#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9b n ASP 2 N 0.00 -1.19 0.07 4.37 5.68 -1.26 -4.26 116.55 119.96 1i9b n ASP 2 Ca 0.00 -0.20 -0.21 0.00 -0.50 0.00 0.00 54.79 53.88 1i9b n ASP 2 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1i9b n ASP 2 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1i9b h ARG 3 N 0.00 0.62 -0.61 0.11 3.08 -1.98 -2.83 114.38 112.77 1i9b h ARG 3 Ca 0.00 -0.77 0.11 0.00 0.07 0.00 0.00 59.98 59.39 1i9b h ARG 3 Cb 0.00 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 1i9b h ARG 3 CO 0.00 1.34 0.14 0.00 -1.07 0.00 0.00 179.97 180.38 1i9b h ALA 4 N 0.31 0.73 -0.68 0.04 0.00 -1.99 0.32 119.26 117.98 1i9b h ALA 4 Ca -0.16 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1i9b h ALA 4 Cb 1.80 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 1i9b h ALA 4 CO 0.22 -0.30 0.33 -0.44 0.00 0.00 0.00 179.25 179.06 1i9b h ASP 5 N 0.27 0.87 0.26 0.00 3.32 -1.90 0.04 116.42 119.28 1i9b h ASP 5 Ca 0.32 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1i9b h ASP 5 Cb 0.47 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1i9b h ASP 5 CO -0.40 0.73 -0.13 0.40 -1.72 0.00 0.00 179.24 178.13 1i9b h ILE 6 N 0.96 0.77 -0.78 0.35 2.04 -0.37 -2.12 117.51 118.36 1i9b h ILE 6 Ca 0.24 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1i9b h ILE 6 Cb 0.09 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1i9b h ILE 6 CO -0.03 0.13 0.51 -0.07 0.00 0.00 0.00 178.15 178.68 1i9b h LEU 7 N -0.70 0.90 -0.94 1.44 3.38 -0.48 -2.41 115.31 116.51 1i9b h LEU 7 Ca -0.04 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1i9b h LEU 7 Cb 0.48 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1i9b h LEU 7 CO 0.06 0.67 0.59 0.22 0.09 0.00 0.00 178.44 180.07 1i9b h TYR 8 N 1.06 1.10 0.30 1.13 3.20 -0.95 0.12 116.97 122.92 1i9b h TYR 8 Ca 0.28 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1i9b h TYR 8 Cb -0.10 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.81 1i9b h TYR 8 CO -0.02 0.55 -0.14 -0.91 -1.64 0.00 0.00 178.16 176.00 1i9b h ASN 9 N 1.07 -0.34 -0.76 -2.11 4.21 -0.92 -1.01 115.58 115.71 1i9b h ASN 9 Ca 0.41 -0.18 0.14 0.00 1.21 0.00 0.00 56.30 57.88 1i9b h ASN 9 Cb 0.19 0.09 -0.09 0.00 -1.12 0.00 0.00 38.32 37.38 1i9b h ASN 9 CO -0.18 0.02 0.33 0.40 -1.29 0.00 0.00 177.43 176.71 1i9b h ILE 10 N -0.74 0.70 -0.36 2.81 2.04 -1.18 0.14 117.51 120.91 1i9b h ILE 10 Ca -0.04 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1i9b h ILE 10 Cb 0.50 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1i9b h ILE 10 CO 0.07 0.09 0.13 -0.09 0.00 0.00 0.00 178.15 178.35 1i9b h ARG 11 N 0.49 0.55 0.00 2.37 2.43 -0.93 0.21 114.38 119.51 1i9b h ARG 11 Ca 0.41 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1i9b h ARG 11 Cb 0.60 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1i9b h ARG 11 CO -0.38 0.55 -0.35 0.37 -1.51 0.00 0.00 179.97 178.65 1i9b h GLN 12 N 0.44 0.00 0.00 0.20 5.75 -0.10 -3.34 115.11 118.06 1i9b h GLN 12 Ca 0.12 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1i9b h GLN 12 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1i9b h GLN 12 CO -0.01 0.35 -1.55 0.25 -2.65 0.00 0.00 178.83 175.23 1i9b n THR 13 N -3.39 0.01 -1.63 2.39 -2.24 0.40 -5.04 114.28 104.78 1i9b n THR 13 Ca 0.01 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1i9b n THR 13 Cb 0.54 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1i9b n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i9b s SER 14 N -3.38 4.88 -0.34 3.42 0.15 0.72 -5.04 113.70 114.11 1i9b s SER 14 Ca -0.04 2.02 -0.01 0.00 0.70 0.00 0.00 55.95 58.62 1i9b s SER 14 Cb 0.07 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.96 1i9b s SER 14 CO 0.49 -1.79 0.18 -0.13 1.20 0.00 0.00 173.24 173.19 1i9b s ARG 15 N -4.19 0.50 0.64 5.44 0.52 -1.26 -4.99 118.95 115.61 1i9b s ARG 15 Ca 0.67 -1.11 0.32 0.00 -0.52 0.00 0.00 55.73 55.09 1i9b s ARG 15 Cb -0.21 -1.37 1.77 0.00 0.52 0.00 0.00 34.95 35.66 1i9b s ARG 15 CO 0.44 -1.13 2.05 -1.35 0.02 0.00 0.00 175.30 175.33 1i9b h PRO 16 N 7.49 0.00 -0.03 3.54 0.11 -1.80 -1.50 132.00 139.81 1i9b h PRO 16 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1i9b h PRO 16 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1i9b h PRO 16 CO 0.35 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.89 1i9b n ASP 17 N -3.25 1.34 -4.15 -2.05 8.00 -1.26 -4.21 116.55 110.97 1i9b n ASP 17 Ca -0.00 -1.47 -0.33 0.00 0.71 0.00 0.00 54.79 53.70 1i9b n ASP 17 Cb 0.34 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.28 1i9b n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i9b s VAL 18 N -1.98 2.42 0.11 2.53 1.01 -0.57 -5.09 120.40 118.84 1i9b s VAL 18 Ca 0.38 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 1i9b s VAL 18 Cb 0.21 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1i9b s VAL 18 CO 0.33 0.32 1.65 -0.51 0.00 0.00 0.00 175.10 176.89 1i9b s ILE 19 N 1.28 2.84 0.00 2.22 2.07 -1.26 -4.82 121.20 123.53 1i9b s ILE 19 Ca 0.01 0.42 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 1i9b s ILE 19 Cb -0.16 -3.27 -0.05 0.00 0.13 0.00 0.00 42.46 39.11 1i9b s ILE 19 CO -0.08 0.01 1.11 -2.65 -1.91 0.00 0.00 174.94 171.42 1i9b n PRO 20 N 5.11 0.45 -2.62 3.50 -0.02 -1.26 -4.89 135.00 135.27 1i9b n PRO 20 Ca 0.15 -0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1i9b n PRO 20 Cb 0.40 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 1i9b n PRO 20 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i9b s THR 21 N 2.24 4.09 -0.36 3.45 -1.32 -1.26 -4.87 115.64 117.60 1i9b s THR 21 Ca 0.13 1.83 -0.05 0.00 -1.21 0.00 0.00 61.69 62.39 1i9b s THR 21 Cb 0.06 -4.17 0.07 0.00 -1.51 0.00 0.00 72.50 66.95 1i9b s THR 21 CO 0.00 0.33 0.14 -1.10 -2.21 0.00 0.00 174.62 171.78 1i9b s GLN 22 N -0.41 2.44 3.29 7.08 -0.21 -1.24 -5.02 119.66 125.59 1i9b s GLN 22 Ca 0.47 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.45 1i9b s GLN 22 Cb -0.27 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.24 1i9b s GLN 22 CO 0.33 -0.81 0.00 0.54 -2.12 0.00 0.00 175.29 173.23 1i9b n ARG 23 N 4.75 0.00 0.00 2.91 3.00 -1.26 -1.83 116.66 124.22 1i9b n ARG 23 Ca -0.10 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 57.83 1i9b n ARG 23 Cb 0.43 0.00 0.51 0.00 0.00 0.00 0.00 32.46 33.40 1i9b n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i9b n ASP 24 N -2.64 0.00 -4.70 0.55 8.00 -1.26 -4.75 116.55 111.75 1i9b n ASP 24 Ca 0.00 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 1i9b n ASP 24 Cb 0.00 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1i9b n ASP 24 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1i9b s ARG 25 N -2.07 4.28 0.95 -1.24 0.52 -0.76 -4.79 118.95 115.84 1i9b s ARG 25 Ca 0.25 2.09 -0.12 0.00 -0.52 0.00 0.00 55.73 57.43 1i9b s ARG 25 Cb 0.12 -3.42 0.16 0.00 0.52 0.00 0.00 34.95 32.33 1i9b s ARG 25 CO 0.21 -0.55 1.10 -2.14 0.02 0.00 0.00 175.30 173.94 1i9b s PRO 26 N 1.84 0.81 -0.15 3.54 0.02 -1.19 -3.64 135.00 136.23 1i9b s PRO 26 Ca 0.66 0.55 -0.18 0.00 0.02 0.00 0.00 61.00 62.05 1i9b s PRO 26 Cb -0.36 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1i9b s PRO 26 CO 0.29 -2.48 0.46 0.08 -0.33 0.00 0.00 177.00 175.02 1i9b s VAL 27 N -3.02 5.18 -0.50 3.83 1.01 0.34 -4.79 120.40 122.45 1i9b s VAL 27 Ca 0.64 0.88 -0.23 0.00 0.00 0.00 0.00 61.98 63.28 1i9b s VAL 27 Cb -0.18 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1i9b s VAL 27 CO 0.57 0.29 0.82 0.00 0.00 0.00 0.00 175.10 176.78 1i9b s ALA 28 N 0.91 3.25 -0.18 5.51 0.00 -1.26 -1.71 121.76 128.28 1i9b s ALA 28 Ca 0.24 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 1i9b s ALA 28 Cb -0.15 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1i9b s ALA 28 CO 0.09 -2.13 -0.04 0.08 0.00 0.00 0.00 175.76 173.77 1i9b s VAL 29 N 3.44 3.71 -0.14 0.00 1.01 -0.30 -4.28 120.40 123.84 1i9b s VAL 29 Ca 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1i9b s VAL 29 Cb -0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1i9b s VAL 29 CO 0.19 0.46 -0.00 -0.94 0.00 0.00 0.00 175.10 174.81 1i9b s SER 30 N 0.77 5.12 0.01 3.32 1.04 0.15 -1.65 113.70 122.47 1i9b s SER 30 Ca -0.01 -0.00 0.07 0.00 0.48 0.00 0.00 55.95 56.48 1i9b s SER 30 Cb -0.15 -1.75 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 1i9b s SER 30 CO 0.02 0.23 -0.20 -0.69 0.98 0.00 0.00 173.24 173.57 1i9b s VAL 31 N 0.04 2.57 -0.26 5.02 1.01 -0.89 -1.43 120.40 126.45 1i9b s VAL 31 Ca 0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1i9b s VAL 31 Cb -0.13 -2.02 0.15 0.00 0.00 0.00 0.00 36.38 34.38 1i9b s VAL 31 CO 0.02 0.45 0.46 -0.55 0.00 0.00 0.00 175.10 175.48 1i9b s SER 32 N -1.08 -0.37 0.02 3.32 0.15 -0.41 -4.15 113.70 111.19 1i9b s SER 32 Ca 0.12 0.54 -0.21 0.00 0.70 0.00 0.00 55.95 57.11 1i9b s SER 32 Cb -0.10 1.51 -0.06 0.00 -1.71 0.00 0.00 66.02 65.66 1i9b s SER 32 CO 0.02 -0.28 0.61 -0.76 1.20 0.00 0.00 173.24 174.04 1i9b s LEU 33 N 2.66 4.44 -0.26 3.45 1.43 -1.26 -1.64 118.68 127.52 1i9b s LEU 33 Ca 0.14 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 1i9b s LEU 33 Cb -0.15 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.18 1i9b s LEU 33 CO -0.17 0.13 -0.08 -0.54 0.23 0.00 0.00 176.35 175.92 1i9b s LYS 34 N -0.36 1.93 0.12 1.70 -0.14 -0.83 -4.93 119.74 117.23 1i9b s LYS 34 Ca 0.31 -1.24 -0.31 0.00 -1.36 0.00 0.00 55.97 53.38 1i9b s LYS 34 Cb -0.19 -2.78 -0.07 0.00 -1.68 0.00 0.00 37.83 33.11 1i9b s LYS 34 CO 0.18 -0.61 1.30 -0.06 -0.76 0.00 0.00 175.35 175.41 1i9b s PHE 35 N 1.21 3.32 -0.15 3.18 0.40 -1.26 -0.98 117.98 123.70 1i9b s PHE 35 Ca -0.06 1.14 0.14 0.00 -0.60 0.00 0.00 56.93 57.54 1i9b s PHE 35 Cb -0.19 -3.57 -0.19 0.00 0.51 0.00 0.00 43.02 39.58 1i9b s PHE 35 CO -0.06 -1.87 0.05 -0.89 0.70 0.00 0.00 175.22 173.16 1i9b n ILE 36 N 3.62 1.05 -3.56 0.64 2.08 -0.52 -3.35 119.36 119.33 1i9b n ILE 36 Ca 0.09 -0.65 -0.08 0.00 0.56 0.00 0.00 62.75 62.67 1i9b n ILE 36 Cb 0.44 -0.59 -0.03 0.00 -0.75 0.00 0.00 39.64 38.70 1i9b n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1i9b s ASN 37 N -4.88 -0.30 -0.21 4.38 3.84 -1.03 -0.35 114.94 116.40 1i9b s ASN 37 Ca -0.08 0.15 0.01 0.00 0.21 0.00 0.00 52.86 53.15 1i9b s ASN 37 Cb 0.05 0.28 0.05 0.00 -0.55 0.00 0.00 41.25 41.08 1i9b s ASN 37 CO 0.63 -0.40 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.83 1i9b s ILE 38 N -2.10 1.54 -0.20 -5.21 1.01 -1.26 -0.51 121.20 114.47 1i9b s ILE 38 Ca 0.04 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 1i9b s ILE 38 Cb -0.01 -1.71 -0.21 0.00 0.01 0.00 0.00 42.46 40.55 1i9b s ILE 38 CO -0.04 0.05 0.07 0.18 0.00 0.00 0.00 174.94 175.19 1i9b n LEU 39 N 4.70 2.54 -3.83 2.97 4.77 0.91 -4.49 117.00 124.57 1i9b n LEU 39 Ca -0.13 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1i9b n LEU 39 Cb 0.46 -1.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 1i9b n LEU 39 CO 0.19 0.76 -0.33 -1.61 -1.33 0.00 0.00 177.39 175.07 1i9b s GLU 40 N -2.51 0.02 0.03 3.23 2.02 -1.09 -4.98 118.70 115.42 1i9b s GLU 40 Ca -0.29 0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1i9b s GLU 40 Cb 0.08 -0.07 -0.02 0.00 0.10 0.00 0.00 34.13 34.22 1i9b s GLU 40 CO 0.66 -0.06 -0.13 0.08 0.02 0.00 0.00 175.26 175.82 1i9b s VAL 41 N 0.38 1.03 -0.25 2.63 1.01 -1.26 -1.12 120.40 122.82 1i9b s VAL 41 Ca -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1i9b s VAL 41 Cb -0.04 -0.93 0.10 0.00 0.00 0.00 0.00 36.38 35.50 1i9b s VAL 41 CO -0.01 0.01 0.17 0.21 0.00 0.00 0.00 175.10 175.48 1i9b s ASN 42 N -1.04 2.55 0.45 3.32 3.84 -1.04 -5.00 114.94 118.01 1i9b s ASN 42 Ca 0.01 -0.86 0.25 0.00 0.21 0.00 0.00 52.86 52.46 1i9b s ASN 42 Cb -0.07 -0.03 0.90 0.00 -0.55 0.00 0.00 41.25 41.49 1i9b s ASN 42 CO 0.01 -0.39 1.81 -0.08 -2.79 0.00 0.00 177.10 175.66 1i9b h GLU 43 N 8.37 0.00 -0.16 0.43 4.81 -1.88 0.26 114.58 126.40 1i9b h GLU 43 Ca -0.17 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1i9b h GLU 43 Cb 1.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1i9b h GLU 43 CO 0.36 0.20 -0.22 0.82 -0.73 0.00 0.00 179.01 179.45 1i9b h ILE 44 N 0.00 1.35 -0.01 2.32 1.08 -1.97 -3.30 117.51 116.98 1i9b h ILE 44 Ca -0.00 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1i9b h ILE 44 Cb 0.77 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1i9b h ILE 44 CO 0.03 0.42 -0.63 0.35 -0.69 0.00 0.00 178.15 177.63 1i9b n THR 45 N -4.46 0.00 -3.50 -0.27 -2.24 -1.17 -5.00 114.28 97.64 1i9b n THR 45 Ca -0.06 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 1i9b n THR 45 Cb 0.42 0.86 0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1i9b n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i9b n ASN 46 N -0.89 -3.80 -4.05 3.42 5.03 0.90 -4.94 115.26 110.92 1i9b n ASN 46 Ca 0.07 -0.78 -0.21 0.00 0.87 0.00 0.00 54.58 54.53 1i9b n ASN 46 Cb 0.38 -4.51 -0.15 0.00 -1.02 0.00 0.00 39.78 34.47 1i9b n ASN 46 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1i9b s GLU 47 N -5.36 1.07 0.02 3.52 2.02 -1.10 -2.59 118.70 116.29 1i9b s GLU 47 Ca 0.23 -0.41 0.06 0.00 0.02 0.00 0.00 54.97 54.88 1i9b s GLU 47 Cb -0.05 -1.00 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 1i9b s GLU 47 CO 0.78 0.20 -0.19 0.08 0.02 0.00 0.00 175.26 176.15 1i9b s VAL 48 N -0.07 1.54 -0.31 2.63 1.01 -0.12 -2.50 120.40 122.59 1i9b s VAL 48 Ca 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1i9b s VAL 48 Cb -0.07 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 35.06 1i9b s VAL 48 CO 0.00 0.27 -0.01 -0.62 0.00 0.00 0.00 175.10 174.75 1i9b s ASP 49 N -0.87 4.72 0.16 3.32 -1.08 -0.27 -0.54 116.67 122.11 1i9b s ASP 49 Ca 0.07 -1.66 0.07 0.00 -0.52 0.00 0.00 52.55 50.51 1i9b s ASP 49 Cb -0.08 -1.64 -0.04 0.00 -1.46 0.00 0.00 42.92 39.70 1i9b s ASP 49 CO 0.01 -0.30 -0.14 0.54 0.52 0.00 0.00 175.17 175.80 1i9b s VAL 50 N 1.08 1.53 -0.04 1.11 0.11 -0.89 -0.06 120.40 123.24 1i9b s VAL 50 Ca -0.01 -1.99 0.06 0.00 -2.93 0.00 0.00 61.98 57.12 1i9b s VAL 50 Cb -0.20 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 1i9b s VAL 50 CO -0.05 -0.52 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.28 1i9b s VAL 51 N -2.63 2.34 0.18 2.04 1.01 0.33 -1.18 120.40 122.50 1i9b s VAL 51 Ca 0.16 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1i9b s VAL 51 Cb -0.02 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1i9b s VAL 51 CO 0.05 0.58 0.69 0.72 0.00 0.00 0.00 175.10 177.13 1i9b s PHE 52 N -0.52 -0.39 -0.32 5.22 -0.12 0.09 -1.43 117.98 120.51 1i9b s PHE 52 Ca 0.07 0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.93 1i9b s PHE 52 Cb -0.11 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1i9b s PHE 52 CO 0.01 -0.94 0.23 -1.58 -0.05 0.00 0.00 175.22 172.89 1i9b s TRP 53 N -3.71 3.23 -1.27 3.49 0.51 -0.15 0.15 118.94 121.18 1i9b s TRP 53 Ca 0.05 -0.11 -0.11 0.00 -2.12 0.00 0.00 56.10 53.81 1i9b s TRP 53 Cb -0.03 -2.45 0.16 0.00 -0.81 0.00 0.00 33.47 30.34 1i9b s TRP 53 CO -0.06 -0.30 1.78 0.94 -0.51 0.00 0.00 176.95 178.80 1i9b n GLN 54 N 5.10 3.51 -1.72 4.98 7.27 -0.62 -1.95 117.38 133.95 1i9b n GLN 54 Ca -0.13 -3.55 -0.40 0.00 0.07 0.00 0.00 57.00 52.99 1i9b n GLN 54 Cb 0.50 -2.99 -0.03 0.00 2.41 0.00 0.00 30.24 30.14 1i9b n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1i9b s GLN 55 N 0.91 2.74 0.10 3.69 0.74 -0.65 -4.09 119.66 123.11 1i9b s GLN 55 Ca 0.41 1.51 0.08 0.00 0.05 0.00 0.00 55.36 57.41 1i9b s GLN 55 Cb 0.07 -4.42 -0.04 0.00 1.10 0.00 0.00 33.01 29.72 1i9b s GLN 55 CO 0.00 -2.55 -0.17 0.99 -0.55 0.00 0.00 175.29 173.01 1i9b s THR 56 N 9.51 2.91 -0.14 -0.34 2.01 0.28 -1.28 115.64 128.59 1i9b s THR 56 Ca 0.91 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1i9b s THR 56 Cb -0.23 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.00 1i9b s THR 56 CO 0.30 0.15 0.37 -0.89 -0.69 0.00 0.00 174.62 173.86 1i9b s THR 57 N -1.11 -0.00 0.39 -0.82 2.01 -0.52 -1.59 115.64 114.01 1i9b s THR 57 Ca 0.18 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 1i9b s THR 57 Cb -0.11 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 71.94 1i9b s THR 57 CO 0.10 0.00 0.77 -1.66 -0.69 0.00 0.00 174.62 173.14 1i9b s TRP 58 N 0.27 0.23 -0.06 4.92 -2.14 -0.89 -0.67 118.94 120.60 1i9b s TRP 58 Ca -0.01 -0.89 0.03 0.00 2.66 0.00 0.00 56.10 57.90 1i9b s TRP 58 Cb -0.03 0.78 0.00 0.00 -3.10 0.00 0.00 33.47 31.13 1i9b s TRP 58 CO -0.00 -1.58 -0.16 0.45 -2.66 0.00 0.00 176.95 173.00 1i9b s SER 59 N -3.10 2.13 -0.34 -2.66 0.15 -1.26 -0.47 113.70 108.15 1i9b s SER 59 Ca 0.17 -0.36 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 1i9b s SER 59 Cb -0.05 -0.80 0.11 0.00 -1.71 0.00 0.00 66.02 63.58 1i9b s SER 59 CO 0.13 0.11 0.13 -0.62 1.20 0.00 0.00 173.24 174.19 1i9b s ASP 60 N 0.32 3.89 0.56 5.45 -1.08 0.26 -4.86 116.67 121.21 1i9b s ASP 60 Ca -0.10 -1.88 0.37 0.00 -0.52 0.00 0.00 52.55 50.42 1i9b s ASP 60 Cb -0.14 -0.87 1.85 0.00 -1.46 0.00 0.00 42.92 42.30 1i9b s ASP 60 CO 0.04 -0.38 2.12 0.03 0.52 0.00 0.00 175.17 177.50 1i9b h ARG 61 N 7.73 0.00 0.00 4.34 3.08 -1.85 -2.35 114.38 125.33 1i9b h ARG 61 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1i9b h ARG 61 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1i9b h ARG 61 CO 0.46 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.61 1i9b n THR 62 N -2.93 0.44 0.83 2.04 -2.24 -1.26 -1.98 114.28 109.18 1i9b n THR 62 Ca -0.01 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1i9b n THR 62 Cb 0.15 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 1i9b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i9b n LEU 63 N -1.33 0.81 -4.76 3.22 4.77 -0.88 -4.98 117.00 113.86 1i9b n LEU 63 Ca 0.09 -0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.30 1i9b n LEU 63 Cb 0.18 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1i9b n LEU 63 CO 0.16 0.20 0.96 0.00 -1.33 0.00 0.00 177.39 177.37 1i9b s ALA 64 N -3.08 2.89 0.08 -1.18 0.00 -0.84 -4.66 121.76 114.97 1i9b s ALA 64 Ca 0.06 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 1i9b s ALA 64 Cb 0.16 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1i9b s ALA 64 CO 0.86 -1.19 0.28 1.67 0.00 0.00 0.00 175.76 177.38 1i9b s TRP 65 N -1.35 -0.03 -0.40 0.00 -2.14 -0.01 -4.94 118.94 110.07 1i9b s TRP 65 Ca 0.69 -0.26 -0.28 0.00 2.66 0.00 0.00 56.10 58.91 1i9b s TRP 65 Cb -0.38 0.08 -0.01 0.00 -3.10 0.00 0.00 33.47 30.05 1i9b s TRP 65 CO 0.45 -0.56 1.75 1.21 -2.66 0.00 0.00 176.95 177.14 1i9b s ASN 66 N -2.53 5.85 0.00 -2.66 3.04 -1.26 -4.68 114.94 112.69 1i9b s ASN 66 Ca 0.00 1.04 0.14 0.00 0.04 0.00 0.00 52.86 54.08 1i9b s ASN 66 Cb 0.02 -2.53 0.46 0.00 -1.54 0.00 0.00 41.25 37.66 1i9b s ASN 66 CO -0.08 -1.79 1.35 -0.24 -3.04 0.00 0.00 177.10 173.30 1i9b n SER 67 N 10.51 1.81 -0.35 -4.21 2.88 -1.26 -4.54 113.62 118.47 1i9b n SER 67 Ca 0.21 -1.90 0.25 0.00 -1.33 0.00 0.00 58.87 56.10 1i9b n SER 67 Cb 0.48 -0.19 0.50 0.00 -0.75 0.00 0.00 64.21 64.24 1i9b n SER 67 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i9b h SER 68 N 2.11 0.49 -0.03 -3.46 4.64 -1.94 -2.93 113.55 112.43 1i9b h SER 68 Ca 0.00 0.16 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 1i9b h SER 68 Cb 0.48 0.10 -0.31 0.00 -0.31 0.00 0.00 62.40 62.36 1i9b h SER 68 CO 0.00 -0.08 -0.82 1.41 -0.87 0.00 0.00 176.83 176.48 1i9b n HIS 69 N -4.91 0.02 -3.88 4.77 8.25 -1.26 -5.09 115.22 113.12 1i9b n HIS 69 Ca 0.31 -0.65 -0.11 0.00 -0.26 0.00 0.00 57.72 57.01 1i9b n HIS 69 Cb 1.00 0.07 -0.11 0.00 1.12 0.00 0.00 29.99 32.08 1i9b n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1i9b s SER 70 N -1.82 0.04 0.25 0.41 1.04 -1.11 -4.52 113.70 107.98 1i9b s SER 70 Ca 0.23 -0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.29 1i9b s SER 70 Cb 0.28 0.19 -0.14 0.00 0.10 0.00 0.00 66.02 66.46 1i9b s SER 70 CO -0.11 -0.28 0.26 -2.65 0.98 0.00 0.00 173.24 171.44 1i9b n PRO 71 N 1.83 0.00 0.02 4.02 -0.02 -1.26 -4.56 135.00 135.03 1i9b n PRO 71 Ca -0.21 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.14 1i9b n PRO 71 Cb 0.56 -0.83 -0.14 0.00 -0.02 0.00 0.00 33.50 33.07 1i9b n PRO 71 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1i9b h ASP 72 N 0.57 0.21 -4.17 2.55 5.19 -1.95 -3.45 116.42 115.37 1i9b h ASP 72 Ca -0.27 -0.36 -0.36 0.00 -0.62 0.00 0.00 57.03 55.42 1i9b h ASP 72 Cb 1.20 -0.07 -0.18 0.00 0.18 0.00 0.00 39.33 40.47 1i9b h ASP 72 CO 0.44 1.31 -0.74 -1.10 -3.12 0.00 0.00 179.24 176.03 1i9b s GLN 73 N -2.61 0.95 0.06 3.56 -0.21 -1.26 0.68 119.66 120.84 1i9b s GLN 73 Ca -0.09 -1.23 -0.13 0.00 0.02 0.00 0.00 55.36 53.93 1i9b s GLN 73 Cb 0.08 -0.71 0.02 0.00 1.00 0.00 0.00 33.01 33.40 1i9b s GLN 73 CO 0.82 0.12 0.29 0.14 -2.12 0.00 0.00 175.29 174.55 1i9b s VAL 74 N -2.42 0.09 -0.28 1.09 -7.23 -0.70 -4.98 120.40 105.98 1i9b s VAL 74 Ca 0.08 -0.75 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 1i9b s VAL 74 Cb -0.03 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1i9b s VAL 74 CO 0.01 -0.42 0.37 -0.44 -0.31 0.00 0.00 175.10 174.32 1i9b s SER 75 N -2.29 6.24 -0.07 4.85 0.01 -1.26 -0.84 113.70 120.34 1i9b s SER 75 Ca -0.02 0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.50 1i9b s SER 75 Cb 0.00 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1i9b s SER 75 CO -0.06 -0.20 -0.16 -0.69 0.41 0.00 0.00 173.24 172.54 1i9b s VAL 76 N 2.07 2.90 0.34 3.43 1.01 0.13 -4.91 120.40 125.36 1i9b s VAL 76 Ca 0.15 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1i9b s VAL 76 Cb -0.16 -2.14 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 1i9b s VAL 76 CO 0.10 0.57 1.33 -2.84 0.00 0.00 0.00 175.10 174.27 1i9b s PRO 77 N -0.43 4.30 0.48 2.72 0.02 -1.26 0.20 135.00 141.02 1i9b s PRO 77 Ca 0.05 2.27 0.23 0.00 0.02 0.00 0.00 61.00 63.57 1i9b s PRO 77 Cb -0.12 -3.04 1.27 0.00 0.02 0.00 0.00 34.50 32.63 1i9b s PRO 77 CO 0.02 -0.26 1.90 0.82 -0.33 0.00 0.00 177.00 179.15 1i9b h ILE 78 N 3.00 0.66 0.00 2.83 1.08 -1.53 -0.86 117.51 122.69 1i9b h ILE 78 Ca -0.49 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1i9b h ILE 78 Cb 1.23 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1i9b h ILE 78 CO 0.65 0.04 0.00 -1.54 -0.69 0.00 0.00 178.15 176.61 1i9b n SER 79 N -4.40 0.38 -0.96 1.72 3.41 -1.26 -2.55 113.62 109.97 1i9b n SER 79 Ca 0.17 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1i9b n SER 79 Cb 0.75 -0.67 0.12 0.00 -0.26 0.00 0.00 64.21 64.15 1i9b n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i9b n SER 80 N -1.92 3.02 -4.41 4.04 7.64 -0.33 -4.80 113.62 116.86 1i9b n SER 80 Ca 0.03 -1.95 -0.21 0.00 1.01 0.00 0.00 58.87 57.76 1i9b n SER 80 Cb 0.22 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1i9b n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i9b s LEU 81 N -1.75 2.49 0.19 -3.43 1.43 -1.06 -4.56 118.68 111.99 1i9b s LEU 81 Ca 0.29 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.00 1i9b s LEU 81 Cb 0.20 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.69 1i9b s LEU 81 CO 0.29 -0.31 0.75 0.86 0.23 0.00 0.00 176.35 178.17 1i9b s TRP 82 N -3.00 3.80 0.02 0.29 -0.00 -1.26 -4.39 118.94 114.40 1i9b s TRP 82 Ca 0.28 1.53 0.03 0.00 -0.00 0.00 0.00 56.10 57.94 1i9b s TRP 82 Cb 0.03 -2.71 -0.01 0.00 -0.00 0.00 0.00 33.47 30.78 1i9b s TRP 82 CO 0.11 0.44 -0.08 0.08 -0.00 0.00 0.00 176.95 177.50 1i9b s VAL 83 N -1.30 0.65 0.24 5.86 1.01 -1.26 -5.03 120.40 120.56 1i9b s VAL 83 Ca 0.39 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1i9b s VAL 83 Cb -0.20 -0.60 -0.13 0.00 0.00 0.00 0.00 36.38 35.44 1i9b s VAL 83 CO 0.24 -0.03 1.52 -2.65 0.00 0.00 0.00 175.10 174.17 1i9b n PRO 84 N 2.30 2.30 -1.47 2.72 -0.02 -1.26 -4.86 135.00 134.71 1i9b n PRO 84 Ca -0.17 0.82 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 1i9b n PRO 84 Cb 0.56 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 1i9b n PRO 84 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1i9b n ASP 85 N 2.54 7.13 -4.76 2.55 5.75 -1.26 -4.95 116.55 123.55 1i9b n ASP 85 Ca 0.12 -2.88 -0.34 0.00 -0.01 0.00 0.00 54.79 51.68 1i9b n ASP 85 Cb 0.33 -1.38 0.03 0.00 -1.03 0.00 0.00 41.12 39.07 1i9b n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i9b s LEU 86 N -1.15 3.56 -0.15 -2.12 1.43 -1.26 -1.52 118.68 117.48 1i9b s LEU 86 Ca 0.62 2.19 -0.14 0.00 -1.03 0.00 0.00 54.13 55.77 1i9b s LEU 86 Cb 0.27 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.95 1i9b s LEU 86 CO -0.10 -1.56 0.40 0.00 0.23 0.00 0.00 176.35 175.32 1i9b s ALA 87 N -1.95 -0.98 -0.51 4.21 0.00 -0.80 -4.85 121.76 116.88 1i9b s ALA 87 Ca 0.72 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 53.57 1i9b s ALA 87 Cb -0.25 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.25 1i9b s ALA 87 CO 0.35 -0.19 0.88 0.00 0.00 0.00 0.00 175.76 176.81 1i9b s ALA 88 N 0.25 3.22 0.44 0.00 0.00 -1.26 -2.20 121.76 122.21 1i9b s ALA 88 Ca -0.00 -1.15 0.25 0.00 0.00 0.00 0.00 51.96 51.05 1i9b s ALA 88 Cb -0.03 -3.64 1.27 0.00 0.00 0.00 0.00 23.12 20.72 1i9b s ALA 88 CO 0.00 -2.21 1.76 1.88 0.00 0.00 0.00 175.76 177.19 1i9b h TYR 89 N 9.18 0.46 -0.39 0.00 0.05 -0.47 -0.48 116.97 125.31 1i9b h TYR 89 Ca -0.26 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.44 1i9b h TYR 89 Cb 1.08 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.63 1i9b h TYR 89 CO 0.87 0.01 0.05 0.27 -1.05 0.00 0.00 178.16 178.30 1i9b n ASN 90 N -4.51 3.72 -4.74 3.88 6.94 -1.26 -4.98 115.26 114.31 1i9b n ASN 90 Ca 0.27 -3.27 -0.41 0.00 -0.02 0.00 0.00 54.58 51.15 1i9b n ASN 90 Cb 1.05 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 1i9b n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i9b s ALA 91 N -2.98 3.46 -0.92 -2.53 0.00 -0.19 -1.38 121.76 117.22 1i9b s ALA 91 Ca 0.46 1.01 0.19 0.00 0.00 0.00 0.00 51.96 53.62 1i9b s ALA 91 Cb 0.38 -3.42 -0.21 0.00 0.00 0.00 0.00 23.12 19.86 1i9b s ALA 91 CO 0.07 -0.41 0.83 -0.89 0.00 0.00 0.00 175.76 175.37 1i9b n ILE 92 N 2.19 0.00 -4.12 0.00 5.41 0.22 -4.87 119.36 118.17 1i9b n ILE 92 Ca 0.04 -0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1i9b n ILE 92 Cb 0.44 0.99 -0.09 0.00 -0.71 0.00 0.00 39.64 40.27 1i9b n ILE 92 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i9b s SER 93 N -2.86 0.15 0.57 4.38 1.04 -1.22 -4.95 113.70 110.81 1i9b s SER 93 Ca 0.07 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.23 1i9b s SER 93 Cb 0.15 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1i9b s SER 93 CO 0.80 -0.85 0.91 -1.59 0.98 0.00 0.00 173.24 173.49 1i9b s LYS 94 N -4.08 3.31 0.16 4.02 -2.85 -1.26 -4.62 119.74 114.42 1i9b s LYS 94 Ca 0.29 0.31 -0.31 0.00 -1.00 0.00 0.00 55.97 55.25 1i9b s LYS 94 Cb 0.06 -2.24 -0.10 0.00 -2.06 0.00 0.00 37.83 33.49 1i9b s LYS 94 CO 0.07 -0.52 1.56 -2.14 0.10 0.00 0.00 175.35 174.42 1i9b s PRO 95 N -4.99 4.22 -0.67 1.78 0.02 -1.26 -4.80 135.00 129.31 1i9b s PRO 95 Ca 0.52 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.75 1i9b s PRO 95 Cb -0.11 -3.19 0.17 0.00 0.02 0.00 0.00 34.50 31.40 1i9b s PRO 95 CO 0.48 -0.60 0.59 -2.00 -0.33 0.00 0.00 177.00 175.14 1i9b s GLU 96 N 1.23 3.14 -0.20 5.54 2.12 -0.78 -4.98 118.70 124.77 1i9b s GLU 96 Ca 0.70 -2.14 -0.29 0.00 0.36 0.00 0.00 54.97 53.59 1i9b s GLU 96 Cb -0.43 -4.24 -0.02 0.00 0.26 0.00 0.00 34.13 29.70 1i9b s GLU 96 CO 0.31 -1.28 1.49 0.08 -0.54 0.00 0.00 175.26 175.33 1i9b s VAL 97 N 0.74 3.88 -0.94 3.70 1.01 -1.26 -2.27 120.40 125.26 1i9b s VAL 97 Ca 0.12 1.02 0.25 0.00 0.00 0.00 0.00 61.98 63.37 1i9b s VAL 97 Cb -0.20 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1i9b s VAL 97 CO -0.04 -0.27 1.45 0.18 0.00 0.00 0.00 175.10 176.43 1i9b n LEU 98 N 7.74 0.48 -4.53 3.92 4.77 0.04 -4.95 117.00 124.47 1i9b n LEU 98 Ca 0.17 0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.98 1i9b n LEU 98 Cb 0.45 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1i9b n LEU 98 CO 0.62 0.09 -0.41 0.42 -1.33 0.00 0.00 177.39 176.78 1i9b s THR 99 N -3.03 2.30 0.21 -5.08 -4.23 -1.26 -4.97 115.64 99.58 1i9b s THR 99 Ca 0.11 -2.25 -0.32 0.00 -1.18 0.00 0.00 61.69 58.04 1i9b s THR 99 Cb 0.17 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.30 1i9b s THR 99 CO 0.69 -0.25 1.34 -2.65 -0.54 0.00 0.00 174.62 173.21 1i9b n PRO 100 N -0.75 1.74 -1.80 3.99 -0.02 -1.26 -4.83 135.00 132.07 1i9b n PRO 100 Ca -0.05 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 1i9b n PRO 100 Cb 0.63 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 1i9b n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i9b n GLN 101 N 2.06 3.92 -4.45 -0.52 6.02 -1.26 -4.89 117.38 118.26 1i9b n GLN 101 Ca 0.13 -2.95 -0.31 0.00 -0.01 0.00 0.00 57.00 53.86 1i9b n GLN 101 Cb 0.29 -2.82 -0.11 0.00 1.02 0.00 0.00 30.24 28.62 1i9b n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i9b s LEU 102 N -0.50 3.02 0.38 1.08 1.43 -1.26 -1.31 118.68 121.52 1i9b s LEU 102 Ca 0.56 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 1i9b s LEU 102 Cb 0.16 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1i9b s LEU 102 CO -0.07 0.25 0.11 0.00 0.23 0.00 0.00 176.35 176.88 1i9b s ALA 103 N -1.03 3.43 -0.15 4.21 0.00 0.13 -4.70 121.76 123.65 1i9b s ALA 103 Ca 0.18 -2.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.12 1i9b s ALA 103 Cb -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1i9b s ALA 103 CO 0.09 -0.05 -0.14 0.50 0.00 0.00 0.00 175.76 176.16 1i9b s ARG 104 N -3.83 3.29 -0.16 0.00 6.06 0.31 -0.70 118.95 123.93 1i9b s ARG 104 Ca 0.38 -0.72 0.00 0.00 -2.50 0.00 0.00 55.73 52.90 1i9b s ARG 104 Cb 0.02 -2.65 0.00 0.00 0.06 0.00 0.00 34.95 32.38 1i9b s ARG 104 CO 0.21 0.09 -0.16 0.08 -2.50 0.00 0.00 175.30 173.02 1i9b s VAL 105 N 0.66 2.56 0.07 7.11 1.01 -0.02 -0.93 120.40 130.86 1i9b s VAL 105 Ca -0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1i9b s VAL 105 Cb -0.16 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 1i9b s VAL 105 CO 0.02 0.52 0.46 -0.69 0.00 0.00 0.00 175.10 175.41 1i9b s VAL 106 N 0.89 4.97 0.63 2.92 1.01 -0.27 -1.72 120.40 128.84 1i9b s VAL 106 Ca -0.04 0.77 0.22 0.00 0.00 0.00 0.00 61.98 62.93 1i9b s VAL 106 Cb -0.15 -3.72 0.27 0.00 0.00 0.00 0.00 36.38 32.78 1i9b s VAL 106 CO -0.02 0.41 1.60 0.77 0.00 0.00 0.00 175.10 177.86 1i9b h SER 107 N 4.12 0.00 -0.23 3.32 4.64 -0.05 0.22 113.55 125.58 1i9b h SER 107 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1i9b h SER 107 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1i9b h SER 107 CO 0.64 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1i9b n ASP 108 N -3.08 1.39 0.00 4.97 5.75 -1.26 -0.83 116.55 123.50 1i9b n ASP 108 Ca 0.06 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1i9b n ASP 108 Cb 0.80 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1i9b n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i9b n GLY 109 N 0.97 0.75 3.73 6.12 0.00 0.78 -4.73 105.19 112.82 1i9b n GLY 109 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1i9b n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9b s GLU 110 N -0.53 4.70 -0.08 1.61 2.56 -1.20 0.91 118.70 126.67 1i9b s GLU 110 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 54.97 56.49 1i9b s GLU 110 Cb 0.00 -3.36 -0.01 0.00 2.00 0.00 0.00 34.13 32.76 1i9b s GLU 110 CO 0.00 0.22 -0.24 0.08 -0.56 0.00 0.00 175.26 174.76 1i9b s VAL 111 N -0.09 2.02 -0.16 3.70 1.01 0.37 -1.11 120.40 126.15 1i9b s VAL 111 Ca 0.47 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1i9b s VAL 111 Cb -0.24 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1i9b s VAL 111 CO 0.30 0.56 -0.09 -0.76 0.00 0.00 0.00 175.10 175.11 1i9b s LEU 112 N 0.07 1.68 -0.17 3.92 2.01 -0.11 -2.08 118.68 124.00 1i9b s LEU 112 Ca -0.10 -0.59 0.00 0.00 0.01 0.00 0.00 54.13 53.45 1i9b s LEU 112 Cb -0.16 -1.02 0.04 0.00 0.01 0.00 0.00 46.19 45.06 1i9b s LEU 112 CO 0.06 -0.13 -0.10 -0.47 1.01 0.00 0.00 176.35 176.71 1i9b s TYR 113 N 1.57 2.18 -0.52 0.29 5.04 -0.62 -0.53 117.35 124.76 1i9b s TYR 113 Ca 0.02 -1.36 0.04 0.00 -2.44 0.00 0.00 57.07 53.33 1i9b s TYR 113 Cb -0.14 -1.55 0.17 0.00 0.35 0.00 0.00 41.96 40.78 1i9b s TYR 113 CO -0.09 -0.69 0.38 1.41 -1.34 0.00 0.00 175.55 175.23 1i9b s MET 114 N 1.48 1.52 0.39 4.97 -2.45 -1.26 -0.56 119.30 123.38 1i9b s MET 114 Ca 0.01 -2.54 -0.15 0.00 -1.25 0.00 0.00 55.69 51.76 1i9b s MET 114 Cb -0.15 -2.26 -0.08 0.00 1.25 0.00 0.00 34.83 33.59 1i9b s MET 114 CO -0.09 -1.32 0.82 -1.25 1.05 0.00 0.00 175.02 174.22 1i9b s PRO 115 N -0.45 3.97 -0.25 4.11 0.04 -1.26 -4.79 135.00 136.37 1i9b s PRO 115 Ca 0.28 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 1i9b s PRO 115 Cb -0.03 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 1i9b s PRO 115 CO -0.16 0.01 0.48 0.45 0.04 0.00 0.00 177.00 177.82 1i9b s SER 116 N -2.61 6.41 -0.06 6.66 0.15 -1.26 -1.58 113.70 121.40 1i9b s SER 116 Ca 0.55 0.49 0.05 0.00 0.70 0.00 0.00 55.95 57.75 1i9b s SER 116 Cb -0.10 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 1i9b s SER 116 CO 0.22 -0.24 -0.22 -0.63 1.20 0.00 0.00 173.24 173.57 1i9b s ILE 117 N 2.10 2.29 -0.15 6.45 1.01 0.12 -0.78 121.20 132.25 1i9b s ILE 117 Ca 0.20 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1i9b s ILE 117 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1i9b s ILE 117 CO 0.09 0.57 -0.01 -0.60 0.00 0.00 0.00 174.94 174.99 1i9b s ARG 118 N -0.21 3.64 -0.04 2.79 3.52 -0.96 -0.73 118.95 126.96 1i9b s ARG 118 Ca -0.02 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1i9b s ARG 118 Cb -0.13 -2.96 0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1i9b s ARG 118 CO 0.03 0.31 0.72 -1.14 -0.81 0.00 0.00 175.30 174.41 1i9b s GLN 119 N 0.19 1.02 0.02 5.12 0.74 -0.33 -1.86 119.66 124.56 1i9b s GLN 119 Ca -0.00 0.15 -0.05 0.00 0.05 0.00 0.00 55.36 55.50 1i9b s GLN 119 Cb -0.13 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 1i9b s GLN 119 CO 0.02 -0.34 0.25 1.03 -0.55 0.00 0.00 175.29 175.70 1i9b s ARG 120 N -1.53 3.54 0.11 1.67 0.52 -1.26 -2.10 118.95 119.89 1i9b s ARG 120 Ca -0.08 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1i9b s ARG 120 Cb -0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1i9b s ARG 120 CO 0.06 0.63 -0.09 -0.06 0.02 0.00 0.00 175.30 175.86 1i9b s PHE 121 N -1.36 1.03 -0.36 -0.53 0.40 0.30 0.70 117.98 118.16 1i9b s PHE 121 Ca 0.29 -0.77 -0.08 0.00 -0.60 0.00 0.00 56.93 55.77 1i9b s PHE 121 Cb -0.13 -0.56 0.04 0.00 0.51 0.00 0.00 43.02 42.87 1i9b s PHE 121 CO 0.18 -0.04 0.15 0.45 0.70 0.00 0.00 175.22 176.67 1i9b s SER 122 N -2.82 5.49 0.38 1.36 0.15 -0.48 -0.94 113.70 116.85 1i9b s SER 122 Ca 0.10 -1.13 -0.10 0.00 0.70 0.00 0.00 55.95 55.53 1i9b s SER 122 Cb 0.01 -1.93 0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1i9b s SER 122 CO -0.02 -0.37 0.68 0.00 1.20 0.00 0.00 173.24 174.73 1i9b s ASP 124 N -3.15 6.24 -0.06 0.00 -1.08 -1.26 -4.44 116.67 112.92 1i9b s ASP 124 Ca 0.22 0.87 0.21 0.00 -0.52 0.00 0.00 52.55 53.32 1i9b s ASP 124 Cb -0.03 -2.54 -0.29 0.00 -1.46 0.00 0.00 42.92 38.60 1i9b s ASP 124 CO 0.16 -1.50 0.41 0.52 0.52 0.00 0.00 175.17 175.27 1i9b n VAL 125 N 7.13 0.46 -1.59 1.11 0.31 -1.26 -3.66 118.33 120.82 1i9b n VAL 125 Ca 0.17 -0.61 -0.54 0.00 -0.01 0.00 0.00 64.34 63.36 1i9b n VAL 125 Cb 0.48 -0.17 -0.06 0.00 -0.91 0.00 0.00 33.84 33.17 1i9b n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1i9b n SER 126 N -2.44 1.51 0.00 4.52 3.41 -1.26 -1.27 113.62 118.09 1i9b n SER 126 Ca -0.12 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1i9b n SER 126 Cb 0.74 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1i9b n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9b n GLY 127 N 2.60 0.40 0.24 5.00 0.00 -1.26 -4.30 105.19 107.87 1i9b n GLY 127 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1i9b n GLY 127 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i9b h VAL 128 N 0.00 0.48 -1.94 1.61 2.07 -1.41 -1.80 116.25 115.26 1i9b h VAL 128 Ca 0.00 -0.04 -0.78 0.00 0.82 0.00 0.00 66.70 66.71 1i9b h VAL 128 Cb 0.00 0.37 -0.21 0.00 -1.52 0.00 0.00 31.29 29.93 1i9b h VAL 128 CO 0.00 0.02 1.56 -0.67 0.02 0.00 0.00 177.57 178.50 1i9b n ASP 129 N -5.30 6.67 -3.94 0.57 -0.08 -1.26 -0.27 116.55 112.93 1i9b n ASP 129 Ca 0.09 -3.33 -0.09 0.00 -1.51 0.00 0.00 54.79 49.95 1i9b n ASP 129 Cb 0.35 -1.33 -0.07 0.00 2.34 0.00 0.00 41.12 42.41 1i9b n ASP 129 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1i9b s THR 130 N -1.90 0.10 0.14 5.18 2.01 -0.69 -4.99 115.64 115.49 1i9b s THR 130 Ca 0.40 -1.36 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 1i9b s THR 130 Cb 0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1i9b s THR 130 CO -0.02 -0.45 1.49 -0.33 -0.69 0.00 0.00 174.62 174.62 1i9b h GLU 131 N 2.65 0.93 0.00 4.92 4.39 -1.90 -2.56 114.58 123.02 1i9b h GLU 131 Ca -0.33 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1i9b h GLU 131 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1i9b h GLU 131 CO 0.52 1.12 0.00 0.66 -1.16 0.00 0.00 179.01 180.15 1i9b h SER 132 N 0.76 0.00 -0.65 1.42 4.64 -1.96 -3.49 113.55 114.26 1i9b h SER 132 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1i9b h SER 132 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1i9b h SER 132 CO 0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1i9b n GLY 133 N 1.25 -0.20 3.77 -0.77 0.00 -0.96 -4.84 105.19 103.44 1i9b n GLY 133 Ca 0.05 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1i9b n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i9b s ALA 134 N -1.95 3.47 -0.29 4.61 0.00 0.45 -4.48 121.76 123.57 1i9b s ALA 134 Ca 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1i9b s ALA 134 Cb 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 23.12 22.08 1i9b s ALA 134 CO 0.00 0.24 0.03 0.99 0.00 0.00 0.00 175.76 177.02 1i9b s THR 135 N -2.21 1.47 -0.32 0.00 2.01 -1.25 -1.58 115.64 113.76 1i9b s THR 135 Ca 0.33 -1.55 -0.13 0.00 0.31 0.00 0.00 61.69 60.65 1i9b s THR 135 Cb -0.07 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1i9b s THR 135 CO 0.23 -0.43 0.26 0.00 -0.69 0.00 0.00 174.62 174.00 1i9b s ARG 137 N 1.81 3.83 -0.15 0.00 0.52 -1.26 0.13 118.95 123.84 1i9b s ARG 137 Ca 0.08 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1i9b s ARG 137 Cb -0.17 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1i9b s ARG 137 CO 0.11 0.48 -0.16 0.42 0.02 0.00 0.00 175.30 176.17 1i9b s ILE 138 N -0.17 1.68 -0.21 1.52 1.01 0.18 -4.84 121.20 120.38 1i9b s ILE 138 Ca 0.10 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 1i9b s ILE 138 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1i9b s ILE 138 CO 0.01 0.48 0.02 -0.54 0.00 0.00 0.00 174.94 174.91 1i9b s LYS 139 N 1.37 3.69 -0.03 2.79 1.02 -1.26 -1.09 119.74 126.23 1i9b s LYS 139 Ca 0.03 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.56 1i9b s LYS 139 Cb -0.13 -3.15 0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1i9b s LYS 139 CO -0.10 0.02 -0.07 0.96 -0.92 0.00 0.00 175.35 175.24 1i9b s ILE 140 N 1.01 0.66 0.32 2.17 -4.36 -0.82 0.35 121.20 120.53 1i9b s ILE 140 Ca 0.02 -0.26 -0.18 0.00 -0.26 0.00 0.00 60.65 59.97 1i9b s ILE 140 Cb -0.14 -0.61 0.03 0.00 1.25 0.00 0.00 42.46 42.99 1i9b s ILE 140 CO 0.02 0.22 0.74 -0.83 0.24 0.00 0.00 174.94 175.34 1i9b s GLY 141 N 0.41 0.14 0.45 6.27 0.00 -0.93 -1.82 107.32 111.84 1i9b s GLY 141 Ca -0.06 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 1i9b s GLY 141 CO 0.00 -0.21 1.21 -1.26 0.00 0.00 0.00 173.10 172.85 1i9b n SER 142 N -0.87 2.19 -0.01 1.64 2.88 -1.26 -1.91 113.62 116.28 1i9b n SER 142 Ca -0.06 1.05 -0.12 0.00 -1.33 0.00 0.00 58.87 58.42 1i9b n SER 142 Cb 0.59 -1.48 -0.14 0.00 -0.75 0.00 0.00 64.21 62.44 1i9b n SER 142 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1i9b h TRP 143 N 1.77 0.13 0.00 0.66 2.91 -1.60 -3.41 115.95 116.41 1i9b h TRP 143 Ca -0.48 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 59.45 1i9b h TRP 143 Cb 1.31 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.95 1i9b h TRP 143 CO 0.46 1.20 -0.66 0.25 -1.03 0.00 0.00 178.44 178.66 1i9b n THR 144 N -3.18 0.00 -3.84 2.65 -2.24 -1.26 -5.00 114.28 101.41 1i9b n THR 144 Ca -0.20 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 60.99 1i9b n THR 144 Cb 1.05 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.88 1i9b n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i9b s HIS 145 N -1.75 3.25 0.88 4.78 3.76 -1.26 -5.10 115.29 119.86 1i9b s HIS 145 Ca -0.00 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.85 1i9b s HIS 145 Cb 0.02 -2.17 0.17 0.00 1.11 0.00 0.00 32.58 31.71 1i9b s HIS 145 CO 0.11 0.05 1.22 -3.38 -0.85 0.00 0.00 174.74 171.89 1i9b s HIS 146 N 0.80 1.68 0.61 1.40 -3.43 -1.26 -4.59 115.29 110.50 1i9b s HIS 146 Ca 0.05 0.18 0.28 0.00 -0.80 0.00 0.00 55.06 54.77 1i9b s HIS 146 Cb -0.13 -3.77 1.44 0.00 -1.43 0.00 0.00 32.58 28.69 1i9b s HIS 146 CO 0.02 -2.33 1.84 0.66 -2.00 0.00 0.00 174.74 172.93 1i9b h SER 147 N -1.29 0.00 1.63 7.38 4.64 -0.88 -0.00 113.55 125.03 1i9b h SER 147 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1i9b h SER 147 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1i9b h SER 147 CO 0.40 0.00 -0.00 0.03 -0.87 0.00 0.00 176.83 176.39 1i9b h ARG 148 N 0.00 0.00 0.00 4.77 3.08 -1.92 -3.37 114.38 116.94 1i9b h ARG 148 Ca 0.19 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.02 1i9b h ARG 148 Cb 1.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1i9b h ARG 148 CO -0.00 0.00 -1.77 0.39 -1.07 0.00 0.00 179.97 177.52 1i9b n GLU 149 N -2.51 0.31 -4.59 0.04 1.02 -0.23 -3.14 120.64 111.54 1i9b n GLU 149 Ca 0.05 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 57.08 1i9b n GLU 149 Cb 0.46 -1.08 -0.16 0.00 -0.02 0.00 0.00 31.44 30.64 1i9b n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i9b s ILE 150 N -2.26 1.06 -0.04 -3.67 1.01 -0.18 0.13 121.20 117.25 1i9b s ILE 150 Ca -0.19 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1i9b s ILE 150 Cb 0.07 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1i9b s ILE 150 CO 0.26 0.31 -0.11 -0.94 0.00 0.00 0.00 174.94 174.47 1i9b s SER 151 N 0.04 1.53 0.00 3.58 1.04 -0.70 -3.56 113.70 115.63 1i9b s SER 151 Ca -0.02 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1i9b s SER 151 Cb -0.09 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 1i9b s SER 151 CO 0.01 0.07 -0.04 0.68 0.98 0.00 0.00 173.24 174.94 1i9b s VAL 152 N 0.33 3.86 -0.04 5.02 -7.23 -1.25 -1.15 120.40 119.94 1i9b s VAL 152 Ca -0.07 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 1i9b s VAL 152 Cb -0.11 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1i9b s VAL 152 CO 0.02 0.38 0.14 -1.81 -0.31 0.00 0.00 175.10 173.51 1i9b s ASP 153 N -1.49 -0.09 1.19 4.85 1.01 -0.66 -4.76 116.67 116.72 1i9b s ASP 153 Ca 0.18 0.14 -0.20 0.00 0.71 0.00 0.00 52.55 53.38 1i9b s ASP 153 Cb -0.11 0.27 0.29 0.00 1.01 0.00 0.00 42.92 44.38 1i9b s ASP 153 CO 0.09 -0.14 1.18 -2.65 0.21 0.00 0.00 175.17 173.86 1i9b n PRO 154 N 2.57 -2.69 0.00 8.23 -0.02 -1.26 -2.10 135.00 139.73 1i9b n PRO 154 Ca -0.15 -1.87 0.00 0.00 -2.02 0.00 0.00 63.50 59.46 1i9b n PRO 154 Cb 0.58 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1i9b n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9b n THR 155 N -4.63 0.00 -0.44 3.45 -2.24 -1.26 -4.82 114.28 104.34 1i9b n THR 155 Ca 0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1i9b n THR 155 Cb 0.60 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 1i9b n THR 155 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1i9b n THR 156 N 0.00 0.00 0.62 4.28 -1.04 -1.26 -4.84 114.28 112.04 1i9b n THR 156 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1i9b n THR 156 Cb 0.00 -0.15 0.21 0.00 -1.82 0.00 0.00 70.33 68.57 1i9b n THR 156 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i9b n GLU 157 N 2.50 0.26 0.00 -2.82 1.02 -1.26 -4.50 120.64 115.84 1i9b n GLU 157 Ca 0.19 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1i9b n GLU 157 Cb 0.01 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1i9b n GLU 157 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i9b n ASN 158 N -2.06 0.00 0.00 1.62 3.02 -1.26 -4.87 115.26 111.71 1i9b n ASN 158 Ca 0.04 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1i9b n ASN 158 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1i9b n ASN 158 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i9b n SER 159 N -0.25 0.00 -4.68 6.41 3.41 -1.26 -4.55 113.62 112.69 1i9b n SER 159 Ca 0.00 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.09 1i9b n SER 159 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1i9b n SER 159 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1i9b n ASP 160 N 0.00 2.81 0.12 4.04 2.03 -1.26 -4.78 116.55 119.51 1i9b n ASP 160 Ca 0.00 1.04 0.05 0.00 0.52 0.00 0.00 54.79 56.39 1i9b n ASP 160 Cb 0.00 -1.27 0.24 0.00 -0.72 0.00 0.00 41.12 39.38 1i9b n ASP 160 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i9b n ASP 161 N 5.39 0.23 -1.54 1.67 8.00 -1.26 -1.74 116.55 127.29 1i9b n ASP 161 Ca 0.23 0.47 0.03 0.00 0.71 0.00 0.00 54.79 56.23 1i9b n ASP 161 Cb 0.22 -0.42 0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1i9b n ASP 161 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i9b n SER 162 N -1.82 1.40 0.04 -2.24 3.41 -1.26 -4.69 113.62 108.45 1i9b n SER 162 Ca -0.01 -2.45 0.11 0.00 -0.26 0.00 0.00 58.87 56.26 1i9b n SER 162 Cb 0.30 -0.37 0.45 0.00 -0.26 0.00 0.00 64.21 64.33 1i9b n SER 162 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1i9b n GLU 163 N -0.03 0.08 0.00 4.33 0.28 -0.71 -2.55 120.64 122.04 1i9b n GLU 163 Ca 0.10 0.20 0.03 0.00 -0.16 0.00 0.00 57.16 57.33 1i9b n GLU 163 Cb 1.00 -1.62 -0.01 0.00 1.43 0.00 0.00 31.44 32.24 1i9b n GLU 163 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1i9b n TYR 164 N -1.76 0.00 -1.90 -1.84 4.01 -1.26 -5.03 117.16 109.38 1i9b n TYR 164 Ca 0.05 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 1i9b n TYR 164 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 1i9b n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1i9b s PHE 165 N -1.20 2.57 0.29 -0.72 5.36 -1.06 -4.59 117.98 118.62 1i9b s PHE 165 Ca 0.03 1.33 -0.29 0.00 -0.96 0.00 0.00 56.93 57.04 1i9b s PHE 165 Cb 0.04 -3.80 -0.10 0.00 -0.34 0.00 0.00 43.02 38.82 1i9b s PHE 165 CO 0.17 -2.61 1.18 0.45 -1.46 0.00 0.00 175.22 172.96 1i9b s SER 166 N -0.67 7.08 0.29 6.13 0.15 0.53 -4.92 113.70 122.28 1i9b s SER 166 Ca 0.61 2.41 0.20 0.00 0.70 0.00 0.00 55.95 59.87 1i9b s SER 166 Cb -0.41 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.39 1i9b s SER 166 CO 0.52 -0.30 1.32 0.06 1.20 0.00 0.00 173.24 176.04 1i9b h GLN 167 N 3.80 0.00 -0.09 5.44 3.07 -1.92 -3.25 115.11 122.17 1i9b h GLN 167 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1i9b h GLN 167 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1i9b h GLN 167 CO 0.67 0.17 0.00 0.66 0.09 0.00 0.00 178.83 180.42 1i9b n TYR 168 N -3.00 0.10 -1.93 0.06 4.01 -1.26 -4.91 117.16 110.23 1i9b n TYR 168 Ca 0.01 -0.05 -0.39 0.00 -0.16 0.00 0.00 57.90 57.31 1i9b n TYR 168 Cb 0.63 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.68 1i9b n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1i9b s SER 169 N -1.68 5.77 0.36 7.72 0.15 -1.23 -4.87 113.70 119.91 1i9b s SER 169 Ca 0.34 2.69 0.27 0.00 0.70 0.00 0.00 55.95 59.94 1i9b s SER 169 Cb 0.17 -2.63 1.18 0.00 -1.71 0.00 0.00 66.02 63.03 1i9b s SER 169 CO 0.27 -1.23 1.80 -0.09 1.20 0.00 0.00 173.24 175.20 1i9b h ARG 170 N 1.98 0.00 -5.24 5.44 2.43 -1.91 -3.45 114.38 113.64 1i9b h ARG 170 Ca -0.50 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.00 1i9b h ARG 170 Cb 1.27 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.69 1i9b h ARG 170 CO 0.60 0.00 -0.52 -0.06 -1.51 0.00 0.00 179.97 178.47 1i9b s PHE 171 N -3.48 1.93 0.04 2.20 0.40 -1.26 -2.77 117.98 115.04 1i9b s PHE 171 Ca 0.02 -0.94 -0.04 0.00 -0.60 0.00 0.00 56.93 55.38 1i9b s PHE 171 Cb 0.09 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1i9b s PHE 171 CO 0.40 0.24 0.05 -1.83 0.70 0.00 0.00 175.22 174.78 1i9b s GLU 172 N -3.86 0.57 -0.20 0.44 -1.05 -0.41 -4.77 118.70 109.42 1i9b s GLU 172 Ca 0.09 -0.87 -0.09 0.00 -0.15 0.00 0.00 54.97 53.95 1i9b s GLU 172 Cb 0.02 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.88 1i9b s GLU 172 CO 0.05 -0.13 0.11 0.42 0.95 0.00 0.00 175.26 176.66 1i9b s ILE 173 N -2.87 5.21 -0.16 1.83 1.01 -1.26 -1.74 121.20 123.22 1i9b s ILE 173 Ca -0.03 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.59 1i9b s ILE 173 Cb 0.00 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.99 1i9b s ILE 173 CO -0.06 0.43 0.07 -0.07 0.00 0.00 0.00 174.94 175.31 1i9b h LEU 174 N 6.83 0.00 -7.08 2.97 3.38 -0.99 -3.49 115.31 116.94 1i9b h LEU 174 Ca -0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 1i9b h LEU 174 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1i9b h LEU 174 CO 0.73 1.04 0.14 -0.62 0.09 0.00 0.00 178.44 179.81 1i9b s ASP 175 N -6.19 -0.53 -0.04 -0.43 2.15 -0.72 -5.04 116.67 105.86 1i9b s ASP 175 Ca -0.19 0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1i9b s ASP 175 Cb 0.03 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.22 1i9b s ASP 175 CO 0.38 -0.81 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.86 1i9b s VAL 176 N -2.80 0.35 0.02 1.11 1.01 -1.26 -0.99 120.40 117.84 1i9b s VAL 176 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1i9b s VAL 176 Cb -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1i9b s VAL 176 CO -0.04 0.20 -0.07 0.42 0.00 0.00 0.00 175.10 175.61 1i9b s THR 177 N 1.21 0.48 -0.10 3.92 -4.23 -1.10 -5.00 115.64 110.83 1i9b s THR 177 Ca -0.07 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1i9b s THR 177 Cb -0.14 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 73.22 1i9b s THR 177 CO -0.02 -0.20 -0.14 -1.10 -0.54 0.00 0.00 174.62 172.62 1i9b s GLN 178 N -1.04 2.03 -0.16 3.99 -0.21 -1.26 -0.56 119.66 122.45 1i9b s GLN 178 Ca -0.06 -0.49 -0.01 0.00 0.02 0.00 0.00 55.36 54.82 1i9b s GLN 178 Cb -0.07 -1.75 0.04 0.00 1.00 0.00 0.00 33.01 32.23 1i9b s GLN 178 CO 0.00 -0.07 -0.03 0.15 -2.12 0.00 0.00 175.29 173.22 1i9b s LYS 179 N 1.00 1.20 0.68 2.91 1.02 -0.26 -4.89 119.74 121.40 1i9b s LYS 179 Ca -0.07 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 1i9b s LYS 179 Cb -0.15 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1i9b s LYS 179 CO -0.01 -0.44 1.13 -1.59 -0.92 0.00 0.00 175.35 173.52 1i9b s LYS 180 N 1.72 2.64 0.31 1.68 0.00 -1.26 -2.33 119.74 122.50 1i9b s LYS 180 Ca 0.01 1.47 0.04 0.00 0.00 0.00 0.00 55.97 57.50 1i9b s LYS 180 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 37.83 35.74 1i9b s LYS 180 CO -0.07 -1.39 0.16 0.09 0.00 0.00 0.00 175.35 174.13 1i9b n ASN 181 N -2.49 0.59 -3.20 0.03 3.02 0.18 -4.88 115.26 108.51 1i9b n ASN 181 Ca 0.11 -2.78 0.01 0.00 -0.03 0.00 0.00 54.58 51.88 1i9b n ASN 181 Cb 0.52 1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 40.68 1i9b n ASN 181 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i9b s SER 182 N -3.01 -1.04 0.04 6.41 0.15 -1.26 -2.63 113.70 112.36 1i9b s SER 182 Ca 0.22 0.41 0.06 0.00 0.70 0.00 0.00 55.95 57.34 1i9b s SER 182 Cb 0.01 1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 66.14 1i9b s SER 182 CO 0.16 -0.29 -0.14 -0.69 1.20 0.00 0.00 173.24 173.47 1i9b s VAL 183 N 2.77 3.07 -0.14 4.45 1.01 -1.10 -4.90 120.40 125.56 1i9b s VAL 183 Ca 0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1i9b s VAL 183 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1i9b s VAL 183 CO -0.23 0.33 -0.12 -0.89 0.00 0.00 0.00 175.10 174.19 1i9b s THR 184 N -0.97 3.08 -0.04 3.92 2.01 -1.26 0.57 115.64 122.95 1i9b s THR 184 Ca 0.16 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1i9b s THR 184 Cb -0.11 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1i9b s THR 184 CO 0.07 0.51 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.18 1i9b s TYR 185 N 0.53 3.07 0.37 4.92 1.51 -1.23 -4.99 117.35 121.52 1i9b s TYR 185 Ca -0.08 0.10 0.12 0.00 -1.01 0.00 0.00 57.07 56.20 1i9b s TYR 185 Cb -0.16 -1.71 0.92 0.00 -0.11 0.00 0.00 41.96 40.90 1i9b s TYR 185 CO 0.04 0.44 1.82 0.66 -1.11 0.00 0.00 175.55 177.39 1i9b h SER 186 N 4.79 0.59 -0.77 2.29 4.64 -1.99 0.40 113.55 123.50 1i9b h SER 186 Ca -0.49 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 1i9b h SER 186 Cb 1.18 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1i9b h SER 186 CO 0.55 0.22 0.51 0.00 -0.87 0.00 0.00 176.83 177.25 1i9b h PRO 189 N 7.59 -0.08 0.00 0.00 0.11 -1.83 -3.24 132.00 134.54 1i9b h PRO 189 Ca -0.31 0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.43 1i9b h PRO 189 Cb 1.16 0.02 0.11 0.00 0.11 0.00 0.00 31.00 32.40 1i9b h PRO 189 CO 0.46 -0.05 0.22 0.39 -0.21 0.00 0.00 178.00 178.81 1i9b n GLU 190 N -5.35 -0.54 -3.84 1.05 -0.58 -1.26 -4.91 120.64 105.21 1i9b n GLU 190 Ca 0.03 -2.00 -0.35 0.00 -0.42 0.00 0.00 57.16 54.42 1i9b n GLU 190 Cb 0.32 -0.85 -0.05 0.00 -0.57 0.00 0.00 31.44 30.28 1i9b n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i9b s ALA 191 N -3.54 3.89 -0.29 0.62 0.00 -1.26 -4.34 121.76 116.84 1i9b s ALA 191 Ca 0.59 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1i9b s ALA 191 Cb -0.02 -1.99 0.07 0.00 0.00 0.00 0.00 23.12 21.18 1i9b s ALA 191 CO 0.41 0.66 -0.05 0.71 0.00 0.00 0.00 175.76 177.48 1i9b s TYR 192 N -1.21 3.42 0.66 0.00 1.51 0.19 -0.56 117.35 121.37 1i9b s TYR 192 Ca 0.23 -2.51 -0.15 0.00 -1.01 0.00 0.00 57.07 53.63 1i9b s TYR 192 Cb -0.13 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1i9b s TYR 192 CO 0.13 -0.90 1.13 -1.21 -1.11 0.00 0.00 175.55 173.59 1i9b s GLU 193 N 1.05 2.73 -0.07 -0.62 2.02 -1.26 -2.70 118.70 119.84 1i9b s GLU 193 Ca -0.03 1.48 -0.30 0.00 0.02 0.00 0.00 54.97 56.14 1i9b s GLU 193 Cb -0.20 -1.93 0.09 0.00 0.10 0.00 0.00 34.13 32.19 1i9b s GLU 193 CO -0.06 -1.32 0.80 0.16 0.02 0.00 0.00 175.26 174.86 1i9b s ASP 194 N -2.40 -0.53 -0.21 -0.19 1.47 -1.08 -4.27 116.67 109.46 1i9b s ASP 194 Ca 0.69 0.50 -0.09 0.00 1.18 0.00 0.00 52.55 54.82 1i9b s ASP 194 Cb -0.22 0.45 -0.05 0.00 -0.34 0.00 0.00 42.92 42.76 1i9b s ASP 194 CO 0.41 -0.54 0.12 -0.69 0.68 0.00 0.00 175.17 175.15 1i9b s VAL 195 N -1.50 5.17 -0.24 2.11 1.01 -0.75 0.50 120.40 126.69 1i9b s VAL 195 Ca -0.06 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1i9b s VAL 195 Cb -0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1i9b s VAL 195 CO 0.04 0.40 0.11 -0.70 0.00 0.00 0.00 175.10 174.95 1i9b s GLU 196 N 0.71 3.84 -0.19 2.72 2.12 -0.98 -1.95 118.70 124.96 1i9b s GLU 196 Ca 0.06 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 1i9b s GLU 196 Cb -0.13 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1i9b s GLU 196 CO 0.01 -0.07 -0.03 0.08 -0.54 0.00 0.00 175.26 174.71 1i9b s VAL 197 N 1.34 3.65 -0.29 3.70 1.01 -0.25 -1.10 120.40 128.47 1i9b s VAL 197 Ca 0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 1i9b s VAL 197 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1i9b s VAL 197 CO 0.05 0.45 0.16 -0.44 0.00 0.00 0.00 175.10 175.32 1i9b s SER 198 N 0.99 5.71 -0.49 3.32 0.01 0.28 -0.65 113.70 122.87 1i9b s SER 198 Ca 0.01 -0.25 -0.15 0.00 1.31 0.00 0.00 55.95 56.86 1i9b s SER 198 Cb -0.15 -2.05 0.10 0.00 0.21 0.00 0.00 66.02 64.13 1i9b s SER 198 CO 0.01 -0.11 0.42 -0.22 0.41 0.00 0.00 173.24 173.75 1i9b s LEU 199 N 1.68 5.81 -0.41 2.44 2.96 0.12 -2.70 118.68 128.58 1i9b s LEU 199 Ca 0.06 -1.53 -0.17 0.00 -0.22 0.00 0.00 54.13 52.27 1i9b s LEU 199 Cb -0.16 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.37 1i9b s LEU 199 CO 0.08 -0.72 0.43 0.21 -1.32 0.00 0.00 176.35 175.03 1i9b s ASN 200 N 2.94 6.19 0.30 3.68 2.47 -0.16 -1.15 114.94 129.22 1i9b s ASN 200 Ca 0.04 -0.64 0.04 0.00 0.42 0.00 0.00 52.86 52.71 1i9b s ASN 200 Cb -0.26 -2.22 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 1i9b s ASN 200 CO 0.05 -0.56 0.27 0.72 -3.72 0.00 0.00 177.10 173.86 1i9b s PHE 201 N 2.11 1.54 0.15 0.43 -0.71 -0.61 -0.29 117.98 120.60 1i9b s PHE 201 Ca 0.12 -1.55 -0.24 0.00 -1.04 0.00 0.00 56.93 54.22 1i9b s PHE 201 Cb -0.17 -0.61 0.07 0.00 -1.21 0.00 0.00 43.02 41.10 1i9b s PHE 201 CO 0.13 -0.85 0.65 -0.98 -1.34 0.00 0.00 175.22 172.84 1i9b s ARG 202 N -3.57 1.27 0.53 1.99 1.70 -0.71 -0.41 118.95 119.75 1i9b s ARG 202 Ca 0.39 -0.51 -0.20 0.00 -0.47 0.00 0.00 55.73 54.94 1i9b s ARG 202 Cb 0.03 0.56 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 1i9b s ARG 202 CO 0.23 -0.56 1.17 0.21 -1.08 0.00 0.00 175.30 175.27 1i9b s LYS 203 N -3.68 3.37 0.69 3.89 2.20 0.62 -1.29 119.74 125.53 1i9b s LYS 203 Ca 0.03 1.75 -0.15 0.00 -0.36 0.00 0.00 55.97 57.24 1i9b s LYS 203 Cb -0.02 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.21 1i9b s LYS 203 CO -0.10 -0.87 1.14 0.15 -0.36 0.00 0.00 175.35 175.31 1i9b s LYS 204 N -3.11 2.57 0.00 4.03 1.02 -1.12 -4.77 119.74 118.36 1i9b s LYS 204 Ca 0.71 1.49 0.21 0.00 0.02 0.00 0.00 55.97 58.40 1i9b s LYS 204 Cb -0.28 -1.91 0.16 0.00 -0.52 0.00 0.00 37.83 35.28 1i9b s LYS 204 CO 0.32 -1.45 1.15 0.41 -0.92 0.00 0.00 175.35 174.86