#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up8 s ILE 2 N 0.00 4.77 0.46 -0.61 1.01 -1.26 -5.00 121.20 120.57 1up8 s ILE 2 Ca 0.00 1.74 -0.22 0.00 0.00 0.00 0.00 60.65 62.16 1up8 s ILE 2 Cb 0.00 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 1up8 s ILE 2 CO 0.00 -0.13 0.80 -2.65 0.00 0.00 0.00 174.94 172.96 1up8 n PRO 3 N 6.15 0.94 -3.87 2.79 -0.02 -1.26 -5.01 135.00 134.72 1up8 n PRO 3 Ca 0.08 0.34 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1up8 n PRO 3 Cb 0.47 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1up8 n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1up8 s ALA 4 N -1.42 -0.45 0.25 3.55 0.00 -1.26 -5.17 121.76 117.26 1up8 s ALA 4 Ca 0.65 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1up8 s ALA 4 Cb -0.54 0.89 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1up8 s ALA 4 CO 0.56 -0.76 0.28 -0.40 0.00 0.00 0.00 175.76 175.44 1up8 n ASP 5 N -0.30 1.32 -4.11 0.00 5.75 -1.26 -5.16 116.55 112.78 1up8 n ASP 5 Ca -0.07 -1.76 -0.08 0.00 -0.01 0.00 0.00 54.79 52.86 1up8 n ASP 5 Cb 0.62 -0.12 -0.10 0.00 -1.03 0.00 0.00 41.12 40.50 1up8 n ASP 5 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1up8 s ASN 6 N -2.54 0.69 0.37 -1.12 4.22 -1.26 -5.16 114.94 110.13 1up8 s ASN 6 Ca 0.21 -0.98 -0.04 0.00 -2.14 0.00 0.00 52.86 49.92 1up8 s ASN 6 Cb -0.02 0.16 -0.04 0.00 1.28 0.00 0.00 41.25 42.63 1up8 s ASN 6 CO 0.14 -0.54 0.63 -0.76 -2.04 0.00 0.00 177.10 174.53 1up8 s LEU 7 N -2.89 3.91 0.00 3.54 1.43 -1.26 -5.12 118.68 118.29 1up8 s LEU 7 Ca 0.07 0.73 0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1up8 s LEU 7 Cb 0.06 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1up8 s LEU 7 CO -0.08 -0.34 0.28 0.00 0.23 0.00 0.00 176.35 176.44 1up8 n GLN 8 N -1.57 0.43 -1.38 1.70 10.64 -1.26 -5.14 117.38 120.80 1up8 n GLN 8 Ca -0.02 -3.41 -0.34 0.00 -1.83 0.00 0.00 57.00 51.40 1up8 n GLN 8 Cb 0.55 2.74 0.10 0.00 -0.86 0.00 0.00 30.24 32.77 1up8 n GLN 8 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1up8 s SER 9 N -3.39 4.12 0.21 2.61 1.04 -1.26 -4.82 113.70 112.21 1up8 s SER 9 Ca 0.40 2.33 -0.09 0.00 0.48 0.00 0.00 55.95 59.06 1up8 s SER 9 Cb 0.02 -2.59 0.22 0.00 0.10 0.00 0.00 66.02 63.78 1up8 s SER 9 CO 0.28 -2.31 1.83 -0.09 0.98 0.00 0.00 173.24 173.93 1up8 h ARG 10 N -0.42 0.77 -0.66 4.02 9.65 -2.01 -1.69 114.38 124.04 1up8 h ARG 10 Ca -0.47 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 1up8 h ARG 10 Cb 1.29 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 1up8 h ARG 10 CO 0.49 0.51 0.37 0.00 2.80 0.00 0.00 179.97 184.14 1up8 h ALA 11 N 1.33 0.84 -0.37 2.80 0.00 -2.00 -0.23 119.26 121.63 1up8 h ALA 11 Ca 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1up8 h ALA 11 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1up8 h ALA 11 CO -0.14 0.35 -0.16 -0.22 0.00 0.00 0.00 179.25 179.07 1up8 h LYS 12 N 0.90 0.68 -0.43 0.00 1.63 -1.87 -2.24 116.57 115.24 1up8 h LYS 12 Ca 0.23 -0.24 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1up8 h LYS 12 Cb 0.02 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1up8 h LYS 12 CO -0.04 0.81 -0.12 0.00 -3.45 0.00 0.00 179.45 176.66 1up8 h ALA 13 N 1.21 0.60 0.09 5.00 0.00 -0.67 -1.35 119.26 124.14 1up8 h ALA 13 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1up8 h ALA 13 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1up8 h ALA 13 CO 0.04 0.50 -0.15 1.03 0.00 0.00 0.00 179.25 180.67 1up8 h SER 14 N 0.67 -0.42 -0.27 0.00 0.87 -1.00 -1.34 113.55 112.06 1up8 h SER 14 Ca 0.11 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1up8 h SER 14 Cb 0.66 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 1up8 h SER 14 CO 0.05 -0.22 -0.05 0.15 -0.53 0.00 0.00 176.83 176.22 1up8 h PHE 15 N -0.30 -0.11 -0.57 2.24 3.57 -1.35 -1.81 116.94 118.61 1up8 h PHE 15 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1up8 h PHE 15 Cb 0.32 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1up8 h PHE 15 CO -0.16 -0.10 0.35 -0.44 -2.23 0.00 0.00 178.31 175.73 1up8 h ASP 16 N 0.02 0.67 -0.31 0.41 3.32 -1.23 -1.55 116.42 117.74 1up8 h ASP 16 Ca 0.13 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1up8 h ASP 16 Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1up8 h ASP 16 CO -0.26 0.50 0.03 0.74 -1.72 0.00 0.00 179.24 178.53 1up8 h THR 17 N 0.78 1.24 -0.75 0.35 2.02 -0.52 -1.14 112.91 114.89 1up8 h THR 17 Ca 0.21 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1up8 h THR 17 Cb -0.05 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1up8 h THR 17 CO -0.04 0.28 0.30 0.03 0.37 0.00 0.00 175.52 176.46 1up8 h ARG 18 N 0.34 1.11 -0.60 6.66 3.08 -0.99 -2.25 114.38 121.73 1up8 h ARG 18 Ca 0.09 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1up8 h ARG 18 Cb 0.38 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1up8 h ARG 18 CO 0.01 0.91 0.18 0.28 -1.07 0.00 0.00 179.97 180.28 1up8 h VAL 19 N 1.07 1.24 -0.18 2.04 2.07 -1.23 -1.83 116.25 119.45 1up8 h VAL 19 Ca 0.25 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1up8 h VAL 19 Cb 0.21 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1up8 h VAL 19 CO -0.02 0.32 -0.20 0.00 0.02 0.00 0.00 177.57 177.69 1up8 h ALA 20 N 1.05 1.34 -0.30 1.67 0.00 -1.04 0.07 119.26 122.05 1up8 h ALA 20 Ca 0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1up8 h ALA 20 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1up8 h ALA 20 CO -0.00 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 179.52 1up8 h ALA 21 N 1.52 0.42 -0.69 0.00 0.00 -1.20 -2.04 119.26 117.27 1up8 h ALA 21 Ca 0.05 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1up8 h ALA 21 Cb 0.51 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1up8 h ALA 21 CO 0.03 0.34 0.41 0.00 0.00 0.00 0.00 179.25 180.04 1up8 h ALA 22 N 0.75 0.91 -0.67 0.00 0.00 -0.79 -1.81 119.26 117.64 1up8 h ALA 22 Ca 0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1up8 h ALA 22 Cb 0.71 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1up8 h ALA 22 CO 0.05 0.14 0.22 1.49 0.00 0.00 0.00 179.25 181.15 1up8 h GLU 23 N 0.78 1.02 -0.53 0.00 4.57 -1.00 0.10 114.58 119.52 1up8 h GLU 23 Ca 0.29 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1up8 h GLU 23 Cb 0.10 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1up8 h GLU 23 CO -0.14 0.87 -0.04 1.25 -1.18 0.00 0.00 179.01 179.76 1up8 h LEU 24 N 0.99 0.95 -0.62 1.64 6.46 -1.15 0.18 115.31 123.75 1up8 h LEU 24 Ca 0.22 -0.32 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1up8 h LEU 24 Cb 0.26 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1up8 h LEU 24 CO -0.01 1.05 0.34 0.00 -0.62 0.00 0.00 178.44 179.20 1up8 h ALA 25 N 0.94 0.80 -0.53 1.25 0.00 -0.90 -3.01 119.26 117.80 1up8 h ALA 25 Ca 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1up8 h ALA 25 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1up8 h ALA 25 CO 0.03 0.31 -0.13 1.25 0.00 0.00 0.00 179.25 180.72 1up8 h LEU 26 N 0.85 1.03 -0.54 0.00 5.85 -0.68 -2.96 115.31 118.86 1up8 h LEU 26 Ca 0.22 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1up8 h LEU 26 Cb 0.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1up8 h LEU 26 CO -0.04 1.15 0.00 0.59 -0.34 0.00 0.00 178.44 179.81 1up8 n ASN 27 N -4.13 0.30 0.17 1.25 3.02 0.59 -1.99 115.26 114.47 1up8 n ASN 27 Ca 0.01 0.61 0.14 0.00 -0.03 0.00 0.00 54.58 55.31 1up8 n ASN 27 Cb 0.42 -0.66 0.49 0.00 -0.61 0.00 0.00 39.78 39.42 1up8 n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1up8 h ARG 28 N 0.00 0.00 0.00 3.52 3.08 -1.41 -3.49 114.38 116.08 1up8 h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1up8 h ARG 28 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1up8 h ARG 28 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1up8 n GLY 29 N 0.39 -1.25 3.25 0.04 0.00 -0.84 -4.99 105.19 101.78 1up8 n GLY 29 Ca 0.03 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1up8 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1up8 s VAL 30 N 0.00 0.05 0.03 1.61 0.11 -1.26 -4.98 120.40 115.96 1up8 s VAL 30 Ca 0.00 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1up8 s VAL 30 Cb 0.00 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1up8 s VAL 30 CO 0.00 -0.23 -0.13 0.68 -3.33 0.00 0.00 175.10 172.09 1up8 s VAL 31 N -1.24 1.02 0.68 2.04 -7.23 -0.99 -5.06 120.40 109.61 1up8 s VAL 31 Ca -0.13 -0.92 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 1up8 s VAL 31 Cb -0.05 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.96 1up8 s VAL 31 CO 0.04 0.01 1.05 -2.16 -0.31 0.00 0.00 175.10 173.73 1up8 s PRO 32 N -1.04 3.07 -0.11 4.82 0.04 -1.26 -4.49 135.00 136.03 1up8 s PRO 32 Ca 0.01 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 1up8 s PRO 32 Cb -0.07 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1up8 s PRO 32 CO 0.01 -0.99 -0.10 -1.12 0.04 0.00 0.00 177.00 174.84 1up8 s SER 33 N -3.81 4.34 -0.08 6.66 0.01 -1.26 -4.75 113.70 114.80 1up8 s SER 33 Ca 0.58 -0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.64 1up8 s SER 33 Cb -0.14 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 1up8 s SER 33 CO 0.54 0.23 -0.05 -0.36 0.41 0.00 0.00 173.24 174.01 1up8 s PHE 34 N -0.04 3.00 0.42 2.43 0.40 -1.26 -5.09 117.98 117.82 1up8 s PHE 34 Ca -0.01 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 1up8 s PHE 34 Cb -0.14 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1up8 s PHE 34 CO 0.03 0.34 0.59 0.00 0.70 0.00 0.00 175.22 176.89 1up8 s ALA 35 N -0.74 4.09 -2.00 5.36 0.00 -1.26 -3.09 121.76 124.11 1up8 s ALA 35 Ca 0.11 -1.35 0.28 0.00 0.00 0.00 0.00 51.96 51.01 1up8 s ALA 35 Cb -0.11 -1.87 1.69 0.00 0.00 0.00 0.00 23.12 22.82 1up8 s ALA 35 CO 0.02 -0.29 2.08 0.27 0.00 0.00 0.00 175.76 177.83 1up8 n ASN 36 N -1.92 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 107.46 1up8 n ASN 36 Ca 0.03 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.00 1up8 n ASN 36 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1up8 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1up8 n GLY 37 N 0.91 1.73 0.29 4.83 0.00 -1.26 -4.95 105.19 106.74 1up8 n GLY 37 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1up8 n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1up8 h GLU 38 N 2.90 0.59 -0.89 1.61 5.08 -1.99 -3.05 114.58 118.83 1up8 h GLU 38 Ca 0.00 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1up8 h GLU 38 Cb 0.00 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1up8 h GLU 38 CO 0.00 0.51 0.58 1.49 -1.00 0.00 0.00 179.01 180.59 1up8 h GLU 39 N 0.58 0.98 -0.01 2.33 4.81 -1.94 -2.33 114.58 119.00 1up8 h GLU 39 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1up8 h GLU 39 Cb 0.16 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1up8 h GLU 39 CO -0.01 0.65 -0.43 1.28 -0.73 0.00 0.00 179.01 179.76 1up8 n LEU 40 N -4.49 1.39 0.07 1.64 4.77 -1.24 -4.52 117.00 114.62 1up8 n LEU 40 Ca 0.13 -0.70 -0.13 0.00 -0.03 0.00 0.00 56.01 55.29 1up8 n LEU 40 Cb 0.20 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1up8 n LEU 40 CO 0.33 0.28 0.61 0.25 -1.33 0.00 0.00 177.39 177.52 1up8 h LEU 41 N 1.33 -0.16 -9.30 2.23 5.85 -1.30 -3.45 115.31 110.52 1up8 h LEU 41 Ca 0.00 -0.29 -0.56 0.00 0.84 0.00 0.00 57.88 57.87 1up8 h LEU 41 Cb 0.50 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1up8 h LEU 41 CO 0.00 0.23 0.43 -0.31 -0.34 0.00 0.00 178.44 178.45 1up8 s TYR 42 N -4.58 3.55 0.11 1.25 4.12 -1.18 -5.02 117.35 115.60 1up8 s TYR 42 Ca -0.15 1.54 0.06 0.00 0.02 0.00 0.00 57.07 58.54 1up8 s TYR 42 Cb 0.02 -3.10 -0.04 0.00 -1.52 0.00 0.00 41.96 37.32 1up8 s TYR 42 CO 0.60 -0.13 -0.02 1.03 0.02 0.00 0.00 175.55 177.05 1up8 s ARG 43 N 1.62 2.43 0.17 -0.62 1.81 -1.26 -1.36 118.95 121.74 1up8 s ARG 43 Ca 0.47 -0.92 -0.33 0.00 -1.72 0.00 0.00 55.73 53.23 1up8 s ARG 43 Cb -0.19 -2.46 -0.12 0.00 -0.45 0.00 0.00 34.95 31.73 1up8 s ARG 43 CO 0.20 0.52 1.70 -1.71 -0.68 0.00 0.00 175.30 175.33 1up8 n ASN 44 N 0.47 3.70 0.23 0.23 2.85 -0.64 -4.50 115.26 117.60 1up8 n ASN 44 Ca -0.11 1.05 0.15 0.00 -0.11 0.00 0.00 54.58 55.56 1up8 n ASN 44 Cb 0.53 -1.52 0.49 0.00 1.24 0.00 0.00 39.78 40.52 1up8 n ASN 44 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1up8 h PRO 45 N 6.84 0.00 -6.16 1.20 0.13 -1.96 -3.44 132.00 128.61 1up8 h PRO 45 Ca -0.44 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 1up8 h PRO 45 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1up8 h PRO 45 CO 0.93 0.00 1.33 -3.47 -0.23 0.00 0.00 178.00 176.56 1up8 n ASP 46 N -2.93 3.47 0.20 1.44 2.03 -1.26 -4.94 116.55 114.56 1up8 n ASP 46 Ca 0.02 0.60 0.04 0.00 0.52 0.00 0.00 54.79 55.97 1up8 n ASP 46 Cb 0.37 -1.48 0.43 0.00 -0.72 0.00 0.00 41.12 39.72 1up8 n ASP 46 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1up8 h PRO 47 N 12.23 0.02 -1.00 -0.67 0.11 -2.03 -2.54 132.00 138.12 1up8 h PRO 47 Ca -0.44 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.45 1up8 h PRO 47 Cb 1.26 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 1up8 h PRO 47 CO 0.96 0.29 0.28 -0.25 -0.21 0.00 0.00 178.00 179.06 1up8 n ASP 48 N -4.22 3.31 -4.15 -2.05 8.00 -1.26 -4.88 116.55 111.30 1up8 n ASP 48 Ca -0.02 -2.67 -0.22 0.00 0.71 0.00 0.00 54.79 52.58 1up8 n ASP 48 Cb 0.32 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 1up8 n ASP 48 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1up8 s ASN 49 N 0.03 1.85 -0.16 -2.24 3.84 -0.96 -5.06 114.94 112.24 1up8 s ASN 49 Ca 0.24 -0.38 0.14 0.00 0.21 0.00 0.00 52.86 53.07 1up8 s ASN 49 Cb 0.20 -0.17 0.40 0.00 -0.55 0.00 0.00 41.25 41.14 1up8 s ASN 49 CO 0.05 0.13 1.20 0.35 -2.79 0.00 0.00 177.10 176.04 1up8 n THR 50 N 2.29 1.76 -3.98 -5.21 -2.24 -1.26 -4.94 114.28 100.70 1up8 n THR 50 Ca -0.16 -2.72 -0.31 0.00 -2.27 0.00 0.00 64.05 58.59 1up8 n THR 50 Cb 0.55 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1up8 n THR 50 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1up8 s ASP 51 N -2.95 6.00 0.75 3.42 1.01 -1.26 -5.05 116.67 118.59 1up8 s ASP 51 Ca 0.36 0.17 -0.14 0.00 0.71 0.00 0.00 52.55 53.65 1up8 s ASP 51 Cb 0.36 -1.77 0.05 0.00 1.01 0.00 0.00 42.92 42.58 1up8 s ASP 51 CO -0.08 0.19 1.17 -2.84 0.21 0.00 0.00 175.17 173.83 1up8 s PRO 52 N -2.31 2.06 0.05 8.23 0.02 -1.26 -1.62 135.00 140.16 1up8 s PRO 52 Ca 0.31 1.62 0.17 0.00 0.02 0.00 0.00 61.00 63.12 1up8 s PRO 52 Cb -0.13 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 1up8 s PRO 52 CO 0.23 -1.87 0.79 -1.13 -0.33 0.00 0.00 177.00 174.70 1up8 n SER 53 N -3.00 0.81 -1.61 2.53 3.41 -0.46 -4.42 113.62 110.88 1up8 n SER 53 Ca 0.12 0.35 -0.19 0.00 -0.26 0.00 0.00 58.87 58.89 1up8 n SER 53 Cb 0.51 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 1up8 n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1up8 n PHE 54 N -2.86 -0.15 0.24 7.33 3.01 -1.26 -4.55 117.46 119.22 1up8 n PHE 54 Ca -0.10 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.45 1up8 n PHE 54 Cb 0.83 -3.36 0.58 0.00 -0.01 0.00 0.00 39.48 37.53 1up8 n PHE 54 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1up8 h ILE 55 N 0.00 0.85 -0.14 4.37 3.07 -1.93 -2.36 117.51 121.37 1up8 h ILE 55 Ca -0.41 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.26 1up8 h ILE 55 Cb 1.28 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 1up8 h ILE 55 CO 0.58 0.19 0.00 0.00 -1.05 0.00 0.00 178.15 177.87 1up8 n ALA 56 N -2.37 2.50 -2.72 0.16 0.00 -1.26 -4.91 120.51 111.90 1up8 n ALA 56 Ca -0.02 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.46 1up8 n ALA 56 Cb 0.28 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 1up8 n ALA 56 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1up8 s SER 57 N -1.77 6.48 -0.13 0.00 0.01 -0.89 -2.22 113.70 115.17 1up8 s SER 57 Ca 0.34 0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.86 1up8 s SER 57 Cb 0.20 -2.08 -0.06 0.00 0.21 0.00 0.00 66.02 64.30 1up8 s SER 57 CO 0.30 0.12 1.93 0.12 0.41 0.00 0.00 173.24 176.12 1up8 s PHE 58 N -1.55 1.52 -0.05 2.43 5.36 -0.40 -4.43 117.98 120.86 1up8 s PHE 58 Ca 0.37 0.19 0.08 0.00 -0.96 0.00 0.00 56.93 56.61 1up8 s PHE 58 Cb -0.13 -4.05 0.12 0.00 -0.34 0.00 0.00 43.02 38.62 1up8 s PHE 58 CO 0.23 -4.23 1.01 0.25 -1.46 0.00 0.00 175.22 171.02 1up8 n THR 59 N 6.51 0.87 -1.68 0.12 -2.24 -1.26 -4.98 114.28 111.63 1up8 n THR 59 Ca 0.23 -1.02 -0.46 0.00 -2.27 0.00 0.00 64.05 60.53 1up8 n THR 59 Cb 0.44 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1up8 n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1up8 n LYS 60 N -0.64 2.29 0.00 -0.78 4.81 -1.26 -1.92 118.16 120.66 1up8 n LYS 60 Ca 0.07 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1up8 n LYS 60 Cb 0.61 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1up8 n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1up8 n GLY 61 N 3.71 1.80 3.80 3.14 0.00 0.03 -4.96 105.19 112.71 1up8 n GLY 61 Ca 0.18 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1up8 n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up8 s LEU 62 N 0.00 4.39 0.15 0.99 1.43 -0.81 -0.81 118.68 124.02 1up8 s LEU 62 Ca 0.00 1.53 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 1up8 s LEU 62 Cb 0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1up8 s LEU 62 CO 0.00 0.05 1.67 -2.16 0.23 0.00 0.00 176.35 176.14 1up8 s PRO 63 N -1.83 4.18 0.11 1.29 0.04 -1.26 -4.66 135.00 132.86 1up8 s PRO 63 Ca 0.43 2.45 0.05 0.00 0.04 0.00 0.00 61.00 63.97 1up8 s PRO 63 Cb -0.18 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1up8 s PRO 63 CO 0.22 -0.71 0.02 -1.01 0.04 0.00 0.00 177.00 175.56 1up8 s HIS 64 N 1.73 2.99 0.37 0.56 3.76 -1.26 -1.90 115.29 121.53 1up8 s HIS 64 Ca 0.74 -0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 55.56 1up8 s HIS 64 Cb -0.45 -1.51 0.08 0.00 1.11 0.00 0.00 32.58 31.81 1up8 s HIS 64 CO 0.32 0.49 0.50 -0.40 -0.85 0.00 0.00 174.74 174.81 1up8 n ASP 65 N 0.36 0.23 0.26 1.40 5.68 0.03 -4.85 116.55 119.66 1up8 n ASP 65 Ca -0.10 -1.30 0.17 0.00 -0.50 0.00 0.00 54.79 53.06 1up8 n ASP 65 Cb 0.53 -0.37 0.82 0.00 -1.14 0.00 0.00 41.12 40.96 1up8 n ASP 65 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1up8 h ASP 66 N -0.55 0.00 0.01 -1.12 3.32 -2.01 -1.22 116.42 114.85 1up8 h ASP 66 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1up8 h ASP 66 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1up8 h ASP 66 CO 0.13 0.00 -0.06 0.59 -1.72 0.00 0.00 179.24 178.19 1up8 n ASN 67 N -2.84 1.87 -0.05 6.45 5.03 -1.26 -4.97 115.26 119.49 1up8 n ASN 67 Ca -0.01 -1.56 -0.01 0.00 0.87 0.00 0.00 54.58 53.88 1up8 n ASN 67 Cb 0.18 0.04 -0.00 0.00 -1.02 0.00 0.00 39.78 38.98 1up8 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up8 n GLY 68 N 1.25 0.48 3.83 7.41 0.00 -0.46 -4.83 105.19 112.87 1up8 n GLY 68 Ca 0.16 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1up8 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1up8 s ALA 69 N -1.98 3.58 0.55 4.61 0.00 -1.26 -4.81 121.76 122.44 1up8 s ALA 69 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 1up8 s ALA 69 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 1up8 s ALA 69 CO 0.00 0.43 1.25 0.96 0.00 0.00 0.00 175.76 178.40 1up8 s ILE 70 N -1.31 2.54 -0.01 0.00 -4.36 -1.26 -0.79 121.20 116.01 1up8 s ILE 70 Ca 0.34 0.37 -0.21 0.00 -0.26 0.00 0.00 60.65 60.89 1up8 s ILE 70 Cb -0.17 -3.17 -0.22 0.00 1.25 0.00 0.00 42.46 40.15 1up8 s ILE 70 CO 0.19 -0.04 1.10 0.40 0.24 0.00 0.00 174.94 176.84 1up8 h ILE 71 N 1.29 1.45 -3.69 8.37 2.04 -1.71 -3.44 117.51 121.82 1up8 h ILE 71 Ca -0.50 -1.97 -0.64 0.00 1.00 0.00 0.00 64.86 62.76 1up8 h ILE 71 Cb 1.29 2.57 -0.38 0.00 -0.74 0.00 0.00 36.82 39.56 1up8 h ILE 71 CO 0.57 0.56 -0.78 -0.62 0.00 0.00 0.00 178.15 177.88 1up8 s ASP 72 N -6.56 4.20 0.39 1.72 -1.08 -1.26 -5.02 116.67 109.06 1up8 s ASP 72 Ca -0.14 -1.44 0.14 0.00 -0.52 0.00 0.00 52.55 50.59 1up8 s ASP 72 Cb 0.03 -1.35 0.96 0.00 -1.46 0.00 0.00 42.92 41.10 1up8 s ASP 72 CO 0.79 -0.26 1.85 1.55 0.52 0.00 0.00 175.17 179.63 1up8 h PRO 73 N 7.85 0.52 -0.48 4.34 0.13 -1.91 -0.66 132.00 141.79 1up8 h PRO 73 Ca -0.16 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 1up8 h PRO 73 Cb 1.05 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1up8 h PRO 73 CO 0.45 0.34 0.38 -0.44 -0.23 0.00 0.00 178.00 178.50 1up8 h ASP 74 N 0.53 0.00 -0.58 1.44 3.32 -1.99 -1.01 116.42 118.14 1up8 h ASP 74 Ca 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.48 1up8 h ASP 74 Cb 0.98 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1up8 h ASP 74 CO -0.20 0.00 0.22 0.44 -1.72 0.00 0.00 179.24 177.97 1up8 h ASP 75 N 0.00 0.81 0.18 6.45 3.32 -1.55 -1.05 116.42 124.58 1up8 h ASP 75 Ca 0.23 -0.18 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 1up8 h ASP 75 Cb 0.98 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.33 1up8 h ASP 75 CO -0.00 0.77 -1.01 0.15 -1.72 0.00 0.00 179.24 177.43 1up8 h PHE 76 N 0.80 0.82 -0.71 4.55 3.57 -1.34 -2.79 116.94 121.84 1up8 h PHE 76 Ca 0.19 -0.45 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1up8 h PHE 76 Cb 0.22 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1up8 h PHE 76 CO 0.01 1.28 0.41 -0.07 -2.23 0.00 0.00 178.31 177.71 1up8 h LEU 77 N 0.31 0.86 -0.45 0.59 3.38 -1.25 -1.14 115.31 117.61 1up8 h LEU 77 Ca -0.11 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.63 1up8 h LEU 77 Cb 1.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1up8 h LEU 77 CO 0.19 0.68 -0.71 0.00 0.09 0.00 0.00 178.44 178.68 1up8 h ALA 78 N 1.47 0.64 -0.59 1.53 0.00 -1.23 -2.57 119.26 118.51 1up8 h ALA 78 Ca 0.25 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1up8 h ALA 78 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1up8 h ALA 78 CO -0.04 0.77 0.32 0.35 0.00 0.00 0.00 179.25 180.64 1up8 h PHE 79 N 0.24 0.81 -0.80 0.00 3.57 -1.14 -0.91 116.94 118.71 1up8 h PHE 79 Ca -0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1up8 h PHE 79 Cb 1.28 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1up8 h PHE 79 CO 0.04 0.59 0.44 0.28 -2.23 0.00 0.00 178.31 177.43 1up8 h VAL 80 N 0.80 1.24 -0.24 1.41 2.07 -1.16 -1.14 116.25 119.22 1up8 h VAL 80 Ca 0.21 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1up8 h VAL 80 Cb 0.05 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1up8 h VAL 80 CO -0.03 0.26 0.08 0.03 0.02 0.00 0.00 177.57 177.92 1up8 h ARG 81 N 1.11 0.38 -0.60 1.57 3.08 -1.19 -2.27 114.38 116.46 1up8 h ARG 81 Ca 0.28 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1up8 h ARG 81 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1up8 h ARG 81 CO -0.05 0.46 0.39 0.00 -1.07 0.00 0.00 179.97 179.70 1up8 h ALA 82 N 0.90 1.56 -0.60 0.04 0.00 -1.01 -1.22 119.26 118.93 1up8 h ALA 82 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1up8 h ALA 82 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1up8 h ALA 82 CO -0.00 0.40 0.13 0.82 0.00 0.00 0.00 179.25 180.60 1up8 h ILE 83 N 0.81 1.25 0.00 0.00 2.04 -0.88 0.03 117.51 120.77 1up8 h ILE 83 Ca 0.22 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1up8 h ILE 83 Cb -0.08 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1up8 h ILE 83 CO -0.05 0.35 0.00 0.78 0.00 0.00 0.00 178.15 179.23 1up8 h ASN 84 N 0.88 0.00 0.05 1.72 2.35 -0.96 -3.34 115.58 116.29 1up8 h ASN 84 Ca 0.19 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.57 1up8 h ASN 84 Cb 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1up8 h ASN 84 CO 0.01 0.00 -2.09 -0.24 -1.65 0.00 0.00 177.43 173.46 1up8 n SER 85 N -2.84 2.02 0.00 5.81 2.88 -0.50 -5.00 113.62 115.99 1up8 n SER 85 Ca 0.04 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1up8 n SER 85 Cb 0.49 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1up8 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1up8 n GLY 86 N 1.88 1.11 3.69 0.46 0.00 -0.02 -4.99 105.19 107.33 1up8 n GLY 86 Ca -0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1up8 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1up8 s ASP 87 N -2.88 6.59 0.23 1.61 2.15 -1.26 -4.91 116.67 118.20 1up8 s ASP 87 Ca 0.00 2.51 -0.07 0.00 0.43 0.00 0.00 52.55 55.42 1up8 s ASP 87 Cb 0.00 -2.57 0.24 0.00 -0.30 0.00 0.00 42.92 40.30 1up8 s ASP 87 CO 0.00 -0.88 1.89 -0.33 -0.17 0.00 0.00 175.17 175.68 1up8 h GLU 88 N 8.17 1.11 -0.64 4.34 3.07 -1.97 -2.06 114.58 126.61 1up8 h GLU 88 Ca -0.43 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.31 1up8 h GLU 88 Cb 1.20 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.83 1up8 h GLU 88 CO 0.93 0.74 0.19 -0.22 -1.40 0.00 0.00 179.01 179.25 1up8 h LYS 89 N 1.15 1.01 -0.70 2.33 3.11 -1.99 -0.47 116.57 121.01 1up8 h LYS 89 Ca 0.34 -0.22 -0.04 0.00 -2.81 0.00 0.00 60.65 57.92 1up8 h LYS 89 Cb -0.06 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.00 1up8 h LYS 89 CO -0.10 0.89 0.28 1.49 -2.81 0.00 0.00 179.45 179.20 1up8 h GLU 90 N 0.93 1.03 -0.38 1.90 4.81 -1.86 -1.87 114.58 119.14 1up8 h GLU 90 Ca 0.21 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1up8 h GLU 90 Cb 0.31 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1up8 h GLU 90 CO -0.00 0.83 0.11 0.82 -0.73 0.00 0.00 179.01 180.04 1up8 h ILE 91 N 1.01 1.22 0.00 2.32 2.04 -1.16 -2.81 117.51 120.13 1up8 h ILE 91 Ca 0.24 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1up8 h ILE 91 Cb 0.19 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1up8 h ILE 91 CO -0.02 0.25 -0.00 0.00 0.00 0.00 0.00 178.15 178.38 1up8 h ALA 92 N 0.95 1.01 -0.00 1.87 0.00 -0.65 -2.56 119.26 119.87 1up8 h ALA 92 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1up8 h ALA 92 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1up8 h ALA 92 CO -0.00 0.00 -0.09 -0.25 0.00 0.00 0.00 179.25 178.91 1up8 n ASP 93 N -3.10 0.18 -4.75 0.00 8.00 -0.74 -4.91 116.55 111.23 1up8 n ASP 93 Ca -0.02 -0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.14 1up8 n ASP 93 Cb 0.15 -0.24 0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1up8 n ASP 93 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1up8 s LEU 94 N -2.77 3.14 -0.30 0.64 1.43 -0.97 -5.01 118.68 114.85 1up8 s LEU 94 Ca 0.21 1.99 -0.23 0.00 -1.03 0.00 0.00 54.13 55.07 1up8 s LEU 94 Cb 0.19 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.87 1up8 s LEU 94 CO 0.52 -2.10 0.75 -0.89 0.23 0.00 0.00 176.35 174.86 1up8 s THR 95 N -2.60 4.84 -0.14 5.49 2.01 -1.26 -5.06 115.64 118.92 1up8 s THR 95 Ca 0.65 1.13 -0.00 0.00 0.31 0.00 0.00 61.69 63.77 1up8 s THR 95 Cb -0.20 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1up8 s THR 95 CO 0.51 -0.20 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.94 1up8 s LEU 96 N 2.85 1.48 0.00 4.42 2.96 -1.26 -4.54 118.68 124.59 1up8 s LEU 96 Ca 0.31 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1up8 s LEU 96 Cb -0.14 -0.94 0.00 0.00 0.50 0.00 0.00 46.19 45.61 1up8 s LEU 96 CO 0.12 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1up8 n GLY 97 N 4.88 -3.11 1.99 7.98 0.00 0.01 -5.02 105.19 111.91 1up8 n GLY 97 Ca -0.13 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 1up8 n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1up8 n PRO 98 N -0.42 0.26 -1.73 1.61 -0.04 -1.26 -4.24 135.00 129.19 1up8 n PRO 98 Ca 0.00 -1.40 -0.41 0.00 -0.04 0.00 0.00 63.50 61.65 1up8 n PRO 98 Cb 0.00 -0.33 0.01 0.00 -0.04 0.00 0.00 33.50 33.14 1up8 n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1up8 n ALA 99 N -2.94 1.60 -2.75 0.55 0.00 -1.26 -4.75 120.51 110.95 1up8 n ALA 99 Ca -0.08 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1up8 n ALA 99 Cb 0.30 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 1up8 n ALA 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1up8 s ARG 100 N -2.30 2.79 -0.00 0.00 0.52 -1.26 -1.00 118.95 117.69 1up8 s ARG 100 Ca 0.61 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 1up8 s ARG 100 Cb -0.48 -2.68 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 1up8 s ARG 100 CO 0.58 0.56 1.47 0.34 0.02 0.00 0.00 175.30 178.26 1up8 s ASP 101 N -2.36 6.79 0.25 0.23 -1.08 0.48 -4.89 116.67 116.08 1up8 s ASP 101 Ca 0.28 2.17 -0.03 0.00 -0.52 0.00 0.00 52.55 54.46 1up8 s ASP 101 Cb -0.12 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.27 1up8 s ASP 101 CO 0.21 -0.77 1.76 -0.65 0.52 0.00 0.00 175.17 176.24 1up8 h PRO 102 N 8.14 0.59 -0.16 4.34 0.11 -1.96 0.89 132.00 143.95 1up8 h PRO 102 Ca -0.38 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 1up8 h PRO 102 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1up8 h PRO 102 CO 0.92 0.39 -0.33 1.49 -0.21 0.00 0.00 178.00 180.25 1up8 h GLU 103 N 0.60 0.50 0.00 1.05 4.57 -1.98 -3.35 114.58 115.98 1up8 h GLU 103 Ca 0.43 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1up8 h GLU 103 Cb 0.59 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1up8 h GLU 103 CO -0.35 0.94 -1.47 0.25 -1.18 0.00 0.00 179.01 177.21 1up8 n THR 104 N -4.34 0.00 -0.90 0.32 -2.24 -1.22 -4.99 114.28 100.92 1up8 n THR 104 Ca -0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1up8 n THR 104 Cb 0.50 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1up8 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1up8 n GLY 105 N 1.43 0.54 3.81 3.38 0.00 0.30 -5.01 105.19 109.65 1up8 n GLY 105 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1up8 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up8 s LEU 106 N 0.00 4.21 0.56 0.99 1.43 -1.26 -4.68 118.68 119.94 1up8 s LEU 106 Ca 0.00 1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 54.46 1up8 s LEU 106 Cb 0.00 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 1up8 s LEU 106 CO 0.00 -0.11 1.24 -2.84 0.23 0.00 0.00 176.35 174.87 1up8 s PRO 107 N -2.41 3.12 -0.39 1.29 0.02 -1.26 -0.39 135.00 134.97 1up8 s PRO 107 Ca 0.51 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 1up8 s PRO 107 Cb -0.15 -2.08 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1up8 s PRO 107 CO 0.20 -1.12 0.28 0.42 -0.33 0.00 0.00 177.00 176.44 1up8 s ILE 108 N -1.50 5.13 0.58 2.83 1.01 -0.17 -4.79 121.20 124.29 1up8 s ILE 108 Ca 0.74 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1up8 s ILE 108 Cb -0.33 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.35 1up8 s ILE 108 CO 0.37 -0.26 0.82 0.26 0.00 0.00 0.00 174.94 176.13 1up8 s TRP 109 N 1.66 2.70 -0.04 3.97 0.52 -1.26 -4.68 118.94 121.82 1up8 s TRP 109 Ca 0.05 -0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.15 1up8 s TRP 109 Cb -0.19 -2.81 -0.26 0.00 -1.15 0.00 0.00 33.47 29.06 1up8 s TRP 109 CO 0.09 -1.01 0.69 0.00 0.02 0.00 0.00 176.95 176.75 1up8 h ARG 110 N -0.05 0.18 -6.47 4.98 3.08 -1.97 -3.47 114.38 110.67 1up8 h ARG 110 Ca -0.41 -0.30 -0.54 0.00 0.07 0.00 0.00 59.98 58.80 1up8 h ARG 110 Cb 1.29 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 1up8 h ARG 110 CO 0.51 0.97 0.05 -1.54 -1.07 0.00 0.00 179.97 178.89 1up8 s SER 111 N -6.75 7.02 0.28 7.04 1.04 -1.26 -4.97 113.70 116.11 1up8 s SER 111 Ca -0.11 1.33 0.02 0.00 0.48 0.00 0.00 55.95 57.67 1up8 s SER 111 Cb 0.07 -2.38 0.58 0.00 0.10 0.00 0.00 66.02 64.39 1up8 s SER 111 CO 0.82 0.09 1.82 0.44 0.98 0.00 0.00 173.24 177.39 1up8 h ASP 112 N 3.63 0.87 0.04 7.02 3.32 -1.97 -2.58 116.42 126.76 1up8 h ASP 112 Ca -0.48 0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.64 1up8 h ASP 112 Cb 1.20 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1up8 h ASP 112 CO 0.65 0.43 -0.14 0.25 -1.72 0.00 0.00 179.24 178.72 1up8 h LEU 113 N 0.92 -0.38 -0.40 1.55 5.85 -1.99 -0.80 115.31 120.06 1up8 h LEU 113 Ca 0.51 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 59.15 1up8 h LEU 113 Cb 0.57 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1up8 h LEU 113 CO -0.29 -0.20 -0.25 0.00 -0.34 0.00 0.00 178.44 177.36 1up8 h ALA 114 N 0.67 0.57 -0.88 1.25 0.00 -1.94 -2.07 119.26 116.85 1up8 h ALA 114 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1up8 h ALA 114 Cb 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1up8 h ALA 114 CO -0.10 0.57 0.48 -0.91 0.00 0.00 0.00 179.25 179.28 1up8 h ASN 115 N 0.69 1.11 0.63 0.00 2.35 -1.45 -2.36 115.58 116.55 1up8 h ASN 115 Ca 0.08 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1up8 h ASN 115 Cb 0.82 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1up8 h ASN 115 CO 0.07 0.90 -0.46 0.77 -1.65 0.00 0.00 177.43 177.06 1up8 h SER 116 N 1.24 0.00 1.01 5.81 4.64 -0.80 -2.44 113.55 123.01 1up8 h SER 116 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1up8 h SER 116 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1up8 h SER 116 CO -0.05 0.46 -0.14 0.18 -0.87 0.00 0.00 176.83 176.42 1up8 n LEU 117 N -3.77 0.32 -3.76 5.97 4.77 -0.81 -4.97 117.00 114.75 1up8 n LEU 117 Ca -0.01 0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 56.15 1up8 n LEU 117 Cb 0.52 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1up8 n LEU 117 CO 0.39 -0.02 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.75 1up8 n GLU 118 N -1.71 -4.80 -2.01 3.23 1.02 -0.90 -4.93 120.64 110.54 1up8 n GLU 118 Ca 0.06 0.59 -0.38 0.00 -0.02 0.00 0.00 57.16 57.41 1up8 n GLU 118 Cb 0.37 -5.15 0.01 0.00 -0.02 0.00 0.00 31.44 26.65 1up8 n GLU 118 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1up8 s LEU 119 N -6.80 4.02 0.61 -4.62 1.43 -1.12 -5.02 118.68 107.18 1up8 s LEU 119 Ca 0.10 2.60 0.06 0.00 -1.03 0.00 0.00 54.13 55.86 1up8 s LEU 119 Cb -0.05 -4.13 0.09 0.00 0.03 0.00 0.00 46.19 42.13 1up8 s LEU 119 CO 0.82 -1.14 0.84 -1.61 0.23 0.00 0.00 176.35 175.50 1up8 s GLU 120 N -2.62 2.14 0.53 1.70 0.41 -1.26 -4.58 118.70 115.02 1up8 s GLU 120 Ca 0.64 -1.41 -0.08 0.00 -0.41 0.00 0.00 54.97 53.71 1up8 s GLU 120 Cb -0.36 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1up8 s GLU 120 CO 0.45 -1.01 0.88 0.14 -0.49 0.00 0.00 175.26 175.23 1up8 s VAL 121 N -2.80 4.81 0.19 2.63 -7.23 -1.26 -1.91 120.40 114.83 1up8 s VAL 121 Ca 0.63 0.52 0.11 0.00 -1.81 0.00 0.00 61.98 61.42 1up8 s VAL 121 Cb -0.06 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 1up8 s VAL 121 CO 0.40 -0.92 -0.20 0.00 -0.31 0.00 0.00 175.10 174.07 1up8 s ARG 122 N -4.79 1.67 0.34 4.82 1.70 -0.90 -4.81 118.95 116.96 1up8 s ARG 122 Ca 0.51 -1.46 0.08 0.00 -0.47 0.00 0.00 55.73 54.39 1up8 s ARG 122 Cb -0.11 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1up8 s ARG 122 CO 0.46 0.41 0.21 0.20 -1.08 0.00 0.00 175.30 175.50 1up8 s GLY 123 N -2.73 1.85 0.42 3.88 0.00 -1.26 -4.90 107.32 104.59 1up8 s GLY 123 Ca 0.22 -1.74 -0.26 0.00 0.00 0.00 0.00 44.72 42.94 1up8 s GLY 123 CO 0.11 -1.67 1.41 0.79 0.00 0.00 0.00 173.10 173.74 1up8 n TRP 124 N -1.25 2.63 -3.26 1.90 8.01 -1.26 -4.85 117.44 119.36 1up8 n TRP 124 Ca -0.03 0.46 -0.46 0.00 -1.31 0.00 0.00 57.50 56.17 1up8 n TRP 124 Cb 0.60 -2.46 -0.05 0.00 -2.01 0.00 0.00 31.31 27.40 1up8 n TRP 124 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 1up8 s GLU 125 N -2.30 3.02 -1.21 -0.99 2.02 -1.09 -4.58 118.70 113.58 1up8 s GLU 125 Ca 0.59 -1.63 -0.10 0.00 0.02 0.00 0.00 54.97 53.85 1up8 s GLU 125 Cb -0.47 -4.30 -0.01 0.00 0.10 0.00 0.00 34.13 29.45 1up8 s GLU 125 CO 0.59 -1.39 0.73 0.09 0.02 0.00 0.00 175.26 175.31 1up8 n ASN 126 N 5.49 -3.58 0.30 -0.19 4.13 -1.26 -4.89 115.26 115.26 1up8 n ASN 126 Ca -0.12 -0.92 0.19 0.00 1.68 0.00 0.00 54.58 55.41 1up8 n ASN 126 Cb 0.41 -3.77 1.01 0.00 -1.54 0.00 0.00 39.78 35.89 1up8 n ASN 126 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1up8 h SER 127 N -1.78 0.00 -0.13 6.41 4.64 -1.94 -2.59 113.55 118.16 1up8 h SER 127 Ca -0.64 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.62 1up8 h SER 127 Cb 1.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1up8 h SER 127 CO 0.52 0.00 -0.31 -1.20 -0.87 0.00 0.00 176.83 174.97 1up8 n SER 128 N -2.86 2.07 0.25 4.97 7.64 -1.26 -4.73 113.62 119.70 1up8 n SER 128 Ca -0.02 -3.79 0.16 0.00 1.01 0.00 0.00 58.87 56.23 1up8 n SER 128 Cb 0.13 -0.56 0.65 0.00 -1.01 0.00 0.00 64.21 63.42 1up8 n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up8 h ALA 129 N 0.95 1.00 0.00 -0.43 0.00 -1.81 -2.65 119.26 116.32 1up8 h ALA 129 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1up8 h ALA 129 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1up8 h ALA 129 CO 0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1up8 n GLY 130 N 0.04 -0.64 0.00 0.00 0.00 -1.26 -2.37 105.19 100.97 1up8 n GLY 130 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1up8 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1up8 n LEU 131 N -1.22 0.83 -4.75 0.99 4.77 -1.00 -4.66 117.00 111.96 1up8 n LEU 131 Ca 0.07 -0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.31 1up8 n LEU 131 Cb 0.09 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1up8 n LEU 131 CO 0.09 0.20 0.87 -0.89 -1.33 0.00 0.00 177.39 176.33 1up8 s THR 132 N -3.01 3.45 0.80 -5.08 2.01 -1.00 -5.05 115.64 107.76 1up8 s THR 132 Ca 0.08 1.30 -0.06 0.00 0.31 0.00 0.00 61.69 63.33 1up8 s THR 132 Cb 0.16 -3.83 0.15 0.00 0.01 0.00 0.00 72.50 68.99 1up8 s THR 132 CO 0.82 0.25 1.11 -0.36 -0.69 0.00 0.00 174.62 175.75 1up8 s PHE 133 N -0.48 1.61 -0.03 4.92 0.40 -1.26 -4.62 117.98 118.52 1up8 s PHE 133 Ca 0.50 -0.06 -0.14 0.00 -0.60 0.00 0.00 56.93 56.63 1up8 s PHE 133 Cb -0.33 -3.38 0.02 0.00 0.51 0.00 0.00 43.02 39.84 1up8 s PHE 133 CO 0.40 -2.03 0.32 0.34 0.70 0.00 0.00 175.22 174.94 1up8 s ASP 134 N -4.79 -0.22 0.09 1.36 -1.08 -1.26 -5.04 116.67 105.74 1up8 s ASP 134 Ca 0.69 0.19 0.20 0.00 -0.52 0.00 0.00 52.55 53.11 1up8 s ASP 134 Cb -0.05 0.38 0.84 0.00 -1.46 0.00 0.00 42.92 42.63 1up8 s ASP 134 CO 0.47 -0.39 1.64 0.18 0.52 0.00 0.00 175.17 177.59 1up8 n LEU 135 N 1.55 0.26 -3.80 -1.34 4.77 -1.26 -4.82 117.00 112.35 1up8 n LEU 135 Ca -0.20 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1up8 n LEU 135 Cb 0.56 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 1up8 n LEU 135 CO 0.21 -0.29 -0.05 -1.83 -1.33 0.00 0.00 177.39 174.10 1up8 s GLU 136 N -3.10 0.60 0.00 3.23 -1.05 -1.26 -5.01 118.70 112.11 1up8 s GLU 136 Ca 0.08 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1up8 s GLU 136 Cb 0.11 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1up8 s GLU 136 CO 0.37 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.84 1up8 n GLY 137 N 1.36 -0.31 3.76 -3.83 0.00 -1.26 -4.91 105.19 99.99 1up8 n GLY 137 Ca -0.22 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1up8 n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1up8 n PRO 138 N -0.23 2.57 -1.76 1.61 -0.04 -1.26 -4.95 135.00 130.93 1up8 n PRO 138 Ca 0.00 0.90 -0.40 0.00 -0.04 0.00 0.00 63.50 63.96 1up8 n PRO 138 Cb 0.00 -2.61 0.02 0.00 -0.04 0.00 0.00 33.50 30.87 1up8 n PRO 138 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1up8 n ASP 139 N 0.71 3.32 -0.42 3.54 2.03 -1.26 -4.89 116.55 119.58 1up8 n ASP 139 Ca 0.03 1.13 0.39 0.00 0.52 0.00 0.00 54.79 56.86 1up8 n ASP 139 Cb 0.38 -1.60 0.75 0.00 -0.72 0.00 0.00 41.12 39.93 1up8 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1up8 h ALA 140 N 2.35 3.21 -0.16 -1.67 0.00 -1.89 -1.03 119.26 120.08 1up8 h ALA 140 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1up8 h ALA 140 Cb 1.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1up8 h ALA 140 CO 0.61 -1.63 0.00 1.04 0.00 0.00 0.00 179.25 179.27 1up8 n GLN 141 N -4.19 2.29 0.09 0.00 6.02 -1.26 -4.44 117.38 115.88 1up8 n GLN 141 Ca 0.31 -2.01 0.12 0.00 -0.01 0.00 0.00 57.00 55.41 1up8 n GLN 141 Cb 1.42 -1.46 0.19 0.00 1.02 0.00 0.00 30.24 31.41 1up8 n GLN 141 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1up8 h SER 142 N 4.44 0.00 -1.49 1.08 4.64 -1.49 -3.45 113.55 117.28 1up8 h SER 142 Ca 0.00 -0.13 -0.64 0.00 -0.47 0.00 0.00 61.79 60.56 1up8 h SER 142 Cb 0.96 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.92 1up8 h SER 142 CO 0.00 0.06 -0.59 0.27 -0.87 0.00 0.00 176.83 175.71 1up8 s ILE 143 N -3.19 1.88 0.03 0.95 -4.36 -1.26 -2.35 121.20 112.89 1up8 s ILE 143 Ca 0.06 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1up8 s ILE 143 Cb 0.12 -2.88 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 1up8 s ILE 143 CO 0.70 0.00 -0.05 0.00 0.24 0.00 0.00 174.94 175.84 1up8 s ALA 144 N -2.74 0.29 -0.04 2.27 0.00 -1.26 -4.85 121.76 115.43 1up8 s ALA 144 Ca 0.31 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1up8 s ALA 144 Cb 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1up8 s ALA 144 CO 0.16 -0.13 0.10 -1.64 0.00 0.00 0.00 175.76 174.25 1up8 s MET 145 N -1.65 3.20 0.92 0.00 -1.94 -1.26 -4.94 119.30 113.62 1up8 s MET 145 Ca -0.13 -0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 53.37 1up8 s MET 145 Cb -0.09 -2.96 0.15 0.00 2.01 0.00 0.00 34.83 33.94 1up8 s MET 145 CO -0.01 0.69 1.09 -1.25 -0.01 0.00 0.00 175.02 175.53 1up8 s PRO 146 N -1.50 1.03 0.31 2.03 0.04 -1.26 -4.46 135.00 131.19 1up8 s PRO 146 Ca 0.21 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 1up8 s PRO 146 Cb -0.12 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 1up8 s PRO 146 CO 0.11 -2.38 1.18 -2.30 0.04 0.00 0.00 177.00 173.65 1up8 n PRO 147 N -3.97 1.80 -1.51 0.56 -0.02 -1.18 -4.95 135.00 125.74 1up8 n PRO 147 Ca 0.07 0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1up8 n PRO 147 Cb 0.56 -2.13 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 1up8 n PRO 147 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1up8 s ALA 148 N -1.01 2.37 0.53 3.55 0.00 -1.26 -4.90 121.76 121.04 1up8 s ALA 148 Ca 0.58 0.40 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 1up8 s ALA 148 Cb -0.63 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 1up8 s ALA 148 CO 0.61 -1.52 1.05 -2.30 0.00 0.00 0.00 175.76 173.60 1up8 n PRO 149 N -2.98 1.20 -3.46 0.00 -0.02 -1.26 -4.68 135.00 123.80 1up8 n PRO 149 Ca 0.10 0.45 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 1up8 n PRO 149 Cb 0.53 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1up8 n PRO 149 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1up8 s VAL 150 N -1.40 5.07 0.53 -1.45 -7.23 -1.26 -4.97 120.40 109.69 1up8 s VAL 150 Ca 0.71 0.02 0.32 0.00 -1.81 0.00 0.00 61.98 61.22 1up8 s VAL 150 Cb -0.46 -3.70 0.50 0.00 0.56 0.00 0.00 36.38 33.28 1up8 s VAL 150 CO 0.51 -0.21 1.87 -0.07 -0.31 0.00 0.00 175.10 176.88 1up8 h LEU 151 N 2.01 0.02 -1.11 1.32 3.38 -1.95 -0.80 115.31 118.18 1up8 h LEU 151 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1up8 h LEU 151 Cb 1.18 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1up8 h LEU 151 CO 0.68 0.01 0.00 0.35 0.09 0.00 0.00 178.44 179.56 1up8 n THR 152 N -4.26 0.27 -3.77 0.22 -2.24 -1.26 -4.73 114.28 98.51 1up8 n THR 152 Ca 0.20 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1up8 n THR 152 Cb 1.03 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1up8 n THR 152 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1up8 s SER 153 N -1.42 6.41 0.39 3.42 1.04 -0.30 -4.99 113.70 118.24 1up8 s SER 153 Ca 0.30 0.40 0.09 0.00 0.48 0.00 0.00 55.95 57.22 1up8 s SER 153 Cb 0.16 -2.01 0.85 0.00 0.10 0.00 0.00 66.02 65.12 1up8 s SER 153 CO 0.23 0.05 1.95 -0.65 0.98 0.00 0.00 173.24 175.80 1up8 h PRO 154 N 2.54 0.61 -0.20 4.02 0.11 -1.93 -2.31 132.00 134.84 1up8 h PRO 154 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1up8 h PRO 154 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1up8 h PRO 154 CO 0.71 0.40 0.12 1.49 -0.21 0.00 0.00 178.00 180.52 1up8 h GLU 155 N 0.63 0.27 -0.59 1.05 4.81 -1.94 -2.14 114.58 116.67 1up8 h GLU 155 Ca 0.32 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1up8 h GLU 155 Cb 0.42 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1up8 h GLU 155 CO -0.11 0.21 0.16 1.25 -0.73 0.00 0.00 179.01 179.79 1up8 h LEU 156 N 0.25 0.89 -0.31 1.64 7.12 -1.71 -0.45 115.31 122.74 1up8 h LEU 156 Ca 0.07 -0.22 0.06 0.00 0.13 0.00 0.00 57.88 57.91 1up8 h LEU 156 Cb 0.01 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 39.86 1up8 h LEU 156 CO -0.01 0.88 -0.03 0.58 -0.13 0.00 0.00 178.44 179.73 1up8 h VAL 157 N 0.85 0.74 -0.68 1.05 2.07 -1.33 -0.96 116.25 117.99 1up8 h VAL 157 Ca 0.19 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1up8 h VAL 157 Cb 0.33 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1up8 h VAL 157 CO -0.00 0.01 0.22 0.00 0.02 0.00 0.00 177.57 177.82 1up8 h ALA 158 N 1.28 1.10 -0.30 1.67 0.00 -1.16 -0.46 119.26 121.40 1up8 h ALA 158 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1up8 h ALA 158 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1up8 h ALA 158 CO -0.27 0.62 0.04 0.93 0.00 0.00 0.00 179.25 180.56 1up8 h GLU 159 N 1.00 0.50 -0.18 0.00 5.08 -0.52 -2.04 114.58 118.41 1up8 h GLU 159 Ca 0.22 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1up8 h GLU 159 Cb 0.27 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1up8 h GLU 159 CO -0.01 0.61 -0.62 0.97 -1.00 0.00 0.00 179.01 178.96 1up8 h ILE 160 N 0.31 1.32 -0.34 3.13 6.09 -1.02 -2.56 117.51 124.44 1up8 h ILE 160 Ca 0.09 -1.87 0.07 0.00 -1.37 0.00 0.00 64.86 61.77 1up8 h ILE 160 Cb 0.36 1.84 -0.07 0.00 0.47 0.00 0.00 36.82 39.42 1up8 h ILE 160 CO 0.01 0.59 -0.09 0.00 -3.07 0.00 0.00 178.15 175.58 1up8 h ALA 161 N 0.85 0.22 -0.91 0.18 0.00 -1.08 -2.31 119.26 116.21 1up8 h ALA 161 Ca -0.01 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1up8 h ALA 161 Cb 1.19 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1up8 h ALA 161 CO 0.12 -0.46 0.55 1.49 0.00 0.00 0.00 179.25 180.95 1up8 h GLU 162 N -0.01 0.91 -0.31 0.00 4.81 -0.99 -2.45 114.58 116.55 1up8 h GLU 162 Ca 0.16 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1up8 h GLU 162 Cb 0.26 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1up8 h GLU 162 CO -0.35 0.60 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.97 1up8 h LEU 163 N 0.94 0.95 -0.26 1.64 3.38 -1.10 -0.28 115.31 120.57 1up8 h LEU 163 Ca 0.42 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1up8 h LEU 163 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1up8 h LEU 163 CO -0.23 1.27 0.10 1.88 0.09 0.00 0.00 178.44 181.55 1up8 h TYR 164 N 0.68 0.17 -0.82 1.13 -1.99 -1.28 0.15 116.97 115.01 1up8 h TYR 164 Ca 0.03 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.80 1up8 h TYR 164 Cb 1.09 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.74 1up8 h TYR 164 CO 0.07 0.08 0.54 -0.07 -0.00 0.00 0.00 178.16 178.78 1up8 h LEU 165 N 0.22 0.88 -0.31 3.88 3.38 -1.24 -0.44 115.31 121.68 1up8 h LEU 165 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1up8 h LEU 165 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1up8 h LEU 165 CO -0.11 0.61 0.11 0.24 0.09 0.00 0.00 178.44 179.38 1up8 h MET 166 N 1.03 0.48 -0.29 1.13 2.86 -0.73 -2.03 114.93 117.38 1up8 h MET 166 Ca 0.32 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1up8 h MET 166 Cb 0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1up8 h MET 166 CO -0.09 0.51 0.14 0.00 1.06 0.00 0.00 176.91 178.53 1up8 h ALA 167 N 0.95 0.37 0.00 6.32 0.00 -0.46 -1.67 119.26 124.77 1up8 h ALA 167 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1up8 h ALA 167 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1up8 h ALA 167 CO -0.01 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1up8 n LEU 168 N -4.79 0.41 -1.03 0.00 4.77 -0.22 -2.89 117.00 113.25 1up8 n LEU 168 Ca -0.02 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.64 1up8 n LEU 168 Cb 0.10 -0.57 0.27 0.00 -2.33 0.00 0.00 43.42 40.90 1up8 n LEU 168 CO 0.35 -0.49 0.73 0.61 -1.33 0.00 0.00 177.39 177.27 1up8 n GLY 169 N -0.18 4.00 0.25 -0.72 0.00 -0.65 -4.74 105.19 103.15 1up8 n GLY 169 Ca 0.02 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 45.12 1up8 n GLY 169 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1up8 h ARG 170 N 1.96 0.00 -0.18 1.61 3.08 -1.36 -2.01 114.38 117.48 1up8 h ARG 170 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1up8 h ARG 170 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1up8 h ARG 170 CO 0.28 0.15 0.00 0.39 -1.07 0.00 0.00 179.97 179.72 1up8 n GLU 171 N -3.51 1.87 -2.61 0.04 4.71 -1.26 -1.11 120.64 118.77 1up8 n GLU 171 Ca -0.01 -1.30 -0.40 0.00 -0.01 0.00 0.00 57.16 55.44 1up8 n GLU 171 Cb 0.31 -1.42 -0.05 0.00 -1.01 0.00 0.00 31.44 29.26 1up8 n GLU 171 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1up8 s ILE 172 N -1.77 3.88 -0.06 -3.67 1.01 -0.76 -4.91 121.20 114.92 1up8 s ILE 172 Ca 0.34 1.80 -0.16 0.00 0.00 0.00 0.00 60.65 62.62 1up8 s ILE 172 Cb 0.19 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1up8 s ILE 172 CO 0.28 0.39 0.43 -1.61 0.00 0.00 0.00 174.94 174.43 1up8 s GLU 173 N -0.99 4.14 0.26 2.79 2.02 -1.26 -2.27 118.70 123.39 1up8 s GLU 173 Ca 0.44 0.40 -0.02 0.00 0.02 0.00 0.00 54.97 55.82 1up8 s GLU 173 Cb -0.28 -3.33 0.47 0.00 0.10 0.00 0.00 34.13 31.08 1up8 s GLU 173 CO 0.35 0.42 1.81 0.74 0.02 0.00 0.00 175.26 178.61 1up8 h PHE 174 N 5.73 0.93 0.00 1.61 -1.00 -1.70 -0.11 116.94 122.41 1up8 h PHE 174 Ca -0.46 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1up8 h PHE 174 Cb 1.20 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.47 1up8 h PHE 174 CO 0.66 0.35 0.00 -1.13 -1.61 0.00 0.00 178.31 176.58 1up8 n SER 175 N -4.73 0.00 -0.35 2.17 3.41 -1.26 -3.15 113.62 109.71 1up8 n SER 175 Ca 0.16 0.36 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1up8 n SER 175 Cb 0.33 -0.42 0.14 0.00 -0.26 0.00 0.00 64.21 64.01 1up8 n SER 175 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1up8 n GLU 176 N -1.42 1.20 -0.06 4.33 1.02 -0.06 -4.76 120.64 120.90 1up8 n GLU 176 Ca 0.04 -2.65 0.15 0.00 -0.02 0.00 0.00 57.16 54.68 1up8 n GLU 176 Cb 0.11 -1.37 0.57 0.00 -0.02 0.00 0.00 31.44 30.72 1up8 n GLU 176 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1up8 h PHE 177 N 0.37 0.29 -0.14 -0.32 -1.00 -1.51 -2.40 116.94 112.24 1up8 h PHE 177 Ca -0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1up8 h PHE 177 Cb 1.08 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1up8 h PHE 177 CO 0.26 0.13 0.00 -0.25 -1.61 0.00 0.00 178.31 176.84 1up8 n ASP 178 N -4.45 3.07 -4.78 2.17 8.00 -1.26 -4.85 116.55 114.45 1up8 n ASP 178 Ca 0.10 -1.96 -0.37 0.00 0.71 0.00 0.00 54.79 53.28 1up8 n ASP 178 Cb 0.47 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1up8 n ASP 178 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1up8 s SER 179 N -1.76 6.58 0.41 -2.24 1.04 -0.90 -4.93 113.70 111.90 1up8 s SER 179 Ca 0.30 2.13 0.10 0.00 0.48 0.00 0.00 55.95 58.96 1up8 s SER 179 Cb 0.20 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.65 1up8 s SER 179 CO 0.29 -0.62 2.01 1.55 0.98 0.00 0.00 173.24 177.45 1up8 h PRO 180 N 2.38 0.50 -0.60 4.02 0.13 -1.94 -1.54 132.00 134.94 1up8 h PRO 180 Ca -0.49 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 64.75 1up8 h PRO 180 Cb 1.22 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1up8 h PRO 180 CO 0.62 0.33 0.41 -0.22 -0.23 0.00 0.00 178.00 178.91 1up8 h LYS 181 N 0.51 0.23 -0.04 0.86 3.64 -1.94 -2.80 116.57 117.04 1up8 h LYS 181 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1up8 h LYS 181 Cb 0.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1up8 h LYS 181 CO -0.07 0.15 0.00 0.09 -2.27 0.00 0.00 179.45 177.36 1up8 n ASN 182 N -4.44 2.71 -0.32 4.20 3.02 -0.62 -4.67 115.26 115.14 1up8 n ASN 182 Ca 0.11 -1.85 0.04 0.00 -0.03 0.00 0.00 54.58 52.86 1up8 n ASN 182 Cb 0.50 -0.01 0.23 0.00 -0.61 0.00 0.00 39.78 39.89 1up8 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up8 h ALA 183 N 3.96 1.50 0.02 5.41 0.00 -1.18 -0.37 119.26 128.60 1up8 h ALA 183 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1up8 h ALA 183 Cb 0.84 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1up8 h ALA 183 CO 0.00 0.34 -0.01 0.93 0.00 0.00 0.00 179.25 180.51 1up8 h GLU 184 N 1.05 -0.03 0.19 0.00 5.08 -1.83 -1.70 114.58 117.33 1up8 h GLU 184 Ca 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1up8 h GLU 184 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1up8 h GLU 184 CO -0.17 0.25 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.08 1up8 h TYR 185 N -0.31 -0.24 -0.65 4.33 3.20 -1.86 -1.67 116.97 119.77 1up8 h TYR 185 Ca -0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.96 1up8 h TYR 185 Cb 0.29 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 1up8 h TYR 185 CO 0.02 0.09 0.26 0.82 -1.64 0.00 0.00 178.16 177.71 1up8 h ILE 186 N -0.59 0.76 -0.17 1.81 1.08 -1.13 0.37 117.51 119.65 1up8 h ILE 186 Ca -0.03 -0.15 -0.12 0.00 -0.39 0.00 0.00 64.86 64.17 1up8 h ILE 186 Cb 0.44 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1up8 h ILE 186 CO 0.04 0.08 -0.41 1.56 -0.69 0.00 0.00 178.15 178.73 1up8 h GLN 187 N 0.45 0.39 -0.46 2.37 1.08 -1.35 -1.11 115.11 116.49 1up8 h GLN 187 Ca 0.33 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1up8 h GLN 187 Cb 0.42 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1up8 h GLN 187 CO -0.32 0.74 0.29 0.35 -0.95 0.00 0.00 178.83 178.94 1up8 h PHE 188 N 0.33 0.59 -0.35 2.96 3.57 -0.40 0.85 116.94 124.49 1up8 h PHE 188 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1up8 h PHE 188 Cb 0.87 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1up8 h PHE 188 CO 0.02 0.40 0.11 0.00 -2.23 0.00 0.00 178.31 176.62 1up8 h ALA 189 N 1.14 0.46 -0.25 2.41 0.00 -0.73 0.13 119.26 122.42 1up8 h ALA 189 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1up8 h ALA 189 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1up8 h ALA 189 CO -0.03 0.10 0.09 0.82 0.00 0.00 0.00 179.25 180.23 1up8 h ILE 190 N 0.42 1.18 -0.73 0.00 2.04 -1.09 -2.64 117.51 116.70 1up8 h ILE 190 Ca 0.11 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1up8 h ILE 190 Cb 0.24 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1up8 h ILE 190 CO -0.00 0.18 0.23 0.44 0.00 0.00 0.00 178.15 179.00 1up8 h ASP 191 N 0.25 1.05 -0.38 1.72 3.32 -0.74 -1.89 116.42 119.75 1up8 h ASP 191 Ca 0.08 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1up8 h ASP 191 Cb 0.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1up8 h ASP 191 CO -0.01 0.97 0.16 1.56 -1.72 0.00 0.00 179.24 180.21 1up8 h GLN 192 N 1.08 0.56 -0.29 3.56 1.08 -0.88 -1.79 115.11 118.42 1up8 h GLN 192 Ca 0.24 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 1up8 h GLN 192 Cb 0.30 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1up8 h GLN 192 CO -0.01 0.52 -0.36 -0.07 -0.95 0.00 0.00 178.83 177.96 1up8 h LEU 193 N 0.47 0.69 -1.49 1.46 3.38 -1.36 -2.51 115.31 115.95 1up8 h LEU 193 Ca 0.13 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1up8 h LEU 193 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1up8 h LEU 193 CO -0.01 0.99 0.00 0.78 0.09 0.00 0.00 178.44 180.29 1up8 h ASN 194 N 0.55 0.00 0.74 -0.43 2.35 -1.22 -2.45 115.58 115.12 1up8 h ASN 194 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1up8 h ASN 194 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1up8 h ASN 194 CO 0.08 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 1up8 n GLY 195 N -0.12 -1.24 3.78 2.83 0.00 -0.68 -4.52 105.19 105.22 1up8 n GLY 195 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1up8 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up8 s LEU 196 N -2.97 4.31 0.32 0.99 1.43 -0.92 -5.01 118.68 116.83 1up8 s LEU 196 Ca 0.11 0.52 0.10 0.00 -1.03 0.00 0.00 54.13 53.84 1up8 s LEU 196 Cb 0.14 -2.29 0.96 0.00 0.03 0.00 0.00 46.19 45.03 1up8 s LEU 196 CO 0.40 0.22 1.66 -0.08 0.23 0.00 0.00 176.35 178.77 1up8 h GLU 197 N 6.00 0.29 -0.71 1.70 4.81 -1.89 -1.53 114.58 123.25 1up8 h GLU 197 Ca -0.46 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 1up8 h GLU 197 Cb 1.18 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1up8 h GLU 197 CO 0.70 0.19 0.40 2.35 -0.73 0.00 0.00 179.01 181.92 1up8 h TRP 198 N 0.30 0.74 0.00 0.92 2.91 -1.85 -1.77 115.95 117.19 1up8 h TRP 198 Ca 0.67 0.03 -0.23 0.00 1.13 0.00 0.00 58.89 60.48 1up8 h TRP 198 Cb 1.47 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 29.86 1up8 h TRP 198 CO -0.09 0.36 -1.39 0.74 -1.03 0.00 0.00 178.44 177.02 1up8 h PHE 199 N 0.74 0.00 -0.02 2.65 -1.00 -1.56 -3.39 116.94 114.37 1up8 h PHE 199 Ca 0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1up8 h PHE 199 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1up8 h PHE 199 CO -0.07 0.89 -0.31 0.27 -1.61 0.00 0.00 178.31 177.48 1up8 n ASN 200 N -3.11 1.89 -4.06 2.17 0.23 -0.65 -3.45 115.26 108.28 1up8 n ASN 200 Ca -0.10 -1.43 -0.21 0.00 -0.53 0.00 0.00 54.58 52.30 1up8 n ASN 200 Cb 0.96 0.28 -0.15 0.00 -2.08 0.00 0.00 39.78 38.79 1up8 n ASN 200 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1up8 s THR 201 N -2.37 0.97 0.75 5.53 2.01 -0.68 -5.03 115.64 116.82 1up8 s THR 201 Ca 0.23 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1up8 s THR 201 Cb 0.19 -0.83 0.04 0.00 0.01 0.00 0.00 72.50 71.91 1up8 s THR 201 CO 0.50 0.28 1.08 -2.16 -0.69 0.00 0.00 174.62 173.63 1up8 s PRO 202 N -0.12 2.47 0.93 4.92 0.04 -1.26 -4.74 135.00 137.24 1up8 s PRO 202 Ca 0.02 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1up8 s PRO 202 Cb -0.07 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.67 1up8 s PRO 202 CO 0.00 -1.37 1.12 0.00 0.04 0.00 0.00 177.00 176.79 1up8 s ALA 203 N -3.14 1.31 0.14 8.56 0.00 -1.26 -5.05 121.76 122.32 1up8 s ALA 203 Ca 0.59 0.43 0.09 0.00 0.00 0.00 0.00 51.96 53.08 1up8 s ALA 203 Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1up8 s ALA 203 CO 0.54 -2.77 -0.17 -1.59 0.00 0.00 0.00 175.76 171.77 1up8 s LYS 204 N -4.67 1.79 -0.11 0.00 -2.85 -1.26 -5.06 119.74 107.58 1up8 s LYS 204 Ca 0.66 -1.25 -0.37 0.00 -1.00 0.00 0.00 55.97 54.02 1up8 s LYS 204 Cb -0.22 -2.08 -0.15 0.00 -2.06 0.00 0.00 37.83 33.32 1up8 s LYS 204 CO 0.59 0.46 1.69 -0.11 0.10 0.00 0.00 175.35 178.07 1up8 n LEU 205 N 0.59 2.63 0.00 2.77 7.94 -1.26 -0.96 117.00 128.70 1up8 n LEU 205 Ca -0.14 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1up8 n LEU 205 Cb 0.54 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.24 1up8 n LEU 205 CO 0.30 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.76 1up8 n GLY 206 N 3.85 2.25 3.72 -3.96 0.00 -1.26 -5.10 105.19 104.69 1up8 n GLY 206 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1up8 n GLY 206 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1up8 s ASP 207 N -1.10 4.34 0.21 1.61 1.01 -0.14 -4.92 116.67 117.68 1up8 s ASP 207 Ca 0.00 2.48 -0.32 0.00 0.71 0.00 0.00 52.55 55.42 1up8 s ASP 207 Cb 0.00 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.19 1up8 s ASP 207 CO 0.00 -2.17 1.41 -2.65 0.21 0.00 0.00 175.17 171.97 1up8 n PRO 208 N -2.37 1.90 -0.04 8.23 -0.02 -1.26 -4.85 135.00 136.59 1up8 n PRO 208 Ca 0.15 0.68 0.22 0.00 -2.02 0.00 0.00 63.50 62.52 1up8 n PRO 208 Cb 0.49 -2.34 0.69 0.00 -0.02 0.00 0.00 33.50 32.32 1up8 n PRO 208 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1up8 h PRO 209 N 4.50 0.02 -0.07 0.52 0.11 -2.00 -1.60 132.00 133.49 1up8 h PRO 209 Ca -0.45 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1up8 h PRO 209 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1up8 h PRO 209 CO 0.78 0.02 -0.71 0.00 -0.21 0.00 0.00 178.00 177.88 1up8 h ALA 210 N 1.69 0.66 -0.32 -0.75 0.00 -1.99 -2.16 119.26 116.39 1up8 h ALA 210 Ca 0.29 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1up8 h ALA 210 Cb 1.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1up8 h ALA 210 CO -0.01 0.77 0.14 0.93 0.00 0.00 0.00 179.25 181.08 1up8 h GLU 211 N 0.23 0.47 -0.97 0.00 5.08 -1.67 -2.45 114.58 115.26 1up8 h GLU 211 Ca -0.02 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1up8 h GLU 211 Cb 1.27 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 1up8 h GLU 211 CO 0.12 0.46 0.64 0.82 -1.00 0.00 0.00 179.01 180.05 1up8 h ILE 212 N 0.38 1.18 -0.37 3.13 2.04 -1.40 0.96 117.51 123.42 1up8 h ILE 212 Ca 0.11 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 1up8 h ILE 212 Cb 0.16 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1up8 h ILE 212 CO -0.01 0.23 -0.36 -0.09 0.00 0.00 0.00 178.15 177.92 1up8 h ARG 213 N 1.24 0.90 -0.02 2.37 2.43 -1.32 -3.27 114.38 116.71 1up8 h ARG 213 Ca 0.38 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1up8 h ARG 213 Cb -0.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1up8 h ARG 213 CO -0.11 1.12 -0.21 2.89 -1.51 0.00 0.00 179.97 182.14 1up8 n ARG 214 N -4.10 1.51 -2.11 0.20 1.85 -0.93 -4.95 116.66 108.12 1up8 n ARG 214 Ca -0.02 -1.13 -0.41 0.00 -1.00 0.00 0.00 57.85 55.29 1up8 n ARG 214 Cb 0.53 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 30.44 1up8 n ARG 214 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1up8 s ARG 215 N -2.27 4.34 0.21 2.89 3.52 0.30 -5.03 118.95 122.92 1up8 s ARG 215 Ca 0.26 2.19 0.05 0.00 -0.13 0.00 0.00 55.73 58.11 1up8 s ARG 215 Cb 0.19 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1up8 s ARG 215 CO 0.44 -0.28 0.23 1.03 -0.81 0.00 0.00 175.30 175.92 1up8 s ARG 216 N -0.85 3.11 0.00 5.12 0.52 -1.26 -5.02 118.95 120.57 1up8 s ARG 216 Ca 0.54 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1up8 s ARG 216 Cb -0.39 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1up8 s ARG 216 CO 0.45 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.64 1up8 n GLY 217 N -0.87 4.58 3.65 -3.53 0.00 -1.26 -4.32 105.19 103.44 1up8 n GLY 217 Ca -0.08 -1.96 -0.64 0.00 0.00 0.00 0.00 46.02 43.34 1up8 n GLY 217 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1up8 n GLU 218 N 0.00 0.03 -2.92 1.61 4.07 -1.22 -4.85 120.64 117.36 1up8 n GLU 218 Ca 0.00 0.01 -0.40 0.00 -0.06 0.00 0.00 57.16 56.71 1up8 n GLU 218 Cb 0.00 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 29.82 1up8 n GLU 218 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1up8 s VAL 219 N 1.81 4.83 0.40 6.31 1.01 -1.26 -5.01 120.40 128.49 1up8 s VAL 219 Ca 0.99 1.71 0.03 0.00 0.00 0.00 0.00 61.98 64.71 1up8 s VAL 219 Cb -1.40 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 30.79 1up8 s VAL 219 CO 0.72 0.28 0.09 0.42 0.00 0.00 0.00 175.10 176.61 1up8 s THR 220 N 0.42 0.86 0.33 3.92 -4.23 -1.26 -4.96 115.64 110.72 1up8 s THR 220 Ca 0.42 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1up8 s THR 220 Cb -0.20 -2.47 0.20 0.00 1.34 0.00 0.00 72.50 71.37 1up8 s THR 220 CO 0.23 0.00 1.91 0.58 -0.54 0.00 0.00 174.62 176.80 1up8 h VAL 221 N 1.83 1.19 0.00 2.29 2.07 -1.97 -1.37 116.25 120.30 1up8 h VAL 221 Ca -0.38 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1up8 h VAL 221 Cb 1.27 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1up8 h VAL 221 CO 0.63 0.23 -0.16 1.23 0.02 0.00 0.00 177.57 179.52 1up8 h GLY 222 N 0.86 0.00 -0.52 2.17 0.00 -1.98 -3.16 103.07 100.44 1up8 h GLY 222 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1up8 h GLY 222 CO -0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.69 1up8 n ASN 223 N -3.37 1.69 -4.71 0.19 0.23 -1.13 -4.92 115.26 103.24 1up8 n ASN 223 Ca -0.00 -1.39 -0.42 0.00 -0.53 0.00 0.00 54.58 52.24 1up8 n ASN 223 Cb 0.37 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 1up8 n ASN 223 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1up8 s LEU 224 N -0.60 4.37 -1.95 -4.53 2.96 -0.53 -2.06 118.68 116.35 1up8 s LEU 224 Ca 0.08 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 1up8 s LEU 224 Cb 0.05 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1up8 s LEU 224 CO 0.08 -0.88 0.00 0.49 -1.32 0.00 0.00 176.35 174.71 1up8 n PHE 225 N 4.46 -0.47 -3.72 5.38 0.99 -1.26 -5.00 117.46 117.84 1up8 n PHE 225 Ca 0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.40 1up8 n PHE 225 Cb 0.38 -3.64 -0.02 0.00 -1.00 0.00 0.00 39.48 35.20 1up8 n PHE 225 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1up8 s ARG 226 N -4.35 3.05 0.48 -1.08 0.52 -0.88 -5.02 118.95 111.67 1up8 s ARG 226 Ca 0.00 -1.05 -0.06 0.00 -0.52 0.00 0.00 55.73 54.10 1up8 s ARG 226 Cb 0.00 -2.72 0.11 0.00 0.52 0.00 0.00 34.95 32.86 1up8 s ARG 226 CO 0.00 0.17 0.66 0.41 0.02 0.00 0.00 175.30 176.56 1up8 n GLY 227 N -1.48 -0.76 0.00 -3.53 0.00 -1.26 -5.05 105.19 93.11 1up8 n GLY 227 Ca -0.03 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1up8 n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1up8 n ILE 228 N -2.75 0.76 -1.95 -0.61 -5.35 -1.26 -4.67 119.36 103.54 1up8 n ILE 228 Ca 0.09 -0.88 -0.39 0.00 -0.27 0.00 0.00 62.75 61.30 1up8 n ILE 228 Cb 0.31 0.62 0.01 0.00 -1.74 0.00 0.00 39.64 38.84 1up8 n ILE 228 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1up8 s LEU 229 N -0.76 4.03 0.01 7.28 1.43 -1.26 -4.90 118.68 124.51 1up8 s LEU 229 Ca 0.00 2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.48 1up8 s LEU 229 Cb 0.00 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 1up8 s LEU 229 CO 0.00 -1.18 2.00 -2.84 0.23 0.00 0.00 176.35 174.56 1up8 s PRO 230 N -2.60 4.03 0.00 1.29 0.02 -1.26 -1.71 135.00 134.77 1up8 s PRO 230 Ca 0.64 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1up8 s PRO 230 Cb -0.38 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 29.95 1up8 s PRO 230 CO 0.47 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1up8 n GLY 231 N 4.69 2.64 0.20 0.52 0.00 -1.26 -4.66 105.19 107.32 1up8 n GLY 231 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 1up8 n GLY 231 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1up8 h SER 232 N 0.06 0.44 -0.16 1.61 0.02 -1.55 -3.17 113.55 110.79 1up8 h SER 232 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1up8 h SER 232 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1up8 h SER 232 CO 0.00 0.86 0.00 -0.62 -1.14 0.00 0.00 176.83 175.93 1up8 n GLU 233 N -3.97 1.66 -4.40 3.45 1.02 -1.26 -4.84 120.64 112.29 1up8 n GLU 233 Ca -0.02 -0.99 -0.34 0.00 -0.02 0.00 0.00 57.16 55.79 1up8 n GLU 233 Cb 0.55 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.49 1up8 n GLU 233 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1up8 s VAL 234 N -1.79 3.99 0.00 2.62 1.01 -1.20 -4.93 120.40 120.10 1up8 s VAL 234 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1up8 s VAL 234 Cb 0.16 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1up8 s VAL 234 CO 0.25 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1up8 n GLY 235 N 3.15 -1.29 3.72 4.51 0.00 -1.26 -4.92 105.19 109.10 1up8 n GLY 235 Ca -0.18 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1up8 n GLY 235 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1up8 s PRO 236 N 0.00 1.83 0.07 1.61 0.02 -1.26 -4.97 135.00 132.29 1up8 s PRO 236 Ca 0.00 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 1up8 s PRO 236 Cb 0.00 -1.82 -0.18 0.00 0.02 0.00 0.00 34.50 32.52 1up8 s PRO 236 CO 0.00 -2.03 1.60 -0.92 -0.33 0.00 0.00 177.00 175.32 1up8 h TYR 237 N -0.93 -0.66 -3.64 6.54 3.20 -1.91 -3.43 116.97 116.15 1up8 h TYR 237 Ca -0.45 -0.02 -0.51 0.00 3.14 0.00 0.00 58.73 60.89 1up8 h TYR 237 Cb 1.27 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 1up8 h TYR 237 CO 0.50 -0.39 0.40 -0.51 -1.64 0.00 0.00 178.16 176.52 1up8 s LEU 238 N -10.02 4.55 0.50 2.82 1.43 -1.26 -4.94 118.68 111.76 1up8 s LEU 238 Ca -0.16 1.97 -0.22 0.00 -1.03 0.00 0.00 54.13 54.69 1up8 s LEU 238 Cb 0.04 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 1up8 s LEU 238 CO 0.62 -0.05 1.08 -0.24 0.23 0.00 0.00 176.35 177.99 1up8 n SER 239 N 2.12 1.51 -0.12 2.29 2.88 -1.26 -4.89 113.62 116.15 1up8 n SER 239 Ca 0.01 0.96 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 1up8 n SER 239 Cb 0.47 -1.42 0.53 0.00 -0.75 0.00 0.00 64.21 63.05 1up8 n SER 239 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1up8 h GLN 240 N 1.28 0.34 0.00 -1.46 1.08 -1.91 -2.53 115.11 111.91 1up8 h GLN 240 Ca -0.47 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1up8 h GLN 240 Cb 1.33 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1up8 h GLN 240 CO 0.55 0.22 0.00 0.66 -0.95 0.00 0.00 178.83 179.32 1up8 n TYR 241 N -4.46 0.00 0.90 2.96 0.53 -1.26 -1.49 117.16 114.33 1up8 n TYR 241 Ca 0.13 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.11 1up8 n TYR 241 Cb 0.51 -0.41 0.07 0.00 -1.03 0.00 0.00 39.34 38.47 1up8 n TYR 241 CO 0.00 0.00 0.00 1.51 -1.02 0.00 0.00 176.86 177.35 1up8 n ILE 242 N -1.41 0.00 0.00 -0.72 3.06 -0.95 -4.55 119.36 114.79 1up8 n ILE 242 Ca 0.08 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.88 1up8 n ILE 242 Cb 0.24 1.40 0.00 0.00 0.54 0.00 0.00 39.64 41.82 1up8 n ILE 242 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1up8 n ILE 243 N 0.90 0.00 -2.05 9.51 -5.35 -1.05 -4.82 119.36 116.50 1up8 n ILE 243 Ca 0.12 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.28 1up8 n ILE 243 Cb 0.51 -0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1up8 n ILE 243 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1up8 s VAL 244 N -1.59 4.54 0.00 7.28 -7.23 -0.56 -4.19 120.40 118.65 1up8 s VAL 244 Ca 0.00 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 1up8 s VAL 244 Cb 0.00 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.19 1up8 s VAL 244 CO 0.00 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.48 1up8 n GLY 245 N -2.16 0.94 3.41 2.32 0.00 -0.11 -4.69 105.19 104.89 1up8 n GLY 245 Ca 0.06 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1up8 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1up8 s SER 246 N -1.00 2.05 0.31 1.61 1.04 -0.69 -4.88 113.70 112.14 1up8 s SER 246 Ca 0.00 -1.36 -0.26 0.00 0.48 0.00 0.00 55.95 54.81 1up8 s SER 246 Cb 0.00 -0.02 -0.14 0.00 0.10 0.00 0.00 66.02 65.96 1up8 s SER 246 CO 0.00 -0.62 0.76 1.17 0.98 0.00 0.00 173.24 175.53 1up8 n LYS 247 N -0.61 0.82 -4.13 4.02 4.81 -1.26 -3.90 118.16 117.91 1up8 n LYS 247 Ca -0.02 0.29 -0.22 0.00 -0.87 0.00 0.00 58.31 57.49 1up8 n LYS 247 Cb 0.66 -1.56 -0.05 0.00 0.02 0.00 0.00 35.03 34.10 1up8 n LYS 247 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1up8 s GLN 248 N -1.45 2.71 0.19 1.64 -1.52 -1.26 -4.45 119.66 115.52 1up8 s GLN 248 Ca 0.61 -1.20 -0.32 0.00 -1.95 0.00 0.00 55.36 52.50 1up8 s GLN 248 Cb -0.72 -2.43 -0.11 0.00 -0.22 0.00 0.00 33.01 29.53 1up8 s GLN 248 CO 0.58 0.34 1.63 0.42 -0.25 0.00 0.00 175.29 178.01 1up8 s ILE 249 N -2.22 2.35 0.00 1.08 -1.09 -1.26 -2.46 121.20 117.60 1up8 s ILE 249 Ca 0.34 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1up8 s ILE 249 Cb -0.07 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1up8 s ILE 249 CO 0.24 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 1up8 n GLY 250 N 3.71 2.44 3.63 6.18 0.00 -1.26 -4.65 105.19 115.24 1up8 n GLY 250 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1up8 n GLY 250 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1up8 s SER 251 N -1.40 6.56 0.08 1.61 0.01 -1.03 -3.17 113.70 116.36 1up8 s SER 251 Ca 0.00 0.68 -0.26 0.00 1.31 0.00 0.00 55.95 57.68 1up8 s SER 251 Cb 0.00 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 63.99 1up8 s SER 251 CO 0.00 -0.34 0.81 0.00 0.41 0.00 0.00 173.24 174.12 1up8 s ALA 252 N 2.37 -1.70 -0.17 1.44 0.00 -0.80 -4.90 121.76 118.00 1up8 s ALA 252 Ca 0.25 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 1up8 s ALA 252 Cb -0.16 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1up8 s ALA 252 CO 0.09 -0.78 -0.15 0.99 0.00 0.00 0.00 175.76 175.91 1up8 s THR 253 N -3.37 2.63 -0.33 0.00 2.01 -1.26 -0.92 115.64 114.39 1up8 s THR 253 Ca 0.05 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1up8 s THR 253 Cb -0.01 -2.12 0.10 0.00 0.01 0.00 0.00 72.50 70.48 1up8 s THR 253 CO -0.08 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1up8 s VAL 254 N 1.00 1.85 0.00 3.82 1.01 -0.28 -5.00 120.40 122.80 1up8 s VAL 254 Ca -0.02 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1up8 s VAL 254 Cb -0.15 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1up8 s VAL 254 CO -0.03 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.05 1up8 n GLY 255 N 4.42 3.75 0.32 4.51 0.00 -1.26 -1.15 105.19 115.78 1up8 n GLY 255 Ca 0.02 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1up8 n GLY 255 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1up8 n ASN 256 N 6.66 1.02 -4.72 1.61 0.23 -1.26 -4.91 115.26 113.89 1up8 n ASN 256 Ca 0.00 -1.30 -0.35 0.00 -0.53 0.00 0.00 54.58 52.40 1up8 n ASN 256 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1up8 n ASN 256 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1up8 s LYS 257 N -2.04 4.09 -0.16 -3.83 2.20 -0.30 -5.10 119.74 114.60 1up8 s LYS 257 Ca 0.40 -0.24 -0.11 0.00 -0.36 0.00 0.00 55.97 55.66 1up8 s LYS 257 Cb 0.21 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 1up8 s LYS 257 CO 0.36 0.33 0.21 0.99 -0.36 0.00 0.00 175.35 176.89 1up8 s THR 258 N 0.25 5.36 0.07 3.43 2.01 -1.26 -1.13 115.64 124.37 1up8 s THR 258 Ca 0.08 0.38 0.09 0.00 0.31 0.00 0.00 61.69 62.54 1up8 s THR 258 Cb -0.11 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1up8 s THR 258 CO -0.01 0.46 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.38 1up8 s LEU 259 N 0.10 2.39 -0.06 4.42 1.02 -0.10 -5.01 118.68 121.44 1up8 s LEU 259 Ca 0.13 -0.57 0.06 0.00 0.02 0.00 0.00 54.13 53.78 1up8 s LEU 259 Cb -0.12 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.70 1up8 s LEU 259 CO 0.02 0.23 -0.25 -0.69 0.02 0.00 0.00 176.35 175.69 1up8 s VAL 260 N -0.93 2.03 0.25 -1.59 1.01 -1.21 -1.91 120.40 118.04 1up8 s VAL 260 Ca 0.14 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1up8 s VAL 260 Cb -0.10 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 1up8 s VAL 260 CO 0.05 0.56 1.42 -0.55 0.00 0.00 0.00 175.10 176.58 1up8 s SER 261 N -0.17 6.68 0.49 3.32 0.15 -1.19 -4.58 113.70 118.40 1up8 s SER 261 Ca -0.03 2.65 0.33 0.00 0.70 0.00 0.00 55.95 59.59 1up8 s SER 261 Cb -0.14 -2.62 1.74 0.00 -1.71 0.00 0.00 66.02 63.29 1up8 s SER 261 CO 0.03 -0.68 2.01 1.55 1.20 0.00 0.00 173.24 177.36 1up8 h PRO 262 N 4.98 0.00 -0.23 5.44 0.13 -1.90 -2.31 132.00 138.11 1up8 h PRO 262 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1up8 h PRO 262 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1up8 h PRO 262 CO 0.77 0.00 -0.11 0.09 -0.23 0.00 0.00 178.00 178.52 1up8 n ASN 263 N -2.69 2.66 -0.29 1.44 3.02 -1.26 -4.82 115.26 113.32 1up8 n ASN 263 Ca -0.02 -3.53 0.20 0.00 -0.03 0.00 0.00 54.58 51.21 1up8 n ASN 263 Cb 0.09 -0.57 0.48 0.00 -0.61 0.00 0.00 39.78 39.17 1up8 n ASN 263 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up8 h ALA 264 N 1.04 2.15 0.00 5.41 0.00 -1.79 -0.10 119.26 125.96 1up8 h ALA 264 Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1up8 h ALA 264 Cb 1.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1up8 h ALA 264 CO 0.24 -0.49 -0.00 0.00 0.00 0.00 0.00 179.25 178.99 1up8 h ALA 265 N 1.61 1.06 -0.12 0.00 0.00 -1.87 -2.79 119.26 117.14 1up8 h ALA 265 Ca 0.54 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.48 1up8 h ALA 265 Cb 1.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1up8 h ALA 265 CO -0.25 0.00 0.11 -0.44 0.00 0.00 0.00 179.25 178.67 1up8 h ASP 266 N 0.00 0.00 -0.65 0.00 3.32 -1.37 -1.76 116.42 115.97 1up8 h ASP 266 Ca -0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 1up8 h ASP 266 Cb 0.02 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.48 1up8 h ASP 266 CO 0.00 0.00 0.21 -0.08 -1.72 0.00 0.00 179.24 177.65 1up8 h GLU 267 N 0.00 0.36 -0.60 3.56 4.81 -1.61 -2.22 114.58 118.88 1up8 h GLU 267 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1up8 h GLU 267 Cb 0.28 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1up8 h GLU 267 CO -0.00 0.24 0.00 1.19 -0.73 0.00 0.00 179.01 179.71 1up8 n PHE 268 N -5.04 0.95 -2.02 0.92 3.01 -0.67 -0.93 117.46 113.68 1up8 n PHE 268 Ca 0.10 -0.43 -0.06 0.00 1.01 0.00 0.00 57.45 58.07 1up8 n PHE 268 Cb 0.33 -0.08 0.10 0.00 -0.01 0.00 0.00 39.48 39.81 1up8 n PHE 268 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1up8 n ASP 269 N 1.08 2.82 -1.16 4.37 2.03 -0.88 -4.35 116.55 120.46 1up8 n ASP 269 Ca 0.20 -3.39 -0.12 0.00 0.52 0.00 0.00 54.79 52.00 1up8 n ASP 269 Cb 0.59 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 1up8 n ASP 269 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1up8 n GLY 270 N -0.70 0.56 3.49 0.27 0.00 -1.21 -4.91 105.19 102.68 1up8 n GLY 270 Ca 0.25 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1up8 n GLY 270 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1up8 s GLU 271 N -3.85 3.54 -0.18 1.61 0.41 -0.94 -0.45 118.70 118.85 1up8 s GLU 271 Ca 0.00 -0.59 -0.20 0.00 -0.41 0.00 0.00 54.97 53.77 1up8 s GLU 271 Cb 0.00 -3.61 -0.03 0.00 -1.78 0.00 0.00 34.13 28.71 1up8 s GLU 271 CO 0.00 -0.34 0.59 0.42 -0.49 0.00 0.00 175.26 175.44 1up8 s ILE 272 N 1.67 5.06 0.02 -1.63 1.01 0.66 -1.71 121.20 126.28 1up8 s ILE 272 Ca 0.06 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 1up8 s ILE 272 Cb -0.17 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 1up8 s ILE 272 CO 0.08 0.16 1.87 0.00 0.00 0.00 0.00 174.94 177.05 1up8 s ALA 273 N 1.60 3.60 -0.51 9.38 0.00 -1.26 -0.54 121.76 134.03 1up8 s ALA 273 Ca 0.28 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.49 1up8 s ALA 273 Cb -0.16 -3.81 0.14 0.00 0.00 0.00 0.00 23.12 19.29 1up8 s ALA 273 CO 0.11 -1.50 0.28 -0.47 0.00 0.00 0.00 175.76 174.18 1up8 s TYR 274 N 4.25 2.68 0.00 0.00 6.04 0.45 -4.85 117.35 125.91 1up8 s TYR 274 Ca 0.84 -2.87 0.00 0.00 0.04 0.00 0.00 57.07 55.08 1up8 s TYR 274 Cb -0.40 -2.37 0.00 0.00 -1.04 0.00 0.00 41.96 38.15 1up8 s TYR 274 CO 0.38 -0.74 0.00 0.41 -1.54 0.00 0.00 175.55 174.06 1up8 n GLY 275 N 3.13 3.56 1.17 8.97 0.00 -1.26 -1.77 105.19 118.98 1up8 n GLY 275 Ca 0.09 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1up8 n GLY 275 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1up8 n SER 276 N 5.78 3.42 -0.64 1.61 7.64 -1.26 -4.90 113.62 125.27 1up8 n SER 276 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1up8 n SER 276 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1up8 n SER 276 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1up8 n ILE 277 N 1.40 0.00 -4.08 0.44 -5.35 -0.73 -5.10 119.36 105.94 1up8 n ILE 277 Ca 0.21 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.60 1up8 n ILE 277 Cb 0.57 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.36 1up8 n ILE 277 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1up8 s THR 278 N 0.30 0.34 -0.09 7.28 -4.23 -1.26 -0.41 115.64 117.57 1up8 s THR 278 Ca 0.00 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1up8 s THR 278 Cb 0.00 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 1up8 s THR 278 CO 0.00 -0.81 -0.09 -0.63 -0.54 0.00 0.00 174.62 172.56 1up8 s ILE 279 N -3.09 3.52 -0.20 2.99 1.01 0.30 -4.85 121.20 120.89 1up8 s ILE 279 Ca 0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1up8 s ILE 279 Cb 0.02 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1up8 s ILE 279 CO -0.06 0.57 0.15 -0.55 0.00 0.00 0.00 174.94 175.05 1up8 s SER 280 N -0.44 6.22 0.00 3.58 0.15 -1.26 -0.24 113.70 121.71 1up8 s SER 280 Ca 0.06 0.24 0.20 0.00 0.70 0.00 0.00 55.95 57.16 1up8 s SER 280 Cb -0.12 -2.10 1.13 0.00 -1.71 0.00 0.00 66.02 63.22 1up8 s SER 280 CO 0.02 0.16 1.62 0.00 1.20 0.00 0.00 173.24 176.24 1up8 n GLN 281 N 3.63 0.48 -2.61 5.44 1.13 0.41 -4.83 117.38 121.02 1up8 n GLN 281 Ca -0.15 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 1up8 n GLN 281 Cb 0.52 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 1up8 n GLN 281 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1up8 s ARG 282 N -2.27 4.42 0.03 -1.09 0.52 -1.26 -4.61 118.95 114.68 1up8 s ARG 282 Ca 0.25 1.49 -0.05 0.00 -0.52 0.00 0.00 55.73 56.90 1up8 s ARG 282 Cb 0.14 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 1up8 s ARG 282 CO 0.27 -0.31 0.27 0.54 0.02 0.00 0.00 175.30 176.09 1up8 s VAL 283 N 1.89 5.30 0.66 3.52 0.11 -0.03 -4.62 120.40 127.24 1up8 s VAL 283 Ca 0.51 0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.47 1up8 s VAL 283 Cb -0.21 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1up8 s VAL 283 CO 0.21 0.30 1.19 -0.13 -3.33 0.00 0.00 175.10 173.34 1up8 s ARG 284 N -1.96 2.58 -0.43 1.54 1.81 -1.26 -1.34 118.95 119.89 1up8 s ARG 284 Ca 0.30 1.73 -0.08 0.00 -1.72 0.00 0.00 55.73 55.95 1up8 s ARG 284 Cb -0.13 -1.89 0.10 0.00 -0.45 0.00 0.00 34.95 32.58 1up8 s ARG 284 CO 0.18 -1.48 0.28 0.42 -0.68 0.00 0.00 175.30 174.02 1up8 s ILE 285 N -1.88 4.09 0.39 1.52 1.01 -1.26 -4.89 121.20 120.16 1up8 s ILE 285 Ca 0.74 -1.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 1up8 s ILE 285 Cb -0.28 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1up8 s ILE 285 CO 0.40 -0.61 1.24 0.00 0.00 0.00 0.00 174.94 175.97 1up8 s ALA 286 N 1.37 3.25 -0.40 9.38 0.00 -1.26 -1.13 121.76 132.97 1up8 s ALA 286 Ca 0.04 1.12 -0.41 0.00 0.00 0.00 0.00 51.96 52.71 1up8 s ALA 286 Cb -0.24 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.28 1up8 s ALA 286 CO 0.00 -0.66 1.91 2.41 0.00 0.00 0.00 175.76 179.42 1up8 n THR 287 N 0.24 0.14 -1.70 0.00 -1.04 -0.98 -4.78 114.28 106.16 1up8 n THR 287 Ca 0.03 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 1up8 n THR 287 Cb 0.44 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 67.96 1up8 n THR 287 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1up8 n PRO 288 N 6.26 2.19 0.00 -2.82 -0.02 -1.26 -3.15 135.00 136.20 1up8 n PRO 288 Ca 0.38 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 1up8 n PRO 288 Cb 0.07 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1up8 n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1up8 n GLY 289 N 1.11 2.89 3.55 -1.23 0.00 -1.26 -4.99 105.19 105.26 1up8 n GLY 289 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1up8 n GLY 289 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1up8 s ARG 290 N -0.07 3.43 0.51 1.61 3.52 -1.19 -5.02 118.95 121.74 1up8 s ARG 290 Ca 0.00 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 55.60 1up8 s ARG 290 Cb 0.00 -3.94 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 1up8 s ARG 290 CO 0.00 -1.15 0.26 -0.51 -0.81 0.00 0.00 175.30 173.09 1up8 s ASP 291 N 2.18 4.48 0.15 -2.12 1.01 -1.26 -4.94 116.67 116.16 1up8 s ASP 291 Ca 0.32 -1.31 -0.00 0.00 0.71 0.00 0.00 52.55 52.26 1up8 s ASP 291 Cb -0.12 0.28 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 1up8 s ASP 291 CO 0.24 -0.94 0.04 -0.36 0.21 0.00 0.00 175.17 174.35 1up8 s PHE 292 N -2.76 0.99 -1.51 4.23 0.40 0.31 -4.87 117.98 114.77 1up8 s PHE 292 Ca 0.28 -1.16 -0.13 0.00 -0.60 0.00 0.00 56.93 55.32 1up8 s PHE 292 Cb -0.00 -0.56 0.08 0.00 0.51 0.00 0.00 43.02 43.04 1up8 s PHE 292 CO 0.17 -0.41 0.99 -1.33 0.70 0.00 0.00 175.22 175.33 1up8 n MET 293 N -0.15 -5.69 0.00 0.44 2.81 -1.26 -1.62 117.12 111.64 1up8 n MET 293 Ca -0.06 0.62 0.11 0.00 -1.81 0.00 0.00 57.70 56.56 1up8 n MET 293 Cb 0.64 -5.50 0.09 0.00 -0.71 0.00 0.00 33.22 27.73 1up8 n MET 293 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1up8 n THR 294 N -4.69 0.00 -3.98 2.03 -2.24 -1.26 -4.70 114.28 99.44 1up8 n THR 294 Ca 0.02 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 1up8 n THR 294 Cb 0.54 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 69.43 1up8 n THR 294 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1up8 s ASP 295 N -2.78 5.41 0.27 3.42 -1.08 -1.26 -4.80 116.67 115.85 1up8 s ASP 295 Ca 0.14 -0.02 -0.00 0.00 -0.52 0.00 0.00 52.55 52.15 1up8 s ASP 295 Cb 0.17 -1.94 0.55 0.00 -1.46 0.00 0.00 42.92 40.25 1up8 s ASP 295 CO 0.69 0.11 1.77 0.25 0.52 0.00 0.00 175.17 178.52 1up8 h LEU 296 N 7.16 0.61 -0.59 -1.34 5.85 -1.95 -0.90 115.31 124.15 1up8 h LEU 296 Ca -0.36 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1up8 h LEU 296 Cb 1.17 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1up8 h LEU 296 CO 0.65 0.26 0.10 0.11 -0.34 0.00 0.00 178.44 179.23 1up8 h LYS 297 N 0.69 0.97 -0.31 1.25 1.57 -1.96 0.43 116.57 119.21 1up8 h LYS 297 Ca 0.48 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1up8 h LYS 297 Cb 0.65 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1up8 h LYS 297 CO -0.35 0.92 -0.05 0.28 -0.57 0.00 0.00 179.45 179.68 1up8 h VAL 298 N 0.87 1.27 -0.33 0.50 2.07 -1.81 -1.98 116.25 116.84 1up8 h VAL 298 Ca 0.18 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.71 1up8 h VAL 298 Cb 0.42 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1up8 h VAL 298 CO 0.01 0.34 -0.05 0.15 0.02 0.00 0.00 177.57 178.04 1up8 h PHE 299 N 0.36 -0.12 -0.42 1.57 3.57 -1.04 -1.28 116.94 119.58 1up8 h PHE 299 Ca 0.08 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1up8 h PHE 299 Cb 0.52 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1up8 h PHE 299 CO 0.05 -0.12 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.85 1up8 h LEU 300 N 0.03 0.72 -0.73 0.59 3.38 -0.89 -1.30 115.31 117.11 1up8 h LEU 300 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1up8 h LEU 300 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1up8 h LEU 300 CO -0.32 0.85 0.46 0.44 0.09 0.00 0.00 178.44 179.96 1up8 h ASP 301 N 0.67 0.87 -0.45 -0.43 3.32 -1.01 -0.05 116.42 119.34 1up8 h ASP 301 Ca 0.12 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1up8 h ASP 301 Cb 0.55 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1up8 h ASP 301 CO 0.03 0.66 0.10 0.58 -1.72 0.00 0.00 179.24 178.90 1up8 h VAL 302 N 1.00 1.24 -0.10 -1.35 2.07 -0.97 -0.19 116.25 117.94 1up8 h VAL 302 Ca 0.27 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1up8 h VAL 302 Cb -0.06 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1up8 h VAL 302 CO -0.05 0.29 0.11 1.56 0.02 0.00 0.00 177.57 179.50 1up8 h GLN 303 N 0.60 0.00 -0.62 1.57 1.08 -0.88 -0.80 115.11 116.06 1up8 h GLN 303 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1up8 h GLN 303 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1up8 h GLN 303 CO 0.00 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.63 1up8 n ASP 304 N -3.82 5.22 0.00 1.46 8.00 -0.06 -0.79 116.55 126.55 1up8 n ASP 304 Ca -0.01 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1up8 n ASP 304 Cb 0.22 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1up8 n ASP 304 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up8 n ALA 305 N 0.68 0.00 -1.68 2.24 0.00 -0.31 -3.98 120.51 117.47 1up8 n ALA 305 Ca 0.25 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.24 1up8 n ALA 305 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.48 1up8 n ALA 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1up8 n ALA 306 N 0.47 1.33 -2.84 0.00 0.00 -0.16 -2.12 120.51 117.19 1up8 n ALA 306 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 1up8 n ALA 306 Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 1up8 n ALA 306 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1up8 s ASP 307 N 3.08 6.72 0.00 0.00 -1.08 -0.80 -4.63 116.67 119.95 1up8 s ASP 307 Ca 0.87 -2.18 0.16 0.00 -0.52 0.00 0.00 52.55 50.88 1up8 s ASP 307 Cb -0.62 -2.44 0.54 0.00 -1.46 0.00 0.00 42.92 38.93 1up8 s ASP 307 CO 0.44 -1.08 1.41 0.49 0.52 0.00 0.00 175.17 176.95 1up8 n PHE 308 N 6.90 0.33 -1.69 -5.34 3.01 -1.26 -4.83 117.46 114.59 1up8 n PHE 308 Ca 0.30 -0.17 -0.44 0.00 1.01 0.00 0.00 57.45 58.16 1up8 n PHE 308 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 1up8 n PHE 308 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1up8 n ARG 309 N 0.40 2.58 -0.07 -1.08 1.74 -1.26 -2.38 116.66 116.60 1up8 n ARG 309 Ca 0.14 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1up8 n ARG 309 Cb 0.31 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1up8 n ARG 309 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1up8 n GLY 310 N 3.98 0.67 0.07 -0.13 0.00 -1.26 -4.99 105.19 103.53 1up8 n GLY 310 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1up8 n GLY 310 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1up8 n PHE 311 N -2.02 0.64 -1.52 1.61 7.35 -1.00 -4.91 117.46 117.60 1up8 n PHE 311 Ca 0.00 0.19 -0.35 0.00 -0.76 0.00 0.00 57.45 56.53 1up8 n PHE 311 Cb 0.00 -0.78 0.08 0.00 0.35 0.00 0.00 39.48 39.13 1up8 n PHE 311 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1up8 s GLU 312 N -3.08 2.27 0.21 -4.13 8.01 -1.26 -5.05 118.70 115.66 1up8 s GLU 312 Ca 0.11 1.79 0.07 0.00 0.01 0.00 0.00 54.97 56.96 1up8 s GLU 312 Cb 0.14 -1.84 -0.04 0.00 -4.31 0.00 0.00 34.13 28.08 1up8 s GLU 312 CO 0.60 -1.75 0.08 -1.54 0.01 0.00 0.00 175.26 172.66 1up8 s SER 313 N -1.93 5.09 0.06 -0.19 1.04 -1.26 -5.10 113.70 111.41 1up8 s SER 313 Ca 0.75 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1up8 s SER 313 Cb -0.30 -1.18 -0.03 0.00 0.10 0.00 0.00 66.02 64.61 1up8 s SER 313 CO 0.44 0.04 -0.06 -0.31 0.98 0.00 0.00 173.24 174.32 1up8 s TYR 314 N -1.95 0.70 0.46 5.02 1.51 -1.26 -2.33 117.35 119.50 1up8 s TYR 314 Ca 0.30 -0.75 -0.08 0.00 -1.01 0.00 0.00 57.07 55.54 1up8 s TYR 314 Cb -0.09 -0.43 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 1up8 s TYR 314 CO 0.22 -0.16 0.80 -1.21 -1.11 0.00 0.00 175.55 174.09 1up8 s GLU 315 N -2.80 3.64 0.62 -0.62 2.02 -0.29 -4.83 118.70 116.44 1up8 s GLU 315 Ca 0.01 0.36 -0.18 0.00 0.02 0.00 0.00 54.97 55.17 1up8 s GLU 315 Cb -0.01 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 1up8 s GLU 315 CO -0.03 -0.17 1.25 -2.14 0.02 0.00 0.00 175.26 174.18 1up8 s PRO 316 N -4.42 2.78 1.34 0.39 0.02 -1.26 -4.55 135.00 129.29 1up8 s PRO 316 Ca 0.50 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1up8 s PRO 316 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1up8 s PRO 316 CO 0.40 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 1up8 n GLY 317 N 0.68 -0.80 3.57 0.52 0.00 -1.26 -4.92 105.19 102.98 1up8 n GLY 317 Ca 0.15 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1up8 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1up8 s ALA 318 N -1.49 -1.90 0.02 4.61 0.00 -1.26 -4.40 121.76 117.33 1up8 s ALA 318 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.44 1up8 s ALA 318 Cb 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1up8 s ALA 318 CO 0.00 -0.31 0.21 -0.98 0.00 0.00 0.00 175.76 174.68 1up8 s ARG 319 N -0.95 0.63 0.35 0.00 1.70 -0.45 -4.79 118.95 115.44 1up8 s ARG 319 Ca -0.03 -0.46 -0.26 0.00 -0.47 0.00 0.00 55.73 54.51 1up8 s ARG 319 Cb -0.01 0.27 -0.13 0.00 -0.57 0.00 0.00 34.95 34.51 1up8 s ARG 319 CO 0.02 -0.17 0.90 1.28 -1.08 0.00 0.00 175.30 176.25 1up8 n LEU 320 N 1.03 1.57 -4.68 -1.89 4.77 -1.26 -0.85 117.00 115.68 1up8 n LEU 320 Ca -0.21 1.09 -0.49 0.00 -0.03 0.00 0.00 56.01 56.37 1up8 n LEU 320 Cb 0.57 -1.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 1up8 n LEU 320 CO 0.22 -1.76 1.45 -0.38 -1.33 0.00 0.00 177.39 175.58 1up8 n ILE 321 N -0.19 0.50 -0.06 -0.08 5.41 -1.26 -4.85 119.36 118.83 1up8 n ILE 321 Ca 0.10 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.63 1up8 n ILE 321 Cb 0.35 -1.78 -0.04 0.00 -0.71 0.00 0.00 39.64 37.46 1up8 n ILE 321 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1up8 n ARG 322 N 6.21 0.27 -4.21 0.38 0.63 -1.26 -4.89 116.66 113.79 1up8 n ARG 322 Ca 0.22 0.12 -0.25 0.00 -0.92 0.00 0.00 57.85 57.02 1up8 n ARG 322 Cb 0.28 -0.96 -0.08 0.00 0.45 0.00 0.00 32.46 32.15 1up8 n ARG 322 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1up8 s THR 323 N -2.26 2.40 0.26 5.15 -4.23 -1.26 -1.83 115.64 113.87 1up8 s THR 323 Ca -0.18 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1up8 s THR 323 Cb 0.06 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 71.17 1up8 s THR 323 CO 0.22 -0.05 1.75 0.40 -0.54 0.00 0.00 174.62 176.40 1up8 h ILE 324 N 1.53 0.69 -0.32 2.99 2.04 -1.47 -1.28 117.51 121.70 1up8 h ILE 324 Ca -0.43 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1up8 h ILE 324 Cb 1.25 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1up8 h ILE 324 CO 0.70 0.10 0.02 -0.09 0.00 0.00 0.00 178.15 178.88 1up8 h ARG 325 N 0.54 0.48 -0.66 2.37 2.43 -1.42 -2.25 114.38 115.86 1up8 h ARG 325 Ca 0.45 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1up8 h ARG 325 Cb 0.67 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1up8 h ARG 325 CO -0.39 0.49 0.31 -0.44 -1.51 0.00 0.00 179.97 178.43 1up8 h ASP 326 N 0.46 0.84 0.06 -3.80 3.32 -1.51 -0.12 116.42 115.67 1up8 h ASP 326 Ca 0.10 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1up8 h ASP 326 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1up8 h ASP 326 CO 0.01 0.72 -0.53 0.25 -1.72 0.00 0.00 179.24 177.96 1up8 h LEU 327 N 0.93 0.57 -0.68 1.55 5.85 -1.24 -1.25 115.31 121.03 1up8 h LEU 327 Ca 0.23 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1up8 h LEU 327 Cb 0.10 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1up8 h LEU 327 CO -0.03 0.99 0.44 0.00 -0.34 0.00 0.00 178.44 179.50 1up8 h ALA 328 N 1.02 0.87 -0.87 1.25 0.00 -0.82 -2.70 119.26 118.01 1up8 h ALA 328 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1up8 h ALA 328 Cb 1.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1up8 h ALA 328 CO 0.10 0.25 0.45 1.15 0.00 0.00 0.00 179.25 181.20 1up8 h THR 329 N 0.89 1.26 -0.40 0.00 2.02 -0.80 -2.85 112.91 113.03 1up8 h THR 329 Ca 0.26 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.84 1up8 h THR 329 Cb -0.06 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 66.39 1up8 h THR 329 CO -0.08 0.30 -0.03 -0.25 0.37 0.00 0.00 175.52 175.84 1up8 h TRP 330 N 1.23 -0.07 -0.12 3.16 7.01 -0.94 -2.61 115.95 123.62 1up8 h TRP 330 Ca 0.30 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1up8 h TRP 330 Cb 0.07 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1up8 h TRP 330 CO 0.01 -0.10 0.00 1.33 -2.79 0.00 0.00 178.44 176.89 1up8 n VAL 331 N -5.22 0.15 0.08 2.65 0.24 -1.04 -3.04 118.33 112.14 1up8 n VAL 331 Ca 0.03 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 1up8 n VAL 331 Cb 0.21 0.17 -0.07 0.00 -1.47 0.00 0.00 33.84 32.68 1up8 n VAL 331 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1up8 h HIS 332 N 1.52 0.12 0.00 6.34 6.17 -1.24 -3.39 115.15 124.67 1up8 h HIS 332 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1up8 h HIS 332 Cb 0.33 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1up8 h HIS 332 CO 0.07 0.99 0.00 1.19 0.71 0.00 0.00 177.93 180.89 1up8 n PHE 333 N -3.48 0.00 -1.68 5.26 3.01 -1.23 -5.09 117.46 114.25 1up8 n PHE 333 Ca -0.02 -0.05 -0.43 0.00 1.01 0.00 0.00 57.45 57.96 1up8 n PHE 333 Cb 0.89 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.35 1up8 n PHE 333 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1up8 n ASP 334 N -0.05 2.57 -4.51 4.37 5.75 -1.17 -4.85 116.55 118.67 1up8 n ASP 334 Ca 0.00 1.19 -0.43 0.00 -0.01 0.00 0.00 54.79 55.55 1up8 n ASP 334 Cb 0.19 -1.45 -0.02 0.00 -1.03 0.00 0.00 41.12 38.81 1up8 n ASP 334 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1up8 s ALA 335 N -0.94 3.29 0.00 2.12 0.00 -1.26 -4.92 121.76 120.05 1up8 s ALA 335 Ca 0.58 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1up8 s ALA 335 Cb -0.60 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.22 1up8 s ALA 335 CO 0.60 -3.18 0.00 -0.11 0.00 0.00 0.00 175.76 173.07 1up8 n LEU 336 N 7.35 0.00 -1.09 0.00 7.94 -1.26 -1.77 117.00 128.17 1up8 n LEU 336 Ca 0.33 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.31 1up8 n LEU 336 Cb 0.48 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.67 1up8 n LEU 336 CO 0.61 0.00 0.70 0.00 -1.11 0.00 0.00 177.39 177.59 1up8 n TYR 337 N 0.00 0.87 -0.11 1.96 0.18 -1.26 -4.71 117.16 114.09 1up8 n TYR 337 Ca 0.00 -0.39 -0.05 0.00 1.88 0.00 0.00 57.90 59.34 1up8 n TYR 337 Cb 0.00 -0.09 0.01 0.00 -0.38 0.00 0.00 39.34 38.88 1up8 n TYR 337 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1up8 h GLU 338 N 3.03 -0.03 -0.83 -3.48 4.81 -1.71 -0.10 114.58 116.28 1up8 h GLU 338 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1up8 h GLU 338 Cb 0.89 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 1up8 h GLU 338 CO 0.08 -0.02 0.47 0.00 -0.73 0.00 0.00 179.01 178.81 1up8 h ALA 339 N 1.33 1.18 0.11 2.92 0.00 -1.88 -0.22 119.26 122.71 1up8 h ALA 339 Ca 0.18 0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 1up8 h ALA 339 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1up8 h ALA 339 CO -0.40 0.10 -1.21 1.88 0.00 0.00 0.00 179.25 179.62 1up8 h TYR 340 N 0.79 0.49 -0.83 0.00 -1.99 -1.70 -0.17 116.97 113.57 1up8 h TYR 340 Ca 0.40 -0.35 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1up8 h TYR 340 Cb 0.37 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.03 1up8 h TYR 340 CO -0.06 1.26 0.41 1.25 -0.00 0.00 0.00 178.16 181.02 1up8 h LEU 341 N 0.09 1.07 -0.08 3.88 5.85 -0.75 -0.05 115.31 125.32 1up8 h LEU 341 Ca -0.13 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1up8 h LEU 341 Cb 1.93 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1up8 h LEU 341 CO 0.20 0.89 -0.04 0.78 -0.34 0.00 0.00 178.44 179.94 1up8 h ASN 342 N 1.18 0.17 -0.69 1.25 -0.26 -0.81 0.25 115.58 116.67 1up8 h ASN 342 Ca 0.29 -0.41 0.14 0.00 -0.56 0.00 0.00 56.30 55.76 1up8 h ASN 342 Cb 0.09 -0.05 -0.13 0.00 -1.06 0.00 0.00 38.32 37.18 1up8 h ASN 342 CO -0.04 0.54 -0.15 0.00 -1.06 0.00 0.00 177.43 176.73 1up8 h ALA 343 N 0.64 0.49 -0.56 -0.83 0.00 -0.98 -0.95 119.26 117.07 1up8 h ALA 343 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1up8 h ALA 343 Cb 0.48 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1up8 h ALA 343 CO 0.01 -0.42 0.36 0.00 0.00 0.00 0.00 179.25 179.20 1up8 h LEU 345 N 0.76 0.65 -0.06 0.00 3.38 -0.12 -1.59 115.31 118.33 1up8 h LEU 345 Ca 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1up8 h LEU 345 Cb -0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1up8 h LEU 345 CO -0.04 0.76 0.03 0.40 0.09 0.00 0.00 178.44 179.68 1up8 h ILE 346 N 0.62 1.00 -0.64 1.22 2.04 -0.91 -1.18 117.51 119.66 1up8 h ILE 346 Ca 0.12 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1up8 h ILE 346 Cb 0.48 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1up8 h ILE 346 CO 0.03 0.01 0.25 -0.07 0.00 0.00 0.00 178.15 178.37 1up8 h LEU 347 N 0.06 0.86 0.23 1.44 3.38 -1.06 -1.13 115.31 119.10 1up8 h LEU 347 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1up8 h LEU 347 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1up8 h LEU 347 CO -0.02 0.77 -0.11 -0.07 0.09 0.00 0.00 178.44 179.10 1up8 h LEU 348 N 0.92 -0.26 -1.51 1.67 3.38 -1.24 -1.21 115.31 117.06 1up8 h LEU 348 Ca 0.22 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1up8 h LEU 348 Cb 0.19 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1up8 h LEU 348 CO -0.02 0.10 0.39 0.00 0.09 0.00 0.00 178.44 179.00 1up8 h ALA 349 N -0.02 1.76 -0.00 1.53 0.00 -0.94 -1.51 119.26 120.08 1up8 h ALA 349 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1up8 h ALA 349 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1up8 h ALA 349 CO 0.05 0.16 -0.04 0.09 0.00 0.00 0.00 179.25 179.51 1up8 n ASN 350 N -4.47 0.25 -1.11 0.00 3.02 -0.45 -4.63 115.26 107.86 1up8 n ASN 350 Ca 0.08 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.99 1up8 n ASN 350 Cb 0.19 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1up8 n ASN 350 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1up8 n GLY 351 N 1.22 -0.01 3.70 7.41 0.00 -0.57 -4.98 105.19 111.96 1up8 n GLY 351 Ca 0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1up8 n GLY 351 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1up8 s VAL 352 N -2.50 2.89 0.75 1.61 1.01 -0.48 -4.95 120.40 118.74 1up8 s VAL 352 Ca 0.01 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 1up8 s VAL 352 Cb -0.00 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1up8 s VAL 352 CO 0.01 0.01 1.19 -2.84 0.00 0.00 0.00 175.10 173.48 1up8 s PRO 353 N 2.07 2.02 0.69 2.72 0.02 -1.26 -4.82 135.00 136.45 1up8 s PRO 353 Ca 0.72 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 1up8 s PRO 353 Cb -0.41 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.29 1up8 s PRO 353 CO 0.32 -1.91 1.06 -0.06 -0.33 0.00 0.00 177.00 176.08 1up8 s PHE 354 N -2.12 3.18 -0.31 6.54 2.99 -1.26 -1.34 117.98 125.65 1up8 s PHE 354 Ca 0.72 1.36 -0.43 0.00 0.00 0.00 0.00 56.93 58.58 1up8 s PHE 354 Cb -0.27 -2.89 -0.18 0.00 0.00 0.00 0.00 43.02 39.68 1up8 s PHE 354 CO 0.47 -1.20 1.57 -3.47 -0.00 0.00 0.00 175.22 172.59 1up8 n ASP 355 N -3.10 1.53 0.00 1.36 -0.08 0.55 -3.86 116.55 112.96 1up8 n ASP 355 Ca 0.07 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.57 1up8 n ASP 355 Cb 0.54 -1.00 0.40 0.00 2.34 0.00 0.00 41.12 43.40 1up8 n ASP 355 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1up8 n PRO 356 N 4.07 0.24 -0.01 -0.67 -0.04 -1.26 -2.06 135.00 135.27 1up8 n PRO 356 Ca 0.27 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1up8 n PRO 356 Cb 0.05 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.51 1up8 n PRO 356 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1up8 n ASN 357 N -1.27 1.54 -4.87 3.54 3.02 -1.26 -4.86 115.26 111.09 1up8 n ASN 357 Ca 0.08 -1.53 -0.31 0.00 -0.03 0.00 0.00 54.58 52.79 1up8 n ASN 357 Cb 0.12 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1up8 n ASN 357 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1up8 s LEU 358 N -1.95 3.23 0.60 3.41 1.43 -0.87 -2.71 118.68 121.80 1up8 s LEU 358 Ca 0.37 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.70 1up8 s LEU 358 Cb 0.21 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1up8 s LEU 358 CO 0.33 -0.89 1.02 -2.84 0.23 0.00 0.00 176.35 174.20 1up8 s PRO 359 N -5.17 3.57 -1.21 1.29 0.02 -1.26 -4.28 135.00 127.96 1up8 s PRO 359 Ca 0.55 0.90 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1up8 s PRO 359 Cb -0.11 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1up8 s PRO 359 CO 0.53 -0.59 0.00 1.19 -0.33 0.00 0.00 177.00 177.80 1up8 n PHE 360 N -2.36 -0.05 1.78 6.54 0.99 -1.26 -4.91 117.46 118.19 1up8 n PHE 360 Ca 0.07 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.67 1up8 n PHE 360 Cb 0.54 -2.21 0.77 0.00 -1.00 0.00 0.00 39.48 37.58 1up8 n PHE 360 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1up8 n GLN 361 N -2.61 1.23 -2.23 -1.08 1.13 -1.26 -4.70 117.38 107.86 1up8 n GLN 361 Ca -0.12 -0.37 -0.28 0.00 -1.94 0.00 0.00 57.00 54.29 1up8 n GLN 361 Cb 0.40 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.29 1up8 n GLN 361 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1up8 s GLN 362 N -2.03 3.05 0.19 -1.09 -0.21 -1.26 -5.01 119.66 113.30 1up8 s GLN 362 Ca 0.43 0.23 -0.32 0.00 0.02 0.00 0.00 55.36 55.72 1up8 s GLN 362 Cb 0.22 -2.19 -0.15 0.00 1.00 0.00 0.00 33.01 31.88 1up8 s GLN 362 CO 0.36 -0.72 1.19 -1.91 -2.12 0.00 0.00 175.29 172.10 1up8 n GLU 363 N -2.68 1.31 0.29 2.91 2.13 -1.26 -4.74 120.64 118.61 1up8 n GLU 363 Ca 0.05 0.47 0.15 0.00 0.66 0.00 0.00 57.16 58.48 1up8 n GLU 363 Cb 0.57 -1.98 0.89 0.00 0.27 0.00 0.00 31.44 31.19 1up8 n GLU 363 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1up8 h ASP 364 N 3.40 0.00 0.76 4.31 3.32 -1.95 0.76 116.42 127.03 1up8 h ASP 364 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1up8 h ASP 364 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1up8 h ASP 364 CO 0.70 0.01 0.00 0.07 -1.72 0.00 0.00 179.24 178.30 1up8 h LYS 365 N 0.00 0.00 0.11 3.56 2.10 -1.99 -0.70 116.57 119.66 1up8 h LYS 365 Ca -0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1up8 h LYS 365 Cb 0.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1up8 h LYS 365 CO 0.00 0.00 -1.95 1.28 -2.00 0.00 0.00 179.45 176.78 1up8 n LEU 366 N -2.49 2.58 -0.22 7.07 4.77 0.25 -4.69 117.00 124.28 1up8 n LEU 366 Ca 0.01 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 1up8 n LEU 366 Cb 0.24 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1up8 n LEU 366 CO 0.21 0.81 0.23 -0.90 -1.33 0.00 0.00 177.39 176.41 1up8 n ASP 367 N -3.56 1.21 -1.68 -1.43 5.68 -1.16 -4.99 116.55 110.62 1up8 n ASP 367 Ca -0.32 -1.10 -0.17 0.00 -0.50 0.00 0.00 54.79 52.70 1up8 n ASP 367 Cb 1.02 0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 41.34 1up8 n ASP 367 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1up8 n ASN 368 N -0.17 -4.47 -3.59 -1.12 3.02 -0.27 -4.95 115.26 103.72 1up8 n ASN 368 Ca 0.04 0.34 -0.14 0.00 -0.03 0.00 0.00 54.58 54.79 1up8 n ASN 368 Cb 0.19 -3.98 -0.12 0.00 -0.61 0.00 0.00 39.78 35.25 1up8 n ASN 368 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1up8 s GLN 369 N -3.75 0.19 0.68 3.52 2.00 -1.26 -5.09 119.66 115.96 1up8 s GLN 369 Ca 0.00 0.64 -0.02 0.00 -2.00 0.00 0.00 55.36 53.97 1up8 s GLN 369 Cb 0.00 -0.30 0.09 0.00 0.80 0.00 0.00 33.01 33.61 1up8 s GLN 369 CO 0.00 -0.40 0.96 0.34 -0.50 0.00 0.00 175.29 175.69 1up8 s ASP 370 N 2.43 4.61 0.06 6.67 2.15 -1.26 -4.76 116.67 126.57 1up8 s ASP 370 Ca 0.03 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 52.96 1up8 s ASP 370 Cb -0.13 -0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 42.00 1up8 s ASP 370 CO -0.10 -1.67 -0.10 0.68 -0.17 0.00 0.00 175.17 173.80 1up8 s VAL 371 N -3.10 0.80 0.00 1.11 -7.23 -1.26 -5.05 120.40 105.67 1up8 s VAL 371 Ca 0.63 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1up8 s VAL 371 Cb -0.08 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.98 1up8 s VAL 371 CO 0.43 -0.35 0.00 0.33 -0.31 0.00 0.00 175.10 175.20 1up8 n PHE 372 N 1.27 -0.29 -0.01 2.82 7.35 -1.26 -4.59 117.46 122.75 1up8 n PHE 372 Ca -0.21 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.39 1up8 n PHE 372 Cb 0.55 0.06 -0.03 0.00 0.35 0.00 0.00 39.48 40.41 1up8 n PHE 372 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1up8 h VAL 373 N 0.00 0.60 -3.47 -2.13 2.07 -1.94 -2.61 116.25 108.76 1up8 h VAL 373 Ca 0.00 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.86 1up8 h VAL 373 Cb 0.00 0.60 -0.25 0.00 -1.52 0.00 0.00 31.29 30.12 1up8 h VAL 373 CO 0.00 0.00 -0.74 0.20 0.02 0.00 0.00 177.57 177.05 1up8 s ASN 374 N -5.07 4.21 -0.76 0.57 0.01 -1.26 -3.61 114.94 109.04 1up8 s ASN 374 Ca -0.14 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1up8 s ASN 374 Cb 0.10 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.30 1up8 s ASN 374 CO 0.68 0.22 0.00 0.49 -1.51 0.00 0.00 177.10 176.97 1up8 n PHE 375 N 3.19 0.00 -3.14 2.20 0.99 -1.26 -4.83 117.46 114.61 1up8 n PHE 375 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 1up8 n PHE 375 Cb 0.53 -1.83 0.00 0.00 -1.00 0.00 0.00 39.48 37.17 1up8 n PHE 375 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1up8 n GLY 376 N -1.05 6.11 0.22 1.37 0.00 -1.19 -4.70 105.19 105.96 1up8 n GLY 376 Ca -0.07 -1.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 1up8 n GLY 376 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1up8 h SER 377 N 0.00 0.58 -0.67 1.61 4.64 -1.81 -2.36 113.55 115.54 1up8 h SER 377 Ca 0.00 -0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1up8 h SER 377 Cb 0.00 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 61.88 1up8 h SER 377 CO 0.00 0.41 0.27 0.00 -0.87 0.00 0.00 176.83 176.64 1up8 h ALA 378 N 1.23 0.89 0.12 5.18 0.00 -1.79 -1.43 119.26 123.46 1up8 h ALA 378 Ca 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1up8 h ALA 378 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1up8 h ALA 378 CO -0.08 -0.16 -0.06 1.25 0.00 0.00 0.00 179.25 180.21 1up8 h HIS 379 N 0.46 -0.15 -0.19 0.00 6.17 -1.19 -2.22 115.15 118.04 1up8 h HIS 379 Ca 0.34 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.34 1up8 h HIS 379 Cb 0.43 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.39 1up8 h HIS 379 CO -0.15 0.03 -0.23 -0.24 0.71 0.00 0.00 177.93 178.04 1up8 h VAL 380 N -0.30 1.24 -0.12 5.26 3.04 -1.27 -1.33 116.25 122.78 1up8 h VAL 380 Ca -0.02 -1.14 -0.09 0.00 -1.01 0.00 0.00 66.70 64.45 1up8 h VAL 380 Cb 0.24 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1up8 h VAL 380 CO 0.03 0.35 -0.33 -0.07 -1.01 0.00 0.00 177.57 176.54 1up8 h LEU 381 N 0.30 0.23 0.15 3.16 3.38 -1.07 -1.01 115.31 120.46 1up8 h LEU 381 Ca 0.05 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 1up8 h LEU 381 Cb 0.58 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.29 1up8 h LEU 381 CO 0.04 0.55 -0.96 0.28 0.09 0.00 0.00 178.44 178.44 1up8 h SER 382 N 0.20 0.51 -0.47 -0.43 0.02 -1.11 -3.30 113.55 108.97 1up8 h SER 382 Ca 0.03 -0.94 -0.03 0.00 -0.84 0.00 0.00 61.79 60.01 1up8 h SER 382 Cb 0.69 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1up8 h SER 382 CO 0.05 1.46 0.19 0.25 -1.14 0.00 0.00 176.83 177.64 1up8 h LEU 383 N -0.30 0.65 -1.64 5.07 5.85 -1.14 -0.47 115.31 123.33 1up8 h LEU 383 Ca -0.17 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1up8 h LEU 383 Cb 1.72 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 1up8 h LEU 383 CO 0.16 0.64 0.21 1.62 -0.34 0.00 0.00 178.44 180.72 1up8 h VAL 384 N 0.62 1.10 0.22 1.05 3.04 -1.33 -2.98 116.25 117.97 1up8 h VAL 384 Ca 0.16 -0.21 -0.35 0.00 -1.01 0.00 0.00 66.70 65.30 1up8 h VAL 384 Cb 0.19 0.61 0.02 0.00 -2.01 0.00 0.00 31.29 30.11 1up8 h VAL 384 CO -0.01 0.10 -1.63 0.71 -1.01 0.00 0.00 177.57 175.73 1up8 h THR 385 N 0.46 1.10 0.00 3.17 1.35 -1.57 -3.39 112.91 114.03 1up8 h THR 385 Ca 0.12 -2.60 -0.04 0.00 -0.55 0.00 0.00 66.41 63.33 1up8 h THR 385 Cb -0.03 2.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 1up8 h THR 385 CO -0.02 0.84 -0.21 1.05 -0.25 0.00 0.00 175.52 176.92 1up8 h GLU 386 N 0.13 0.00 0.00 4.72 4.11 -0.93 -2.99 114.58 119.61 1up8 h GLU 386 Ca -0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 1up8 h GLU 386 Cb 2.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.39 1up8 h GLU 386 CO 0.23 0.21 -0.01 -0.39 0.07 0.00 0.00 179.01 179.12 1up8 h VAL 387 N 0.00 0.02 0.16 -1.06 -1.51 -1.74 -3.35 116.25 108.77 1up8 h VAL 387 Ca -0.00 -0.52 0.01 0.00 -1.23 0.00 0.00 66.70 64.95 1up8 h VAL 387 Cb 0.52 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 1up8 h VAL 387 CO 0.03 0.01 -0.23 0.00 -1.23 0.00 0.00 177.57 176.15 1up8 h ALA 388 N 1.99 -0.41 -0.08 5.19 0.00 -1.77 -0.76 119.26 123.42 1up8 h ALA 388 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1up8 h ALA 388 Cb 0.51 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1up8 h ALA 388 CO 0.00 -0.77 -0.49 1.79 0.00 0.00 0.00 179.25 179.78 1up8 h THR 389 N -0.45 1.35 -0.70 0.00 1.35 -1.80 -0.30 112.91 112.36 1up8 h THR 389 Ca 0.02 -1.72 -0.04 0.00 -0.55 0.00 0.00 66.41 64.12 1up8 h THR 389 Cb 0.45 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 1up8 h THR 389 CO -0.10 0.51 0.30 0.03 -0.25 0.00 0.00 175.52 176.01 1up8 h ARG 390 N 0.16 1.03 -0.70 4.72 -0.00 -1.69 -1.80 114.38 116.11 1up8 h ARG 390 Ca 0.01 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.98 59.25 1up8 h ARG 390 Cb 0.93 -0.17 -0.03 0.00 0.00 0.00 0.00 29.97 30.70 1up8 h ARG 390 CO 0.07 0.84 0.18 0.00 0.00 0.00 0.00 179.97 181.06 1up8 h ALA 391 N 1.14 0.92 -0.66 0.04 0.00 -0.60 -3.12 119.26 116.97 1up8 h ALA 391 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1up8 h ALA 391 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1up8 h ALA 391 CO -0.02 0.63 0.24 -0.07 0.00 0.00 0.00 179.25 180.02 1up8 h LEU 392 N 1.04 0.91 -0.49 0.00 3.38 -0.79 -2.20 115.31 117.16 1up8 h LEU 392 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1up8 h LEU 392 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1up8 h LEU 392 CO 0.00 0.83 0.25 0.11 0.09 0.00 0.00 178.44 179.72 1up8 h LYS 393 N 0.96 0.69 -0.17 1.13 1.57 -1.27 0.19 116.57 119.67 1up8 h LYS 393 Ca 0.22 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1up8 h LYS 393 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1up8 h LYS 393 CO -0.01 0.56 0.08 0.00 -0.57 0.00 0.00 179.45 179.51 1up8 h ALA 394 N 1.09 0.21 -0.02 3.86 0.00 -1.48 -2.29 119.26 120.63 1up8 h ALA 394 Ca 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1up8 h ALA 394 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1up8 h ALA 394 CO -0.02 -0.24 -0.41 -0.24 0.00 0.00 0.00 179.25 178.34 1up8 h VAL 395 N 0.15 1.30 -0.75 0.00 3.04 -1.23 -2.64 116.25 116.12 1up8 h VAL 395 Ca 0.06 -1.43 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 1up8 h VAL 395 Cb 0.10 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 1up8 h VAL 395 CO -0.01 0.41 0.34 0.03 -1.01 0.00 0.00 177.57 177.33 1up8 h ARG 396 N 0.04 1.08 -0.43 4.17 2.47 -0.69 0.17 114.38 121.19 1up8 h ARG 396 Ca 0.00 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 1up8 h ARG 396 Cb 0.74 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1up8 h ARG 396 CO 0.05 0.85 0.22 -0.92 0.56 0.00 0.00 179.97 180.73 1up8 h TYR 397 N 1.07 0.60 -0.15 3.04 3.20 -1.09 -1.82 116.97 121.82 1up8 h TYR 397 Ca 0.26 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1up8 h TYR 397 Cb 0.14 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1up8 h TYR 397 CO 0.01 0.47 0.08 1.96 -1.64 0.00 0.00 178.16 179.04 1up8 h GLN 398 N 0.55 0.22 0.27 1.82 1.08 -1.16 -1.51 115.11 116.38 1up8 h GLN 398 Ca 0.15 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1up8 h GLN 398 Cb 0.09 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1up8 h GLN 398 CO -0.02 0.25 -0.31 0.87 -0.95 0.00 0.00 178.83 178.67 1up8 h LYS 399 N 0.13 -0.60 0.00 1.46 1.57 -0.49 -1.19 116.57 117.44 1up8 h LYS 399 Ca 0.05 0.04 -0.44 0.00 -1.87 0.00 0.00 60.65 58.43 1up8 h LYS 399 Cb 0.10 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1up8 h LYS 399 CO -0.01 -0.40 -2.42 1.19 -0.57 0.00 0.00 179.45 177.24 1up8 n PHE 400 N -5.42 0.10 0.11 -1.35 3.01 -0.70 -1.24 117.46 111.96 1up8 n PHE 400 Ca -0.09 0.04 -0.04 0.00 1.01 0.00 0.00 57.45 58.37 1up8 n PHE 400 Cb 0.33 -1.00 0.08 0.00 -0.01 0.00 0.00 39.48 38.88 1up8 n PHE 400 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1up8 h ASN 401 N -1.00 0.08 0.00 4.37 4.21 -1.45 -3.42 115.58 118.37 1up8 h ASN 401 Ca -0.67 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 56.78 1up8 h ASN 401 Cb 1.58 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.76 1up8 h ASN 401 CO -0.40 0.78 -0.23 -0.38 -1.29 0.00 0.00 177.43 175.91 1up8 n ILE 402 N -3.71 0.38 -0.06 2.81 2.08 -0.70 -4.97 119.36 115.20 1up8 n ILE 402 Ca -0.02 0.38 -0.18 0.00 0.56 0.00 0.00 62.75 63.49 1up8 n ILE 402 Cb 0.71 -1.66 -0.13 0.00 -0.75 0.00 0.00 39.64 37.80 1up8 n ILE 402 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1up8 n HIS 403 N -2.98 0.61 -4.12 1.39 8.25 -0.45 -4.85 115.22 113.07 1up8 n HIS 403 Ca -0.03 0.14 -0.29 0.00 -0.26 0.00 0.00 57.72 57.28 1up8 n HIS 403 Cb 0.12 -1.08 -0.05 0.00 1.12 0.00 0.00 29.99 30.09 1up8 n HIS 403 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1up8 n ARG 404 N -3.31 -2.09 -2.48 -0.41 1.74 -0.38 -4.91 116.66 104.81 1up8 n ARG 404 Ca -0.37 0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.55 1up8 n ARG 404 Cb 1.03 -4.03 -0.04 0.00 -1.02 0.00 0.00 32.46 28.40 1up8 n ARG 404 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1up8 s ARG 405 N -6.95 4.56 0.44 5.56 3.52 -1.26 -1.27 118.95 123.56 1up8 s ARG 405 Ca 0.02 1.75 -0.26 0.00 -0.13 0.00 0.00 55.73 57.11 1up8 s ARG 405 Cb -0.01 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 30.02 1up8 s ARG 405 CO 0.94 0.02 1.45 -0.48 -0.81 0.00 0.00 175.30 176.42 1up8 s LEU 406 N -0.26 4.14 0.68 -0.88 2.34 -0.94 -2.02 118.68 121.74 1up8 s LEU 406 Ca 0.50 2.96 -0.14 0.00 0.06 0.00 0.00 54.13 57.52 1up8 s LEU 406 Cb -0.30 -3.90 0.01 0.00 -0.56 0.00 0.00 46.19 41.44 1up8 s LEU 406 CO 0.35 -1.16 1.10 -0.13 -1.06 0.00 0.00 176.35 175.45 1up8 s ARG 407 N -2.41 2.73 0.37 1.48 1.81 -1.26 -4.63 118.95 117.03 1up8 s ARG 407 Ca 0.60 1.31 0.12 0.00 -1.72 0.00 0.00 55.73 56.04 1up8 s ARG 407 Cb -0.45 -1.95 0.91 0.00 -0.45 0.00 0.00 34.95 33.01 1up8 s ARG 407 CO 0.58 -1.29 1.85 -1.35 -0.68 0.00 0.00 175.30 174.40 1up8 h PRO 408 N -0.21 0.58 -0.99 3.54 0.11 -1.82 -1.66 132.00 131.55 1up8 h PRO 408 Ca -0.46 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1up8 h PRO 408 Cb 1.24 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1up8 h PRO 408 CO 0.54 0.38 0.62 1.05 -0.21 0.00 0.00 178.00 180.38 1up8 h GLU 409 N 0.59 1.00 -0.50 1.05 4.11 -1.92 0.20 114.58 119.11 1up8 h GLU 409 Ca 0.48 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.77 1up8 h GLU 409 Cb 0.93 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1up8 h GLU 409 CO -0.23 0.66 -0.01 0.00 0.07 0.00 0.00 179.01 179.50 1up8 h ALA 410 N 1.51 1.03 -0.35 1.06 0.00 -1.67 -0.78 119.26 120.05 1up8 h ALA 410 Ca 0.47 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1up8 h ALA 410 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1up8 h ALA 410 CO -0.24 0.60 -0.09 1.15 0.00 0.00 0.00 179.25 180.67 1up8 h THR 411 N 0.79 1.28 -0.99 0.00 2.02 -0.92 -2.33 112.91 112.75 1up8 h THR 411 Ca 0.15 -1.16 0.10 0.00 0.77 0.00 0.00 66.41 66.27 1up8 h THR 411 Cb 0.49 1.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 1up8 h THR 411 CO 0.02 0.38 0.63 1.23 0.37 0.00 0.00 175.52 178.15 1up8 h GLY 412 N 0.48 1.58 1.01 2.16 0.00 -0.79 -1.66 103.07 105.84 1up8 h GLY 412 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1up8 h GLY 412 CO 0.04 0.22 0.41 -1.33 0.00 0.00 0.00 176.54 175.88 1up8 h GLY 413 N 1.05 1.14 1.01 4.60 0.00 -0.83 -1.16 103.07 108.87 1up8 h GLY 413 Ca 0.47 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1up8 h GLY 413 CO -0.23 0.50 0.18 1.41 0.00 0.00 0.00 176.54 178.40 1up8 h LEU 414 N 1.06 0.89 -0.41 3.11 3.38 -1.08 -1.93 115.31 120.33 1up8 h LEU 414 Ca 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1up8 h LEU 414 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1up8 h LEU 414 CO -0.04 0.86 0.20 0.40 0.09 0.00 0.00 178.44 179.95 1up8 h ILE 415 N 0.86 1.17 -0.19 1.22 2.04 -1.10 -1.66 117.51 119.86 1up8 h ILE 415 Ca 0.19 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1up8 h ILE 415 Cb 0.30 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1up8 h ILE 415 CO -0.00 0.18 -0.00 -1.28 0.00 0.00 0.00 178.15 177.05 1up8 h SER 416 N 0.52 0.33 -0.19 1.72 0.87 -1.12 -1.58 113.55 114.10 1up8 h SER 416 Ca 0.14 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1up8 h SER 416 Cb 0.11 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1up8 h SER 416 CO -0.02 0.56 0.12 0.58 -0.53 0.00 0.00 176.83 177.54 1up8 h VAL 417 N 0.09 1.07 -0.02 2.23 2.07 -1.34 -1.63 116.25 118.72 1up8 h VAL 417 Ca 0.05 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1up8 h VAL 417 Cb 0.39 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1up8 h VAL 417 CO 0.01 0.06 -0.25 -1.13 0.02 0.00 0.00 177.57 176.28 1up8 h ASN 418 N 0.24 -0.76 -0.25 0.57 -0.73 -1.27 -1.60 115.58 111.78 1up8 h ASN 418 Ca 0.07 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 1up8 h ASN 418 Cb -0.00 0.31 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1up8 h ASN 418 CO -0.01 -0.32 0.13 0.50 -0.37 0.00 0.00 177.43 177.36 1up8 h LYS 419 N -0.38 0.36 -0.58 6.67 3.64 -1.19 -0.98 116.57 124.11 1up8 h LYS 419 Ca 0.07 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1up8 h LYS 419 Cb 0.48 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1up8 h LYS 419 CO -0.24 0.34 0.38 0.82 -2.27 0.00 0.00 179.45 178.48 1up8 h ILE 420 N 0.29 1.15 -0.05 2.00 2.04 -1.21 -2.29 117.51 119.43 1up8 h ILE 420 Ca 0.09 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 1up8 h ILE 420 Cb 0.09 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1up8 h ILE 420 CO -0.01 0.15 -0.38 0.00 0.00 0.00 0.00 178.15 177.90 1up8 h ALA 421 N 1.21 1.27 -0.02 1.87 0.00 -1.15 -2.94 119.26 119.49 1up8 h ALA 421 Ca 0.21 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1up8 h ALA 421 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1up8 h ALA 421 CO -0.05 0.52 -0.48 0.00 0.00 0.00 0.00 179.25 179.24 1up8 h ALA 422 N 1.53 1.17 0.00 0.00 0.00 -0.64 0.15 119.26 121.47 1up8 h ALA 422 Ca 0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1up8 h ALA 422 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1up8 h ALA 422 CO 0.05 0.61 -0.39 1.96 0.00 0.00 0.00 179.25 181.48 1up8 h GLN 423 N 0.04 0.00 -0.69 0.00 4.20 -1.27 -2.01 115.11 115.38 1up8 h GLN 423 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1up8 h GLN 423 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1up8 h GLN 423 CO 0.06 0.39 0.00 1.63 -0.67 0.00 0.00 178.83 180.25 1up8 n LYS 424 N -3.89 3.12 -2.15 1.46 4.01 -0.70 -4.92 118.16 115.09 1up8 n LYS 424 Ca -0.01 -1.86 -0.18 0.00 -0.51 0.00 0.00 58.31 55.75 1up8 n LYS 424 Cb 0.45 -1.85 -0.02 0.00 -0.51 0.00 0.00 35.03 33.09 1up8 n LYS 424 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1up8 n GLY 425 N 0.54 0.14 3.45 0.72 0.00 -0.75 -5.03 105.19 104.25 1up8 n GLY 425 Ca 0.16 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1up8 n GLY 425 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1up8 s GLU 426 N -4.57 1.60 -0.24 1.61 -1.05 0.46 -4.98 118.70 111.53 1up8 s GLU 426 Ca 0.00 -1.65 -0.06 0.00 -0.15 0.00 0.00 54.97 53.11 1up8 s GLU 426 Cb 0.00 -1.80 -0.02 0.00 -0.44 0.00 0.00 34.13 31.87 1up8 s GLU 426 CO 0.00 0.36 0.02 0.45 0.95 0.00 0.00 175.26 177.04 1up8 s SER 427 N -3.10 4.77 -0.00 0.83 0.15 -1.26 -2.74 113.70 112.33 1up8 s SER 427 Ca 0.25 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1up8 s SER 427 Cb -0.06 -1.84 -0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1up8 s SER 427 CO 0.12 -0.03 -0.04 -0.51 1.20 0.00 0.00 173.24 173.99 1up8 s ILE 428 N 1.55 0.29 -1.02 6.45 2.07 -1.26 -4.90 121.20 124.38 1up8 s ILE 428 Ca 0.06 -0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.03 1up8 s ILE 428 Cb -0.15 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1up8 s ILE 428 CO 0.01 0.09 0.80 0.49 -1.91 0.00 0.00 174.94 174.41 1up8 n PHE 429 N 3.02 -2.25 0.31 3.50 0.99 -1.26 -4.15 117.46 117.63 1up8 n PHE 429 Ca -0.13 0.70 0.18 0.00 -0.00 0.00 0.00 57.45 58.21 1up8 n PHE 429 Cb 0.58 -3.68 1.04 0.00 -1.00 0.00 0.00 39.48 36.43 1up8 n PHE 429 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1up8 h PRO 430 N -1.16 0.00 -0.80 -1.08 0.13 -1.98 -2.62 132.00 124.49 1up8 h PRO 430 Ca -0.54 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.81 1up8 h PRO 430 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1up8 h PRO 430 CO 0.43 0.01 0.57 0.93 -0.23 0.00 0.00 178.00 179.70 1up8 h GLU 431 N 0.00 0.06 -0.48 0.86 3.07 -1.97 0.41 114.58 116.52 1up8 h GLU 431 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1up8 h GLU 431 Cb 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1up8 h GLU 431 CO 0.00 0.04 0.00 1.33 -1.40 0.00 0.00 179.01 178.98 1up8 n VAL 432 N -4.33 2.06 -0.14 3.13 0.24 -0.99 -3.99 118.33 114.31 1up8 n VAL 432 Ca 0.16 -1.41 0.16 0.00 -2.04 0.00 0.00 64.34 61.21 1up8 n VAL 432 Cb 0.83 -0.02 0.53 0.00 -1.47 0.00 0.00 33.84 33.71 1up8 n VAL 432 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1up8 h ASP 433 N 3.16 0.34 -0.02 -1.34 3.32 -1.05 -2.16 116.42 118.67 1up8 h ASP 433 Ca 0.00 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.81 1up8 h ASP 433 Cb 1.47 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 40.99 1up8 h ASP 433 CO 0.26 0.18 -0.97 0.25 -1.72 0.00 0.00 179.24 177.24 1up8 h LEU 434 N 0.36 0.90 -0.18 1.55 5.85 -1.81 -1.98 115.31 120.00 1up8 h LEU 434 Ca 0.35 -0.68 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1up8 h LEU 434 Cb 0.85 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1up8 h LEU 434 CO -0.10 1.49 0.09 0.00 -0.34 0.00 0.00 178.44 179.58 1up8 h ALA 435 N 0.47 0.23 -0.94 1.25 0.00 -1.78 -2.18 119.26 116.30 1up8 h ALA 435 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1up8 h ALA 435 Cb 1.61 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1up8 h ALA 435 CO 0.19 -0.23 0.59 0.28 0.00 0.00 0.00 179.25 180.08 1up8 h VAL 436 N 0.18 1.25 -0.43 0.00 2.07 -1.39 -1.63 116.25 116.30 1up8 h VAL 436 Ca 0.06 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1up8 h VAL 436 Cb 0.08 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1up8 h VAL 436 CO -0.01 0.25 -0.22 -0.08 0.02 0.00 0.00 177.57 177.53 1up8 h GLU 437 N 1.29 0.86 0.00 1.57 4.81 -1.26 -3.33 114.58 118.52 1up8 h GLU 437 Ca 0.34 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1up8 h GLU 437 Cb -0.10 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1up8 h GLU 437 CO -0.07 1.00 -1.39 0.39 -0.73 0.00 0.00 179.01 178.21 1up8 n GLU 438 N -4.11 0.55 -0.96 1.92 1.02 -0.83 -4.20 120.64 114.03 1up8 n GLU 438 Ca 0.00 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 1up8 n GLU 438 Cb 0.45 -1.65 0.21 0.00 -0.02 0.00 0.00 31.44 30.42 1up8 n GLU 438 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1up8 n LEU 439 N -2.34 5.31 -0.28 -4.62 4.77 -0.64 -4.78 117.00 114.42 1up8 n LEU 439 Ca -0.01 -3.59 -0.03 0.00 -0.03 0.00 0.00 56.01 52.35 1up8 n LEU 439 Cb 0.53 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1up8 n LEU 439 CO 0.42 1.08 0.61 1.23 -1.33 0.00 0.00 177.39 179.41 1up8 h GLY 440 N 1.28 -0.03 1.03 -0.72 0.00 -1.73 -0.70 103.07 102.20 1up8 h GLY 440 Ca 0.36 0.48 -0.11 0.00 0.00 0.00 0.00 47.33 48.06 1up8 h GLY 440 CO 0.68 -0.20 -0.16 -0.55 0.00 0.00 0.00 176.54 176.30 1up8 h ASP 441 N -0.09 0.87 -0.35 0.19 3.32 -1.95 -1.40 116.42 117.02 1up8 h ASP 441 Ca 0.28 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1up8 h ASP 441 Cb 0.57 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1up8 h ASP 441 CO -0.82 1.07 0.16 0.40 -1.72 0.00 0.00 179.24 178.32 1up8 h ILE 442 N 0.67 1.17 -0.31 0.35 2.04 -1.88 -2.71 117.51 116.85 1up8 h ILE 442 Ca 0.10 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1up8 h ILE 442 Cb 0.72 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1up8 h ILE 442 CO 0.05 0.18 -0.08 -0.07 0.00 0.00 0.00 178.15 178.23 1up8 h LEU 443 N 0.42 0.48 -0.42 1.44 3.38 -0.96 -1.12 115.31 118.54 1up8 h LEU 443 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1up8 h LEU 443 Cb 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1up8 h LEU 443 CO -0.01 0.61 0.24 -0.08 0.09 0.00 0.00 178.44 179.29 1up8 h GLU 444 N 0.47 0.57 -0.57 1.13 4.57 -1.20 0.60 114.58 120.16 1up8 h GLU 444 Ca 0.09 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1up8 h GLU 444 Cb 0.44 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1up8 h GLU 444 CO 0.02 0.44 0.36 0.87 -1.18 0.00 0.00 179.01 179.52 1up8 h LYS 445 N 0.54 0.76 -0.59 1.92 1.57 -1.13 -2.52 116.57 117.12 1up8 h LYS 445 Ca 0.15 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1up8 h LYS 445 Cb 0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1up8 h LYS 445 CO -0.03 0.52 -0.01 0.00 -0.57 0.00 0.00 179.45 179.36 1up8 h ALA 446 N 1.61 0.79 -0.37 3.86 0.00 -0.61 -1.92 119.26 122.62 1up8 h ALA 446 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1up8 h ALA 446 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1up8 h ALA 446 CO -0.04 0.64 0.24 1.49 0.00 0.00 0.00 179.25 181.58 1up8 h GLU 447 N 0.94 0.50 -0.46 0.00 4.81 -0.58 0.35 114.58 120.14 1up8 h GLU 447 Ca 0.16 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1up8 h GLU 447 Cb 0.57 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1up8 h GLU 447 CO 0.03 0.35 0.22 0.82 -0.73 0.00 0.00 179.01 179.71 1up8 h ILE 448 N 0.50 1.18 0.13 2.32 2.04 -1.41 -0.68 117.51 121.59 1up8 h ILE 448 Ca 0.14 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1up8 h ILE 448 Cb -0.03 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1up8 h ILE 448 CO -0.03 0.20 -0.06 -1.28 0.00 0.00 0.00 178.15 176.98 1up8 h SER 449 N 0.59 -0.14 -0.95 1.72 0.87 -0.95 -2.64 113.55 112.04 1up8 h SER 449 Ca 0.16 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1up8 h SER 449 Cb 0.11 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 1up8 h SER 449 CO -0.02 -0.04 0.62 0.78 -0.53 0.00 0.00 176.83 177.65 1up8 h ASN 450 N -0.24 1.01 -0.59 6.23 2.35 -0.18 -2.05 115.58 122.13 1up8 h ASN 450 Ca -0.02 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1up8 h ASN 450 Cb 0.19 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 1up8 h ASN 450 CO 0.03 0.68 0.33 -0.09 -1.65 0.00 0.00 177.43 176.73 1up8 h ARG 451 N 1.17 0.62 -0.52 0.81 2.43 -1.01 -0.47 114.38 117.40 1up8 h ARG 451 Ca 0.39 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1up8 h ARG 451 Cb 0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1up8 h ARG 451 CO -0.13 0.41 0.29 -0.22 -1.51 0.00 0.00 179.97 178.81 1up8 h LYS 452 N 0.64 0.73 -0.55 0.20 3.11 -1.02 -1.91 116.57 117.77 1up8 h LYS 452 Ca 0.25 -0.08 -0.11 0.00 -2.81 0.00 0.00 60.65 57.90 1up8 h LYS 452 Cb 0.10 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 1up8 h LYS 452 CO -0.14 0.56 -0.09 0.37 -2.81 0.00 0.00 179.45 177.34 1up8 h GLN 453 N 0.70 1.03 -0.26 1.90 5.75 -1.08 -1.88 115.11 121.27 1up8 h GLN 453 Ca 0.18 -0.38 -0.14 0.00 -0.15 0.00 0.00 58.65 58.17 1up8 h GLN 453 Cb 0.04 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1up8 h GLN 453 CO -0.03 1.07 -0.41 -0.91 -2.65 0.00 0.00 178.83 175.90 1up8 h ASN 454 N 0.91 0.67 0.10 -0.69 2.35 -0.82 0.21 115.58 118.31 1up8 h ASN 454 Ca 0.14 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1up8 h ASN 454 Cb 0.66 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1up8 h ASN 454 CO 0.05 1.00 -0.05 0.40 -1.65 0.00 0.00 177.43 177.18 1up8 h ILE 455 N 0.51 0.95 -0.98 2.81 2.04 -1.32 -2.31 117.51 119.21 1up8 h ILE 455 Ca 0.04 -0.18 0.14 0.00 1.00 0.00 0.00 64.86 65.86 1up8 h ILE 455 Cb 0.93 1.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.00 1up8 h ILE 455 CO 0.08 0.04 0.62 0.00 0.00 0.00 0.00 178.15 178.90 1up8 h ALA 456 N 0.68 1.62 0.00 1.87 0.00 -1.04 -0.91 119.26 121.48 1up8 h ALA 456 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1up8 h ALA 456 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1up8 h ALA 456 CO 0.02 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1up8 n ASP 457 N -4.63 0.00 0.00 0.00 10.43 0.04 -4.87 116.55 117.52 1up8 n ASP 457 Ca 0.19 0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.76 1up8 n ASP 457 Cb 0.42 -0.36 0.00 0.00 1.84 0.00 0.00 41.12 43.02 1up8 n ASP 457 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1up8 n GLY 458 N 0.14 1.40 3.27 0.44 0.00 -0.35 -5.08 105.19 105.01 1up8 n GLY 458 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1up8 n GLY 458 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1up8 s ASP 459 N -2.00 5.56 0.32 1.61 3.68 -0.89 -5.00 116.67 119.96 1up8 s ASP 459 Ca 0.00 -1.44 0.13 0.00 2.13 0.00 0.00 52.55 53.37 1up8 s ASP 459 Cb 0.00 -1.96 0.54 0.00 -1.45 0.00 0.00 42.92 40.05 1up8 s ASP 459 CO 0.00 -0.49 1.70 -0.65 0.13 0.00 0.00 175.17 175.86 1up8 h PRO 460 N 8.35 0.00 -2.73 4.34 0.11 -1.86 -3.25 132.00 136.97 1up8 h PRO 460 Ca -0.22 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.29 1up8 h PRO 460 Cb 1.08 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.80 1up8 h PRO 460 CO 0.72 0.50 -0.81 0.34 -0.21 0.00 0.00 178.00 178.54 1up8 s ASP 461 N -6.78 3.18 0.42 -2.05 2.15 -1.26 -4.96 116.67 107.37 1up8 s ASP 461 Ca -0.01 -2.38 -0.20 0.00 0.43 0.00 0.00 52.55 50.39 1up8 s ASP 461 Cb 0.13 -0.63 -0.11 0.00 -0.30 0.00 0.00 42.92 42.01 1up8 s ASP 461 CO 0.73 -0.29 0.92 -2.84 -0.17 0.00 0.00 175.17 173.53 1up8 s PRO 462 N 0.77 4.18 0.49 4.34 0.02 -1.26 -5.04 135.00 138.50 1up8 s PRO 462 Ca 0.18 1.05 -0.24 0.00 0.02 0.00 0.00 61.00 62.01 1up8 s PRO 462 Cb -0.23 -2.21 -0.07 0.00 0.02 0.00 0.00 34.50 32.01 1up8 s PRO 462 CO 0.00 -0.02 1.34 -0.25 -0.33 0.00 0.00 177.00 177.74 1up8 n ASP 463 N -0.67 2.77 -4.61 2.53 8.00 -1.26 -4.97 116.55 118.34 1up8 n ASP 463 Ca 0.06 1.05 -0.41 0.00 0.71 0.00 0.00 54.79 56.20 1up8 n ASP 463 Cb 0.54 -1.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.09 1up8 n ASP 463 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1up8 n PRO 464 N -0.48 1.35 -3.70 -0.24 -0.02 -1.26 -4.94 135.00 125.70 1up8 n PRO 464 Ca 0.08 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1up8 n PRO 464 Cb 0.42 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1up8 n PRO 464 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1up8 s SER 465 N -0.74 -0.46 -0.24 2.55 0.15 -1.26 -5.02 113.70 108.69 1up8 s SER 465 Ca 0.63 0.81 0.12 0.00 0.70 0.00 0.00 55.95 58.22 1up8 s SER 465 Cb -0.56 0.70 0.49 0.00 -1.71 0.00 0.00 66.02 64.94 1up8 s SER 465 CO 0.57 -0.19 1.41 0.49 1.20 0.00 0.00 173.24 176.72 1up8 n PHE 466 N 4.20 0.90 -2.33 3.44 3.01 -1.26 -4.06 117.46 121.36 1up8 n PHE 466 Ca -0.23 -1.31 -0.37 0.00 1.01 0.00 0.00 57.45 56.55 1up8 n PHE 466 Cb 0.55 -0.39 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 1up8 n PHE 466 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1up8 s LEU 467 N -3.08 4.05 -0.33 4.37 1.43 -1.26 -4.49 118.68 119.37 1up8 s LEU 467 Ca 0.42 2.24 -0.28 0.00 -1.03 0.00 0.00 54.13 55.48 1up8 s LEU 467 Cb 0.37 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1up8 s LEU 467 CO 0.03 -0.81 1.83 -0.22 0.23 0.00 0.00 176.35 177.41 1up8 s LEU 468 N -2.92 3.50 0.27 1.79 2.96 -1.26 -4.97 118.68 118.04 1up8 s LEU 468 Ca 0.62 1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 55.56 1up8 s LEU 468 Cb -0.27 -3.49 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1up8 s LEU 468 CO 0.33 -1.74 1.55 -2.84 -1.32 0.00 0.00 176.35 172.34 1up8 s PRO 469 N 5.73 4.17 -0.05 0.98 0.02 -1.26 -4.90 135.00 139.70 1up8 s PRO 469 Ca 0.81 2.48 -0.08 0.00 0.02 0.00 0.00 61.00 64.23 1up8 s PRO 469 Cb -0.23 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 1up8 s PRO 469 CO 0.33 -0.58 0.24 -1.64 -0.33 0.00 0.00 177.00 175.03 1up8 s MET 470 N -0.25 3.58 0.40 5.54 -1.94 -0.64 -4.84 119.30 121.14 1up8 s MET 470 Ca 0.63 -0.02 0.21 0.00 -1.71 0.00 0.00 55.69 54.80 1up8 s MET 470 Cb -0.46 -3.15 0.78 0.00 2.01 0.00 0.00 34.83 34.01 1up8 s MET 470 CO 0.44 0.71 1.78 0.00 -0.01 0.00 0.00 175.02 177.94 1up8 h ALA 471 N 4.53 1.02 -3.95 3.03 0.00 -1.72 0.90 119.26 123.07 1up8 h ALA 471 Ca -0.52 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 53.41 1up8 h ALA 471 Cb 1.21 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 1up8 h ALA 471 CO 0.62 0.40 -0.76 -0.06 0.00 0.00 0.00 179.25 179.45 1up8 s PHE 472 N -3.65 2.74 0.29 0.00 2.99 -1.26 -4.83 117.98 114.25 1up8 s PHE 472 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 56.93 56.80 1up8 s PHE 472 Cb 0.11 -1.63 0.50 0.00 0.00 0.00 0.00 43.02 42.00 1up8 s PHE 472 CO 0.67 0.22 1.91 0.00 -0.00 0.00 0.00 175.22 178.02 1up8 h ALA 473 N 5.23 1.49 -0.01 5.36 0.00 -1.86 -1.05 119.26 128.41 1up8 h ALA 473 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1up8 h ALA 473 Cb 1.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1up8 h ALA 473 CO 0.51 0.38 -0.12 -0.85 0.00 0.00 0.00 179.25 179.17 1up8 n GLU 474 N -4.48 0.94 0.00 0.00 0.00 -1.26 -4.67 120.64 111.17 1up8 n GLU 474 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 56.87 1up8 n GLU 474 Cb 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.13 1up8 n GLU 474 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1up8 n GLY 475 N 1.25 2.74 3.73 -1.84 0.00 -0.40 -4.83 105.19 105.85 1up8 n GLY 475 Ca 0.15 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1up8 n GLY 475 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1up8 s SER 476 N -4.00 4.10 1.00 1.61 1.04 -1.26 -4.81 113.70 111.38 1up8 s SER 476 Ca 0.00 2.07 -0.11 0.00 0.48 0.00 0.00 55.95 58.39 1up8 s SER 476 Cb 0.00 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.75 1up8 s SER 476 CO 0.00 -2.31 1.04 -2.65 0.98 0.00 0.00 173.24 170.30 1up8 n PRO 477 N -3.35 -1.05 -1.49 4.02 -0.02 -1.26 -4.90 135.00 126.94 1up8 n PRO 477 Ca 0.11 -0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 60.94 1up8 n PRO 477 Cb 0.52 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1up8 n PRO 477 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1up8 n PHE 478 N -4.44 2.54 -3.46 6.00 3.01 -1.26 -4.83 117.46 115.02 1up8 n PHE 478 Ca 0.09 -3.03 -0.13 0.00 1.01 0.00 0.00 57.45 55.39 1up8 n PHE 478 Cb 0.53 -2.36 -0.03 0.00 -0.01 0.00 0.00 39.48 37.61 1up8 n PHE 478 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1up8 s HIS 479 N 1.55 -0.53 1.01 1.38 -3.43 -1.26 -2.66 115.29 111.34 1up8 s HIS 479 Ca 0.65 0.49 -0.14 0.00 -0.80 0.00 0.00 55.06 55.26 1up8 s HIS 479 Cb 0.18 0.52 0.09 0.00 -1.43 0.00 0.00 32.58 31.94 1up8 s HIS 479 CO -0.07 -0.74 0.43 -2.30 -2.00 0.00 0.00 174.74 170.07 1up8 n PRO 480 N -0.05 -0.82 0.18 -0.38 -0.02 -1.26 -4.96 135.00 127.68 1up8 n PRO 480 Ca -0.16 -0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.18 1up8 n PRO 480 Cb 0.63 -1.90 0.23 0.00 -0.02 0.00 0.00 33.50 32.44 1up8 n PRO 480 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1up8 h SER 481 N -1.82 0.00 -3.27 2.55 0.87 -1.67 -3.46 113.55 106.75 1up8 h SER 481 Ca -0.47 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.56 1up8 h SER 481 Cb 1.30 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.87 1up8 h SER 481 CO 0.37 0.34 -0.76 -0.47 -0.53 0.00 0.00 176.83 175.78 1up8 s TYR 482 N -3.30 1.14 0.00 2.24 5.04 -1.26 -4.21 117.35 116.99 1up8 s TYR 482 Ca 0.03 -0.97 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1up8 s TYR 482 Cb 0.09 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 41.29 1up8 s TYR 482 CO 0.69 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.67 1up8 n GLY 483 N 5.02 1.42 3.15 8.97 0.00 -1.26 -2.90 105.19 119.59 1up8 n GLY 483 Ca -0.09 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 1up8 n GLY 483 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1up8 s SER 484 N -1.00 2.45 0.19 1.61 0.15 -1.26 -4.84 113.70 110.99 1up8 s SER 484 Ca 0.00 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.14 1up8 s SER 484 Cb 0.00 -0.90 0.11 0.00 -1.71 0.00 0.00 66.02 63.52 1up8 s SER 484 CO 0.00 0.14 1.72 1.23 1.20 0.00 0.00 173.24 177.53 1up8 h GLY 485 N 6.51 1.17 0.95 9.45 0.00 -1.94 -1.08 103.07 118.13 1up8 h GLY 485 Ca -0.29 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.29 1up8 h GLY 485 CO 0.47 0.66 0.11 0.45 0.00 0.00 0.00 176.54 178.23 1up8 h HIS 486 N 1.02 0.75 0.06 5.60 3.86 -1.97 -2.46 115.15 122.01 1up8 h HIS 486 Ca 0.22 -0.09 -0.26 0.00 -1.16 0.00 0.00 60.37 59.08 1up8 h HIS 486 Cb 0.33 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 28.61 1up8 h HIS 486 CO 0.03 0.69 -1.10 0.00 0.86 0.00 0.00 177.93 178.41 1up8 h ALA 487 N 0.97 0.17 -0.78 2.45 0.00 -1.90 -0.86 119.26 119.31 1up8 h ALA 487 Ca 0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1up8 h ALA 487 Cb 0.32 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1up8 h ALA 487 CO 0.00 0.78 0.37 -0.24 0.00 0.00 0.00 179.25 180.16 1up8 h VAL 488 N 0.25 1.25 -0.42 0.00 3.04 -1.23 0.00 116.25 119.14 1up8 h VAL 488 Ca -0.13 -0.70 -0.09 0.00 -1.01 0.00 0.00 66.70 64.77 1up8 h VAL 488 Cb 1.76 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1up8 h VAL 488 CO 0.20 0.30 -0.09 0.58 -1.01 0.00 0.00 177.57 177.54 1up8 h VAL 489 N 1.11 1.27 -0.44 1.51 2.07 -1.36 -2.08 116.25 118.33 1up8 h VAL 489 Ca 0.27 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.68 1up8 h VAL 489 Cb 0.12 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1up8 h VAL 489 CO -0.03 0.40 0.05 0.00 0.02 0.00 0.00 177.57 178.00 1up8 h ALA 490 N 0.85 0.45 0.30 1.67 0.00 -0.95 0.11 119.26 121.69 1up8 h ALA 490 Ca 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1up8 h ALA 490 Cb 0.62 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1up8 h ALA 490 CO 0.04 -0.35 -0.14 0.78 0.00 0.00 0.00 179.25 179.57 1up8 h GLY 491 N 0.16 -0.42 0.91 0.00 0.00 -0.89 -1.77 103.07 101.06 1up8 h GLY 491 Ca 0.22 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1up8 h GLY 491 CO -0.32 -0.15 0.06 0.00 0.00 0.00 0.00 176.54 176.12 1up8 h ALA 492 N 0.28 0.17 -0.30 3.60 0.00 -1.22 -2.88 119.26 118.91 1up8 h ALA 492 Ca -0.04 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1up8 h ALA 492 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1up8 h ALA 492 CO 0.07 -0.38 -0.22 0.00 0.00 0.00 0.00 179.25 178.72 1up8 h VAL 494 N 0.42 0.57 -0.15 0.00 -1.51 -1.38 -2.48 116.25 111.71 1up8 h VAL 494 Ca 0.06 -1.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.45 1up8 h VAL 494 Cb 0.77 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1up8 h VAL 494 CO 0.06 0.21 0.06 0.74 -1.23 0.00 0.00 177.57 177.41 1up8 h THR 495 N 0.00 1.15 -0.26 7.19 2.02 -1.41 -0.96 112.91 120.65 1up8 h THR 495 Ca -0.00 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 66.77 1up8 h THR 495 Cb 0.70 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1up8 h THR 495 CO 0.03 0.14 -0.12 0.40 0.37 0.00 0.00 175.52 176.34 1up8 h ILE 496 N 0.10 0.62 -0.50 3.11 1.08 -1.27 -2.09 117.51 118.55 1up8 h ILE 496 Ca 0.05 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.46 1up8 h ILE 496 Cb 0.17 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1up8 h ILE 496 CO -0.00 0.00 0.07 -0.07 -0.69 0.00 0.00 178.15 177.46 1up8 h LEU 497 N -0.09 0.80 -1.19 1.44 3.38 -1.34 -0.62 115.31 117.71 1up8 h LEU 497 Ca 0.14 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1up8 h LEU 497 Cb 0.29 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1up8 h LEU 497 CO -0.31 0.87 0.55 0.11 0.09 0.00 0.00 178.44 179.75 1up8 h LYS 498 N 0.71 1.08 -0.01 1.13 1.57 -1.15 -1.49 116.57 118.40 1up8 h LYS 498 Ca 0.15 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.64 1up8 h LYS 498 Cb 0.41 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1up8 h LYS 498 CO 0.01 0.71 -0.93 0.00 -0.57 0.00 0.00 179.45 178.67 1up8 h ALA 499 N 1.49 0.35 0.13 3.86 0.00 -0.90 -3.37 119.26 120.81 1up8 h ALA 499 Ca 0.31 -0.69 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1up8 h ALA 499 Cb -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.70 1up8 h ALA 499 CO -0.07 0.79 -0.77 0.35 0.00 0.00 0.00 179.25 179.54 1up8 h PHE 500 N 0.27 0.53 -4.00 0.00 3.57 -0.92 -3.37 116.94 113.02 1up8 h PHE 500 Ca -0.08 -0.38 -0.48 0.00 3.53 0.00 0.00 57.97 60.56 1up8 h PHE 500 Cb 1.56 -0.02 0.06 0.00 2.79 0.00 0.00 35.95 40.35 1up8 h PHE 500 CO 0.07 1.29 0.28 -0.06 -2.23 0.00 0.00 178.31 177.65 1up8 s PHE 501 N -2.47 3.29 -1.16 0.41 0.40 -0.58 -0.33 117.98 117.54 1up8 s PHE 501 Ca -0.14 0.82 -0.20 0.00 -0.60 0.00 0.00 56.93 56.81 1up8 s PHE 501 Cb 0.01 -2.87 0.06 0.00 0.51 0.00 0.00 43.02 40.73 1up8 s PHE 501 CO 0.83 -0.97 1.58 0.34 0.70 0.00 0.00 175.22 177.70 1up8 s ASP 502 N -4.33 6.68 0.00 1.36 -1.08 -0.45 -3.70 116.67 115.16 1up8 s ASP 502 Ca 0.56 -1.98 0.26 0.00 -0.52 0.00 0.00 52.55 50.86 1up8 s ASP 502 Cb -0.11 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.24 1up8 s ASP 502 CO 0.48 -1.32 1.89 -1.54 0.52 0.00 0.00 175.17 175.21 1up8 n SER 503 N 8.52 0.00 0.21 -0.34 3.41 -1.26 -2.25 113.62 121.91 1up8 n SER 503 Ca 0.41 -0.52 0.15 0.00 -0.26 0.00 0.00 58.87 58.64 1up8 n SER 503 Cb 0.48 -0.12 0.56 0.00 -0.26 0.00 0.00 64.21 64.88 1up8 n SER 503 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1up8 h GLY 504 N 4.14 0.00 -4.38 5.00 0.00 -1.93 -1.40 103.07 104.50 1up8 h GLY 504 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1up8 h GLY 504 CO 0.00 0.00 0.46 1.39 0.00 0.00 0.00 176.54 178.39 1up8 n ILE 505 N -2.71 1.69 -3.43 2.60 2.08 -0.95 -4.73 119.36 113.91 1up8 n ILE 505 Ca 0.02 -0.42 -0.32 0.00 0.56 0.00 0.00 62.75 62.59 1up8 n ILE 505 Cb 0.30 -1.42 -0.05 0.00 -0.75 0.00 0.00 39.64 37.72 1up8 n ILE 505 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1up8 s GLU 506 N -1.39 3.79 0.05 0.38 2.02 -1.26 -1.61 118.70 120.67 1up8 s GLU 506 Ca 0.60 0.25 -0.27 0.00 0.02 0.00 0.00 54.97 55.56 1up8 s GLU 506 Cb -0.62 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 1up8 s GLU 506 CO 0.58 0.32 0.86 0.42 0.02 0.00 0.00 175.26 177.46 1up8 s ILE 507 N -1.82 4.71 -0.09 -1.63 1.01 0.62 -4.89 121.20 119.12 1up8 s ILE 507 Ca 0.47 1.82 -0.02 0.00 0.00 0.00 0.00 60.65 62.92 1up8 s ILE 507 Cb -0.11 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1up8 s ILE 507 CO 0.22 0.31 0.10 0.44 0.00 0.00 0.00 174.94 176.00 1up8 h ASP 508 N 5.93 -0.07 -3.32 3.58 3.32 -1.98 -3.43 116.42 120.45 1up8 h ASP 508 Ca -0.43 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.97 1up8 h ASP 508 Cb 1.21 0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.51 1up8 h ASP 508 CO 0.72 0.40 -0.76 -1.58 -1.72 0.00 0.00 179.24 176.30 1up8 s GLN 509 N -1.80 3.38 -0.17 3.56 2.00 -1.26 -5.09 119.66 120.27 1up8 s GLN 509 Ca -0.01 -0.68 -0.08 0.00 -2.00 0.00 0.00 55.36 52.59 1up8 s GLN 509 Cb 0.00 -2.69 -0.04 0.00 0.80 0.00 0.00 33.01 31.08 1up8 s GLN 509 CO 0.04 0.14 0.09 0.08 -0.50 0.00 0.00 175.29 175.14 1up8 s VAL 510 N 0.54 5.10 0.25 1.34 1.01 -1.26 -5.07 120.40 122.31 1up8 s VAL 510 Ca -0.08 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1up8 s VAL 510 Cb -0.16 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1up8 s VAL 510 CO 0.04 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.10 1up8 s PHE 511 N -0.06 2.07 0.14 5.22 0.40 -1.26 -1.32 117.98 123.18 1up8 s PHE 511 Ca 0.08 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1up8 s PHE 511 Cb -0.12 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1up8 s PHE 511 CO 0.00 0.58 0.16 -1.21 0.70 0.00 0.00 175.22 175.45 1up8 s GLU 512 N -3.56 1.02 0.17 0.44 2.02 -0.61 -4.76 118.70 113.42 1up8 s GLU 512 Ca 0.27 -1.30 -0.30 0.00 0.02 0.00 0.00 54.97 53.66 1up8 s GLU 512 Cb -0.03 0.31 -0.07 0.00 0.10 0.00 0.00 34.13 34.43 1up8 s GLU 512 CO 0.12 -0.33 0.99 0.08 0.02 0.00 0.00 175.26 176.14 1up8 s VAL 513 N -4.00 4.19 0.49 2.63 1.01 -1.26 -1.18 120.40 122.28 1up8 s VAL 513 Ca 0.20 1.97 -0.24 0.00 0.00 0.00 0.00 61.98 63.91 1up8 s VAL 513 Cb 0.06 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1up8 s VAL 513 CO 0.00 0.37 1.35 -0.62 0.00 0.00 0.00 175.10 176.21 1up8 s ASP 514 N -0.45 5.70 0.31 3.32 2.15 -0.18 -4.77 116.67 122.75 1up8 s ASP 514 Ca 0.45 2.75 0.01 0.00 0.43 0.00 0.00 52.55 56.20 1up8 s ASP 514 Cb -0.26 -2.64 0.50 0.00 -0.30 0.00 0.00 42.92 40.23 1up8 s ASP 514 CO 0.32 -1.27 1.86 0.11 -0.17 0.00 0.00 175.17 176.01 1up8 h LYS 515 N 1.97 0.70 0.00 4.34 1.57 -1.91 -3.37 116.57 119.86 1up8 h LYS 515 Ca -0.51 -0.14 -0.26 0.00 -1.87 0.00 0.00 60.65 57.87 1up8 h LYS 515 Cb 1.28 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 1up8 h LYS 515 CO 0.59 0.65 -1.98 -0.25 -0.57 0.00 0.00 179.45 177.89 1up8 n ASP 516 N -4.29 1.46 -4.49 0.86 8.00 -1.26 -5.04 116.55 111.79 1up8 n ASP 516 Ca 0.03 -0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 1up8 n ASP 516 Cb 0.22 0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 42.07 1up8 n ASP 516 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1up8 s GLU 517 N -2.35 1.71 -1.38 -1.24 2.02 -1.26 -5.06 118.70 111.14 1up8 s GLU 517 Ca -0.07 -1.84 -0.16 0.00 0.02 0.00 0.00 54.97 52.92 1up8 s GLU 517 Cb 0.04 -1.60 0.05 0.00 0.10 0.00 0.00 34.13 32.72 1up8 s GLU 517 CO 0.59 0.18 2.00 -3.47 0.02 0.00 0.00 175.26 174.58 1up8 n ASP 518 N -0.69 4.37 -3.79 -0.19 2.03 -1.26 -4.11 116.55 112.91 1up8 n ASP 518 Ca -0.05 -2.88 -0.09 0.00 0.52 0.00 0.00 54.79 52.29 1up8 n ASP 518 Cb 0.62 -1.70 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 1up8 n ASP 518 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1up8 s LYS 519 N 3.69 1.57 0.11 -0.67 -2.85 -1.26 -4.89 119.74 115.44 1up8 s LYS 519 Ca 0.50 -0.93 -0.13 0.00 -1.00 0.00 0.00 55.97 54.41 1up8 s LYS 519 Cb 0.09 0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 36.36 1up8 s LYS 519 CO -0.01 -0.69 0.49 -0.51 0.10 0.00 0.00 175.35 174.73 1up8 s LEU 520 N -2.90 4.36 0.07 2.77 1.43 -1.26 -1.01 118.68 122.13 1up8 s LEU 520 Ca 0.11 0.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.22 1up8 s LEU 520 Cb -0.03 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1up8 s LEU 520 CO 0.02 0.14 -0.10 0.68 0.23 0.00 0.00 176.35 177.33 1up8 s VAL 521 N -1.41 0.78 0.23 -1.59 -7.23 -0.32 -4.84 120.40 106.02 1up8 s VAL 521 Ca 0.35 -1.32 -0.31 0.00 -1.81 0.00 0.00 61.98 58.89 1up8 s VAL 521 Cb -0.15 -0.97 -0.10 0.00 0.56 0.00 0.00 36.38 35.72 1up8 s VAL 521 CO 0.18 -0.42 1.53 -0.54 -0.31 0.00 0.00 175.10 175.54 1up8 s LYS 522 N -2.06 4.21 0.54 4.82 1.02 -1.26 -1.57 119.74 125.44 1up8 s LYS 522 Ca -0.03 2.40 -0.17 0.00 0.02 0.00 0.00 55.97 58.19 1up8 s LYS 522 Cb -0.07 -3.10 -0.06 0.00 -0.52 0.00 0.00 37.83 34.07 1up8 s LYS 522 CO 0.00 -0.54 1.02 0.45 -0.92 0.00 0.00 175.35 175.36 1up8 s SER 523 N 0.67 6.26 -0.04 2.83 0.15 -0.44 -4.82 113.70 118.31 1up8 s SER 523 Ca 0.64 1.73 0.14 0.00 0.70 0.00 0.00 55.95 59.17 1up8 s SER 523 Cb -0.44 -2.53 0.49 0.00 -1.71 0.00 0.00 66.02 61.82 1up8 s SER 523 CO 0.40 -0.84 1.38 -1.54 1.20 0.00 0.00 173.24 173.84 1up8 n SER 524 N -1.61 3.16 -4.69 5.45 3.41 -1.26 -4.90 113.62 113.18 1up8 n SER 524 Ca 0.08 -2.17 -0.44 0.00 -0.26 0.00 0.00 58.87 56.08 1up8 n SER 524 Cb 0.53 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1up8 n SER 524 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1up8 n PHE 525 N 0.86 2.36 -0.04 7.33 7.35 -1.26 -4.93 117.46 129.14 1up8 n PHE 525 Ca 0.18 0.38 0.04 0.00 -0.76 0.00 0.00 57.45 57.29 1up8 n PHE 525 Cb 0.56 -2.50 -0.15 0.00 0.35 0.00 0.00 39.48 37.74 1up8 n PHE 525 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1up8 n LYS 526 N 2.04 0.72 0.00 -4.13 4.81 -1.26 -4.99 118.16 115.35 1up8 n LYS 526 Ca 0.11 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1up8 n LYS 526 Cb 0.33 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1up8 n LYS 526 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1up8 n GLY 527 N 1.53 -0.57 3.06 3.14 0.00 -1.26 -5.09 105.19 106.00 1up8 n GLY 527 Ca -0.12 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1up8 n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1up8 s THR 528 N 0.00 1.62 0.01 2.61 2.01 -1.26 -5.11 115.64 115.51 1up8 s THR 528 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1up8 s THR 528 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1up8 s THR 528 CO 0.00 0.47 0.04 -0.76 -0.69 0.00 0.00 174.62 173.68 1up8 s LEU 529 N 1.13 3.71 0.30 4.42 1.43 -1.26 -5.03 118.68 123.37 1up8 s LEU 529 Ca -0.03 0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1up8 s LEU 529 Cb -0.14 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1up8 s LEU 529 CO -0.05 0.26 -0.04 0.42 0.23 0.00 0.00 176.35 177.17 1up8 s THR 530 N -1.17 2.89 0.17 5.49 -4.23 -1.26 -0.28 115.64 117.26 1up8 s THR 530 Ca 0.22 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.48 1up8 s THR 530 Cb -0.12 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.13 1up8 s THR 530 CO 0.13 -0.31 1.63 0.58 -0.54 0.00 0.00 174.62 176.11 1up8 h VAL 531 N 1.95 0.41 -0.68 2.29 2.07 -1.30 0.44 116.25 121.43 1up8 h VAL 531 Ca -0.43 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1up8 h VAL 531 Cb 1.25 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1up8 h VAL 531 CO 0.63 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.61 1up8 h ALA 532 N 1.14 0.91 -0.28 1.67 0.00 -1.54 0.12 119.26 121.28 1up8 h ALA 532 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1up8 h ALA 532 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1up8 h ALA 532 CO -0.48 0.10 0.12 0.78 0.00 0.00 0.00 179.25 179.77 1up8 h GLY 533 N 0.74 0.45 2.00 0.00 0.00 -1.62 -1.64 103.07 103.01 1up8 h GLY 533 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1up8 h GLY 533 CO -0.16 0.23 -0.32 0.83 0.00 0.00 0.00 176.54 177.11 1up8 h GLU 534 N 0.31 0.00 -0.02 4.80 4.39 -0.56 0.05 114.58 123.56 1up8 h GLU 534 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1up8 h GLU 534 Cb 0.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1up8 h GLU 534 CO -0.01 0.32 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.09 1up8 h LEU 535 N 0.00 0.04 -0.50 1.33 3.38 -0.79 -1.60 115.31 117.18 1up8 h LEU 535 Ca -0.00 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.68 1up8 h LEU 535 Cb 0.67 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1up8 h LEU 535 CO 0.04 0.39 0.16 0.78 0.09 0.00 0.00 178.44 179.90 1up8 h ASN 536 N -0.31 0.14 -0.60 -0.43 4.21 -1.19 -1.84 115.58 115.56 1up8 h ASN 536 Ca 0.01 0.07 0.11 0.00 1.21 0.00 0.00 56.30 57.69 1up8 h ASN 536 Cb 0.37 0.06 -0.08 0.00 -1.12 0.00 0.00 38.32 37.55 1up8 h ASN 536 CO 0.00 0.11 0.16 0.50 -1.29 0.00 0.00 177.43 176.91 1up8 h LYS 537 N 0.33 0.29 -0.73 0.81 3.64 -0.96 -0.73 116.57 119.22 1up8 h LYS 537 Ca 0.25 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1up8 h LYS 537 Cb 0.28 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1up8 h LYS 537 CO -0.27 0.19 0.34 1.25 -2.27 0.00 0.00 179.45 178.70 1up8 h LEU 538 N 0.30 0.97 -0.23 5.20 5.85 -0.65 0.23 115.31 126.98 1up8 h LEU 538 Ca 0.31 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1up8 h LEU 538 Cb 0.45 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1up8 h LEU 538 CO -0.37 0.84 0.14 0.00 -0.34 0.00 0.00 178.44 178.71 1up8 h ALA 539 N 1.17 0.29 -0.25 1.25 0.00 -0.88 -1.57 119.26 119.26 1up8 h ALA 539 Ca 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1up8 h ALA 539 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1up8 h ALA 539 CO -0.03 -0.20 0.03 -0.44 0.00 0.00 0.00 179.25 178.60 1up8 h ASP 540 N 0.28 0.33 0.16 0.00 3.32 -0.61 -1.71 116.42 118.19 1up8 h ASP 540 Ca 0.08 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1up8 h ASP 540 Cb 0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1up8 h ASP 540 CO -0.02 0.37 -0.08 0.78 -1.72 0.00 0.00 179.24 178.58 1up8 h ASN 541 N 0.36 -0.18 -0.32 6.45 -0.26 0.04 -1.53 115.58 120.14 1up8 h ASN 541 Ca 0.09 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1up8 h ASN 541 Cb 0.20 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1up8 h ASN 541 CO 0.00 -0.06 0.08 0.40 -1.06 0.00 0.00 177.43 176.80 1up8 h ILE 542 N -0.29 1.21 -0.23 2.81 5.03 -1.21 0.51 117.51 125.35 1up8 h ILE 542 Ca -0.02 -0.71 0.03 0.00 -0.12 0.00 0.00 64.86 64.04 1up8 h ILE 542 Cb 0.22 1.08 -0.03 0.00 -3.03 0.00 0.00 36.82 35.06 1up8 h ILE 542 CO 0.04 0.24 0.05 0.00 -0.68 0.00 0.00 178.15 177.79 1up8 h ALA 543 N 0.92 0.23 0.00 1.87 0.00 -1.34 -2.82 119.26 118.12 1up8 h ALA 543 Ca 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1up8 h ALA 543 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1up8 h ALA 543 CO -0.00 -0.38 -0.48 0.82 0.00 0.00 0.00 179.25 179.22 1up8 h ILE 544 N 0.14 0.99 -0.97 0.00 1.08 -1.22 -2.48 117.51 115.04 1up8 h ILE 544 Ca 0.10 -1.90 0.25 0.00 -0.39 0.00 0.00 64.86 62.93 1up8 h ILE 544 Cb 0.10 2.15 -0.13 0.00 -3.07 0.00 0.00 36.82 35.87 1up8 h ILE 544 CO -0.14 0.47 0.52 1.23 -0.69 0.00 0.00 178.15 179.54 1up8 h GLY 545 N 2.49 1.82 1.04 5.37 0.00 -0.63 0.17 103.07 113.33 1up8 h GLY 545 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1up8 h GLY 545 CO 0.06 -0.31 -0.17 3.21 0.00 0.00 0.00 176.54 179.33 1up8 h ARG 546 N 0.47 0.88 -0.78 4.80 2.47 -1.38 -2.50 114.38 118.34 1up8 h ARG 546 Ca 0.64 -0.37 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 1up8 h ARG 546 Cb 1.27 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.52 1up8 h ARG 546 CO -0.52 1.01 0.45 -0.91 0.56 0.00 0.00 179.97 180.56 1up8 h ASN 547 N 0.71 0.94 1.32 7.04 4.21 -1.22 -2.32 115.58 126.26 1up8 h ASN 547 Ca 0.10 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 1up8 h ASN 547 Cb 0.73 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1up8 h ASN 547 CO 0.06 0.74 -0.00 0.24 -1.29 0.00 0.00 177.43 177.17 1up8 h MET 548 N 1.08 0.00 0.00 0.81 2.86 -0.52 -2.03 114.93 117.12 1up8 h MET 548 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1up8 h MET 548 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1up8 h MET 548 CO -0.05 0.00 -0.31 0.00 1.06 0.00 0.00 176.91 177.61 1up8 n ALA 549 N -2.09 2.71 -0.28 6.32 0.00 -0.96 -4.63 120.51 121.58 1up8 n ALA 549 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1up8 n ALA 549 Cb 0.37 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1up8 n ALA 549 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1up8 n GLY 550 N 1.37 0.85 0.46 0.00 0.00 -0.76 -1.98 105.19 105.13 1up8 n GLY 550 Ca 0.05 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1up8 n GLY 550 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1up8 n VAL 551 N -2.28 0.00 -3.87 1.61 0.24 -0.90 -4.15 118.33 108.98 1up8 n VAL 551 Ca 0.00 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 1up8 n VAL 551 Cb 0.00 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.54 1up8 n VAL 551 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1up8 s HIS 552 N -1.09 0.19 0.30 6.34 4.02 -1.23 -4.63 115.29 119.18 1up8 s HIS 552 Ca 0.14 -0.60 0.07 0.00 1.02 0.00 0.00 55.06 55.69 1up8 s HIS 552 Cb 0.10 -0.04 -0.03 0.00 -1.02 0.00 0.00 32.58 31.60 1up8 s HIS 552 CO 0.17 -0.60 0.32 0.71 1.02 0.00 0.00 174.74 176.37 1up8 s TYR 553 N -3.88 3.11 0.16 1.40 1.51 -1.26 -4.32 117.35 114.06 1up8 s TYR 553 Ca 0.08 -0.18 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 1up8 s TYR 553 Cb 0.04 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.26 1up8 s TYR 553 CO -0.08 0.28 1.63 0.35 -1.11 0.00 0.00 175.55 176.61 1up8 h PHE 554 N 1.22 -0.61 -0.44 2.71 3.57 -1.99 -2.80 116.94 118.60 1up8 h PHE 554 Ca -0.47 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1up8 h PHE 554 Cb 1.25 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 40.28 1up8 h PHE 554 CO 0.50 -0.31 0.09 0.66 -2.23 0.00 0.00 178.31 177.02 1up8 h SER 555 N -0.20 0.61 -0.60 0.41 4.64 -1.97 -1.56 113.55 114.88 1up8 h SER 555 Ca 0.16 -0.10 0.12 0.00 -0.47 0.00 0.00 61.79 61.50 1up8 h SER 555 Cb 0.45 -0.16 -0.10 0.00 -0.31 0.00 0.00 62.40 62.29 1up8 h SER 555 CO -0.43 0.62 0.02 0.44 -0.87 0.00 0.00 176.83 176.61 1up8 h ASP 556 N 0.64 -0.23 0.08 4.97 3.32 -1.83 -2.41 116.42 120.96 1up8 h ASP 556 Ca 0.14 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1up8 h ASP 556 Cb 0.27 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1up8 h ASP 556 CO -0.00 -0.10 -0.04 1.56 -1.72 0.00 0.00 179.24 178.95 1up8 h GLN 557 N 0.13 -0.10 -0.55 3.56 1.08 -1.23 -2.56 115.11 115.44 1up8 h GLN 557 Ca 0.31 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.54 1up8 h GLN 557 Cb 0.50 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1up8 h GLN 557 CO -0.50 0.45 0.35 0.35 -0.95 0.00 0.00 178.83 178.53 1up8 h PHE 558 N -0.81 0.66 -0.03 2.96 3.57 -1.46 -1.69 116.94 120.14 1up8 h PHE 558 Ca -0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1up8 h PHE 558 Cb 0.60 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1up8 h PHE 558 CO 0.13 0.39 -0.48 0.93 -2.23 0.00 0.00 178.31 177.05 1up8 h GLU 559 N 0.70 0.08 -0.37 1.11 4.39 -1.51 -2.52 114.58 116.47 1up8 h GLU 559 Ca 0.21 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 1up8 h GLU 559 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1up8 h GLU 559 CO -0.07 0.55 -0.27 0.77 -1.16 0.00 0.00 179.01 178.83 1up8 h SER 560 N 0.07 0.78 -0.80 1.42 0.02 -1.06 -2.89 113.55 111.09 1up8 h SER 560 Ca 0.00 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1up8 h SER 560 Cb 0.88 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1up8 h SER 560 CO 0.07 1.01 0.51 -0.07 -1.14 0.00 0.00 176.83 177.20 1up8 h LEU 561 N 0.65 0.83 -0.96 5.07 3.38 -0.88 -1.80 115.31 121.60 1up8 h LEU 561 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1up8 h LEU 561 Cb 0.79 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1up8 h LEU 561 CO 0.07 0.56 0.04 -0.07 0.09 0.00 0.00 178.44 179.13 1up8 h LEU 562 N 0.97 0.76 -0.37 1.67 3.38 -1.40 -1.90 115.31 118.43 1up8 h LEU 562 Ca 0.33 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1up8 h LEU 562 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1up8 h LEU 562 CO -0.13 0.80 -0.22 0.25 0.09 0.00 0.00 178.44 179.24 1up8 h LEU 563 N 0.76 0.82 -0.69 1.67 5.85 -1.27 -2.91 115.31 119.55 1up8 h LEU 563 Ca 0.15 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1up8 h LEU 563 Cb 0.40 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1up8 h LEU 563 CO 0.01 1.07 0.16 1.23 -0.34 0.00 0.00 178.44 180.57 1up8 h GLY 564 N 0.59 1.19 0.42 3.75 0.00 -1.12 -2.35 103.07 105.54 1up8 h GLY 564 Ca 0.08 -0.75 0.11 0.00 0.00 0.00 0.00 47.33 46.77 1up8 h GLY 564 CO 0.06 0.70 0.45 -2.09 0.00 0.00 0.00 176.54 175.66 1up8 h GLU 565 N 1.03 0.70 -0.45 4.80 4.81 -1.33 -2.18 114.58 121.96 1up8 h GLU 565 Ca 0.21 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1up8 h GLU 565 Cb 0.38 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1up8 h GLU 565 CO 0.00 0.46 -0.16 1.96 -0.73 0.00 0.00 179.01 180.54 1up8 h GLN 566 N 0.72 0.86 0.06 1.92 4.20 -1.23 -2.12 115.11 119.51 1up8 h GLN 566 Ca 0.41 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1up8 h GLN 566 Cb 0.45 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1up8 h GLN 566 CO -0.29 0.96 -0.03 0.28 -0.67 0.00 0.00 178.83 179.08 1up8 h VAL 567 N 0.76 1.01 -0.32 -0.54 2.07 -1.13 -2.01 116.25 116.08 1up8 h VAL 567 Ca 0.11 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1up8 h VAL 567 Cb 0.69 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1up8 h VAL 567 CO 0.05 0.06 0.07 0.00 0.02 0.00 0.00 177.57 177.77 1up8 h ALA 568 N 0.74 0.34 -0.26 1.67 0.00 -1.32 -1.68 119.26 118.76 1up8 h ALA 568 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1up8 h ALA 568 Cb 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1up8 h ALA 568 CO 0.01 -0.33 -0.06 0.82 0.00 0.00 0.00 179.25 179.69 1up8 h ILE 569 N 0.19 0.74 -0.96 0.00 2.04 -1.35 -1.30 117.51 116.86 1up8 h ILE 569 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1up8 h ILE 569 Cb 0.15 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1up8 h ILE 569 CO -0.18 0.00 0.63 1.23 0.00 0.00 0.00 178.15 179.83 1up8 h GLY 570 N -0.00 1.38 0.96 5.37 0.00 -1.01 -1.01 103.07 108.76 1up8 h GLY 570 Ca 0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1up8 h GLY 570 CO -0.27 0.45 0.21 -2.22 0.00 0.00 0.00 176.54 174.71 1up8 h ILE 571 N 1.26 1.18 -0.61 2.60 2.04 -0.75 -2.12 117.51 121.12 1up8 h ILE 571 Ca 0.37 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1up8 h ILE 571 Cb -0.07 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1up8 h ILE 571 CO -0.10 0.20 0.39 -0.07 0.00 0.00 0.00 178.15 178.57 1up8 h LEU 572 N 0.56 0.66 -0.37 1.44 3.38 -0.85 -1.37 115.31 118.76 1up8 h LEU 572 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1up8 h LEU 572 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1up8 h LEU 572 CO -0.02 0.47 0.24 -0.33 0.09 0.00 0.00 178.44 178.89 1up8 h GLU 573 N 0.78 0.49 -0.55 1.13 5.08 -1.07 -2.01 114.58 118.43 1up8 h GLU 573 Ca 0.23 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1up8 h GLU 573 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1up8 h GLU 573 CO -0.07 0.34 0.02 0.93 -1.00 0.00 0.00 179.01 179.22 1up8 h GLU 574 N 0.50 0.96 0.00 2.33 5.08 -1.17 -2.93 114.58 119.35 1up8 h GLU 574 Ca 0.14 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1up8 h GLU 574 Cb -0.05 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1up8 h GLU 574 CO -0.03 0.96 -0.14 1.96 -1.00 0.00 0.00 179.01 180.76 1up8 h GLN 575 N 0.84 0.00 -0.11 2.33 4.20 -1.14 -2.99 115.11 118.24 1up8 h GLN 575 Ca 0.16 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.90 1up8 h GLN 575 Cb 0.51 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1up8 h GLN 575 CO 0.02 0.14 0.12 0.66 -0.67 0.00 0.00 178.83 179.10 1up8 h SER 576 N 0.00 0.00 0.55 1.46 4.64 -1.17 -0.54 113.55 118.50 1up8 h SER 576 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1up8 h SER 576 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1up8 h SER 576 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1up8 n LEU 577 N -3.87 0.28 -0.06 5.97 4.77 -1.13 -3.66 117.00 119.31 1up8 n LEU 577 Ca -0.00 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 1up8 n LEU 577 Cb 0.23 -0.54 0.30 0.00 -2.33 0.00 0.00 43.42 41.08 1up8 n LEU 577 CO 0.28 -0.41 0.53 0.35 -1.33 0.00 0.00 177.39 176.81 1up8 n THR 578 N -1.82 0.00 -4.01 -5.08 -2.24 -0.21 -4.94 114.28 95.98 1up8 n THR 578 Ca 0.03 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1up8 n THR 578 Cb 0.18 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1up8 n THR 578 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1up8 s TYR 579 N -2.88 3.34 -0.20 4.78 1.51 -1.24 -5.01 117.35 117.65 1up8 s TYR 579 Ca 0.15 0.19 0.22 0.00 -1.01 0.00 0.00 57.07 56.62 1up8 s TYR 579 Cb 0.18 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 1up8 s TYR 579 CO 0.65 0.56 0.96 0.41 -1.11 0.00 0.00 175.55 177.02 1up8 n GLY 580 N 0.70 -1.39 3.77 0.71 0.00 -1.26 -4.99 105.19 102.72 1up8 n GLY 580 Ca -0.09 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1up8 n GLY 580 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1up8 s GLU 581 N -3.34 2.44 -0.56 1.61 8.01 -1.26 -5.01 118.70 120.59 1up8 s GLU 581 Ca -0.02 1.27 -0.19 0.00 0.01 0.00 0.00 54.97 56.04 1up8 s GLU 581 Cb 0.10 -1.91 0.08 0.00 -4.31 0.00 0.00 34.13 28.09 1up8 s GLU 581 CO 0.81 -1.51 0.70 1.21 0.01 0.00 0.00 175.26 176.47 1up8 s ASN 582 N -3.03 6.20 0.21 -0.19 2.47 -1.26 -5.01 114.94 114.32 1up8 s ASN 582 Ca 0.64 -1.16 -0.23 0.00 0.42 0.00 0.00 52.86 52.53 1up8 s ASN 582 Cb -0.19 -2.31 0.06 0.00 -1.45 0.00 0.00 41.25 37.36 1up8 s ASN 582 CO 0.50 -1.06 0.94 0.72 -3.72 0.00 0.00 177.10 174.48 1up8 s PHE 583 N 2.81 -0.05 0.12 0.43 -0.12 -1.26 -4.76 117.98 115.15 1up8 s PHE 583 Ca 0.14 -0.35 -0.19 0.00 -0.05 0.00 0.00 56.93 56.48 1up8 s PHE 583 Cb -0.21 0.69 0.05 0.00 -0.63 0.00 0.00 43.02 42.92 1up8 s PHE 583 CO 0.09 -0.99 0.48 -0.59 -0.05 0.00 0.00 175.22 174.16 1up8 s PHE 584 N -2.92 -0.34 -0.01 3.49 -0.12 -1.10 -5.01 117.98 111.96 1up8 s PHE 584 Ca 0.15 0.13 -0.21 0.00 -0.05 0.00 0.00 56.93 56.95 1up8 s PHE 584 Cb -0.03 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1up8 s PHE 584 CO 0.05 -0.73 0.60 -0.06 -0.05 0.00 0.00 175.22 175.03 1up8 s PHE 585 N -3.51 3.67 -0.34 3.49 0.40 -1.26 -4.06 117.98 116.37 1up8 s PHE 585 Ca 0.01 1.19 -0.12 0.00 -0.60 0.00 0.00 56.93 57.40 1up8 s PHE 585 Cb 0.01 -2.62 -0.00 0.00 0.51 0.00 0.00 43.02 40.91 1up8 s PHE 585 CO -0.10 0.32 0.22 1.21 0.70 0.00 0.00 175.22 177.57 1up8 s ASN 586 N -0.08 5.88 -0.25 1.36 3.04 -1.26 -0.38 114.94 123.26 1up8 s ASN 586 Ca 0.31 -0.58 -0.02 0.00 0.04 0.00 0.00 52.86 52.62 1up8 s ASN 586 Cb -0.18 -2.09 0.03 0.00 -1.54 0.00 0.00 41.25 37.47 1up8 s ASN 586 CO 0.17 -0.27 -0.06 -0.22 -3.04 0.00 0.00 177.10 173.69 1up8 s LEU 587 N 1.67 3.23 -0.42 3.21 2.96 -0.57 -4.33 118.68 124.42 1up8 s LEU 587 Ca 0.05 -0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 1up8 s LEU 587 Cb -0.18 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1up8 s LEU 587 CO 0.09 -0.13 1.20 -2.16 -1.32 0.00 0.00 176.35 174.02 1up8 s PRO 588 N 1.33 3.78 0.78 0.98 0.04 -1.26 -1.90 135.00 138.75 1up8 s PRO 588 Ca 0.00 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 1up8 s PRO 588 Cb -0.17 -3.90 0.06 0.00 0.04 0.00 0.00 34.50 30.54 1up8 s PRO 588 CO -0.04 -1.30 1.12 0.15 0.04 0.00 0.00 177.00 176.97 1up8 s LYS 589 N 4.37 2.20 0.53 4.56 1.02 0.50 -4.94 119.74 127.97 1up8 s LYS 589 Ca 0.51 0.41 0.18 0.00 0.02 0.00 0.00 55.97 57.08 1up8 s LYS 589 Cb -0.10 -1.95 1.33 0.00 -0.52 0.00 0.00 37.83 36.58 1up8 s LYS 589 CO 0.28 -1.49 2.16 0.74 -0.92 0.00 0.00 175.35 176.12 1up8 h PHE 590 N -0.99 0.00 -0.02 3.18 0.05 -1.96 -1.52 116.94 115.68 1up8 h PHE 590 Ca -0.47 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.32 1up8 h PHE 590 Cb 1.29 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.24 1up8 h PHE 590 CO 0.42 0.00 0.00 -0.40 -0.18 0.00 0.00 178.31 178.15 1up8 n ASP 591 N -4.47 0.28 0.00 2.17 5.75 -1.26 -4.56 116.55 114.45 1up8 n ASP 591 Ca -0.03 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1up8 n ASP 591 Cb 0.10 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1up8 n ASP 591 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up8 n GLY 592 N 0.92 0.87 3.99 6.12 0.00 -0.57 -5.04 105.19 111.47 1up8 n GLY 592 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1up8 n GLY 592 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1up8 s THR 593 N -2.50 3.65 -0.04 2.61 -4.23 -1.26 -4.85 115.64 109.02 1up8 s THR 593 Ca 0.00 -0.88 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 1up8 s THR 593 Cb 0.00 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 1up8 s THR 593 CO 0.00 -0.13 -0.25 -0.89 -0.54 0.00 0.00 174.62 172.81 1up8 s THR 594 N -2.34 2.08 -0.08 3.99 2.01 -1.26 -0.37 115.64 119.66 1up8 s THR 594 Ca 0.49 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1up8 s THR 594 Cb -0.10 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1up8 s THR 594 CO 0.33 0.58 -0.13 -0.51 -0.69 0.00 0.00 174.62 174.20 1up8 s ILE 595 N -0.42 3.11 -0.32 1.82 2.07 -0.80 -4.97 121.20 121.70 1up8 s ILE 595 Ca 0.04 -0.68 -0.13 0.00 -1.41 0.00 0.00 60.65 58.47 1up8 s ILE 595 Cb -0.12 -2.26 -0.03 0.00 0.13 0.00 0.00 42.46 40.19 1up8 s ILE 595 CO 0.01 0.56 0.29 -1.10 -1.91 0.00 0.00 174.94 172.79 1up8 s GLN 596 N -0.31 3.70 0.00 3.50 -0.21 -1.26 -1.51 119.66 123.57 1up8 s GLN 596 Ca 0.03 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.06 1up8 s GLN 596 Cb -0.13 -3.75 0.04 0.00 1.00 0.00 0.00 33.01 30.17 1up8 s GLN 596 CO 0.03 -0.38 0.64 -0.89 -2.12 0.00 0.00 175.29 172.56