.85 -0.37 2.92 1.01 0.39 -0.62 120.40 128.20 1dp0 s VAL 701 Ca 0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1dp0 s VAL 701 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1dp0 s VAL 701 CO 0.05 0.53 0.25 -1.10 0.00 0.00 0.00 175.10 174.83 1dp0 s GLN 702 N -0.88 3.23 0.35 2.72 -0.21 0.15 -1.08 119.66 123.93 1dp0 s GLN 702 Ca 0.12 -0.83 0.13 0.00 0.02 0.00 0.00 55.36 54.79 1dp0 s GLN 702 Cb -0.10 -3.85 0.63 0.00 1.00 0.00 0.00 33.01 30.69 1dp0 s GLN 702 CO 0.01 -0.58 1.77 -1.35 -2.12 0.00 0.00 175.29 173.02 1dp0 h PRO 703 N 8.53 0.00 -6.09 2.91 0.11 -1.89 0.21 132.00 135.78 1dp0 h PRO 703 Ca -0.29 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.17 1dp0 h PRO 703 Cb 1.14 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 1dp0 h PRO 703 CO 0.67 0.44 -0.59 -0.80 -0.21 0.00 0.00 178.00 177.51 1dp0 s ASN 704 N -6.88 5.59 0.71 -2.05 0.02 -1.26 -3.93 114.94 107.15 1dp0 s ASN 704 Ca -0.02 0.07 -0.13 0.00 -1.02 0.00 0.00 52.86 51.76 1dp0 s ASN 704 Cb 0.14 -1.56 0.03 0.00 0.02 0.00 0.00 41.25 39.88 1dp0 s ASN 704 CO 0.73 0.23 1.12 0.00 0.02 0.00 0.00 177.10 179.20 1dp0 s ALA 705 N -1.28 2.32 0.19 0.60 0.00 -1.26 -4.43 121.76 117.90 1dp0 s ALA 705 Ca 0.26 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.75 1dp0 s ALA 705 Cb -0.12 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1dp0 s ALA 705 CO 0.17 -1.55 0.08 0.25 0.00 0.00 0.00 175.76 174.71 1dp0 n THR 706 N -2.85 0.00 0.30 0.00 -2.24 0.60 -4.88 114.28 105.21 1dp0 n THR 706 Ca 0.10 -1.14 0.14 0.00 -2.27 0.00 0.00 64.05 60.88 1dp0 n THR 706 Cb 0.52 0.45 0.66 0.00 -2.10 0.00 0.00 70.33 69.86 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 1.36 1.00 0.00 6.98 0.00 -2.00 -3.19 119.26 123.42 1dp0 h ALA 707 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dp0 h ALA 707 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dp0 h ALA 707 CO 0.22 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.80 1dp0 n TRP 708 N -2.54 0.00 -3.68 0.00 4.27 -1.26 -5.06 117.44 109.17 1dp0 n TRP 708 Ca 0.00 -0.06 -0.10 0.00 -3.89 0.00 0.00 57.50 53.45 1dp0 n TRP 708 Cb 0.17 -0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 30.07 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 -0.12 -0.21 0.36 -0.67 1.04 -1.21 -4.64 113.70 108.25 1dp0 s SER 709 Ca 0.00 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1dp0 s SER 709 Cb 0.00 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1dp0 s SER 709 CO 0.00 -0.89 0.56 -1.61 0.98 0.00 0.00 173.24 172.29 1dp0 s GLU 710 N -3.83 3.44 0.43 4.02 2.02 -1.26 -0.29 118.70 123.23 1dp0 s GLU 710 Ca 0.05 -0.35 -0.26 0.00 0.02 0.00 0.00 54.97 54.43 1dp0 s GLU 710 Cb 0.02 -2.65 -0.09 0.00 0.10 0.00 0.00 34.13 31.50 1dp0 s GLU 710 CO -0.09 0.10 1.44 0.00 0.02 0.00 0.00 175.26 176.73 1dp0 n ALA 711 N -1.82 2.10 -0.18 5.21 0.00 -1.26 -1.74 120.51 122.82 1dp0 n ALA 711 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1dp0 n ALA 711 Cb 0.56 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 0.55 0.89 3.65 0.00 0.00 0.74 -4.92 105.19 106.11 1dp0 n GLY 712 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 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 2.05 -3.42 1.61 -0.00 -0.71 -4.57 115.22 108.18 1dp0 n HIS 713 Ca 0.00 0.38 -0.38 0.00 0.46 0.00 0.00 57.72 58.18 1dp0 n HIS 713 Cb 0.00 -2.48 -0.08 0.00 -0.12 0.00 0.00 29.99 27.31 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 0.70 5.21 -0.65 3.57 1.01 -1.26 -0.68 121.20 129.10 1dp0 s ILE 714 Ca 0.79 0.60 0.14 0.00 0.00 0.00 0.00 60.65 62.18 1dp0 s ILE 714 Cb -0.75 -3.69 -0.15 0.00 0.01 0.00 0.00 42.46 37.88 1dp0 s ILE 714 CO 0.41 0.23 0.58 -1.54 0.00 0.00 0.00 174.94 174.63 1dp0 n SER 715 N 4.74 0.65 -3.51 3.58 3.41 0.21 -5.02 113.62 117.69 1dp0 n SER 715 Ca -0.09 -0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 57.58 1dp0 n SER 715 Cb 0.51 1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.30 -1.80 0.19 7.33 0.00 -1.23 -4.68 121.76 119.27 1dp0 s ALA 716 Ca 0.05 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 1dp0 s ALA 716 Cb 0.10 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1dp0 s ALA 716 CO 0.57 -0.53 0.54 1.67 0.00 0.00 0.00 175.76 178.01 1dp0 s TRP 717 N -2.24 -0.18 -0.01 0.00 -2.14 -1.26 -0.40 118.94 112.72 1dp0 s TRP 717 Ca -0.01 -0.16 -0.29 0.00 2.66 0.00 0.00 56.10 58.30 1dp0 s TRP 717 Cb -0.01 0.43 0.08 0.00 -3.10 0.00 0.00 33.47 30.87 1dp0 s TRP 717 CO -0.02 -0.92 0.72 -1.14 -2.66 0.00 0.00 176.95 172.93 1dp0 s GLN 718 N -3.86 1.03 0.11 3.25 2.00 -0.80 -4.99 119.66 116.40 1dp0 s GLN 718 Ca 0.08 0.02 0.03 0.00 -2.00 0.00 0.00 55.36 53.50 1dp0 s GLN 718 Cb -0.01 0.48 -0.04 0.00 0.80 0.00 0.00 33.01 34.24 1dp0 s GLN 718 CO -0.04 -0.37 -0.09 -0.65 -0.50 0.00 0.00 175.29 173.65 1dp0 s GLN 719 N -1.95 0.91 0.00 1.67 -0.21 -1.26 -0.81 119.66 118.02 1dp0 s GLN 719 Ca -0.06 -1.33 -0.07 0.00 0.02 0.00 0.00 55.36 53.93 1dp0 s GLN 719 Cb -0.00 -0.43 0.00 0.00 1.00 0.00 0.00 33.01 33.58 1dp0 s GLN 719 CO 0.02 0.04 0.13 -1.58 -2.12 0.00 0.00 175.29 171.78 1dp0 s TRP 720 N -3.21 0.05 0.23 0.91 0.51 -0.20 -4.99 118.94 112.24 1dp0 s TRP 720 Ca 0.12 -0.16 -0.26 0.00 -2.12 0.00 0.00 56.10 53.69 1dp0 s TRP 720 Cb 0.02 -0.05 -0.09 0.00 -0.81 0.00 0.00 33.47 32.54 1dp0 s TRP 720 CO -0.02 -0.29 0.85 1.03 -0.51 0.00 0.00 176.95 178.01 1dp0 s ARG 721 N -1.42 4.59 0.00 4.98 0.52 -1.26 -0.86 118.95 125.50 1dp0 s ARG 721 Ca -0.15 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.30 1dp0 s ARG 721 Cb -0.08 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1dp0 s ARG 721 CO 0.01 0.45 0.00 1.28 0.02 0.00 0.00 175.30 177.07 1dp0 n LEU 722 N 1.15 0.00 -4.72 2.53 4.77 0.74 -4.89 117.00 116.59 1dp0 n LEU 722 Ca -0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 1dp0 n LEU 722 Cb 0.49 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 1dp0 n LEU 722 CO 0.46 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.34 1dp0 s ALA 723 N -2.54 2.10 -0.00 -1.18 0.00 -1.26 -4.59 121.76 114.29 1dp0 s ALA 723 Ca 0.00 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1dp0 s ALA 723 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1dp0 s ALA 723 CO 0.00 -1.93 -0.14 -2.00 0.00 0.00 0.00 175.76 171.70 1dp0 s GLU 724 N -3.84 1.10 -0.28 0.00 2.12 -1.26 -1.13 118.70 115.42 1dp0 s GLU 724 Ca 0.76 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 55.59 1dp0 s GLU 724 Cb -0.31 -1.07 0.07 0.00 0.26 0.00 0.00 34.13 33.08 1dp0 s GLU 724 CO 0.45 0.29 -0.05 -0.80 -0.54 0.00 0.00 175.26 174.62 1dp0 s ASN 725 N -0.42 4.43 0.47 -1.70 0.01 -0.11 -4.98 114.94 112.65 1dp0 s ASN 725 Ca 0.05 -1.59 -0.23 0.00 -0.71 0.00 0.00 52.86 50.38 1dp0 s ASN 725 Cb -0.06 -1.49 -0.07 0.00 0.41 0.00 0.00 41.25 40.04 1dp0 s ASN 725 CO -0.00 -0.26 1.19 -0.76 -1.51 0.00 0.00 177.10 175.76 1dp0 s LEU 726 N 1.11 4.01 -0.07 0.60 1.43 -1.26 -1.25 118.68 123.23 1dp0 s LEU 726 Ca -0.02 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.15 1dp0 s LEU 726 Cb -0.19 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 1dp0 s LEU 726 CO -0.07 -0.98 1.06 -0.55 0.23 0.00 0.00 176.35 176.04 1dp0 s SER 727 N -1.29 7.21 -0.06 2.29 0.15 -1.26 -4.87 113.70 115.87 1dp0 s SER 727 Ca 0.64 1.63 0.09 0.00 0.70 0.00 0.00 55.95 59.02 1dp0 s SER 727 Cb -0.30 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.59 1dp0 s SER 727 CO 0.37 -0.46 1.08 1.33 1.20 0.00 0.00 173.24 176.75 1dp0 n VAL 728 N 4.47 1.43 -3.29 4.45 0.24 -1.26 -5.01 118.33 119.36 1dp0 n VAL 728 Ca 0.09 -1.60 -0.41 0.00 -2.04 0.00 0.00 64.34 60.38 1dp0 n VAL 728 Cb 0.48 0.15 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 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 -1.89 5.07 0.09 3.34 -4.23 -1.26 -5.00 115.64 111.76 1dp0 s THR 729 Ca 0.15 0.32 -0.34 0.00 -1.18 0.00 0.00 61.69 60.64 1dp0 s THR 729 Cb 0.13 -3.90 -0.14 0.00 1.34 0.00 0.00 72.50 69.93 1dp0 s THR 729 CO 0.02 -0.14 1.63 0.18 -0.54 0.00 0.00 174.62 175.76 1dp0 n LEU 730 N 5.62 3.05 0.00 4.79 4.32 -1.26 -4.94 117.00 128.57 1dp0 n LEU 730 Ca -0.06 1.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.99 1dp0 n LEU 730 Cb 0.49 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1dp0 n LEU 730 CO 0.43 -0.30 0.34 -0.81 -1.22 0.00 0.00 177.39 175.83 1dp0 n PRO 731 N 4.09 0.00 0.00 3.23 -0.04 -1.26 -5.02 135.00 136.00 1dp0 n PRO 731 Ca 0.18 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1dp0 n PRO 731 Cb 0.28 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1dp0 n PRO 731 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dp0 n ALA 732 N -1.59 0.00 -1.67 0.55 0.00 -1.26 -5.13 120.51 111.41 1dp0 n ALA 732 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.88 1dp0 n ALA 732 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1dp0 n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dp0 n ALA 733 N 0.00 -0.67 -1.83 0.00 0.00 -1.26 -4.86 120.51 111.90 1dp0 n ALA 733 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 1dp0 n ALA 733 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1dp0 n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dp0 s SER 734 N 2.37 6.68 0.46 0.00 1.04 -1.26 -4.92 113.70 118.06 1dp0 s SER 734 Ca 0.94 2.71 0.13 0.00 0.48 0.00 0.00 55.95 60.21 1dp0 s SER 734 Cb -1.07 -2.64 1.03 0.00 0.10 0.00 0.00 66.02 63.45 1dp0 s SER 734 CO 0.60 -0.65 2.04 0.45 0.98 0.00 0.00 173.24 176.67 1dp0 h HIS 735 N 4.15 0.13 -4.58 5.02 3.86 -1.89 -3.46 115.15 118.37 1dp0 h HIS 735 Ca -0.48 -0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.48 1dp0 h HIS 735 Cb 1.22 -0.04 -0.15 0.00 1.06 0.00 0.00 27.41 29.51 1dp0 h HIS 735 CO 0.58 0.18 -0.59 0.00 0.86 0.00 0.00 177.93 178.95 1dp0 s ALA 736 N -4.94 1.18 -0.12 2.45 0.00 -1.26 -5.16 121.76 113.91 1dp0 s ALA 736 Ca -0.05 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.23 1dp0 s ALA 736 Cb 0.16 1.39 0.01 0.00 0.00 0.00 0.00 23.12 24.68 1dp0 s ALA 736 CO 0.70 -0.61 -0.22 -1.50 0.00 0.00 0.00 175.76 174.13 1dp0 s ILE 737 N -4.09 2.00 0.65 0.00 2.07 -1.26 -4.04 121.20 116.53 1dp0 s ILE 737 Ca 0.39 -0.96 -0.17 0.00 -1.41 0.00 0.00 60.65 58.50 1dp0 s ILE 737 Cb 0.06 -1.75 -0.00 0.00 0.13 0.00 0.00 42.46 40.90 1dp0 s ILE 737 CO 0.13 0.54 1.18 -2.84 -1.91 0.00 0.00 174.94 172.04 1dp0 s PRO 738 N 0.62 2.68 -0.04 3.50 0.02 -1.26 -4.96 135.00 135.57 1dp0 s PRO 738 Ca -0.12 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.59 1dp0 s PRO 738 Cb -0.17 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 1dp0 s PRO 738 CO 0.03 -1.40 -0.03 -1.58 -0.33 0.00 0.00 177.00 173.69 1dp0 s HIS 739 N -1.92 3.02 -0.21 6.54 2.46 -0.03 -4.77 115.29 120.38 1dp0 s HIS 739 Ca 0.74 0.07 -0.07 0.00 0.47 0.00 0.00 55.06 56.26 1dp0 s HIS 739 Cb -0.27 -1.70 -0.03 0.00 -0.13 0.00 0.00 32.58 30.45 1dp0 s HIS 739 CO 0.39 0.41 0.06 -1.17 -2.47 0.00 0.00 174.74 171.95 1dp0 s LEU 740 N -1.16 3.58 -0.29 8.88 2.96 -1.26 -0.99 118.68 130.40 1dp0 s LEU 740 Ca 0.16 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1dp0 s LEU 740 Cb -0.11 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1dp0 s LEU 740 CO 0.05 0.07 0.08 -0.89 -1.32 0.00 0.00 176.35 174.35 1dp0 s THR 741 N 1.00 4.09 -0.12 3.68 2.01 0.14 -4.99 115.64 121.46 1dp0 s THR 741 Ca 0.04 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1dp0 s THR 741 Cb -0.14 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1dp0 s THR 741 CO 0.03 0.14 0.05 -0.89 -0.69 0.00 0.00 174.62 173.25 1dp0 s THR 742 N 1.54 4.74 0.24 -0.82 2.01 -1.26 -1.79 115.64 120.29 1dp0 s THR 742 Ca 0.04 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1dp0 s THR 742 Cb -0.17 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1dp0 s THR 742 CO 0.03 0.58 0.11 -0.94 -0.69 0.00 0.00 174.62 173.70 1dp0 s SER 743 N -0.64 0.89 0.18 3.53 1.04 -0.45 -5.02 113.70 113.22 1dp0 s SER 743 Ca 0.11 -1.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.02 1dp0 s SER 743 Cb -0.12 0.23 0.15 0.00 0.10 0.00 0.00 66.02 66.38 1dp0 s SER 743 CO 0.02 -0.76 1.74 -0.33 0.98 0.00 0.00 173.24 174.89 1dp0 h GLU 744 N 2.45 0.31 -0.01 4.02 4.39 -2.03 -3.09 114.58 120.62 1dp0 h GLU 744 Ca -0.38 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1dp0 h GLU 744 Cb 1.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1dp0 h GLU 744 CO 0.59 0.20 -0.48 0.00 -1.16 0.00 0.00 179.01 178.16 1dp0 n MET 745 N -5.03 1.08 -3.78 2.33 0.00 -1.26 -4.82 117.12 105.65 1dp0 n MET 745 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 57.70 56.77 1dp0 n MET 745 Cb 0.19 -1.48 -0.07 0.00 0.00 0.00 0.00 33.22 31.86 1dp0 n MET 745 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1dp0 s ASP 746 N -2.52 -0.05 -0.21 3.17 1.01 -1.17 -0.20 116.67 116.70 1dp0 s ASP 746 Ca 0.19 -0.35 -0.02 0.00 0.71 0.00 0.00 52.55 53.07 1dp0 s ASP 746 Cb 0.18 0.36 0.01 0.00 1.01 0.00 0.00 42.92 44.48 1dp0 s ASP 746 CO 0.58 -0.67 -0.09 -0.36 0.21 0.00 0.00 175.17 174.84 1dp0 s PHE 747 N -3.08 2.93 0.00 4.23 2.99 -0.00 -1.34 117.98 123.70 1dp0 s PHE 747 Ca -0.01 -1.25 0.05 0.00 0.00 0.00 0.00 56.93 55.72 1dp0 s PHE 747 Cb 0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 43.02 40.96 1dp0 s PHE 747 CO -0.07 -0.66 -0.15 0.00 -0.00 0.00 0.00 175.22 174.34 1dp0 s ILE 749 N -0.85 1.56 -0.02 0.00 1.09 0.02 -0.68 121.20 122.32 1dp0 s ILE 749 Ca 0.14 -0.78 0.07 0.00 -1.10 0.00 0.00 60.65 58.97 1dp0 s ILE 749 Cb -0.11 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 39.94 1dp0 s ILE 749 CO 0.04 0.44 -0.22 -1.61 -0.10 0.00 0.00 174.94 173.49 1dp0 s GLU 750 N 0.05 1.78 -0.24 2.79 8.01 -0.16 -1.28 118.70 129.65 1dp0 s GLU 750 Ca -0.05 -0.79 -0.03 0.00 0.01 0.00 0.00 54.97 54.12 1dp0 s GLU 750 Cb -0.12 -1.72 0.12 0.00 -4.31 0.00 0.00 34.13 28.09 1dp0 s GLU 750 CO 0.03 0.47 0.30 -1.17 0.01 0.00 0.00 175.26 174.90 1dp0 s LEU 751 N -0.52 -0.37 0.00 1.80 2.96 -0.14 -0.85 118.68 121.56 1dp0 s LEU 751 Ca 0.08 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1dp0 s LEU 751 Cb -0.08 0.73 0.00 0.00 0.50 0.00 0.00 46.19 47.33 1dp0 s LEU 751 CO -0.01 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1dp0 n GLY 752 N 5.34 2.66 1.44 7.98 0.00 -1.26 -1.83 105.19 119.52 1dp0 n GLY 752 Ca -0.04 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 4.07 4.21 -4.60 1.61 6.94 -1.26 -4.92 115.26 121.30 1dp0 n ASN 753 Ca 0.00 -2.59 -0.29 0.00 -0.02 0.00 0.00 54.58 51.68 1dp0 n ASN 753 Cb 0.00 -0.61 -0.09 0.00 -2.36 0.00 0.00 39.78 36.72 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 -2.15 2.21 -0.03 -3.83 1.02 -0.76 0.54 119.74 116.73 1dp0 s LYS 754 Ca 0.38 -1.05 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 1dp0 s LYS 754 Cb 0.28 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1dp0 s LYS 754 CO 0.12 0.49 0.13 0.50 -0.92 0.00 0.00 175.35 175.67 1dp0 s ARG 755 N -2.44 0.29 0.03 1.68 3.52 -0.86 -0.97 118.95 120.19 1dp0 s ARG 755 Ca 0.23 -0.07 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 1dp0 s ARG 755 Cb -0.10 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.39 1dp0 s ARG 755 CO 0.15 -0.05 -0.17 -1.58 -0.81 0.00 0.00 175.30 172.84 1dp0 s TRP 756 N -0.54 1.50 -0.10 5.12 0.51 -0.41 -0.61 118.94 124.41 1dp0 s TRP 756 Ca -0.06 -0.34 0.01 0.00 -2.12 0.00 0.00 56.10 53.59 1dp0 s TRP 756 Cb -0.04 -0.91 0.02 0.00 -0.81 0.00 0.00 33.47 31.73 1dp0 s TRP 756 CO 0.01 0.04 -0.11 -1.14 -0.51 0.00 0.00 176.95 175.23 1dp0 s GLN 757 N -0.94 1.82 -0.26 4.98 0.74 -0.18 -0.80 119.66 125.02 1dp0 s GLN 757 Ca 0.05 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 55.00 1dp0 s GLN 757 Cb -0.08 -1.66 0.00 0.00 1.10 0.00 0.00 33.01 32.37 1dp0 s GLN 757 CO 0.01 -0.13 0.03 -0.06 -0.55 0.00 0.00 175.29 174.59 1dp0 s PHE 758 N 1.22 3.08 -0.05 1.67 0.40 0.98 -0.63 117.98 124.66 1dp0 s PHE 758 Ca -0.03 -0.96 -0.30 0.00 -0.60 0.00 0.00 56.93 55.04 1dp0 s PHE 758 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1dp0 s PHE 758 CO -0.04 -0.56 1.18 1.21 0.70 0.00 0.00 175.22 177.72 1dp0 s ASN 759 N 1.49 7.08 0.52 1.36 3.84 -0.63 -0.82 114.94 127.78 1dp0 s ASN 759 Ca 0.04 1.80 0.30 0.00 0.21 0.00 0.00 52.86 55.21 1dp0 s ASN 759 Cb -0.16 -2.56 1.27 0.00 -0.55 0.00 0.00 41.25 39.25 1dp0 s ASN 759 CO 0.00 -0.55 1.96 0.03 -2.79 0.00 0.00 177.10 175.75 1dp0 h ARG 760 N 7.35 0.00 0.02 0.43 3.08 -0.90 0.23 114.38 124.60 1dp0 h ARG 760 Ca -0.35 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.39 1dp0 h ARG 760 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 1dp0 h ARG 760 CO 0.87 0.09 -1.84 1.04 -1.07 0.00 0.00 179.97 179.05 1dp0 n GLN 761 N -3.24 0.66 -0.02 0.04 6.02 -1.26 -4.38 117.38 115.20 1dp0 n GLN 761 Ca 0.00 0.26 -0.12 0.00 -0.01 0.00 0.00 57.00 57.13 1dp0 n GLN 761 Cb 0.33 -1.75 -0.14 0.00 1.02 0.00 0.00 30.24 29.70 1dp0 n GLN 761 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1dp0 n SER 762 N -3.10 1.11 0.00 1.08 3.41 -1.21 -4.75 113.62 110.16 1dp0 n SER 762 Ca -0.22 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1dp0 n SER 762 Cb 1.06 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1dp0 n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dp0 n GLY 763 N 1.68 0.49 3.52 5.00 0.00 0.82 -4.79 105.19 111.91 1dp0 n GLY 763 Ca -0.22 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 2.41 -0.44 1.61 0.40 -1.25 -4.93 117.98 113.79 1dp0 s PHE 764 Ca 0.00 -0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 55.75 1dp0 s PHE 764 Cb 0.00 -1.06 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 1dp0 s PHE 764 CO 0.00 0.68 1.67 -1.17 0.70 0.00 0.00 175.22 177.10 1dp0 s LEU 765 N -3.51 3.46 0.05 -0.37 2.96 -1.26 -1.60 118.68 118.41 1dp0 s LEU 765 Ca 0.30 0.84 0.22 0.00 -0.22 0.00 0.00 54.13 55.28 1dp0 s LEU 765 Cb -0.06 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.33 1dp0 s LEU 765 CO 0.16 -1.79 0.90 -1.54 -1.32 0.00 0.00 176.35 172.76 1dp0 n SER 766 N 10.40 0.55 -3.58 3.68 3.41 0.20 -2.02 113.62 126.26 1dp0 n SER 766 Ca 0.19 -0.18 -0.17 0.00 -0.26 0.00 0.00 58.87 58.46 1dp0 n SER 766 Cb 0.49 1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 65.39 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 -3.26 0.95 -0.06 4.33 2.00 -1.18 -4.43 119.66 118.00 1dp0 s GLN 767 Ca 0.01 0.26 -0.05 0.00 -2.00 0.00 0.00 55.36 53.58 1dp0 s GLN 767 Cb 0.14 0.45 0.02 0.00 0.80 0.00 0.00 33.01 34.42 1dp0 s GLN 767 CO 0.83 -0.27 0.15 1.41 -0.50 0.00 0.00 175.29 176.91 1dp0 s MET 768 N -1.02 0.16 0.02 1.67 -2.45 -1.26 -1.01 119.30 115.41 1dp0 s MET 768 Ca -0.10 0.26 0.07 0.00 -1.25 0.00 0.00 55.69 54.66 1dp0 s MET 768 Cb -0.02 0.03 -0.02 0.00 1.25 0.00 0.00 34.83 36.07 1dp0 s MET 768 CO 0.08 -0.06 -0.20 -1.58 1.05 0.00 0.00 175.02 174.31 1dp0 s TRP 769 N 0.34 1.78 -0.39 4.11 0.51 0.22 -0.12 118.94 125.39 1dp0 s TRP 769 Ca -0.02 -0.36 -0.08 0.00 -2.12 0.00 0.00 56.10 53.52 1dp0 s TRP 769 Cb -0.03 -1.09 0.07 0.00 -0.81 0.00 0.00 33.47 31.60 1dp0 s TRP 769 CO -0.01 0.04 0.20 0.42 -0.51 0.00 0.00 176.95 177.09 1dp0 s ILE 770 N -0.67 3.98 0.00 2.03 1.01 -0.37 -2.04 121.20 125.15 1dp0 s ILE 770 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1dp0 s ILE 770 Cb -0.08 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1dp0 s ILE 770 CO 0.01 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.13 1dp0 n GLY 771 N 4.85 1.83 1.44 6.18 0.00 0.19 -0.92 105.19 118.76 1dp0 n GLY 771 Ca -0.10 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.53 1dp0 n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dp0 n ASP 772 N 4.87 4.24 -4.61 1.61 5.68 -1.26 -4.90 116.55 122.18 1dp0 n ASP 772 Ca 0.00 -2.29 -0.39 0.00 -0.50 0.00 0.00 54.79 51.61 1dp0 n ASP 772 Cb 0.00 -0.53 -0.09 0.00 -1.14 0.00 0.00 41.12 39.36 1dp0 n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1dp0 s LYS 773 N -1.61 4.03 0.37 0.11 -0.14 -0.10 -5.07 119.74 117.34 1dp0 s LYS 773 Ca 0.47 0.04 -0.27 0.00 -1.36 0.00 0.00 55.97 54.85 1dp0 s LYS 773 Cb 0.29 -3.64 -0.09 0.00 -1.68 0.00 0.00 37.83 32.70 1dp0 s LYS 773 CO 0.25 -0.25 1.24 0.15 -0.76 0.00 0.00 175.35 175.99 1dp0 s LYS 774 N 1.98 4.17 -0.00 1.68 1.02 -1.26 -1.23 119.74 126.10 1dp0 s LYS 774 Ca 0.15 2.04 0.12 0.00 0.02 0.00 0.00 55.97 58.30 1dp0 s LYS 774 Cb -0.16 -2.86 -0.14 0.00 -0.52 0.00 0.00 37.83 34.15 1dp0 s LYS 774 CO 0.10 -0.28 0.50 1.04 -0.92 0.00 0.00 175.35 175.78 1dp0 n GLN 775 N 0.40 2.68 -4.46 1.68 1.13 0.83 -4.76 117.38 114.88 1dp0 n GLN 775 Ca 0.02 -0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.78 1dp0 n GLN 775 Cb 0.44 -1.10 -0.12 0.00 0.11 0.00 0.00 30.24 29.56 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 -2.71 2.50 -0.10 1.08 1.43 -1.26 -0.38 118.68 119.24 1dp0 s LEU 776 Ca 0.04 -0.60 0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1dp0 s LEU 776 Cb 0.09 -1.41 -0.17 0.00 0.03 0.00 0.00 46.19 44.73 1dp0 s LEU 776 CO 0.51 0.20 0.10 0.18 0.23 0.00 0.00 176.35 177.57 1dp0 n LEU 777 N 1.08 0.00 -4.01 1.79 4.77 0.13 -4.68 117.00 116.08 1dp0 n LEU 777 Ca -0.17 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1dp0 n LEU 777 Cb 0.53 0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1dp0 n LEU 777 CO 0.26 0.25 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.28 1dp0 s THR 778 N -2.45 0.43 1.01 -5.08 2.01 -1.09 -4.94 115.64 105.54 1dp0 s THR 778 Ca -0.06 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1dp0 s THR 778 Cb 0.05 -0.46 0.20 0.00 0.01 0.00 0.00 72.50 72.30 1dp0 s THR 778 CO 0.54 -0.19 1.10 -2.84 -0.69 0.00 0.00 174.62 172.54 1dp0 s PRO 779 N -0.96 0.27 -0.39 4.92 0.02 -1.26 -3.70 135.00 133.90 1dp0 s PRO 779 Ca -0.06 1.28 -0.25 0.00 0.02 0.00 0.00 61.00 61.99 1dp0 s PRO 779 Cb -0.07 -1.66 0.02 0.00 0.02 0.00 0.00 34.50 32.81 1dp0 s PRO 779 CO 0.00 -3.06 0.89 -1.17 -0.33 0.00 0.00 177.00 173.33 1dp0 s LEU 780 N -6.84 4.03 0.08 -5.54 2.96 -0.85 -4.51 118.68 108.01 1dp0 s LEU 780 Ca 0.67 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 1dp0 s LEU 780 Cb -0.24 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 1dp0 s LEU 780 CO 0.61 -0.87 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.52 1dp0 s ARG 781 N 3.45 0.79 0.75 1.98 0.52 -0.37 -4.19 118.95 121.89 1dp0 s ARG 781 Ca 0.36 -1.05 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 1dp0 s ARG 781 Cb -0.12 -0.58 0.05 0.00 0.52 0.00 0.00 34.95 34.83 1dp0 s ARG 781 CO 0.20 0.10 1.16 -0.51 0.02 0.00 0.00 175.30 176.28 1dp0 s ASP 782 N -2.13 4.18 -0.05 0.23 1.11 -1.26 -0.43 116.67 118.31 1dp0 s ASP 782 Ca 0.01 2.19 -0.02 0.00 0.18 0.00 0.00 52.55 54.91 1dp0 s ASP 782 Cb -0.06 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.40 1dp0 s ASP 782 CO 0.01 -2.27 0.11 -1.58 1.18 0.00 0.00 175.17 172.62 1dp0 s GLN 783 N -4.20 0.06 0.00 8.23 0.74 0.38 -4.74 119.66 120.13 1dp0 s GLN 783 Ca 0.70 0.30 0.00 0.00 0.05 0.00 0.00 55.36 56.40 1dp0 s GLN 783 Cb -0.25 -0.17 0.00 0.00 1.10 0.00 0.00 33.01 33.69 1dp0 s GLN 783 CO 0.48 -0.15 0.82 1.19 -0.55 0.00 0.00 175.29 177.08 1dp0 n PHE 784 N 4.07 0.00 -4.38 1.67 3.01 -1.26 -2.04 117.46 118.53 1dp0 n PHE 784 Ca -0.25 -0.33 -0.19 0.00 1.01 0.00 0.00 57.45 57.69 1dp0 n PHE 784 Cb 0.52 -0.03 -0.10 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.66 1.18 0.09 4.37 -4.23 -1.26 -3.16 115.64 111.96 1dp0 s THR 785 Ca 0.00 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1dp0 s THR 785 Cb 0.00 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1dp0 s THR 785 CO 0.00 -0.23 -0.09 0.00 -0.54 0.00 0.00 174.62 173.76 1dp0 s ARG 786 N -3.85 0.78 -0.00 3.99 1.70 -1.26 -4.77 118.95 115.53 1dp0 s ARG 786 Ca 0.31 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 1dp0 s ARG 786 Cb 0.06 -0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 33.99 1dp0 s ARG 786 CO 0.11 0.04 1.71 0.00 -1.08 0.00 0.00 175.30 176.08 1dp0 s ALA 787 N -2.60 3.63 0.28 7.88 0.00 -1.26 -4.86 121.76 124.83 1dp0 s ALA 787 Ca 0.04 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1dp0 s ALA 787 Cb -0.02 -3.75 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 1dp0 s ALA 787 CO -0.01 -1.34 1.59 -0.35 0.00 0.00 0.00 175.76 175.64 1dp0 n PRO 788 N 6.78 2.64 -1.65 0.00 -0.04 -1.26 -1.49 135.00 139.97 1dp0 n PRO 788 Ca 0.17 0.94 -0.30 0.00 -0.04 0.00 0.00 63.50 64.27 1dp0 n PRO 788 Cb 0.42 -2.71 0.08 0.00 -0.04 0.00 0.00 33.50 31.25 1dp0 n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dp0 s LEU 789 N -0.25 2.61 0.33 1.53 1.43 -1.26 -4.59 118.68 118.48 1dp0 s LEU 789 Ca 0.66 1.20 0.04 0.00 -1.03 0.00 0.00 54.13 55.00 1dp0 s LEU 789 Cb -0.51 -3.82 0.67 0.00 0.03 0.00 0.00 46.19 42.56 1dp0 s LEU 789 CO 0.47 -1.87 1.91 0.44 0.23 0.00 0.00 176.35 177.54 1dp0 h ASP 790 N -1.02 0.77 0.86 2.29 3.32 -1.87 0.21 116.42 120.98 1dp0 h ASP 790 Ca -0.47 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1dp0 h ASP 790 Cb 1.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1dp0 h ASP 790 CO 0.61 0.47 -0.22 0.78 -1.72 0.00 0.00 179.24 179.16 1dp0 h ASN 791 N 0.85 0.00 0.90 6.45 2.35 -1.85 -0.42 115.58 123.87 1dp0 h ASN 791 Ca 0.38 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.98 1dp0 h ASN 791 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1dp0 h ASN 791 CO -0.15 0.22 -0.72 0.44 -1.65 0.00 0.00 177.43 175.57 1dp0 h ASP 792 N 0.00 0.00 0.13 5.81 3.32 -1.30 -3.34 116.42 121.03 1dp0 h ASP 792 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1dp0 h ASP 792 Cb 0.71 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.27 1dp0 h ASP 792 CO 0.03 0.72 -1.04 0.40 -1.72 0.00 0.00 179.24 177.63 1dp0 h ILE 793 N 0.00 1.32 0.00 0.35 2.04 -0.81 0.27 117.51 120.68 1dp0 h ILE 793 Ca -0.01 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1dp0 h ILE 793 Cb 1.37 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 40.44 1dp0 h ILE 793 CO 0.09 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.55 1dp0 n GLY 794 N 1.69 2.73 0.94 5.37 0.00 -0.21 -1.76 105.19 113.95 1dp0 n GLY 794 Ca -0.18 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 0.52 -1.74 1.61 0.24 -1.26 -4.89 118.33 112.80 1dp0 n VAL 795 Ca 0.00 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.34 61.25 1dp0 n VAL 795 Cb 0.00 0.58 0.01 0.00 -1.47 0.00 0.00 33.84 32.96 1dp0 n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1dp0 n SER 796 N 1.04 3.15 -3.97 -1.34 2.88 -0.72 -4.79 113.62 109.86 1dp0 n SER 796 Ca 0.18 1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 58.79 1dp0 n SER 796 Cb 0.48 -1.56 -0.11 0.00 -0.75 0.00 0.00 64.21 62.27 1dp0 n SER 796 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1dp0 s GLU 797 N -2.17 0.29 0.49 -1.46 2.12 -0.37 -4.89 118.70 112.71 1dp0 s GLU 797 Ca 0.58 -0.57 0.20 0.00 0.36 0.00 0.00 54.97 55.54 1dp0 s GLU 797 Cb -0.50 0.09 1.24 0.00 0.26 0.00 0.00 34.13 35.22 1dp0 s GLU 797 CO 0.60 -0.04 2.01 0.00 -0.54 0.00 0.00 175.26 177.29 1dp0 h ALA 798 N 4.77 2.25 -0.00 6.30 0.00 -1.99 0.51 119.26 131.09 1dp0 h ALA 798 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1dp0 h ALA 798 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dp0 h ALA 798 CO 0.42 -0.38 -0.29 -2.37 0.00 0.00 0.00 179.25 176.63 1dp0 n THR 799 N -4.44 0.00 -2.74 0.00 5.66 -1.26 -4.54 114.28 106.97 1dp0 n THR 799 Ca 0.08 -0.05 -0.04 0.00 -3.05 0.00 0.00 64.05 60.99 1dp0 n THR 799 Cb 0.45 0.14 0.02 0.00 -1.55 0.00 0.00 70.33 69.39 1dp0 n THR 799 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1dp0 n ARG 800 N -1.12 0.43 -1.76 1.09 0.63 0.17 -5.14 116.66 110.96 1dp0 n ARG 800 Ca 0.10 -1.73 -0.41 0.00 -0.92 0.00 0.00 57.85 54.88 1dp0 n ARG 800 Cb 0.33 -1.08 -0.01 0.00 0.45 0.00 0.00 32.46 32.15 1dp0 n ARG 800 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1dp0 s ILE 801 N 0.89 2.01 -0.51 5.15 -1.09 -0.43 -1.24 121.20 125.98 1dp0 s ILE 801 Ca 0.28 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.60 1dp0 s ILE 801 Cb 0.03 -3.00 0.13 0.00 -1.58 0.00 0.00 42.46 38.04 1dp0 s ILE 801 CO -0.06 0.00 0.41 -0.62 -1.23 0.00 0.00 174.94 173.44 1dp0 s ASP 802 N 0.41 5.87 0.56 3.58 -1.08 -1.26 -4.84 116.67 119.91 1dp0 s ASP 802 Ca 0.62 -1.95 0.35 0.00 -0.52 0.00 0.00 52.55 51.05 1dp0 s ASP 802 Cb -0.48 -2.07 1.90 0.00 -1.46 0.00 0.00 42.92 40.81 1dp0 s ASP 802 CO 0.51 -0.72 2.06 1.55 0.52 0.00 0.00 175.17 179.09 1dp0 h PRO 803 N 8.49 0.00 0.00 4.34 0.13 -1.96 -2.04 132.00 140.97 1dp0 h PRO 803 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1dp0 h PRO 803 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1dp0 h PRO 803 CO 0.90 0.00 -0.25 -0.97 -0.23 0.00 0.00 178.00 177.46 1dp0 h ASN 804 N 0.00 0.00 -4.10 1.44 -0.00 -1.96 -3.36 115.58 107.60 1dp0 h ASN 804 Ca 0.00 -0.02 -0.54 0.00 -0.00 0.00 0.00 56.30 55.74 1dp0 h ASN 804 Cb 0.12 0.00 0.13 0.00 -0.00 0.00 0.00 38.32 38.57 1dp0 h ASN 804 CO 0.00 0.01 0.50 0.00 -0.00 0.00 0.00 177.43 177.94 1dp0 s ALA 805 N -3.21 2.51 0.21 1.57 0.00 -0.77 -4.75 121.76 117.32 1dp0 s ALA 805 Ca 0.06 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 1dp0 s ALA 805 Cb 0.08 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.92 1dp0 s ALA 805 CO 0.68 -1.33 1.83 -1.49 0.00 0.00 0.00 175.76 175.45 1dp0 h TRP 806 N 0.84 0.75 -0.66 0.00 4.06 -1.78 -1.20 115.95 117.97 1dp0 h TRP 806 Ca -0.51 0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.48 1dp0 h TRP 806 Cb 1.31 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 1dp0 h TRP 806 CO 0.45 0.40 0.43 -0.24 -3.56 0.00 0.00 178.44 175.92 1dp0 h VAL 807 N 0.77 1.16 -0.03 1.49 3.04 -1.29 -0.10 116.25 121.29 1dp0 h VAL 807 Ca 0.29 -0.30 -0.17 0.00 -1.01 0.00 0.00 66.70 65.52 1dp0 h VAL 807 Cb 0.11 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.58 1dp0 h VAL 807 CO -0.15 0.16 -0.73 -0.33 -1.01 0.00 0.00 177.57 175.52 1dp0 h GLU 808 N 0.88 0.19 -0.45 4.17 4.39 -1.60 0.22 114.58 122.37 1dp0 h GLU 808 Ca 0.24 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1dp0 h GLU 808 Cb -0.08 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1dp0 h GLU 808 CO -0.05 0.83 -0.01 0.00 -1.16 0.00 0.00 179.01 178.62 1dp0 h ARG 809 N 0.12 0.81 -0.41 2.33 3.08 -0.65 -0.58 114.38 119.08 1dp0 h ARG 809 Ca -0.02 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 1dp0 h ARG 809 Cb 1.29 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1dp0 h ARG 809 CO 0.11 0.88 0.02 -1.49 -1.07 0.00 0.00 179.97 178.42 1dp0 h TRP 810 N 0.66 0.76 -0.03 3.04 6.55 -0.80 -1.28 115.95 124.85 1dp0 h TRP 810 Ca 0.13 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1dp0 h TRP 810 Cb 0.52 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1dp0 h TRP 810 CO 0.04 0.76 0.02 0.87 -1.05 0.00 0.00 178.44 179.08 1dp0 h LYS 811 N 0.54 0.03 -0.54 0.49 1.57 -0.41 -1.63 116.57 116.64 1dp0 h LYS 811 Ca 0.12 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1dp0 h LYS 811 Cb 0.44 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1dp0 h LYS 811 CO 0.02 0.05 0.36 0.00 -0.57 0.00 0.00 179.45 179.30 1dp0 h ALA 812 N 0.99 1.78 0.00 3.86 0.00 -1.03 -0.16 119.26 124.70 1dp0 h ALA 812 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dp0 h ALA 812 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dp0 h ALA 812 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1dp0 n ALA 813 N -2.48 2.14 -0.56 0.00 0.00 -0.49 -4.90 120.51 114.22 1dp0 n ALA 813 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1dp0 n ALA 813 Cb 0.17 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.06 0.72 0.37 0.00 0.00 -0.07 -4.87 105.19 102.39 1dp0 n GLY 814 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 1.02 0.00 1.61 3.86 -1.49 0.36 115.15 120.50 1dp0 h HIS 815 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1dp0 h HIS 815 Cb 0.00 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1dp0 h HIS 815 CO 0.00 0.45 -0.23 0.66 0.86 0.00 0.00 177.93 179.67 1dp0 n TYR 816 N -4.55 0.46 0.43 2.45 4.02 -1.26 -3.88 117.16 114.83 1dp0 n TYR 816 Ca 0.16 0.13 0.07 0.00 -0.01 0.00 0.00 57.90 58.25 1dp0 n TYR 816 Cb 0.32 -0.65 -0.09 0.00 -0.02 0.00 0.00 39.34 38.90 1dp0 n TYR 816 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1dp0 n GLN 817 N -1.91 1.71 -1.68 -0.72 1.13 0.10 -5.02 117.38 110.98 1dp0 n GLN 817 Ca 0.05 -0.05 -0.44 0.00 -1.94 0.00 0.00 57.00 54.63 1dp0 n GLN 817 Cb 0.39 -1.22 -0.02 0.00 0.11 0.00 0.00 30.24 29.50 1dp0 n GLN 817 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dp0 n ALA 818 N -1.56 1.18 -2.40 -1.58 0.00 0.10 -5.00 120.51 111.25 1dp0 n ALA 818 Ca 0.01 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 1dp0 n ALA 818 Cb 0.27 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.33 1dp0 n ALA 818 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1dp0 s GLU 819 N -1.17 2.03 0.10 0.00 -1.05 -1.18 -4.88 118.70 112.55 1dp0 s GLU 819 Ca 0.61 -0.99 -0.31 0.00 -0.15 0.00 0.00 54.97 54.13 1dp0 s GLU 819 Cb -0.61 -2.12 -0.08 0.00 -0.44 0.00 0.00 34.13 30.88 1dp0 s GLU 819 CO 0.56 0.54 1.55 0.00 0.95 0.00 0.00 175.26 178.86 1dp0 s ALA 820 N -0.82 3.68 -0.17 -0.84 0.00 -1.26 -3.17 121.76 119.18 1dp0 s ALA 820 Ca 0.13 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 1dp0 s ALA 820 Cb -0.10 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1dp0 s ALA 820 CO 0.03 -0.89 -0.08 0.00 0.00 0.00 0.00 175.76 174.81 1dp0 s ALA 821 N 1.89 2.75 0.11 0.00 0.00 0.13 -4.95 121.76 121.68 1dp0 s ALA 821 Ca 0.70 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1dp0 s ALA 821 Cb -0.39 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 1dp0 s ALA 821 CO 0.31 -0.03 1.07 -1.17 0.00 0.00 0.00 175.76 175.93 1dp0 s LEU 822 N 0.81 4.45 -0.13 0.00 2.96 -1.26 -1.50 118.68 124.01 1dp0 s LEU 822 Ca -0.03 1.94 0.09 0.00 -0.22 0.00 0.00 54.13 55.90 1dp0 s LEU 822 Cb -0.15 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.81 1dp0 s LEU 822 CO 0.01 -0.24 0.00 0.18 -1.32 0.00 0.00 176.35 174.98 1dp0 n LEU 823 N 3.05 0.65 -3.60 -0.68 4.77 0.52 -4.93 117.00 116.78 1dp0 n LEU 823 Ca 0.04 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1dp0 n LEU 823 Cb 0.48 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1dp0 n LEU 823 CO 0.53 0.40 0.46 -1.58 -1.33 0.00 0.00 177.39 175.87 1dp0 s GLN 824 N -2.29 0.86 -0.29 3.23 0.74 -0.77 -4.90 119.66 116.24 1dp0 s GLN 824 Ca -0.09 0.76 -0.01 0.00 0.05 0.00 0.00 55.36 56.07 1dp0 s GLN 824 Cb 0.04 0.42 0.13 0.00 1.10 0.00 0.00 33.01 34.70 1dp0 s GLN 824 CO 0.46 -0.16 0.27 0.00 -0.55 0.00 0.00 175.29 175.32 1dp0 s THR 826 N 2.33 1.70 -0.02 0.00 -4.23 0.00 -4.95 115.64 110.48 1dp0 s THR 826 Ca 0.09 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1dp0 s THR 826 Cb -0.14 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1dp0 s THR 826 CO -0.33 -0.30 -0.04 0.00 -0.54 0.00 0.00 174.62 173.41 1dp0 s ALA 827 N -2.97 0.45 0.04 3.99 0.00 -1.26 -0.45 121.76 121.56 1dp0 s ALA 827 Ca 0.30 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1dp0 s ALA 827 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1dp0 s ALA 827 CO 0.12 0.05 -0.07 -0.51 0.00 0.00 0.00 175.76 175.35 1dp0 s ASP 828 N 0.31 0.76 -0.11 0.00 1.01 0.16 -4.98 116.67 113.82 1dp0 s ASP 828 Ca -0.03 -0.61 -0.05 0.00 0.71 0.00 0.00 52.55 52.57 1dp0 s ASP 828 Cb -0.07 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.88 1dp0 s ASP 828 CO -0.00 -0.27 0.07 0.42 0.21 0.00 0.00 175.17 175.60 1dp0 s THR 829 N -1.75 4.88 0.54 -1.27 -4.23 -1.26 -0.22 115.64 112.34 1dp0 s THR 829 Ca -0.08 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1dp0 s THR 829 Cb -0.08 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1dp0 s THR 829 CO -0.01 0.59 0.29 -0.76 -0.54 0.00 0.00 174.62 174.20 1dp0 s LEU 830 N -0.76 2.53 0.23 4.79 1.43 0.21 -4.95 118.68 122.18 1dp0 s LEU 830 Ca 0.12 -1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 51.77 1dp0 s LEU 830 Cb -0.12 -1.02 0.40 0.00 0.03 0.00 0.00 46.19 45.48 1dp0 s LEU 830 CO 0.03 -1.07 1.73 0.00 0.23 0.00 0.00 176.35 177.27 1dp0 h ALA 831 N 0.89 0.96 0.00 4.21 0.00 -2.03 -3.19 119.26 120.11 1dp0 h ALA 831 Ca -0.39 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1dp0 h ALA 831 Cb 1.31 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 1dp0 h ALA 831 CO 0.62 -0.21 -0.58 -0.40 0.00 0.00 0.00 179.25 178.68 1dp0 n ASP 832 N -5.01 1.31 -3.75 0.00 5.75 -1.26 -5.03 116.55 108.56 1dp0 n ASP 832 Ca 0.12 -2.84 -0.05 0.00 -0.01 0.00 0.00 54.79 52.01 1dp0 n ASP 832 Cb 0.37 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.61 -1.53 0.02 2.12 0.00 -1.21 -3.14 121.76 116.41 1dp0 s ALA 833 Ca 0.29 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1dp0 s ALA 833 Cb 0.30 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 1dp0 s ALA 833 CO -0.07 -1.01 -0.25 0.08 0.00 0.00 0.00 175.76 174.51 1dp0 s VAL 834 N -3.49 2.22 -0.16 0.00 1.01 -0.67 0.66 120.40 119.96 1dp0 s VAL 834 Ca 0.11 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1dp0 s VAL 834 Cb -0.03 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1dp0 s VAL 834 CO 0.02 0.45 -0.19 -0.22 0.00 0.00 0.00 175.10 175.16 1dp0 s LEU 835 N -1.00 2.03 -0.17 3.92 2.96 0.69 -0.49 118.68 126.62 1dp0 s LEU 835 Ca 0.11 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1dp0 s LEU 835 Cb -0.10 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1dp0 s LEU 835 CO 0.01 0.01 0.02 -0.63 -1.32 0.00 0.00 176.35 174.44 1dp0 s ILE 836 N 1.21 4.41 -0.09 6.68 -1.09 0.03 -0.67 121.20 131.69 1dp0 s ILE 836 Ca 0.02 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.30 1dp0 s ILE 836 Cb -0.14 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.76 1dp0 s ILE 836 CO -0.10 0.47 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.02 1dp0 s THR 837 N 0.38 2.70 0.05 2.92 2.01 0.40 -0.92 115.64 123.17 1dp0 s THR 837 Ca 0.00 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 1dp0 s THR 837 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1dp0 s THR 837 CO 0.01 0.56 -0.04 0.42 -0.69 0.00 0.00 174.62 174.88 1dp0 s THR 838 N -0.06 0.30 -0.06 -0.82 -4.23 -0.24 -0.82 115.64 109.71 1dp0 s THR 838 Ca -0.04 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1dp0 s THR 838 Cb -0.14 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.46 1dp0 s THR 838 CO 0.04 -0.85 0.15 0.00 -0.54 0.00 0.00 174.62 173.42 1dp0 s ALA 839 N -3.27 -0.33 0.04 3.99 0.00 -0.09 -1.56 121.76 120.54 1dp0 s ALA 839 Ca 0.03 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1dp0 s ALA 839 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1dp0 s ALA 839 CO -0.07 -0.10 -0.06 -1.01 0.00 0.00 0.00 175.76 174.52 1dp0 s HIS 840 N 0.47 0.55 -0.02 0.00 3.76 -0.39 -0.35 115.29 119.31 1dp0 s HIS 840 Ca -0.03 -0.53 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 1dp0 s HIS 840 Cb -0.05 -0.34 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 1dp0 s HIS 840 CO -0.02 -0.13 -0.24 0.00 -0.85 0.00 0.00 174.74 173.50 1dp0 s ALA 841 N -1.53 2.24 -0.22 -1.40 0.00 -0.56 -1.00 121.76 119.29 1dp0 s ALA 841 Ca -0.11 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1dp0 s ALA 841 Cb -0.09 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1dp0 s ALA 841 CO -0.00 0.53 0.02 -1.58 0.00 0.00 0.00 175.76 174.73 1dp0 s TRP 842 N -0.64 3.04 0.15 0.00 0.51 0.76 0.18 118.94 122.94 1dp0 s TRP 842 Ca 0.10 -0.51 0.05 0.00 -2.12 0.00 0.00 56.10 53.63 1dp0 s TRP 842 Cb -0.10 -2.13 -0.04 0.00 -0.81 0.00 0.00 33.47 30.38 1dp0 s TRP 842 CO -0.01 -0.31 -0.12 -0.65 -0.51 0.00 0.00 176.95 175.35 1dp0 s GLN 843 N 1.23 1.11 -0.20 4.98 -0.21 -1.19 0.06 119.66 125.45 1dp0 s GLN 843 Ca 0.04 -1.43 -0.08 0.00 0.02 0.00 0.00 55.36 53.90 1dp0 s GLN 843 Cb -0.15 -0.79 0.08 0.00 1.00 0.00 0.00 33.01 33.16 1dp0 s GLN 843 CO 0.02 0.12 0.44 -1.58 -2.12 0.00 0.00 175.29 172.16 1dp0 s HIS 844 N -3.00 -0.77 -1.53 0.91 2.46 -0.23 -3.07 115.29 110.06 1dp0 s HIS 844 Ca 0.16 1.51 -0.09 0.00 0.47 0.00 0.00 55.06 57.12 1dp0 s HIS 844 Cb 0.00 0.33 0.07 0.00 -0.13 0.00 0.00 32.58 32.85 1dp0 s HIS 844 CO 0.02 -0.45 0.64 1.04 -2.47 0.00 0.00 174.74 173.52 1dp0 n GLN 845 N 5.03 -3.61 -0.89 2.88 3.00 -1.26 -0.70 117.38 121.83 1dp0 n GLN 845 Ca -0.13 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1dp0 n GLN 845 Cb 0.51 -4.89 0.00 0.00 0.00 0.00 0.00 30.24 25.87 1dp0 n GLN 845 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dp0 n GLY 846 N -1.72 0.63 3.71 1.08 0.00 -1.26 -5.02 105.19 102.61 1dp0 n GLY 846 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.35 2.95 -0.30 1.61 2.20 0.13 -5.06 119.74 120.90 1dp0 s LYS 847 Ca 0.00 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 1dp0 s LYS 847 Cb 0.00 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1dp0 s LYS 847 CO 0.00 0.67 0.84 0.99 -0.36 0.00 0.00 175.35 177.49 1dp0 s THR 848 N -1.02 4.75 -0.16 3.43 2.01 -1.26 -1.07 115.64 122.32 1dp0 s THR 848 Ca 0.17 1.31 -0.20 0.00 0.31 0.00 0.00 61.69 63.28 1dp0 s THR 848 Cb -0.12 -4.19 -0.23 0.00 0.01 0.00 0.00 72.50 67.97 1dp0 s THR 848 CO 0.07 -0.27 0.42 -0.07 -0.69 0.00 0.00 174.62 174.08 1dp0 h LEU 849 N 9.54 0.15 -8.06 4.42 3.38 -0.73 -3.41 115.31 120.60 1dp0 h LEU 849 Ca -0.24 -0.73 -0.15 0.00 0.09 0.00 0.00 57.88 56.85 1dp0 h LEU 849 Cb 1.09 -0.05 -0.19 0.00 0.09 0.00 0.00 40.66 41.60 1dp0 h LEU 849 CO 0.91 1.48 -0.69 -0.36 0.09 0.00 0.00 178.44 179.87 1dp0 s PHE 850 N -2.39 0.34 -0.05 1.13 0.40 -1.12 -1.37 117.98 114.91 1dp0 s PHE 850 Ca -0.24 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.43 1dp0 s PHE 850 Cb 0.04 -0.25 0.01 0.00 0.51 0.00 0.00 43.02 43.33 1dp0 s PHE 850 CO 0.68 -0.25 -0.13 0.42 0.70 0.00 0.00 175.22 176.64 1dp0 s ILE 851 N -2.19 1.14 -0.11 0.64 1.01 -0.10 -0.17 121.20 121.41 1dp0 s ILE 851 Ca -0.09 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1dp0 s ILE 851 Cb -0.05 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.41 1dp0 s ILE 851 CO -0.04 0.35 -0.19 -0.55 0.00 0.00 0.00 174.94 174.52 1dp0 s SER 852 N 0.45 2.71 -0.11 3.58 0.15 -0.17 -0.84 113.70 119.47 1dp0 s SER 852 Ca -0.10 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.07 1dp0 s SER 852 Cb -0.14 -1.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1dp0 s SER 852 CO 0.03 0.07 -0.17 -0.13 1.20 0.00 0.00 173.24 174.24 1dp0 s ARG 853 N 0.76 3.13 0.12 5.44 0.52 -0.16 -1.26 118.95 127.51 1dp0 s ARG 853 Ca -0.10 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1dp0 s ARG 853 Cb -0.16 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1dp0 s ARG 853 CO 0.01 0.27 0.00 0.15 0.02 0.00 0.00 175.30 175.75 1dp0 s LYS 854 N 0.18 0.91 0.01 3.54 1.02 -0.60 -0.23 119.74 124.57 1dp0 s LYS 854 Ca -0.10 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.51 1dp0 s LYS 854 Cb -0.16 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.13 1dp0 s LYS 854 CO 0.06 -0.15 -0.10 0.95 -0.92 0.00 0.00 175.35 175.19 1dp0 s THR 855 N -3.82 0.79 -0.16 2.17 -4.23 -0.66 -1.08 115.64 108.65 1dp0 s THR 855 Ca 0.19 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1dp0 s THR 855 Cb 0.07 -0.70 0.02 0.00 1.34 0.00 0.00 72.50 73.22 1dp0 s THR 855 CO -0.01 0.08 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.65 1dp0 s TYR 856 N -0.51 2.62 -0.23 3.99 1.51 -0.10 -1.38 117.35 123.25 1dp0 s TYR 856 Ca 0.01 -1.45 -0.01 0.00 -1.01 0.00 0.00 57.07 54.62 1dp0 s TYR 856 Cb -0.05 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1dp0 s TYR 856 CO 0.00 -0.70 -0.10 0.50 -1.11 0.00 0.00 175.55 174.14 1dp0 s ARG 857 N 1.12 2.89 -0.23 -0.62 3.52 0.49 -0.79 118.95 125.32 1dp0 s ARG 857 Ca 0.00 -0.93 -0.06 0.00 -0.13 0.00 0.00 55.73 54.61 1dp0 s ARG 857 Cb -0.14 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1dp0 s ARG 857 CO -0.08 -0.34 0.02 0.42 -0.81 0.00 0.00 175.30 174.50 1dp0 s ILE 858 N 1.31 3.86 0.40 4.11 1.01 0.35 -1.32 121.20 130.92 1dp0 s ILE 858 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1dp0 s ILE 858 Cb -0.16 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.56 1dp0 s ILE 858 CO -0.07 0.38 0.27 -0.90 0.00 0.00 0.00 174.94 174.63 1dp0 n ASP 859 N 4.85 2.35 0.31 3.58 5.68 -1.02 -1.67 116.55 130.63 1dp0 n ASP 859 Ca -0.17 -2.40 0.20 0.00 -0.50 0.00 0.00 54.79 51.91 1dp0 n ASP 859 Cb 0.51 -0.00 1.04 0.00 -1.14 0.00 0.00 41.12 41.53 1dp0 n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1dp0 h GLY 860 N 0.52 0.00 1.33 6.12 0.00 -1.68 0.82 103.07 110.17 1dp0 h GLY 860 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1dp0 h GLY 860 CO 0.41 0.00 -0.16 -1.14 0.00 0.00 0.00 176.54 175.65 1dp0 n SER 861 N -2.92 0.30 0.00 0.19 3.41 -1.26 -4.27 113.62 109.07 1dp0 n SER 861 Ca -0.03 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1dp0 n SER 861 Cb 0.14 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.41 1.15 3.81 5.00 0.00 0.28 -4.99 105.19 111.85 1dp0 n GLY 862 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.50 4.32 -0.28 1.61 -0.21 -1.26 -4.60 119.66 118.74 1dp0 s GLN 863 Ca 0.00 0.95 -0.04 0.00 0.02 0.00 0.00 55.36 56.29 1dp0 s GLN 863 Cb 0.00 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.13 1dp0 s GLN 863 CO 0.00 0.40 0.02 1.41 -2.12 0.00 0.00 175.29 174.99 1dp0 s MET 864 N -1.91 2.85 -0.22 2.91 -2.45 0.80 -2.43 119.30 118.85 1dp0 s MET 864 Ca 0.43 -0.99 -0.17 0.00 -1.25 0.00 0.00 55.69 53.71 1dp0 s MET 864 Cb -0.17 -3.21 -0.03 0.00 1.25 0.00 0.00 34.83 32.66 1dp0 s MET 864 CO 0.22 -0.48 0.45 0.00 1.05 0.00 0.00 175.02 176.26 1dp0 s ALA 865 N 1.39 3.56 -0.20 4.11 0.00 -0.44 -0.45 121.76 129.73 1dp0 s ALA 865 Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1dp0 s ALA 865 Cb -0.18 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1dp0 s ALA 865 CO -0.01 -0.46 -0.03 0.42 0.00 0.00 0.00 175.76 175.68 1dp0 s ILE 866 N 1.67 3.57 -0.11 0.00 1.01 0.24 -0.38 121.20 127.21 1dp0 s ILE 866 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1dp0 s ILE 866 Cb -0.15 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1dp0 s ILE 866 CO 0.09 0.43 -0.10 -0.89 0.00 0.00 0.00 174.94 174.47 1dp0 s THR 867 N 1.19 3.36 -0.11 2.92 2.01 -0.48 -0.64 115.64 123.89 1dp0 s THR 867 Ca 0.03 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1dp0 s THR 867 Cb -0.14 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1dp0 s THR 867 CO -0.00 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1dp0 s VAL 868 N -0.10 1.49 -0.17 3.82 1.01 0.44 -1.65 120.40 125.24 1dp0 s VAL 868 Ca -0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1dp0 s VAL 868 Cb -0.14 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1dp0 s VAL 868 CO 0.03 0.44 -0.13 -1.81 0.00 0.00 0.00 175.10 173.63 1dp0 s ASP 869 N 1.02 3.05 0.06 3.32 1.01 0.68 -1.07 116.67 124.73 1dp0 s ASP 869 Ca -0.06 -0.68 0.08 0.00 0.71 0.00 0.00 52.55 52.60 1dp0 s ASP 869 Cb -0.15 -1.23 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 1dp0 s ASP 869 CO -0.02 -0.09 -0.22 -0.69 0.21 0.00 0.00 175.17 174.36 1dp0 s VAL 870 N 1.43 2.50 -0.07 -1.27 1.01 0.89 -0.98 120.40 123.90 1dp0 s VAL 870 Ca 0.02 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1dp0 s VAL 870 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1dp0 s VAL 870 CO -0.10 0.31 -0.14 -1.61 0.00 0.00 0.00 175.10 173.56 1dp0 s GLU 871 N -1.47 2.71 -0.16 2.72 2.02 -0.02 -1.34 118.70 123.16 1dp0 s GLU 871 Ca 0.14 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1dp0 s GLU 871 Cb -0.10 -2.43 0.03 0.00 0.10 0.00 0.00 34.13 31.72 1dp0 s GLU 871 CO 0.04 0.52 -0.13 0.08 0.02 0.00 0.00 175.26 175.80 1dp0 s VAL 872 N -0.46 1.56 0.29 2.63 1.01 0.28 -0.93 120.40 124.79 1dp0 s VAL 872 Ca 0.06 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 1dp0 s VAL 872 Cb -0.12 -1.52 -0.14 0.00 0.00 0.00 0.00 36.38 34.60 1dp0 s VAL 872 CO 0.02 0.38 1.08 0.00 0.00 0.00 0.00 175.10 176.57 1dp0 n ALA 873 N 4.76 0.06 0.23 5.51 0.00 -0.47 -4.63 120.51 125.97 1dp0 n ALA 873 Ca -0.16 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1dp0 n ALA 873 Cb 0.49 -2.07 0.58 0.00 0.00 0.00 0.00 19.45 18.45 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 2.21 0.00 -0.39 0.00 4.64 -1.94 -2.14 113.55 115.93 1dp0 h SER 874 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1dp0 h SER 874 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1dp0 h SER 874 CO 0.62 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.88 1dp0 n ASP 875 N -3.82 2.62 -4.89 4.97 5.75 -1.26 -4.87 116.55 115.05 1dp0 n ASP 875 Ca -0.02 -1.92 -0.32 0.00 -0.01 0.00 0.00 54.79 52.53 1dp0 n ASP 875 Cb 0.30 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.49 5.10 0.38 2.12 -1.32 -0.81 -5.03 115.64 114.59 1dp0 s THR 876 Ca 0.35 0.19 -0.27 0.00 -1.21 0.00 0.00 61.69 60.75 1dp0 s THR 876 Cb 0.19 -3.62 -0.11 0.00 -1.51 0.00 0.00 72.50 67.45 1dp0 s THR 876 CO 0.26 0.03 1.28 -0.81 -2.21 0.00 0.00 174.62 173.17 1dp0 n PRO 877 N 0.10 2.02 -1.68 7.08 -0.04 -1.26 -4.84 135.00 136.38 1dp0 n PRO 877 Ca -0.02 0.71 -0.45 0.00 -0.04 0.00 0.00 63.50 63.70 1dp0 n PRO 877 Cb 0.52 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1dp0 n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1dp0 n HIS 878 N 0.05 2.30 -1.68 0.54 8.25 -1.26 -4.91 115.22 118.51 1dp0 n HIS 878 Ca 0.06 0.32 -0.32 0.00 -0.26 0.00 0.00 57.72 57.52 1dp0 n HIS 878 Cb 0.38 -2.52 0.05 0.00 1.12 0.00 0.00 29.99 29.02 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 0.28 2.83 0.41 -0.41 0.04 -1.26 -4.85 135.00 132.04 1dp0 s PRO 879 Ca 0.73 1.21 0.17 0.00 0.04 0.00 0.00 61.00 63.15 1dp0 s PRO 879 Cb -0.65 -1.97 0.88 0.00 0.04 0.00 0.00 34.50 32.81 1dp0 s PRO 879 CO 0.43 -1.21 1.87 0.00 0.04 0.00 0.00 177.00 178.13 1dp0 h ALA 880 N -0.28 1.31 -2.65 8.56 0.00 -1.90 -3.41 119.26 120.90 1dp0 h ALA 880 Ca -0.45 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.28 1dp0 h ALA 880 Cb 1.23 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1dp0 h ALA 880 CO 0.55 0.39 0.36 -0.98 0.00 0.00 0.00 179.25 179.57 1dp0 s ARG 881 N -4.11 1.38 -0.29 0.00 1.70 -1.22 -0.53 118.95 115.87 1dp0 s ARG 881 Ca -0.02 -0.71 -0.04 0.00 -0.47 0.00 0.00 55.73 54.49 1dp0 s ARG 881 Cb 0.14 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 35.12 1dp0 s ARG 881 CO 0.69 -0.63 0.13 0.42 -1.08 0.00 0.00 175.30 174.83 1dp0 s ILE 882 N -3.55 -0.03 0.00 4.99 1.01 -0.50 -4.20 121.20 118.91 1dp0 s ILE 882 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1dp0 s ILE 882 Cb -0.03 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1dp0 s ILE 882 CO 0.01 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.82 1dp0 n GLY 883 N 5.21 2.47 3.33 6.18 0.00 -0.86 -0.37 105.19 121.14 1dp0 n GLY 883 Ca -0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 2.54 0.08 0.99 1.43 0.84 -0.47 118.68 124.09 1dp0 s LEU 884 Ca 0.00 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 51.97 1dp0 s LEU 884 Cb 0.00 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1dp0 s LEU 884 CO 0.00 -0.23 0.21 0.54 0.23 0.00 0.00 176.35 177.10 1dp0 s ASN 885 N -3.29 0.06 0.19 2.29 4.22 0.42 -1.25 114.94 117.60 1dp0 s ASN 885 Ca 0.22 -0.54 -0.23 0.00 -2.14 0.00 0.00 52.86 50.17 1dp0 s ASN 885 Cb 0.00 0.34 0.06 0.00 1.28 0.00 0.00 41.25 42.93 1dp0 s ASN 885 CO 0.06 -0.69 0.66 0.00 -2.04 0.00 0.00 177.10 175.08 1dp0 s GLN 887 N -3.77 2.71 0.42 0.00 0.74 -1.24 -1.10 119.66 117.42 1dp0 s GLN 887 Ca 0.05 -1.11 -0.23 0.00 0.05 0.00 0.00 55.36 54.11 1dp0 s GLN 887 Cb -0.03 -3.41 -0.09 0.00 1.10 0.00 0.00 33.01 30.59 1dp0 s GLN 887 CO -0.06 -0.61 1.07 -0.51 -0.55 0.00 0.00 175.29 174.63 1dp0 s LEU 888 N 1.41 4.08 0.21 3.68 1.43 0.15 0.20 118.68 129.83 1dp0 s LEU 888 Ca -0.01 2.08 0.09 0.00 -1.03 0.00 0.00 54.13 55.26 1dp0 s LEU 888 Cb -0.19 -4.24 0.11 0.00 0.03 0.00 0.00 46.19 41.90 1dp0 s LEU 888 CO 0.02 -0.62 1.47 0.00 0.23 0.00 0.00 176.35 177.46 1dp0 h ALA 889 N 2.29 0.70 -2.19 4.21 0.00 -0.98 -1.55 119.26 121.74 1dp0 h ALA 889 Ca -0.49 -0.70 -0.47 0.00 0.00 0.00 0.00 54.91 53.25 1dp0 h ALA 889 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dp0 h ALA 889 CO 0.61 0.97 -0.28 -1.14 0.00 0.00 0.00 179.25 179.41 1dp0 s GLN 890 N -3.21 3.43 -0.10 0.00 0.74 -1.26 -4.27 119.66 114.99 1dp0 s GLN 890 Ca -0.00 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.89 1dp0 s GLN 890 Cb 0.11 -2.75 -0.01 0.00 1.10 0.00 0.00 33.01 31.46 1dp0 s GLN 890 CO 0.78 0.23 -0.18 0.08 -0.55 0.00 0.00 175.29 175.66 1dp0 s VAL 891 N -2.19 2.68 0.22 1.34 1.01 -1.26 -3.65 120.40 118.54 1dp0 s VAL 891 Ca 0.38 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1dp0 s VAL 891 Cb -0.09 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1dp0 s VAL 891 CO 0.33 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.79 1dp0 s ALA 892 N 0.11 2.34 0.11 5.51 0.00 -1.26 -5.04 121.76 123.54 1dp0 s ALA 892 Ca -0.08 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 1dp0 s ALA 892 Cb -0.15 -0.20 -0.12 0.00 0.00 0.00 0.00 23.12 22.65 1dp0 s ALA 892 CO 0.05 0.23 1.37 0.93 0.00 0.00 0.00 175.76 178.34 1dp0 h GLU 893 N 2.72 0.84 -5.97 0.00 4.39 -2.00 -3.43 114.58 111.13 1dp0 h GLU 893 Ca -0.41 -0.58 -0.56 0.00 0.34 0.00 0.00 59.36 58.15 1dp0 h GLU 893 Cb 1.23 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.83 1dp0 h GLU 893 CO 0.57 1.21 -0.74 1.03 -1.16 0.00 0.00 179.01 179.91 1dp0 s ARG 894 N -4.00 1.57 -0.10 2.33 1.81 -1.26 -1.35 118.95 117.95 1dp0 s ARG 894 Ca -0.11 -1.72 0.02 0.00 -1.72 0.00 0.00 55.73 52.20 1dp0 s ARG 894 Cb 0.09 -1.54 0.01 0.00 -0.45 0.00 0.00 34.95 33.06 1dp0 s ARG 894 CO 0.89 0.26 -0.16 0.08 -0.68 0.00 0.00 175.30 175.70 1dp0 s VAL 895 N -2.68 1.53 -0.07 3.52 1.01 0.15 -4.55 120.40 119.31 1dp0 s VAL 895 Ca 0.28 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1dp0 s VAL 895 Cb -0.03 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1dp0 s VAL 895 CO 0.12 0.45 -0.15 0.21 0.00 0.00 0.00 175.10 175.73 1dp0 s ASN 896 N 0.86 2.11 0.09 3.32 3.84 -0.94 -1.00 114.94 123.22 1dp0 s ASN 896 Ca -0.09 -0.37 -0.13 0.00 0.21 0.00 0.00 52.86 52.48 1dp0 s ASN 896 Cb -0.15 -0.97 0.02 0.00 -0.55 0.00 0.00 41.25 39.59 1dp0 s ASN 896 CO 0.00 0.07 0.30 -1.66 -2.79 0.00 0.00 177.10 173.02 1dp0 s TRP 897 N 0.58 -0.05 -0.38 0.43 -2.14 -0.43 0.03 118.94 116.98 1dp0 s TRP 897 Ca -0.16 -0.25 -0.03 0.00 2.66 0.00 0.00 56.10 58.32 1dp0 s TRP 897 Cb -0.16 0.10 0.09 0.00 -3.10 0.00 0.00 33.47 30.40 1dp0 s TRP 897 CO 0.05 -0.59 0.15 -1.17 -2.66 0.00 0.00 176.95 172.73 1dp0 s LEU 898 N -2.61 4.85 0.00 -4.66 2.96 0.18 -0.02 118.68 119.38 1dp0 s LEU 898 Ca 0.01 -1.74 0.00 0.00 -0.22 0.00 0.00 54.13 52.19 1dp0 s LEU 898 Cb 0.02 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1dp0 s LEU 898 CO -0.09 -0.46 0.00 0.61 -1.32 0.00 0.00 176.35 175.09 1dp0 n GLY 899 N 4.65 -0.59 3.76 7.98 0.00 -0.59 -0.17 105.19 120.23 1dp0 n GLY 899 Ca -0.06 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 4.58 0.00 0.99 1.43 -0.96 -1.79 118.68 122.93 1dp0 s LEU 900 Ca 0.00 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1dp0 s LEU 900 Cb 0.00 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1dp0 s LEU 900 CO 0.00 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1dp0 n GLY 901 N 1.73 -0.75 0.15 -3.19 0.00 -0.14 -4.44 105.19 98.54 1dp0 n GLY 901 Ca -0.04 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -7.30 1.61 0.13 -1.94 0.21 132.00 124.71 1dp0 h PRO 902 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1dp0 h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1dp0 h PRO 902 CO 0.00 0.00 0.25 -0.65 -0.23 0.00 0.00 178.00 177.37 1dp0 s GLN 903 N -3.25 2.43 0.18 0.86 -0.21 -1.26 -4.99 119.66 113.42 1dp0 s GLN 903 Ca 0.05 -0.08 -0.32 0.00 0.02 0.00 0.00 55.36 55.02 1dp0 s GLN 903 Cb 0.09 -2.16 -0.16 0.00 1.00 0.00 0.00 33.01 31.78 1dp0 s GLN 903 CO 0.71 -1.12 1.12 -1.91 -2.12 0.00 0.00 175.29 171.98 1dp0 n GLU 904 N -2.88 1.12 -3.77 2.91 2.13 -1.26 -4.88 120.64 114.01 1dp0 n GLU 904 Ca 0.07 0.40 -0.13 0.00 0.66 0.00 0.00 57.16 58.16 1dp0 n GLU 904 Cb 0.59 -1.86 -0.09 0.00 0.27 0.00 0.00 31.44 30.35 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 -0.10 -0.21 0.33 4.31 2.20 0.13 -4.91 114.94 116.70 1dp0 s ASN 905 Ca 0.72 0.20 0.04 0.00 -0.94 0.00 0.00 52.86 52.88 1dp0 s ASN 905 Cb -0.85 0.39 -0.07 0.00 -2.00 0.00 0.00 41.25 38.73 1dp0 s ASN 905 CO 0.53 -0.36 0.05 -0.31 -2.94 0.00 0.00 177.10 174.08 1dp0 s TYR 906 N -0.95 2.02 0.24 1.54 1.51 -0.89 -3.77 117.35 117.06 1dp0 s TYR 906 Ca -0.10 -0.93 -0.04 0.00 -1.01 0.00 0.00 57.07 54.99 1dp0 s TYR 906 Cb -0.05 -1.33 0.42 0.00 -0.11 0.00 0.00 41.96 40.90 1dp0 s TYR 906 CO 0.03 0.05 1.77 -1.35 -1.11 0.00 0.00 175.55 174.94 1dp0 h PRO 907 N 2.08 0.60 -0.39 -1.71 0.11 -1.86 0.74 132.00 131.57 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 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dp0 h PRO 907 CO 0.71 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.49 1dp0 n ASP 908 N -4.87 2.38 -3.00 -2.05 5.75 -1.26 -4.34 116.55 109.16 1dp0 n ASP 908 Ca 0.14 -1.94 -0.16 0.00 -0.01 0.00 0.00 54.79 52.82 1dp0 n ASP 908 Cb 0.34 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.79 0.88 -0.18 0.11 0.63 0.21 -0.56 116.66 118.55 1dp0 n ARG 909 Ca 0.16 -2.69 0.01 0.00 -0.92 0.00 0.00 57.85 54.40 1dp0 n ARG 909 Cb 0.39 -1.38 0.01 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 0.85 0.34 -0.03 6.15 -0.00 -0.97 -2.09 117.00 121.25 1dp0 n LEU 910 Ca 0.17 -0.74 -0.03 0.00 -0.00 0.00 0.00 56.01 55.40 1dp0 n LEU 910 Cb 0.63 -0.03 0.20 0.00 -0.00 0.00 0.00 43.42 44.22 1dp0 n LEU 910 CO 0.13 0.18 0.81 0.71 -0.00 0.00 0.00 177.39 179.22 1dp0 h THR 911 N 3.91 1.24 0.00 1.47 1.35 -1.91 -2.71 112.91 116.27 1dp0 h THR 911 Ca 0.00 -1.10 -0.03 0.00 -0.55 0.00 0.00 66.41 64.73 1dp0 h THR 911 Cb 1.09 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1dp0 h THR 911 CO 0.00 0.37 -0.12 0.00 -0.25 0.00 0.00 175.52 175.51 1dp0 h ALA 912 N 1.31 0.97 -2.47 6.62 0.00 -1.88 -3.46 119.26 120.35 1dp0 h ALA 912 Ca 0.10 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1dp0 h ALA 912 Cb 0.54 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.36 1dp0 h ALA 912 CO 0.03 0.15 0.41 0.00 0.00 0.00 0.00 179.25 179.85 1dp0 s ALA 913 N -3.44 2.87 0.17 0.00 0.00 -1.02 -4.98 121.76 115.34 1dp0 s ALA 913 Ca 0.03 0.72 0.10 0.00 0.00 0.00 0.00 51.96 52.82 1dp0 s ALA 913 Cb 0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1dp0 s ALA 913 CO 0.63 -0.47 -0.20 0.00 0.00 0.00 0.00 175.76 175.72 1dp0 s PHE 915 N -1.50 3.34 0.00 0.00 5.36 -1.26 -0.97 117.98 122.96 1dp0 s PHE 915 Ca 0.20 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1dp0 s PHE 915 Cb -0.09 -2.95 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1dp0 s PHE 915 CO 0.11 -0.31 0.00 -3.47 -1.46 0.00 0.00 175.22 170.08 1dp0 n ASP 916 N 5.62 0.00 -4.50 6.13 -0.08 -0.74 -4.93 116.55 118.05 1dp0 n ASP 916 Ca 0.03 -0.92 -0.38 0.00 -1.51 0.00 0.00 54.79 52.01 1dp0 n ASP 916 Cb 0.48 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.75 3.65 0.19 -0.67 6.06 -1.26 -1.54 118.95 123.64 1dp0 s ARG 917 Ca 0.00 -0.50 0.10 0.00 -2.50 0.00 0.00 55.73 52.82 1dp0 s ARG 917 Cb 0.00 -3.54 -0.04 0.00 0.06 0.00 0.00 34.95 31.43 1dp0 s ARG 917 CO 0.00 -0.27 -0.14 -1.58 -2.50 0.00 0.00 175.30 170.81 1dp0 s TRP 918 N 1.67 2.52 -0.17 5.12 0.52 0.97 -4.97 118.94 124.60 1dp0 s TRP 918 Ca 0.06 -0.27 -0.06 0.00 0.02 0.00 0.00 56.10 55.86 1dp0 s TRP 918 Cb -0.16 -1.23 0.08 0.00 -1.15 0.00 0.00 33.47 31.01 1dp0 s TRP 918 CO 0.07 0.52 0.35 0.34 0.02 0.00 0.00 176.95 178.25 1dp0 s ASP 919 N -2.82 0.05 0.10 2.95 -1.08 -1.26 -1.31 116.67 113.30 1dp0 s ASP 919 Ca 0.24 0.77 0.01 0.00 -0.52 0.00 0.00 52.55 53.06 1dp0 s ASP 919 Cb -0.08 1.05 -0.04 0.00 -1.46 0.00 0.00 42.92 42.38 1dp0 s ASP 919 CO 0.14 -0.24 -0.05 -0.76 0.52 0.00 0.00 175.17 174.77 1dp0 s LEU 920 N 2.52 2.45 0.53 -1.34 1.43 -0.17 -4.96 118.68 119.15 1dp0 s LEU 920 Ca 0.00 -1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 51.86 1dp0 s LEU 920 Cb -0.12 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.02 1dp0 s LEU 920 CO -0.11 -0.50 1.31 -2.16 0.23 0.00 0.00 176.35 175.12 1dp0 s PRO 921 N -3.86 3.24 0.28 1.29 0.04 -1.26 0.35 135.00 135.08 1dp0 s PRO 921 Ca 0.13 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.30 1dp0 s PRO 921 Cb 0.06 -2.26 0.62 0.00 0.04 0.00 0.00 34.50 32.95 1dp0 s PRO 921 CO -0.04 -1.07 1.79 1.25 0.04 0.00 0.00 177.00 178.96 1dp0 h LEU 922 N 1.52 0.74 -2.17 -3.56 5.85 -1.48 -1.42 115.31 114.79 1dp0 h LEU 922 Ca -0.51 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1dp0 h LEU 922 Cb 1.29 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1dp0 h LEU 922 CO 0.58 0.32 -0.06 0.77 -0.34 0.00 0.00 178.44 179.70 1dp0 h SER 923 N 0.78 0.00 0.48 1.25 4.64 -1.91 0.46 113.55 119.25 1dp0 h SER 923 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1dp0 h SER 923 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1dp0 h SER 923 CO -0.34 0.06 0.00 0.47 -0.87 0.00 0.00 176.83 176.15 1dp0 n ASP 924 N -3.78 0.24 -0.47 4.97 8.00 -0.54 -1.78 116.55 123.18 1dp0 n ASP 924 Ca -0.02 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.12 1dp0 n ASP 924 Cb 0.16 -0.61 0.30 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.77 1.61 -4.81 -1.24 2.81 0.15 -4.74 117.12 109.13 1dp0 n MET 925 Ca 0.02 -0.93 -0.26 0.00 -1.81 0.00 0.00 57.70 54.72 1dp0 n MET 925 Cb 0.16 -1.32 -0.16 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.75 1.70 -0.27 2.03 5.04 -0.74 -4.50 117.35 118.87 1dp0 s TYR 926 Ca 0.27 -0.52 -0.09 0.00 -2.44 0.00 0.00 57.07 54.30 1dp0 s TYR 926 Cb 0.14 -1.16 -0.03 0.00 0.35 0.00 0.00 41.96 41.27 1dp0 s TYR 926 CO 0.21 -0.19 0.11 0.99 -1.34 0.00 0.00 175.55 175.33 1dp0 s THR 927 N 0.13 4.57 -1.50 4.34 2.01 -1.26 -4.97 115.64 118.96 1dp0 s THR 927 Ca -0.06 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 1dp0 s THR 927 Cb -0.12 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1dp0 s THR 927 CO 0.03 0.25 2.56 -0.81 -0.69 0.00 0.00 174.62 175.96 1dp0 n PRO 928 N 4.96 3.57 -1.82 4.92 -0.04 -1.26 -4.89 135.00 140.44 1dp0 n PRO 928 Ca -0.15 -2.63 -0.41 0.00 -0.04 0.00 0.00 63.50 60.27 1dp0 n PRO 928 Cb 0.51 -2.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.02 1dp0 n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1dp0 s TYR 929 N 1.84 2.73 0.20 0.54 1.51 -1.26 -4.87 117.35 118.04 1dp0 s TYR 929 Ca 0.58 0.95 -0.10 0.00 -1.01 0.00 0.00 57.07 57.49 1dp0 s TYR 929 Cb 0.16 -4.02 0.22 0.00 -0.11 0.00 0.00 41.96 38.21 1dp0 s TYR 929 CO -0.07 -3.26 1.80 0.28 -1.11 0.00 0.00 175.55 173.20 1dp0 h VAL 930 N 3.25 0.96 -3.22 0.71 2.07 -1.96 -3.26 116.25 114.80 1dp0 h VAL 930 Ca -0.48 -0.22 -0.67 0.00 0.82 0.00 0.00 66.70 66.15 1dp0 h VAL 930 Cb 1.23 0.26 -0.17 0.00 -1.52 0.00 0.00 31.29 31.09 1dp0 h VAL 930 CO 0.74 0.12 0.17 0.12 0.02 0.00 0.00 177.57 178.74 1dp0 s PHE 931 N -6.10 2.98 0.61 1.57 5.36 -1.26 -0.35 117.98 120.79 1dp0 s PHE 931 Ca -0.13 -0.44 -0.18 0.00 -0.96 0.00 0.00 56.93 55.22 1dp0 s PHE 931 Cb 0.16 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1dp0 s PHE 931 CO 0.75 -1.12 1.16 -2.14 -1.46 0.00 0.00 175.22 172.42 1dp0 s PRO 932 N 2.94 2.96 0.11 10.12 0.02 -1.23 -4.95 135.00 144.98 1dp0 s PRO 932 Ca 0.18 1.66 -0.09 0.00 0.02 0.00 0.00 61.00 62.78 1dp0 s PRO 932 Cb -0.18 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1dp0 s PRO 932 CO 0.13 -1.17 0.43 -1.13 -0.33 0.00 0.00 177.00 174.92 1dp0 n SER 933 N -1.79 -0.86 -4.63 2.53 3.41 -1.26 -4.76 113.62 106.26 1dp0 n SER 933 Ca 0.12 -1.51 -0.47 0.00 -0.26 0.00 0.00 58.87 56.76 1dp0 n SER 933 Cb 0.51 1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 65.83 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 -0.30 1.63 -3.71 4.33 4.07 -0.56 -4.94 120.64 121.17 1dp0 n GLU 934 Ca -0.02 0.58 -0.08 0.00 -0.06 0.00 0.00 57.16 57.58 1dp0 n GLU 934 Cb 0.26 -2.19 -0.02 0.00 -0.06 0.00 0.00 31.44 29.44 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 0.25 -0.35 0.00 4.31 2.20 -1.26 -4.89 114.94 115.19 1dp0 s ASN 935 Ca 0.72 -0.39 0.00 0.00 -0.94 0.00 0.00 52.86 52.25 1dp0 s ASN 935 Cb -0.76 0.67 0.00 0.00 -2.00 0.00 0.00 41.25 39.16 1dp0 s ASN 935 CO 0.49 -1.19 0.00 0.61 -2.94 0.00 0.00 177.10 174.07 1dp0 n GLY 936 N -0.43 0.73 3.72 0.45 0.00 -1.26 -4.81 105.19 103.59 1dp0 n GLY 936 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1dp0 n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dp0 s LEU 937 N 0.00 3.23 -0.05 0.99 2.96 -1.26 -4.59 118.68 119.97 1dp0 s LEU 937 Ca 0.00 2.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.21 1dp0 s LEU 937 Cb 0.00 -4.58 0.01 0.00 0.50 0.00 0.00 46.19 42.12 1dp0 s LEU 937 CO 0.00 -2.34 -0.10 -0.13 -1.32 0.00 0.00 176.35 172.46 1dp0 s ARG 938 N -4.09 1.28 0.54 1.98 3.00 -0.27 0.21 118.95 121.60 1dp0 s ARG 938 Ca 0.72 -0.33 0.06 0.00 0.00 0.00 0.00 55.73 56.18 1dp0 s ARG 938 Cb -0.27 -1.13 0.06 0.00 0.00 0.00 0.00 34.95 33.61 1dp0 s ARG 938 CO 0.48 0.05 0.50 0.00 0.00 0.00 0.00 175.30 176.33 1dp0 n GLY 940 N -1.47 -0.51 3.73 0.00 0.00 -1.17 -2.27 105.19 103.49 1dp0 n GLY 940 Ca 0.03 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.10 5.35 -0.03 2.61 2.01 -0.20 -3.75 115.64 118.54 1dp0 s THR 941 Ca 0.26 0.38 0.19 0.00 0.31 0.00 0.00 61.69 62.83 1dp0 s THR 941 Cb -0.12 -3.56 -0.29 0.00 0.01 0.00 0.00 72.50 68.55 1dp0 s THR 941 CO 0.32 0.41 0.40 0.54 -0.69 0.00 0.00 174.62 175.60 1dp0 n ARG 942 N 3.56 0.58 -3.68 4.92 5.12 0.76 -1.02 116.66 126.90 1dp0 n ARG 942 Ca -0.14 -0.16 -0.11 0.00 -1.93 0.00 0.00 57.85 55.51 1dp0 n ARG 942 Cb 0.52 -1.44 -0.09 0.00 -1.16 0.00 0.00 32.46 30.29 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 -3.26 0.57 -0.05 5.56 2.12 -1.16 -1.48 118.70 121.00 1dp0 s GLU 943 Ca -0.07 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.15 1dp0 s GLU 943 Cb 0.12 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1dp0 s GLU 943 CO 0.77 -0.12 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.09 1dp0 s LEU 944 N 0.93 1.70 -0.06 2.70 2.96 0.32 -0.64 118.68 126.59 1dp0 s LEU 944 Ca -0.05 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1dp0 s LEU 944 Cb -0.05 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 1dp0 s LEU 944 CO -0.08 0.06 -0.19 0.20 -1.32 0.00 0.00 176.35 175.01 1dp0 s ASN 945 N 0.45 2.44 -0.21 3.68 0.01 0.10 -0.64 114.94 120.77 1dp0 s ASN 945 Ca -0.09 -0.41 -0.06 0.00 -0.71 0.00 0.00 52.86 51.59 1dp0 s ASN 945 Cb -0.13 -0.80 0.10 0.00 0.41 0.00 0.00 41.25 40.83 1dp0 s ASN 945 CO 0.02 0.16 0.41 -0.47 -1.51 0.00 0.00 177.10 175.71 1dp0 s TYR 946 N 0.12 -0.82 0.00 2.20 5.04 -0.50 -2.21 117.35 121.18 1dp0 s TYR 946 Ca -0.07 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1dp0 s TYR 946 Cb -0.13 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.41 1dp0 s TYR 946 CO 0.04 -0.55 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 1dp0 n GLY 947 N 5.38 2.89 0.52 8.97 0.00 -1.26 -1.14 105.19 120.56 1dp0 n GLY 947 Ca -0.07 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 13.73 1.70 -3.61 1.61 -0.04 -1.26 -4.87 135.00 142.26 1dp0 n PRO 948 Ca 0.00 -1.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.10 1dp0 n PRO 948 Cb 0.00 -1.41 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.84 3.46 -0.02 0.54 3.76 -0.29 0.19 115.29 121.09 1dp0 s HIS 949 Ca 0.34 0.62 0.01 0.00 -0.15 0.00 0.00 55.06 55.88 1dp0 s HIS 949 Cb 0.18 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.82 1dp0 s HIS 949 CO 0.28 0.39 -0.02 -1.14 -0.85 0.00 0.00 174.74 173.40 1dp0 s GLN 950 N -2.72 0.41 -0.07 1.40 0.74 -0.51 -1.41 119.66 117.50 1dp0 s GLN 950 Ca 0.42 -0.05 0.05 0.00 0.05 0.00 0.00 55.36 55.83 1dp0 s GLN 950 Cb -0.12 -0.48 -0.00 0.00 1.10 0.00 0.00 33.01 33.51 1dp0 s GLN 950 CO 0.24 -0.03 -0.22 -1.58 -0.55 0.00 0.00 175.29 173.14 1dp0 s TRP 951 N 0.54 2.31 0.03 1.67 0.51 0.19 -0.36 118.94 123.83 1dp0 s TRP 951 Ca -0.06 -0.81 0.08 0.00 -2.12 0.00 0.00 56.10 53.19 1dp0 s TRP 951 Cb -0.09 -1.54 -0.02 0.00 -0.81 0.00 0.00 33.47 31.01 1dp0 s TRP 951 CO -0.01 -0.30 -0.23 1.03 -0.51 0.00 0.00 176.95 176.94 1dp0 s ARG 952 N 0.14 1.59 0.00 4.98 0.52 0.43 -0.52 118.95 126.08 1dp0 s ARG 952 Ca -0.11 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1dp0 s ARG 952 Cb -0.15 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1dp0 s ARG 952 CO 0.06 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1dp0 n GLY 953 N 1.95 -0.62 2.82 -3.53 0.00 -0.55 -0.47 105.19 104.78 1dp0 n GLY 953 Ca -0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.10 0.25 1.61 2.15 -1.24 -4.23 116.67 111.13 1dp0 s ASP 954 Ca 0.00 -1.63 0.06 0.00 0.43 0.00 0.00 52.55 51.41 1dp0 s ASP 954 Cb 0.00 1.09 -0.02 0.00 -0.30 0.00 0.00 42.92 43.69 1dp0 s ASP 954 CO 0.00 -0.17 0.22 2.22 -0.17 0.00 0.00 175.17 177.27 1dp0 n PHE 955 N 3.78 -0.63 -4.38 -5.34 1.16 -0.19 -4.89 117.46 106.98 1dp0 n PHE 955 Ca 0.15 -2.13 -0.30 0.00 -1.87 0.00 0.00 57.45 53.31 1dp0 n PHE 955 Cb 0.51 0.23 -0.12 0.00 -1.61 0.00 0.00 39.48 38.49 1dp0 n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1dp0 s GLN 956 N -3.02 1.78 0.13 3.97 -1.52 0.14 -1.03 119.66 120.12 1dp0 s GLN 956 Ca 0.30 -1.17 -0.11 0.00 -1.95 0.00 0.00 55.36 52.44 1dp0 s GLN 956 Cb 0.01 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.71 1dp0 s GLN 956 CO 0.21 0.49 0.28 -0.59 -0.25 0.00 0.00 175.29 175.43 1dp0 s PHE 957 N -1.10 0.16 0.03 0.91 -0.12 -0.32 0.67 117.98 118.22 1dp0 s PHE 957 Ca 0.17 -0.54 -0.00 0.00 -0.05 0.00 0.00 56.93 56.51 1dp0 s PHE 957 Cb -0.10 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1dp0 s PHE 957 CO 0.09 -0.65 -0.03 0.54 -0.05 0.00 0.00 175.22 175.11 1dp0 s ASN 958 N -2.89 0.37 -0.16 1.98 2.20 -0.56 -1.11 114.94 114.78 1dp0 s ASN 958 Ca 0.09 -0.65 -0.07 0.00 -0.94 0.00 0.00 52.86 51.28 1dp0 s ASN 958 Cb 0.03 0.12 0.06 0.00 -2.00 0.00 0.00 41.25 39.47 1dp0 s ASN 958 CO -0.07 -0.38 0.36 -0.51 -2.94 0.00 0.00 177.10 173.56 1dp0 s ILE 959 N -2.17 -0.17 0.11 0.54 2.07 -1.26 -1.29 121.20 119.02 1dp0 s ILE 959 Ca -0.09 0.14 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1dp0 s ILE 959 Cb -0.05 -0.55 0.09 0.00 0.13 0.00 0.00 42.46 42.08 1dp0 s ILE 959 CO -0.03 0.06 1.10 -0.94 -1.91 0.00 0.00 174.94 173.22 1dp0 s SER 960 N 1.68 -0.06 -0.01 4.50 1.04 -0.83 -4.57 113.70 115.45 1dp0 s SER 960 Ca -0.07 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1dp0 s SER 960 Cb -0.10 0.38 0.22 0.00 0.10 0.00 0.00 66.02 66.62 1dp0 s SER 960 CO -0.11 -0.72 1.14 0.54 0.98 0.00 0.00 173.24 175.06 1dp0 n ARG 961 N -0.61 1.65 -4.97 4.02 5.12 -1.26 0.18 116.66 120.79 1dp0 n ARG 961 Ca -0.04 -0.88 -0.28 0.00 -1.93 0.00 0.00 57.85 54.71 1dp0 n ARG 961 Cb 0.60 -1.26 -0.16 0.00 -1.16 0.00 0.00 32.46 30.48 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 -1.66 2.03 0.74 -1.55 1.51 -1.26 -0.59 117.35 116.57 1dp0 s TYR 962 Ca 0.16 -0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 55.42 1dp0 s TYR 962 Cb 0.09 -1.37 0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1dp0 s TYR 962 CO 0.10 -0.27 1.08 -1.54 -1.11 0.00 0.00 175.55 173.81 1dp0 s SER 963 N 0.21 4.89 0.35 2.29 1.04 -1.26 -4.82 113.70 116.40 1dp0 s SER 963 Ca -0.10 1.61 0.05 0.00 0.48 0.00 0.00 55.95 57.99 1dp0 s SER 963 Cb -0.15 -2.41 0.66 0.00 0.10 0.00 0.00 66.02 64.23 1dp0 s SER 963 CO 0.05 -1.76 1.91 1.56 0.98 0.00 0.00 173.24 175.98 1dp0 h GLN 964 N -0.94 0.51 -0.10 4.02 1.08 -1.99 -2.25 115.11 115.44 1dp0 h GLN 964 Ca -0.45 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 56.68 1dp0 h GLN 964 Cb 1.23 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1dp0 h GLN 964 CO 0.56 0.50 -0.00 0.37 -0.95 0.00 0.00 178.83 179.31 1dp0 h GLN 965 N 0.49 0.03 -0.60 1.46 4.15 -1.99 0.11 115.11 118.77 1dp0 h GLN 965 Ca 0.11 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1dp0 h GLN 965 Cb 0.26 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1dp0 h GLN 965 CO 0.00 0.02 0.27 0.37 -1.93 0.00 0.00 178.83 177.56 1dp0 h GLN 966 N 0.03 0.88 -0.69 1.69 4.15 -1.86 -0.76 115.11 118.55 1dp0 h GLN 966 Ca 0.05 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1dp0 h GLN 966 Cb 0.05 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1dp0 h GLN 966 CO -0.08 0.72 0.32 -0.07 -1.93 0.00 0.00 178.83 177.80 1dp0 h LEU 967 N 0.83 0.89 -0.39 -2.39 3.38 -0.97 -0.54 115.31 116.12 1dp0 h LEU 967 Ca 0.20 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dp0 h LEU 967 Cb 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1dp0 h LEU 967 CO -0.02 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1dp0 h MET 968 N 0.98 0.00 -0.01 1.13 -0.00 -0.29 -2.95 114.93 113.79 1dp0 h MET 968 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.94 1dp0 h MET 968 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1dp0 h MET 968 CO -0.03 0.00 -0.17 0.39 -0.00 0.00 0.00 176.91 177.10 1dp0 n GLU 969 N -2.99 1.28 -4.87 -0.10 1.02 -0.34 -4.89 120.64 109.75 1dp0 n GLU 969 Ca 0.03 -0.82 -0.33 0.00 -0.02 0.00 0.00 57.16 56.02 1dp0 n GLU 969 Cb 0.45 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.29 2.87 -0.91 2.62 2.01 -0.31 -5.02 115.64 114.61 1dp0 s THR 970 Ca 0.29 -0.74 0.24 0.00 0.31 0.00 0.00 61.69 61.79 1dp0 s THR 970 Cb 0.20 -2.18 -0.08 0.00 0.01 0.00 0.00 72.50 70.45 1dp0 s THR 970 CO 0.44 0.54 1.20 -1.54 -0.69 0.00 0.00 174.62 174.57 1dp0 n SER 971 N 3.37 0.66 -3.87 3.53 3.41 -1.26 -4.30 113.62 115.15 1dp0 n SER 971 Ca -0.18 -0.42 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 1dp0 n SER 971 Cb 0.53 0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 64.88 1dp0 n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1dp0 s HIS 972 N -3.05 0.32 0.51 7.33 3.76 -1.26 -4.43 115.29 118.48 1dp0 s HIS 972 Ca 0.09 -0.03 0.22 0.00 -0.15 0.00 0.00 55.06 55.18 1dp0 s HIS 972 Cb 0.16 -0.32 1.32 0.00 1.11 0.00 0.00 32.58 34.85 1dp0 s HIS 972 CO 0.77 -0.08 2.00 0.07 -0.85 0.00 0.00 174.74 176.65 1dp0 h ARG 973 N 6.71 0.07 0.00 1.40 0.11 -0.91 -1.33 114.38 120.44 1dp0 h ARG 973 Ca -0.35 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1dp0 h ARG 973 Cb 1.16 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1dp0 h ARG 973 CO 0.49 0.05 0.00 -2.39 0.10 0.00 0.00 179.97 178.22 1dp0 n HIS 974 N -4.41 0.73 0.90 4.08 1.44 -1.26 -2.08 115.22 114.62 1dp0 n HIS 974 Ca 0.09 0.30 0.12 0.00 -2.01 0.00 0.00 57.72 56.22 1dp0 n HIS 974 Cb 0.52 -0.99 0.18 0.00 0.12 0.00 0.00 29.99 29.82 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 -2.18 2.91 -4.80 2.39 4.77 -0.50 -4.93 117.00 114.66 1dp0 n LEU 975 Ca 0.02 -1.05 -0.34 0.00 -0.03 0.00 0.00 56.01 54.60 1dp0 n LEU 975 Cb 0.19 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1dp0 n LEU 975 CO 0.17 0.52 0.71 -0.76 -1.33 0.00 0.00 177.39 176.71 1dp0 s LEU 976 N -1.87 3.90 -0.02 2.23 1.43 -0.88 -5.05 118.68 118.42 1dp0 s LEU 976 Ca 0.32 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.37 1dp0 s LEU 976 Cb 0.21 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.93 1dp0 s LEU 976 CO 0.31 -0.70 -0.09 -1.38 0.23 0.00 0.00 176.35 174.72 1dp0 s HIS 977 N -1.95 0.87 0.17 0.29 -3.43 -1.26 -5.11 115.29 104.88 1dp0 s HIS 977 Ca 0.65 -0.19 -0.32 0.00 -0.80 0.00 0.00 55.06 54.40 1dp0 s HIS 977 Cb -0.17 -0.60 -0.12 0.00 -1.43 0.00 0.00 32.58 30.26 1dp0 s HIS 977 CO 0.20 -0.06 1.72 0.00 -2.00 0.00 0.00 174.74 174.60 1dp0 n ALA 978 N 3.12 2.34 -1.95 -1.38 0.00 -1.26 -4.82 120.51 116.56 1dp0 n ALA 978 Ca -0.16 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.41 1dp0 n ALA 978 Cb 0.55 -2.50 0.12 0.00 0.00 0.00 0.00 19.45 17.62 1dp0 n ALA 978 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1dp0 s GLU 979 N 1.47 1.53 0.46 0.00 2.02 0.24 -5.01 118.70 119.42 1dp0 s GLU 979 Ca 0.78 -0.63 -0.22 0.00 0.02 0.00 0.00 54.97 54.91 1dp0 s GLU 979 Cb -0.54 -2.14 -0.08 0.00 0.10 0.00 0.00 34.13 31.47 1dp0 s GLU 979 CO 0.35 -1.67 1.11 -2.00 0.02 0.00 0.00 175.26 173.08 1dp0 s GLU 980 N -5.39 3.78 2.70 1.61 2.12 -1.26 -4.78 118.70 117.47 1dp0 s GLU 980 Ca 0.67 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.62 1dp0 s GLU 980 Cb -0.07 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.00 1dp0 s GLU 980 CO 0.47 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1dp0 n GLY 981 N 0.27 -0.24 2.88 -1.50 0.00 -1.26 -4.84 105.19 100.50 1dp0 n GLY 981 Ca 0.08 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 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 0.45 -0.13 2.61 2.01 -0.58 -4.70 115.64 115.30 1dp0 s THR 982 Ca 0.00 -0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 1dp0 s THR 982 Cb 0.00 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1dp0 s THR 982 CO 0.00 0.20 0.59 0.26 -0.69 0.00 0.00 174.62 174.98 1dp0 s TRP 983 N 0.90 3.48 -0.13 4.92 0.52 0.13 0.30 118.94 129.06 1dp0 s TRP 983 Ca -0.11 0.99 0.03 0.00 0.02 0.00 0.00 56.10 57.03 1dp0 s TRP 983 Cb -0.14 -2.70 0.01 0.00 -1.15 0.00 0.00 33.47 29.48 1dp0 s TRP 983 CO -0.00 0.03 -0.22 -1.17 0.02 0.00 0.00 176.95 175.61 1dp0 s LEU 984 N 1.10 2.12 -0.21 2.99 2.96 -0.26 -1.96 118.68 125.42 1dp0 s LEU 984 Ca 0.30 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1dp0 s LEU 984 Cb -0.16 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1dp0 s LEU 984 CO 0.12 0.11 -0.13 0.20 -1.32 0.00 0.00 176.35 175.34 1dp0 s ASN 985 N 0.63 3.78 -0.19 3.68 0.01 -0.42 -1.63 114.94 120.81 1dp0 s ASN 985 Ca -0.12 -0.73 0.01 0.00 -0.71 0.00 0.00 52.86 51.32 1dp0 s ASN 985 Cb -0.16 -1.58 0.03 0.00 0.41 0.00 0.00 41.25 39.94 1dp0 s ASN 985 CO 0.02 -0.05 -0.19 -0.51 -1.51 0.00 0.00 177.10 174.86 1dp0 s ILE 986 N 1.32 2.05 -0.16 0.60 2.07 -0.38 -1.50 121.20 125.21 1dp0 s ILE 986 Ca 0.03 -1.01 -0.06 0.00 -1.41 0.00 0.00 60.65 58.20 1dp0 s ILE 986 Cb -0.15 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.51 1dp0 s ILE 986 CO -0.08 0.46 0.03 -1.81 -1.91 0.00 0.00 174.94 171.63 1dp0 s ASP 987 N 1.28 5.40 0.22 4.50 1.01 0.21 -0.11 116.67 129.18 1dp0 s ASP 987 Ca 0.03 0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.41 1dp0 s ASP 987 Cb -0.14 -1.85 0.19 0.00 1.01 0.00 0.00 42.92 42.14 1dp0 s ASP 987 CO -0.12 0.22 1.51 1.23 0.21 0.00 0.00 175.17 178.22 1dp0 h GLY 988 N 6.37 0.15 -4.86 0.21 0.00 -0.99 0.44 103.07 104.38 1dp0 h GLY 988 Ca -0.38 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 46.60 1dp0 h GLY 988 CO 0.66 0.19 -0.38 -1.36 0.00 0.00 0.00 176.54 175.64 1dp0 s PHE 989 N -3.51 -0.15 -0.03 5.60 0.40 -1.00 -4.67 117.98 114.62 1dp0 s PHE 989 Ca -0.02 0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.56 1dp0 s PHE 989 Cb 0.12 0.05 0.01 0.00 0.51 0.00 0.00 43.02 43.71 1dp0 s PHE 989 CO 0.79 -0.28 0.10 -1.58 0.70 0.00 0.00 175.22 174.96 1dp0 s HIS 990 N -0.86 -0.08 0.61 0.36 2.46 -1.26 -1.40 115.29 115.12 1dp0 s HIS 990 Ca -0.09 0.19 -0.15 0.00 0.47 0.00 0.00 55.06 55.48 1dp0 s HIS 990 Cb -0.05 0.02 -0.03 0.00 -0.13 0.00 0.00 32.58 32.39 1dp0 s HIS 990 CO 0.02 -0.09 1.07 1.41 -2.47 0.00 0.00 174.74 174.68 1dp0 s MET 991 N -0.17 3.20 0.96 2.88 1.75 0.31 -4.76 119.30 123.46 1dp0 s MET 991 Ca -0.02 1.21 -0.11 0.00 -1.25 0.00 0.00 55.69 55.51 1dp0 s MET 991 Cb -0.02 -2.02 0.17 0.00 2.84 0.00 0.00 34.83 35.80 1dp0 s MET 991 CO 0.00 -0.90 1.09 0.20 -0.65 0.00 0.00 175.02 174.76 1dp0 s GLY 992 N -2.84 1.62 -0.02 2.11 0.00 -0.75 -4.68 107.32 102.76 1dp0 s GLY 992 Ca 0.64 0.07 0.22 0.00 0.00 0.00 0.00 44.72 45.64 1dp0 s GLY 992 CO 0.39 0.59 0.62 0.29 0.00 0.00 0.00 173.10 174.98 1dp0 n ILE 993 N -4.18 0.01 -4.76 0.90 -5.35 -1.26 -4.93 119.36 99.78 1dp0 n ILE 993 Ca 0.07 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1dp0 n ILE 993 Cb 0.54 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.33 0.02 0.00 3.28 0.00 -1.26 -4.77 105.19 103.78 1dp0 n GLY 994 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.10 0.41 -0.02 0.00 -1.26 -0.97 105.19 103.24 1dp0 n GLY 995 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 0.41 -5.26 1.61 3.32 -1.80 -1.62 116.42 113.08 1dp0 h ASP 996 Ca 0.00 0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1dp0 h ASP 996 Cb 0.00 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 1dp0 h ASP 996 CO 0.00 -0.04 -0.16 1.51 -1.72 0.00 0.00 179.24 178.83 1dp0 s ASP 997 N -4.94 -0.07 -0.21 6.45 1.47 -1.26 -4.08 116.67 114.02 1dp0 s ASP 997 Ca -0.09 -0.95 0.12 0.00 1.18 0.00 0.00 52.55 52.82 1dp0 s ASP 997 Cb 0.28 0.57 0.42 0.00 -0.34 0.00 0.00 42.92 43.84 1dp0 s ASP 997 CO 0.80 -1.11 1.27 -1.20 0.68 0.00 0.00 175.17 175.61 1dp0 n SER 998 N -0.37 2.07 0.00 2.11 7.64 -1.26 -4.62 113.62 119.19 1dp0 n SER 998 Ca -0.02 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.16 1dp0 n SER 998 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.15 0.00 -3.72 1.43 2.14 -1.26 -4.16 117.44 110.72 1dp0 n TRP 999 Ca 0.21 -0.12 -0.11 0.00 2.07 0.00 0.00 57.50 59.56 1dp0 n TRP 999 Cb 0.76 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 31.19 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 -0.24 -0.14 0.15 -0.67 1.04 -1.26 -4.46 113.70 108.12 1dp0 s SER 1000Ca 0.00 -0.28 -0.33 0.00 0.48 0.00 0.00 55.95 55.82 1dp0 s SER 1000Cb 0.00 0.40 -0.13 0.00 0.10 0.00 0.00 66.02 66.39 1dp0 s SER 1000CO 0.00 -0.71 1.68 -2.65 0.98 0.00 0.00 173.24 172.54 1dp0 n PRO 1001N 0.23 2.42 0.00 4.02 -0.02 -1.26 -4.78 135.00 135.60 1dp0 n PRO 1001Ca -0.17 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1dp0 n PRO 1001Cb 0.61 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 4.09 0.72 -4.67 2.55 3.41 -1.26 -4.98 113.62 113.48 1dp0 n SER 1002Ca 0.17 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.05 1dp0 n SER 1002Cb 0.32 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.30 4.75 0.54 -3.33 1.01 -1.26 -4.34 120.40 117.46 1dp0 s VAL 1003Ca 0.00 1.96 -0.22 0.00 0.00 0.00 0.00 61.98 63.72 1dp0 s VAL 1003Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1dp0 s VAL 1003CO 0.00 -0.08 1.32 -0.24 0.00 0.00 0.00 175.10 176.09 1dp0 n SER 1004N 5.72 2.50 -0.34 3.32 2.88 -1.26 -4.85 113.62 121.59 1dp0 n SER 1004Ca 0.10 0.98 0.15 0.00 -1.33 0.00 0.00 58.87 58.76 1dp0 n SER 1004Cb 0.47 -1.55 0.36 0.00 -0.75 0.00 0.00 64.21 62.74 1dp0 n SER 1004CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dp0 h ALA 1005N 1.41 1.78 0.00 -1.46 0.00 -1.96 0.13 119.26 119.16 1dp0 h ALA 1005Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1dp0 h ALA 1005Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1dp0 h ALA 1005CO 0.57 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.80 1dp0 n GLU 1006N -4.76 0.18 -0.14 0.00 0.00 -1.26 -1.98 120.64 112.67 1dp0 n GLU 1006Ca 0.24 0.51 0.08 0.00 0.00 0.00 0.00 57.16 57.99 1dp0 n GLU 1006Cb 0.64 -1.92 0.16 0.00 0.00 0.00 0.00 31.44 30.32 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 -2.26 0.38 -3.33 -1.84 3.01 0.45 -4.97 117.46 108.89 1dp0 n PHE 1007Ca 0.01 -0.28 -0.35 0.00 1.01 0.00 0.00 57.45 57.84 1dp0 n PHE 1007Cb 0.16 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.17 4.01 -1.23 -1.08 -0.21 -0.83 -1.80 119.66 117.34 1dp0 s GLN 1008Ca 0.28 0.53 -0.13 0.00 0.02 0.00 0.00 55.36 56.05 1dp0 s GLN 1008Cb 0.16 -2.93 0.16 0.00 1.00 0.00 0.00 33.01 31.41 1dp0 s GLN 1008CO 0.22 0.47 1.54 1.28 -2.12 0.00 0.00 175.29 176.68 1dp0 n LEU 1009N 0.80 5.48 -0.70 2.90 4.77 -1.26 -4.71 117.00 124.27 1dp0 n LEU 1009Ca -0.05 -4.46 0.06 0.00 -0.03 0.00 0.00 56.01 51.53 1dp0 n LEU 1009Cb 0.52 -1.60 0.17 0.00 -2.33 0.00 0.00 43.42 40.17 1dp0 n LEU 1009CO 0.42 0.82 0.64 -1.54 -1.33 0.00 0.00 177.39 176.40 1dp0 n SER 1010N 5.46 3.01 0.22 -1.43 3.41 -1.26 -4.32 113.62 118.70 1dp0 n SER 1010Ca 0.38 -1.99 0.15 0.00 -0.26 0.00 0.00 58.87 57.15 1dp0 n SER 1010Cb 0.42 -0.25 0.66 0.00 -0.26 0.00 0.00 64.21 64.78 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 2.25 1.00 0.00 7.33 0.00 -1.98 -3.47 119.26 124.39 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 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1dp0 h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1dp0 n GLY 1012N -0.26 2.07 3.12 0.00 0.00 -1.26 -4.90 105.19 103.96 1dp0 n GLY 1012Ca 0.01 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 1.61 0.01 1.61 0.52 -1.26 -0.55 118.95 120.89 1dp0 s ARG 1013Ca 0.00 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1dp0 s ARG 1013Cb 0.00 -1.43 -0.01 0.00 0.52 0.00 0.00 34.95 34.03 1dp0 s ARG 1013CO 0.00 0.25 -0.07 0.71 0.02 0.00 0.00 175.30 176.21 1dp0 s TYR 1014N -0.01 0.60 0.00 -0.53 1.51 -0.45 -4.98 117.35 113.50 1dp0 s TYR 1014Ca -0.02 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1dp0 s TYR 1014Cb -0.10 -0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1dp0 s TYR 1014CO 0.01 -0.03 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.76 1dp0 s HIS 1015N -0.54 0.75 0.10 2.71 5.65 -1.26 -0.08 115.29 122.62 1dp0 s HIS 1015Ca -0.01 -0.20 -0.17 0.00 0.25 0.00 0.00 55.06 54.93 1dp0 s HIS 1015Cb -0.05 -0.47 0.04 0.00 -1.18 0.00 0.00 32.58 30.91 1dp0 s HIS 1015CO 0.00 -0.01 0.41 1.52 -0.65 0.00 0.00 174.74 176.00 1dp0 s TYR 1016N -0.38 -0.22 -0.05 3.88 -0.85 -0.24 -5.02 117.35 114.47 1dp0 s TYR 1016Ca 0.01 -0.02 -0.11 0.00 -0.52 0.00 0.00 57.07 56.44 1dp0 s TYR 1016Cb -0.04 0.25 0.02 0.00 0.38 0.00 0.00 41.96 42.57 1dp0 s TYR 1016CO -0.00 -0.67 0.26 1.14 -1.52 0.00 0.00 175.55 174.76 1dp0 s GLN 1017N -3.44 0.49 0.03 -3.49 -2.07 -1.26 -0.42 119.66 109.50 1dp0 s GLN 1017Ca 0.01 -0.00 -0.01 0.00 -1.82 0.00 0.00 55.36 53.54 1dp0 s GLN 1017Cb 0.01 0.22 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 1dp0 s GLN 1017CO -0.09 -0.11 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.23 1dp0 s LEU 1018N -0.74 2.30 -0.14 2.60 1.43 0.19 -4.28 118.68 120.03 1dp0 s LEU 1018Ca -0.08 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1dp0 s LEU 1018Cb -0.04 0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.34 1dp0 s LEU 1018CO 0.02 -0.40 -0.22 -0.69 0.23 0.00 0.00 176.35 175.29 1dp0 s VAL 1019N -2.26 2.07 -0.17 -1.59 1.01 0.37 0.82 120.40 120.66 1dp0 s VAL 1019Ca -0.09 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1dp0 s VAL 1019Cb -0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1dp0 s VAL 1019CO -0.04 0.55 -0.01 0.86 0.00 0.00 0.00 175.10 176.46 1dp0 s TRP 1020N 0.79 3.06 0.25 5.22 -0.11 0.41 -0.43 118.94 128.13 1dp0 s TRP 1020Ca -0.08 -0.28 -0.03 0.00 1.22 0.00 0.00 56.10 56.94 1dp0 s TRP 1020Cb -0.16 -2.01 -0.03 0.00 -1.50 0.00 0.00 33.47 29.78 1dp0 s TRP 1020CO -0.01 -0.05 0.27 0.00 -4.62 0.00 0.00 176.95 172.53 1dp0 s GLN 1022N -3.89 3.75 0.00 0.00 0.74 -1.26 -1.43 119.66 117.57 1dp0 s GLN 1022Ca 0.35 0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1dp0 s GLN 1022Cb 0.04 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 31.19 1dp0 s GLN 1022CO 0.15 0.53 0.16 1.17 -0.55 0.00 0.00 175.29 176.75