#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9r s ILE 2 N 0.00 4.25 -0.18 0.53 1.01 -1.26 -5.03 121.20 120.52 1i9r s ILE 2 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1i9r s ILE 2 Cb 0.00 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1i9r s ILE 2 CO 0.00 0.08 -0.17 -0.69 0.00 0.00 0.00 174.94 174.16 1i9r s VAL 3 N -1.70 2.39 -0.17 2.92 1.01 -1.26 -4.83 120.40 118.75 1i9r s VAL 3 Ca 0.52 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1i9r s VAL 3 Cb -0.17 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1i9r s VAL 3 CO 0.22 0.52 0.14 -0.76 0.00 0.00 0.00 175.10 175.22 1i9r s LEU 4 N 1.18 4.27 -0.20 3.92 1.43 -1.24 -1.71 118.68 126.33 1i9r s LEU 4 Ca 0.02 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1i9r s LEU 4 Cb -0.14 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1i9r s LEU 4 CO -0.08 0.25 -0.16 -0.89 0.23 0.00 0.00 176.35 175.70 1i9r s THR 5 N -0.06 2.29 0.64 5.49 2.01 0.14 -3.80 115.64 122.36 1i9r s THR 5 Ca 0.10 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 1i9r s THR 5 Cb -0.11 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.49 1i9r s THR 5 CO 0.00 0.44 0.87 0.00 -0.69 0.00 0.00 174.62 175.24 1i9r n GLN 6 N 4.63 -0.16 0.00 4.92 6.02 -1.26 -1.86 117.38 129.67 1i9r n GLN 6 Ca -0.20 -2.18 0.00 0.00 -0.01 0.00 0.00 57.00 54.62 1i9r n GLN 6 Cb 0.49 -0.64 0.00 0.00 1.02 0.00 0.00 30.24 31.11 1i9r n GLN 6 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1i9r n SER 7 N -3.04 0.00 -4.70 1.08 2.88 -0.86 -4.74 113.62 104.24 1i9r n SER 7 Ca 0.14 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.39 1i9r n SER 7 Cb 0.49 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.11 1i9r n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1i9r s PRO 8 N -1.04 0.67 0.13 -1.46 0.04 -1.26 -1.68 135.00 130.40 1i9r s PRO 8 Ca 0.00 0.49 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 1i9r s PRO 8 Cb 0.00 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1i9r s PRO 8 CO 0.00 -2.56 1.30 0.00 0.04 0.00 0.00 177.00 175.77 1i9r h ALA 9 N -1.77 0.36 -3.46 8.56 0.00 -1.85 -3.43 119.26 117.68 1i9r h ALA 9 Ca -0.53 -0.73 -0.56 0.00 0.00 0.00 0.00 54.91 53.09 1i9r h ALA 9 Cb 1.32 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 18.76 1i9r h ALA 9 CO 0.58 0.84 -0.83 0.99 0.00 0.00 0.00 179.25 180.83 1i9r s THR 10 N -3.21 1.40 -0.17 0.00 2.01 -1.26 0.92 115.64 115.32 1i9r s THR 10 Ca -0.05 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1i9r s THR 10 Cb 0.09 -1.24 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1i9r s THR 10 CO 0.86 0.41 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.85 1i9r s LEU 11 N 0.51 2.03 -0.31 4.42 1.98 0.12 -4.91 118.68 122.52 1i9r s LEU 11 Ca -0.14 -0.68 -0.08 0.00 -2.89 0.00 0.00 54.13 50.33 1i9r s LEU 11 Cb -0.16 -1.27 0.01 0.00 0.66 0.00 0.00 46.19 45.43 1i9r s LEU 11 CO 0.05 -0.08 0.12 -0.44 -1.89 0.00 0.00 176.35 174.11 1i9r s SER 12 N 1.41 5.33 0.13 3.68 0.01 -1.26 0.45 113.70 123.46 1i9r s SER 12 Ca 0.02 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.60 1i9r s SER 12 Cb -0.14 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1i9r s SER 12 CO -0.10 -0.22 -0.07 0.54 0.41 0.00 0.00 173.24 173.79 1i9r s VAL 13 N 1.53 0.94 0.30 3.43 0.11 -0.45 -4.46 120.40 121.80 1i9r s VAL 13 Ca 0.03 -2.01 0.07 0.00 -2.93 0.00 0.00 61.98 57.14 1i9r s VAL 13 Cb -0.18 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 1i9r s VAL 13 CO 0.04 -0.75 0.28 -0.94 -3.33 0.00 0.00 175.10 170.40 1i9r s SER 14 N -3.13 5.50 0.62 3.54 1.04 -1.26 -1.18 113.70 118.83 1i9r s SER 14 Ca 0.16 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.07 1i9r s SER 14 Cb 0.04 -1.21 -0.02 0.00 0.10 0.00 0.00 66.02 64.93 1i9r s SER 14 CO -0.01 -0.23 1.22 -2.84 0.98 0.00 0.00 173.24 172.36 1i9r s PRO 15 N -3.95 2.77 0.00 4.02 0.02 -1.26 -0.21 135.00 136.39 1i9r s PRO 15 Ca 0.38 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1i9r s PRO 15 Cb -0.07 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1i9r s PRO 15 CO 0.26 -1.37 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 1i9r n GLY 16 N 0.52 2.59 3.89 0.52 0.00 0.17 -4.89 105.19 107.98 1i9r n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1i9r n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9r s GLU 17 N -0.14 3.58 0.01 1.61 2.12 0.71 -4.70 118.70 121.90 1i9r s GLU 17 Ca 0.00 -0.13 -0.16 0.00 0.36 0.00 0.00 54.97 55.05 1i9r s GLU 17 Cb 0.00 -2.98 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 1i9r s GLU 17 CO 0.00 0.57 0.44 0.50 -0.54 0.00 0.00 175.26 176.22 1i9r s ARG 18 N -2.23 3.97 -0.03 4.30 3.52 -1.26 -0.27 118.95 126.95 1i9r s ARG 18 Ca 0.34 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.44 1i9r s ARG 18 Cb -0.13 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1i9r s ARG 18 CO 0.21 0.68 -0.11 0.00 -0.81 0.00 0.00 175.30 175.28 1i9r s ALA 19 N -1.08 0.99 -0.06 6.12 0.00 -1.07 -4.98 121.76 121.69 1i9r s ALA 19 Ca 0.25 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1i9r s ALA 19 Cb -0.17 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1i9r s ALA 19 CO 0.14 0.17 0.03 0.95 0.00 0.00 0.00 175.76 177.05 1i9r s THR 20 N 0.15 0.18 0.45 0.00 -4.23 -1.26 -1.33 115.64 109.60 1i9r s THR 20 Ca -0.03 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1i9r s THR 20 Cb -0.09 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.38 1i9r s THR 20 CO 0.01 0.23 0.66 -0.63 -0.54 0.00 0.00 174.62 174.34 1i9r s ILE 21 N 2.05 3.74 0.02 2.99 1.01 -0.61 -4.86 121.20 125.55 1i9r s ILE 21 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1i9r s ILE 21 Cb -0.12 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1i9r s ILE 21 CO -0.04 -0.24 -0.04 -0.94 0.00 0.00 0.00 174.94 173.67 1i9r s SER 22 N -4.25 0.45 0.36 3.58 1.04 -0.68 -2.26 113.70 111.94 1i9r s SER 22 Ca 0.50 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.58 1i9r s SER 22 Cb -0.10 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 66.00 1i9r s SER 22 CO 0.37 -0.19 -0.00 0.00 0.98 0.00 0.00 173.24 174.39 1i9r s ARG 24 N -3.74 0.38 0.03 0.00 0.52 -0.78 -2.55 118.95 112.81 1i9r s ARG 24 Ca 0.34 1.08 -0.19 0.00 -0.52 0.00 0.00 55.73 56.44 1i9r s ARG 24 Cb 0.08 0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.88 1i9r s ARG 24 CO 0.16 -0.28 0.56 0.00 0.02 0.00 0.00 175.30 175.77 1i9r s ALA 25 N 2.67 3.55 -1.33 2.13 0.00 0.91 -0.68 121.76 129.00 1i9r s ALA 25 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 51.96 52.05 1i9r s ALA 25 Cb -0.12 -2.66 0.46 0.00 0.00 0.00 0.00 23.12 20.79 1i9r s ALA 25 CO -0.14 0.29 1.21 -1.13 0.00 0.00 0.00 175.76 175.98 1i9r n SER 26 N 2.25 0.00 -3.49 0.00 3.41 -0.69 -4.67 113.62 110.42 1i9r n SER 26 Ca -0.09 0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.64 1i9r n SER 26 Cb 0.51 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1i9r n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i9r s GLN 27 N -2.67 1.31 0.51 4.33 -2.07 -1.26 -4.93 119.66 114.89 1i9r s GLN 27 Ca 0.08 -0.53 -0.23 0.00 -1.82 0.00 0.00 55.36 52.86 1i9r s GLN 27 Cb 0.06 0.57 -0.06 0.00 -1.09 0.00 0.00 33.01 32.50 1i9r s GLN 27 CO 0.15 -0.58 1.38 1.03 -1.32 0.00 0.00 175.29 175.95 1i9r s ARG 28 N -3.71 3.32 0.00 9.60 0.52 -1.26 -4.55 118.95 122.87 1i9r s ARG 28 Ca 0.03 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 1i9r s ARG 28 Cb -0.02 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1i9r s ARG 28 CO -0.10 -1.07 0.96 1.33 0.02 0.00 0.00 175.30 176.44 1i9r n VAL 29 N -0.75 0.00 -4.64 3.52 0.24 0.61 -4.94 118.33 112.37 1i9r n VAL 29 Ca 0.09 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.07 1i9r n VAL 29 Cb 0.44 0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 33.12 1i9r n VAL 29 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1i9r s SER 30 N -0.91 3.02 0.00 -1.34 0.15 -1.25 -0.38 113.70 112.98 1i9r s SER 30 Ca 0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1i9r s SER 30 Cb 0.00 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1i9r s SER 30 CO 0.00 0.07 0.00 -1.54 1.20 0.00 0.00 173.24 172.97 1i9r n SER 31 N 4.09 0.00 0.10 5.45 3.41 0.13 -4.47 113.62 122.34 1i9r n SER 31 Ca -0.20 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1i9r n SER 31 Cb 0.51 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.92 1i9r n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i9r n SER 32 N 0.00 0.62 0.00 4.04 3.41 -1.26 -4.28 113.62 116.15 1i9r n SER 32 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1i9r n SER 32 Cb 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1i9r n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1i9r n THR 33 N -2.14 0.00 -4.29 6.66 -1.04 -1.26 -5.10 114.28 107.10 1i9r n THR 33 Ca 0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.89 1i9r n THR 33 Cb 0.30 -0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 68.37 1i9r n THR 33 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1i9r s TYR 34 N -1.37 1.45 -0.20 -1.42 1.51 -1.26 -5.12 117.35 110.94 1i9r s TYR 34 Ca 0.00 -0.74 -0.00 0.00 -1.01 0.00 0.00 57.07 55.32 1i9r s TYR 34 Cb 0.00 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1i9r s TYR 34 CO 0.00 0.14 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.31 1i9r s SER 35 N -3.24 3.59 -1.31 2.29 0.01 -1.26 0.22 113.70 113.99 1i9r s SER 35 Ca 0.21 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.74 1i9r s SER 35 Cb 0.02 -1.56 -0.06 0.00 0.21 0.00 0.00 66.02 64.63 1i9r s SER 35 CO 0.04 -0.03 2.91 -1.22 0.41 0.00 0.00 173.24 175.35 1i9r n TYR 36 N 4.66 2.13 -5.16 2.43 4.01 0.48 -3.47 117.16 122.24 1i9r n TYR 36 Ca -0.20 -2.79 -0.31 0.00 -0.16 0.00 0.00 57.90 54.45 1i9r n TYR 36 Cb 0.50 -2.19 -0.16 0.00 -0.31 0.00 0.00 39.34 37.18 1i9r n TYR 36 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1i9r s MET 37 N 1.11 1.98 0.02 -0.72 -1.94 -1.26 -1.48 119.30 117.01 1i9r s MET 37 Ca 0.66 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 53.64 1i9r s MET 37 Cb 0.21 -2.00 -0.02 0.00 2.01 0.00 0.00 34.83 35.02 1i9r s MET 37 CO -0.07 0.54 -0.01 -1.01 -0.01 0.00 0.00 175.02 174.46 1i9r s HIS 38 N -0.68 0.26 0.02 -0.03 3.76 0.12 0.17 115.29 118.91 1i9r s HIS 38 Ca 0.11 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1i9r s HIS 38 Cb -0.10 -0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 1i9r s HIS 38 CO 0.00 -0.22 -0.26 -1.58 -0.85 0.00 0.00 174.74 171.83 1i9r s TRP 39 N -1.70 2.27 0.10 1.40 0.52 0.69 0.72 118.94 122.94 1i9r s TRP 39 Ca -0.14 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 55.63 1i9r s TRP 39 Cb -0.08 -1.40 -0.03 0.00 -1.15 0.00 0.00 33.47 30.81 1i9r s TRP 39 CO -0.02 0.06 -0.15 0.71 0.02 0.00 0.00 176.95 177.57 1i9r s TYR 40 N -0.72 1.40 0.04 -1.98 4.12 0.13 -1.03 117.35 119.31 1i9r s TYR 40 Ca 0.11 -0.49 0.06 0.00 0.02 0.00 0.00 57.07 56.76 1i9r s TYR 40 Cb -0.10 -0.76 -0.03 0.00 -1.52 0.00 0.00 41.96 39.55 1i9r s TYR 40 CO 0.01 0.12 -0.13 1.14 0.02 0.00 0.00 175.55 176.71 1i9r s GLN 41 N -2.16 2.24 -0.02 -0.62 -2.07 -0.74 -0.62 119.66 115.66 1i9r s GLN 41 Ca 0.04 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 1i9r s GLN 41 Cb -0.08 -2.31 0.03 0.00 -1.09 0.00 0.00 33.01 29.56 1i9r s GLN 41 CO 0.03 0.55 0.02 -1.14 -1.32 0.00 0.00 175.29 173.43 1i9r s GLN 42 N -1.56 0.11 0.41 9.60 0.74 0.25 -0.83 119.66 128.39 1i9r s GLN 42 Ca 0.17 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1i9r s GLN 42 Cb -0.11 -0.35 -0.01 0.00 1.10 0.00 0.00 33.01 33.64 1i9r s GLN 42 CO 0.07 -0.15 0.63 0.15 -0.55 0.00 0.00 175.29 175.44 1i9r s LYS 43 N 1.04 3.22 0.35 1.67 -0.14 -1.26 -1.75 119.74 122.86 1i9r s LYS 43 Ca -0.09 -0.43 -0.28 0.00 -1.36 0.00 0.00 55.97 53.81 1i9r s LYS 43 Cb -0.13 -2.59 -0.10 0.00 -1.68 0.00 0.00 37.83 33.32 1i9r s LYS 43 CO -0.02 -0.12 1.35 -2.14 -0.76 0.00 0.00 175.35 173.66 1i9r s PRO 44 N -4.47 4.27 0.00 -1.68 0.02 -1.26 -2.35 135.00 129.53 1i9r s PRO 44 Ca 0.45 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1i9r s PRO 44 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1i9r s PRO 44 CO 0.37 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1i9r n GLY 45 N 0.70 2.70 3.92 0.52 0.00 -1.26 -4.99 105.19 106.79 1i9r n GLY 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1i9r n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i9r s GLN 46 N -0.02 3.01 0.61 1.61 -0.21 -0.99 -5.12 119.66 118.55 1i9r s GLN 46 Ca 0.00 -1.07 -0.06 0.00 0.02 0.00 0.00 55.36 54.24 1i9r s GLN 46 Cb 0.00 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.35 1i9r s GLN 46 CO 0.00 0.18 0.93 -1.25 -2.12 0.00 0.00 175.29 173.03 1i9r s PRO 47 N -4.04 2.83 0.81 2.91 0.04 -1.26 -4.37 135.00 131.91 1i9r s PRO 47 Ca 0.40 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 1i9r s PRO 47 Cb -0.08 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.28 1i9r s PRO 47 CO 0.28 -0.80 1.04 -2.30 0.04 0.00 0.00 177.00 175.27 1i9r n PRO 48 N -2.66 0.18 -4.92 0.56 -0.02 -1.26 -4.59 135.00 122.29 1i9r n PRO 48 Ca 0.05 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.37 1i9r n PRO 48 Cb 0.58 -2.31 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 1i9r n PRO 48 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1i9r s LYS 49 N -3.86 2.49 0.04 -0.52 2.36 -0.01 -4.96 119.74 115.28 1i9r s LYS 49 Ca 0.71 -0.68 -0.31 0.00 -2.55 0.00 0.00 55.97 53.14 1i9r s LYS 49 Cb -0.30 -1.94 -0.06 0.00 -1.05 0.00 0.00 37.83 34.49 1i9r s LYS 49 CO 0.53 0.10 1.33 -1.17 1.55 0.00 0.00 175.35 177.69 1i9r s LEU 50 N 0.52 4.34 -0.14 5.43 2.96 -1.26 -1.79 118.68 128.73 1i9r s LEU 50 Ca -0.16 2.12 -0.07 0.00 -0.22 0.00 0.00 54.13 55.80 1i9r s LEU 50 Cb -0.17 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1i9r s LEU 50 CO 0.06 -0.63 -0.17 0.18 -1.32 0.00 0.00 176.35 174.47 1i9r n LEU 51 N 4.65 1.02 -4.02 -0.68 4.77 -0.20 -4.74 117.00 117.81 1i9r n LEU 51 Ca 0.12 0.16 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 1i9r n LEU 51 Cb 0.44 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 1i9r n LEU 51 CO 0.58 0.30 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.86 1i9r s ILE 52 N -2.25 0.84 0.10 -0.08 1.01 -1.14 -0.24 121.20 119.44 1i9r s ILE 52 Ca -0.19 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.16 1i9r s ILE 52 Cb 0.07 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1i9r s ILE 52 CO 0.24 0.26 -0.26 -1.59 0.00 0.00 0.00 174.94 173.58 1i9r s LYS 53 N 0.10 1.54 -1.18 2.79 -2.85 -0.22 -0.22 119.74 119.70 1i9r s LYS 53 Ca -0.02 -1.27 -0.11 0.00 -1.00 0.00 0.00 55.97 53.57 1i9r s LYS 53 Cb -0.08 -1.94 -0.02 0.00 -2.06 0.00 0.00 37.83 33.74 1i9r s LYS 53 CO 0.00 0.47 0.78 0.66 0.10 0.00 0.00 175.35 177.36 1i9r n TYR 54 N 1.16 -2.01 0.00 1.78 4.02 -0.15 -2.09 117.16 119.87 1i9r n TYR 54 Ca -0.18 0.65 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1i9r n TYR 54 Cb 0.53 -3.85 0.00 0.00 -0.02 0.00 0.00 39.34 36.00 1i9r n TYR 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i9r n ALA 55 N -4.02 0.00 -1.44 -0.72 0.00 0.45 -3.98 120.51 110.80 1i9r n ALA 55 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1i9r n ALA 55 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1i9r n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i9r n SER 56 N 0.00 0.00 -4.59 0.00 3.41 -1.20 -2.79 113.62 108.44 1i9r n SER 56 Ca 0.00 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.25 1i9r n SER 56 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1i9r n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i9r s ASN 57 N 0.00 5.63 0.22 4.04 0.01 -0.89 -4.53 114.94 119.43 1i9r s ASN 57 Ca 0.00 0.01 -0.31 0.00 -0.71 0.00 0.00 52.86 51.85 1i9r s ASN 57 Cb 0.00 -1.99 -0.10 0.00 0.41 0.00 0.00 41.25 39.57 1i9r s ASN 57 CO 0.00 0.09 1.53 -0.76 -1.51 0.00 0.00 177.10 176.45 1i9r s LEU 58 N 0.89 4.37 0.97 0.60 1.02 -1.26 -1.06 118.68 124.21 1i9r s LEU 58 Ca 0.05 2.70 -0.12 0.00 0.02 0.00 0.00 54.13 56.78 1i9r s LEU 58 Cb -0.14 -3.61 0.17 0.00 0.02 0.00 0.00 46.19 42.63 1i9r s LEU 58 CO 0.03 -0.80 1.09 -0.70 0.02 0.00 0.00 176.35 175.99 1i9r s GLU 59 N 0.27 0.68 0.04 1.70 2.56 0.67 -4.86 118.70 119.75 1i9r s GLU 59 Ca 0.65 0.71 -0.31 0.00 0.00 0.00 0.00 54.97 56.02 1i9r s GLU 59 Cb -0.44 -1.75 -0.06 0.00 2.00 0.00 0.00 34.13 33.88 1i9r s GLU 59 CO 0.39 -2.61 1.41 0.45 -0.56 0.00 0.00 175.26 174.34 1i9r s SER 60 N -3.33 6.83 0.00 -1.70 0.15 -1.26 -2.90 113.70 111.48 1i9r s SER 60 Ca 0.65 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.50 1i9r s SER 60 Cb -0.19 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1i9r s SER 60 CO 0.58 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1i9r n GLY 61 N 3.62 2.78 3.77 9.45 0.00 -1.26 -5.04 105.19 118.51 1i9r n GLY 61 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1i9r n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i9r s VAL 62 N -2.68 2.61 0.51 1.61 1.01 -1.14 -4.94 120.40 117.37 1i9r s VAL 62 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 1i9r s VAL 62 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1i9r s VAL 62 CO 0.00 0.14 1.12 -2.84 0.00 0.00 0.00 175.10 173.52 1i9r s PRO 63 N -1.64 3.55 0.63 2.72 0.02 -1.26 -4.88 135.00 134.14 1i9r s PRO 63 Ca 0.51 1.61 0.41 0.00 0.02 0.00 0.00 61.00 63.56 1i9r s PRO 63 Cb -0.41 -2.14 2.25 0.00 0.02 0.00 0.00 34.50 34.22 1i9r s PRO 63 CO 0.53 -0.69 2.27 0.00 -0.33 0.00 0.00 177.00 178.78 1i9r h ALA 64 N 1.51 1.02 -0.76 -1.55 0.00 -2.00 -2.20 119.26 115.28 1i9r h ALA 64 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i9r h ALA 64 Cb 1.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1i9r h ALA 64 CO 0.58 -0.02 0.49 0.07 0.00 0.00 0.00 179.25 180.37 1i9r h ARG 65 N 0.00 1.01 -6.76 0.00 0.11 -1.92 -3.41 114.38 103.40 1i9r h ARG 65 Ca 0.00 -0.07 -0.53 0.00 0.10 0.00 0.00 59.98 59.48 1i9r h ARG 65 Cb 0.04 -0.22 0.07 0.00 1.11 0.00 0.00 29.97 30.96 1i9r h ARG 65 CO 0.00 0.68 0.80 -0.06 0.10 0.00 0.00 179.97 181.50 1i9r s PHE 66 N -5.83 2.93 0.16 4.08 0.08 -0.83 -2.19 117.98 116.37 1i9r s PHE 66 Ca -0.11 0.93 -0.24 0.00 0.12 0.00 0.00 56.93 57.64 1i9r s PHE 66 Cb 0.18 -3.90 0.07 0.00 -0.57 0.00 0.00 43.02 38.79 1i9r s PHE 66 CO 0.79 -2.99 0.69 -1.54 -0.10 0.00 0.00 175.22 172.07 1i9r s SER 67 N 0.43 -0.45 -0.04 1.36 1.04 -1.07 -4.92 113.70 110.04 1i9r s SER 67 Ca 0.61 -0.14 -0.24 0.00 0.48 0.00 0.00 55.95 56.65 1i9r s SER 67 Cb -0.44 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.32 1i9r s SER 67 CO 0.44 -0.98 0.53 -0.83 0.98 0.00 0.00 173.24 173.38 1i9r s GLY 68 N -2.75 -0.41 0.33 7.32 0.00 -1.26 0.70 107.32 111.25 1i9r s GLY 68 Ca 0.04 0.95 0.02 0.00 0.00 0.00 0.00 44.72 45.74 1i9r s GLY 68 CO -0.08 0.65 0.38 -1.14 0.00 0.00 0.00 173.10 172.92 1i9r n SER 69 N 1.14 -1.04 0.00 1.64 3.41 -0.69 -3.99 113.62 114.09 1i9r n SER 69 Ca -0.20 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.46 1i9r n SER 69 Cb 0.57 2.09 0.00 0.00 -0.26 0.00 0.00 64.21 66.60 1i9r n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9r n GLY 70 N -0.58 0.82 0.00 5.00 0.00 -1.26 -0.25 105.19 108.92 1i9r n GLY 70 Ca 0.04 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1i9r n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i9r n SER 71 N 1.10 0.00 0.00 1.61 3.41 -0.42 -4.95 113.62 114.37 1i9r n SER 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i9r n SER 71 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1i9r n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9r n GLY 72 N -0.04 0.94 0.00 5.00 0.00 -1.26 -2.66 105.19 107.16 1i9r n GLY 72 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1i9r n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i9r n THR 73 N 0.00 0.00 -4.91 2.61 -2.24 -1.26 -0.28 114.28 108.19 1i9r n THR 73 Ca 0.00 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 1i9r n THR 73 Cb 0.00 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.08 1i9r n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1i9r s ASP 74 N -0.30 2.38 0.04 3.42 1.01 -1.09 -0.07 116.67 122.07 1i9r s ASP 74 Ca 0.00 -0.40 -0.00 0.00 0.71 0.00 0.00 52.55 52.85 1i9r s ASP 74 Cb 0.00 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 1i9r s ASP 74 CO 0.00 0.14 -0.03 -0.36 0.21 0.00 0.00 175.17 175.13 1i9r s PHE 75 N 0.22 0.43 0.16 4.23 0.40 -1.06 -1.30 117.98 121.06 1i9r s PHE 75 Ca -0.09 -0.81 0.03 0.00 -0.60 0.00 0.00 56.93 55.46 1i9r s PHE 75 Cb -0.14 -0.31 -0.05 0.00 0.51 0.00 0.00 43.02 43.03 1i9r s PHE 75 CO 0.04 -0.28 -0.06 0.95 0.70 0.00 0.00 175.22 176.58 1i9r s THR 76 N -2.76 0.98 -0.03 0.64 -4.23 0.66 0.51 115.64 111.40 1i9r s THR 76 Ca -0.03 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1i9r s THR 76 Cb -0.01 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.89 1i9r s THR 76 CO -0.06 -0.63 0.02 -0.22 -0.54 0.00 0.00 174.62 173.20 1i9r s LEU 77 N -3.18 0.87 -0.05 4.79 1.98 -0.96 -1.70 118.68 120.43 1i9r s LEU 77 Ca 0.20 0.02 -0.02 0.00 -2.89 0.00 0.00 54.13 51.43 1i9r s LEU 77 Cb 0.04 -0.16 0.04 0.00 0.66 0.00 0.00 46.19 46.77 1i9r s LEU 77 CO 0.02 -0.15 0.11 0.28 -1.89 0.00 0.00 176.35 174.72 1i9r s THR 78 N 1.36 -0.06 -0.06 3.68 -1.32 0.22 -1.57 115.64 117.89 1i9r s THR 78 Ca -0.05 0.20 -0.24 0.00 -1.21 0.00 0.00 61.69 60.39 1i9r s THR 78 Cb -0.13 -0.20 -0.04 0.00 -1.51 0.00 0.00 72.50 70.62 1i9r s THR 78 CO -0.03 0.08 0.70 -0.63 -2.21 0.00 0.00 174.62 172.54 1i9r s ILE 79 N 1.21 5.02 0.37 5.08 1.01 -0.44 -2.61 121.20 130.84 1i9r s ILE 79 Ca -0.09 1.46 0.17 0.00 0.00 0.00 0.00 60.65 62.19 1i9r s ILE 79 Cb -0.12 -4.04 0.16 0.00 0.01 0.00 0.00 42.46 38.46 1i9r s ILE 79 CO -0.05 0.26 1.90 0.77 0.00 0.00 0.00 174.94 177.82 1i9r h SER 80 N 6.65 0.00 -0.63 3.58 4.64 -1.74 -2.82 113.55 123.23 1i9r h SER 80 Ca -0.41 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1i9r h SER 80 Cb 1.20 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.08 1i9r h SER 80 CO 0.75 0.28 -0.09 -0.94 -0.87 0.00 0.00 176.83 175.96 1i9r s SER 81 N -6.71 -0.91 0.34 4.97 1.04 -1.26 -4.35 113.70 106.82 1i9r s SER 81 Ca -0.03 0.43 -0.26 0.00 0.48 0.00 0.00 55.95 56.58 1i9r s SER 81 Cb 0.14 1.71 -0.13 0.00 0.10 0.00 0.00 66.02 67.84 1i9r s SER 81 CO 0.68 -0.17 0.85 0.52 0.98 0.00 0.00 173.24 176.10 1i9r n VAL 82 N 5.40 2.05 -4.18 5.02 0.31 0.63 -4.63 118.33 122.93 1i9r n VAL 82 Ca -0.01 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.63 1i9r n VAL 82 Cb 0.53 -0.83 -0.12 0.00 -0.91 0.00 0.00 33.84 32.51 1i9r n VAL 82 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1i9r s GLU 83 N -1.62 0.85 0.25 5.55 2.02 -1.26 -0.66 118.70 123.83 1i9r s GLU 83 Ca 0.61 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 1i9r s GLU 83 Cb -0.66 -0.88 0.36 0.00 0.10 0.00 0.00 34.13 33.04 1i9r s GLU 83 CO 0.58 0.20 1.46 -2.30 0.02 0.00 0.00 175.26 175.22 1i9r n PRO 84 N 1.24 -0.13 0.08 0.39 -0.02 -1.26 0.54 135.00 135.84 1i9r n PRO 84 Ca -0.21 1.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.86 1i9r n PRO 84 Cb 0.54 -2.17 0.62 0.00 -0.02 0.00 0.00 33.50 32.46 1i9r n PRO 84 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1i9r h GLU 85 N 0.00 0.11 0.00 -0.52 4.11 -2.02 -2.25 114.58 114.01 1i9r h GLU 85 Ca 0.41 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.82 1i9r h GLU 85 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1i9r h GLU 85 CO -0.96 0.07 -0.03 -0.44 0.07 0.00 0.00 179.01 177.73 1i9r h ASP 86 N 0.12 0.00 -2.33 3.06 3.32 -0.31 -3.42 116.42 116.86 1i9r h ASP 86 Ca 0.16 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.66 1i9r h ASP 86 Cb 0.49 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.04 1i9r h ASP 86 CO -0.02 0.03 1.29 -0.36 -1.72 0.00 0.00 179.24 178.46 1i9r s PHE 87 N -4.36 1.39 0.00 4.55 0.40 -0.85 -4.80 117.98 114.30 1i9r s PHE 87 Ca -0.04 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1i9r s PHE 87 Cb 0.14 -4.10 0.00 0.00 0.51 0.00 0.00 43.02 39.57 1i9r s PHE 87 CO 0.52 -4.74 0.00 0.00 0.70 0.00 0.00 175.22 171.71 1i9r n ALA 88 N 8.80 0.00 -2.72 5.36 0.00 -1.23 -4.97 120.51 125.75 1i9r n ALA 88 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 1i9r n ALA 88 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 1i9r n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i9r s THR 89 N -2.37 1.93 -0.08 0.00 2.01 -0.72 0.68 115.64 117.09 1i9r s THR 89 Ca 0.00 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1i9r s THR 89 Cb 0.00 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1i9r s THR 89 CO 0.00 0.54 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.03 1i9r s TYR 90 N -0.17 2.77 -0.03 4.92 1.51 0.69 0.87 117.35 127.90 1i9r s TYR 90 Ca -0.02 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1i9r s TYR 90 Cb -0.13 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1i9r s TYR 90 CO 0.03 0.04 -0.21 0.71 -1.11 0.00 0.00 175.55 175.01 1i9r s TYR 91 N -0.30 2.50 0.07 2.71 2.02 0.20 -1.92 117.35 122.64 1i9r s TYR 91 Ca 0.03 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1i9r s TYR 91 Cb -0.13 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 1i9r s TYR 91 CO 0.03 0.07 0.06 0.00 -1.57 0.00 0.00 175.55 174.13 1i9r s GLN 93 N -2.30 0.57 0.01 0.00 -0.44 0.22 -0.78 119.66 116.94 1i9r s GLN 93 Ca 0.28 0.82 -0.00 0.00 -2.50 0.00 0.00 55.36 53.96 1i9r s GLN 93 Cb -0.12 0.20 0.00 0.00 -1.64 0.00 0.00 33.01 31.45 1i9r s GLN 93 CO 0.20 -0.11 0.01 -2.39 0.50 0.00 0.00 175.29 173.51 1i9r n HIS 94 N 3.38 -3.58 -2.13 1.67 1.44 -1.21 0.12 115.22 114.90 1i9r n HIS 94 Ca -0.17 -0.02 -0.03 0.00 -2.01 0.00 0.00 57.72 55.50 1i9r n HIS 94 Cb 0.56 -0.01 0.01 0.00 0.12 0.00 0.00 29.99 30.67 1i9r n HIS 94 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1i9r n SER 95 N -3.00 -0.68 0.09 4.39 3.41 -0.55 -4.46 113.62 112.82 1i9r n SER 95 Ca 0.00 -1.37 -0.07 0.00 -0.26 0.00 0.00 58.87 57.18 1i9r n SER 95 Cb 0.01 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1i9r n SER 95 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1i9r h TRP 96 N 0.24 0.10 -2.77 7.33 2.91 -1.90 -3.48 115.95 118.39 1i9r h TRP 96 Ca -0.29 -0.06 -0.05 0.00 1.13 0.00 0.00 58.89 59.62 1i9r h TRP 96 Cb 1.08 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1i9r h TRP 96 CO -0.12 0.93 0.13 -0.85 -1.03 0.00 0.00 178.44 177.50 1i9r n GLU 97 N -3.53 0.69 -3.48 2.65 0.28 -1.26 -5.13 120.64 110.85 1i9r n GLU 97 Ca -0.02 -1.52 -0.37 0.00 -0.16 0.00 0.00 57.16 55.09 1i9r n GLU 97 Cb 0.85 1.80 -0.06 0.00 1.43 0.00 0.00 31.44 35.45 1i9r n GLU 97 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1i9r s ILE 98 N -2.47 5.18 0.14 3.84 1.01 -1.26 -3.36 121.20 124.28 1i9r s ILE 98 Ca 0.12 0.75 -0.09 0.00 0.00 0.00 0.00 60.65 61.43 1i9r s ILE 98 Cb -0.03 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 1i9r s ILE 98 CO 0.09 0.45 0.45 -2.16 0.00 0.00 0.00 174.94 173.77 1i9r s PRO 99 N -0.12 3.76 0.61 2.79 0.04 -1.26 -4.99 135.00 135.82 1i9r s PRO 99 Ca 0.22 0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.25 1i9r s PRO 99 Cb -0.15 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 1i9r s PRO 99 CO 0.09 0.47 1.16 -1.25 0.04 0.00 0.00 177.00 177.51 1i9r s PRO 100 N -2.33 2.96 -0.01 0.56 0.04 -1.22 -4.81 135.00 130.20 1i9r s PRO 100 Ca 0.39 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1i9r s PRO 100 Cb -0.13 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1i9r s PRO 100 CO 0.21 -1.17 0.04 0.95 0.04 0.00 0.00 177.00 177.06 1i9r s THR 101 N -1.86 0.03 0.28 1.26 -4.23 -1.26 -5.03 115.64 104.83 1i9r s THR 101 Ca 0.73 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1i9r s THR 101 Cb -0.26 -0.14 -0.05 0.00 1.34 0.00 0.00 72.50 73.39 1i9r s THR 101 CO 0.34 -0.14 0.53 -0.36 -0.54 0.00 0.00 174.62 174.45 1i9r s PHE 102 N -0.42 3.48 0.94 3.99 0.40 -1.26 -3.36 117.98 121.75 1i9r s PHE 102 Ca -0.05 0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 56.71 1i9r s PHE 102 Cb -0.03 -2.04 0.16 0.00 0.51 0.00 0.00 43.02 41.61 1i9r s PHE 102 CO -0.00 0.20 1.17 0.20 0.70 0.00 0.00 175.22 177.49 1i9r s GLY 103 N -3.25 1.62 0.40 4.36 0.00 0.04 -4.53 107.32 105.96 1i9r s GLY 103 Ca 0.43 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.51 1i9r s GLY 103 CO 0.30 -0.09 1.99 -1.33 0.00 0.00 0.00 173.10 173.97 1i9r h GLY 104 N -1.60 0.45 0.00 0.20 0.00 -1.90 -3.45 103.07 96.78 1i9r h GLY 104 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1i9r h GLY 104 CO 0.55 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1i9r n GLY 105 N -1.19 2.86 2.82 4.60 0.00 -1.26 -5.04 105.19 107.98 1i9r n GLY 105 Ca 0.01 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1i9r n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9r s THR 106 N -2.32 -0.05 -0.03 2.61 2.01 -0.81 -4.67 115.64 112.38 1i9r s THR 106 Ca 0.00 0.17 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 1i9r s THR 106 Cb 0.00 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 72.37 1i9r s THR 106 CO 0.00 0.07 0.32 -0.75 -0.69 0.00 0.00 174.62 173.56 1i9r s LYS 107 N 0.85 3.74 -0.88 4.92 2.20 0.26 -0.22 119.74 130.62 1i9r s LYS 107 Ca -0.07 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.67 1i9r s LYS 107 Cb -0.10 -3.19 0.22 0.00 -1.51 0.00 0.00 37.83 33.25 1i9r s LYS 107 CO -0.03 0.71 0.80 -1.17 -0.36 0.00 0.00 175.35 175.31 1i9r s LEU 108 N -1.13 6.10 0.70 5.43 2.96 0.21 0.15 118.68 133.11 1i9r s LEU 108 Ca 0.22 -3.19 -0.11 0.00 -0.22 0.00 0.00 54.13 50.82 1i9r s LEU 108 Cb -0.15 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.48 1i9r s LEU 108 CO 0.11 -0.37 1.06 -0.70 -1.32 0.00 0.00 176.35 175.13 1i9r s GLU 109 N -0.60 2.87 -0.32 1.98 2.12 0.17 -3.51 118.70 121.41 1i9r s GLU 109 Ca 0.23 0.95 -0.21 0.00 0.36 0.00 0.00 54.97 56.30 1i9r s GLU 109 Cb -0.11 -1.98 -0.00 0.00 0.26 0.00 0.00 34.13 32.29 1i9r s GLU 109 CO -0.08 -1.15 0.69 0.42 -0.54 0.00 0.00 175.26 174.59 1i9r s ILE 110 N -3.04 4.87 0.74 -3.70 1.01 -1.26 -1.35 121.20 118.47 1i9r s ILE 110 Ca 0.58 0.90 -0.14 0.00 0.00 0.00 0.00 60.65 61.99 1i9r s ILE 110 Cb -0.14 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1i9r s ILE 110 CO 0.55 -0.22 1.18 -0.75 0.00 0.00 0.00 174.94 175.70 1i9r s LYS 111 N 2.76 2.12 -0.29 2.79 2.20 -0.32 -4.77 119.74 124.24 1i9r s LYS 111 Ca 0.27 1.67 -0.26 0.00 -0.36 0.00 0.00 55.97 57.29 1i9r s LYS 111 Cb -0.14 -1.84 0.18 0.00 -1.51 0.00 0.00 37.83 34.52 1i9r s LYS 111 CO 0.13 -1.83 1.37 -0.98 -0.36 0.00 0.00 175.35 173.68 1i9r s ARG 112 N -4.04 0.12 0.52 4.03 1.04 -1.26 -4.76 118.95 114.60 1i9r s ARG 112 Ca 0.72 0.10 -0.21 0.00 -1.04 0.00 0.00 55.73 55.30 1i9r s ARG 112 Cb -0.27 0.06 -0.07 0.00 -2.04 0.00 0.00 34.95 32.63 1i9r s ARG 112 CO 0.46 -0.02 1.12 0.25 -0.04 0.00 0.00 175.30 177.07 1i9r n THR 113 N 1.30 3.31 -0.85 4.99 -2.24 -1.26 -4.91 114.28 114.62 1i9r n THR 113 Ca -0.08 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 1i9r n THR 113 Cb 0.57 -1.34 0.10 0.00 -2.10 0.00 0.00 70.33 67.56 1i9r n THR 113 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1i9r n VAL 114 N -1.08 0.00 -3.64 2.28 0.31 -1.26 -4.90 118.33 110.03 1i9r n VAL 114 Ca 0.11 -0.28 -0.02 0.00 -0.01 0.00 0.00 64.34 64.14 1i9r n VAL 114 Cb 0.44 -0.40 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 1i9r n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i9r s ALA 115 N -2.23 -2.02 0.51 3.52 0.00 -0.06 -4.96 121.76 116.51 1i9r s ALA 115 Ca 0.50 2.36 -0.20 0.00 0.00 0.00 0.00 51.96 54.63 1i9r s ALA 115 Cb -0.17 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 1i9r s ALA 115 CO 0.72 -0.80 1.08 0.00 0.00 0.00 0.00 175.76 176.76 1i9r s ALA 116 N 2.59 2.79 0.36 0.00 0.00 -1.26 -2.41 121.76 123.82 1i9r s ALA 116 Ca -0.07 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 1i9r s ALA 116 Cb -0.10 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 1i9r s ALA 116 CO -0.19 -0.53 0.69 -1.25 0.00 0.00 0.00 175.76 174.48 1i9r s PRO 117 N -3.27 3.71 -0.38 0.00 0.04 -1.26 -4.59 135.00 129.25 1i9r s PRO 117 Ca 0.70 0.27 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 1i9r s PRO 117 Cb -0.20 -2.49 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1i9r s PRO 117 CO 0.23 0.05 0.21 -1.54 0.04 0.00 0.00 177.00 176.00 1i9r s SER 118 N -3.22 5.76 0.29 6.66 1.04 -0.89 -4.86 113.70 118.48 1i9r s SER 118 Ca 0.48 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.79 1i9r s SER 118 Cb -0.10 -2.03 -0.08 0.00 0.10 0.00 0.00 66.02 63.90 1i9r s SER 118 CO 0.31 -0.39 0.66 0.68 0.98 0.00 0.00 173.24 175.48 1i9r s VAL 119 N 1.56 4.79 -0.09 5.02 -7.23 -1.25 -0.55 120.40 122.65 1i9r s VAL 119 Ca 0.02 0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 60.86 1i9r s VAL 119 Cb -0.19 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.17 1i9r s VAL 119 CO 0.07 -0.16 0.21 -0.36 -0.31 0.00 0.00 175.10 174.55 1i9r s PHE 120 N -1.94 -0.27 -0.17 2.82 0.08 0.25 -4.94 117.98 113.80 1i9r s PHE 120 Ca 0.51 0.67 -0.03 0.00 0.12 0.00 0.00 56.93 58.20 1i9r s PHE 120 Cb -0.11 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.33 1i9r s PHE 120 CO 0.20 -0.20 -0.05 -1.50 -0.10 0.00 0.00 175.22 173.57 1i9r s ILE 121 N 1.13 3.67 -0.17 0.64 2.07 -1.26 -0.03 121.20 127.25 1i9r s ILE 121 Ca -0.08 -0.42 -0.04 0.00 -1.41 0.00 0.00 60.65 58.70 1i9r s ILE 121 Cb -0.10 -2.62 -0.02 0.00 0.13 0.00 0.00 42.46 39.84 1i9r s ILE 121 CO -0.07 0.47 -0.03 -0.36 -1.91 0.00 0.00 174.94 173.04 1i9r s PHE 122 N 0.70 3.01 0.22 3.50 0.08 0.13 -5.00 117.98 120.62 1i9r s PHE 122 Ca -0.02 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 1i9r s PHE 122 Cb -0.15 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1i9r s PHE 122 CO 0.02 -0.17 0.46 -1.25 -0.10 0.00 0.00 175.22 174.19 1i9r s PRO 123 N 0.68 3.63 -0.27 0.24 0.05 -1.26 -1.92 135.00 136.15 1i9r s PRO 123 Ca -0.02 -0.06 -0.26 0.00 0.05 0.00 0.00 61.00 60.71 1i9r s PRO 123 Cb -0.14 -2.75 -0.11 0.00 0.05 0.00 0.00 34.50 31.55 1i9r s PRO 123 CO 0.02 0.34 0.89 -2.30 0.05 0.00 0.00 177.00 176.01 1i9r n PRO 124 N -0.46 0.00 -1.67 0.56 -0.02 -1.26 -4.82 135.00 127.32 1i9r n PRO 124 Ca -0.02 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.02 1i9r n PRO 124 Cb 0.53 -0.85 -0.03 0.00 -0.02 0.00 0.00 33.50 33.13 1i9r n PRO 124 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1i9r n SER 125 N 2.21 3.94 -0.28 2.55 3.41 -1.26 -4.79 113.62 119.41 1i9r n SER 125 Ca 0.17 0.95 0.09 0.00 -0.26 0.00 0.00 58.87 59.82 1i9r n SER 125 Cb -0.03 -1.50 0.22 0.00 -0.26 0.00 0.00 64.21 62.65 1i9r n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1i9r h ASP 126 N 9.55 -0.11 -0.70 4.04 3.32 -2.00 1.04 116.42 131.56 1i9r h ASP 126 Ca -0.48 0.19 0.11 0.00 0.02 0.00 0.00 57.03 56.86 1i9r h ASP 126 Cb 1.24 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 41.02 1i9r h ASP 126 CO 0.94 -0.14 0.46 -0.08 -1.72 0.00 0.00 179.24 178.71 1i9r h GLU 127 N 0.19 0.50 0.00 3.56 4.81 -2.00 0.08 114.58 121.72 1i9r h GLU 127 Ca 0.48 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.61 1i9r h GLU 127 Cb 0.90 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1i9r h GLU 127 CO -0.63 0.33 -0.34 0.37 -0.73 0.00 0.00 179.01 178.01 1i9r h GLN 128 N 0.52 0.00 0.00 1.92 4.15 0.73 -3.05 115.11 119.38 1i9r h GLN 128 Ca 0.33 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.69 1i9r h GLN 128 Cb 0.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1i9r h GLN 128 CO -0.11 0.34 -0.28 -0.07 -1.93 0.00 0.00 178.83 176.78 1i9r h LEU 129 N 0.00 0.00 -0.60 -2.39 3.38 0.55 -2.68 115.31 113.57 1i9r h LEU 129 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i9r h LEU 129 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1i9r h LEU 129 CO 0.04 0.28 0.00 1.17 0.09 0.00 0.00 178.44 180.03 1i9r n LYS 130 N -3.28 0.67 -0.20 1.13 3.00 -1.01 -1.81 118.16 116.67 1i9r n LYS 130 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.34 1i9r n LYS 130 Cb 0.55 -1.20 0.03 0.00 0.00 0.00 0.00 35.03 34.41 1i9r n LYS 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i9r n SER 131 N -0.10 0.75 0.00 3.14 7.64 -1.01 -5.00 113.62 119.05 1i9r n SER 131 Ca 0.00 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1i9r n SER 131 Cb 0.10 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1i9r n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i9r n GLY 132 N -0.35 1.59 3.44 0.23 0.00 -0.75 -4.96 105.19 104.37 1i9r n GLY 132 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1i9r n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9r s THR 133 N -2.59 3.02 -0.18 2.61 2.01 -1.25 -0.00 115.64 119.25 1i9r s THR 133 Ca 0.00 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1i9r s THR 133 Cb 0.00 -2.20 0.04 0.00 0.01 0.00 0.00 72.50 70.35 1i9r s THR 133 CO 0.00 0.57 -0.07 0.00 -0.69 0.00 0.00 174.62 174.43 1i9r s ALA 134 N -0.38 1.71 -0.11 7.40 0.00 -0.60 -3.79 121.76 125.99 1i9r s ALA 134 Ca 0.04 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1i9r s ALA 134 Cb -0.12 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1i9r s ALA 134 CO 0.02 -0.80 -0.16 -1.54 0.00 0.00 0.00 175.76 173.28 1i9r s SER 135 N 1.53 2.45 -0.21 0.00 1.04 -1.26 0.22 113.70 117.46 1i9r s SER 135 Ca -0.00 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 55.93 1i9r s SER 135 Cb -0.16 -1.10 -0.03 0.00 0.10 0.00 0.00 66.02 64.83 1i9r s SER 135 CO -0.08 0.03 0.06 0.54 0.98 0.00 0.00 173.24 174.77 1i9r s VAL 136 N 0.91 4.51 -0.21 5.02 0.11 0.11 -4.15 120.40 126.69 1i9r s VAL 136 Ca -0.08 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 58.76 1i9r s VAL 136 Cb -0.15 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1i9r s VAL 136 CO -0.00 0.40 0.11 -0.69 -3.33 0.00 0.00 175.10 171.59 1i9r s VAL 137 N 0.95 5.03 0.02 2.04 1.01 -0.81 -0.40 120.40 128.25 1i9r s VAL 137 Ca 0.04 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1i9r s VAL 137 Cb -0.14 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1i9r s VAL 137 CO 0.03 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.50 1i9r s LEU 139 N -1.68 0.32 -0.54 0.00 2.96 0.96 -2.49 118.68 118.21 1i9r s LEU 139 Ca 0.20 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.97 1i9r s LEU 139 Cb -0.11 -0.17 0.08 0.00 0.50 0.00 0.00 46.19 46.49 1i9r s LEU 139 CO 0.11 -0.23 0.64 -0.76 -1.32 0.00 0.00 176.35 174.79 1i9r s LEU 140 N 2.00 5.27 0.22 -0.68 1.02 -0.92 -0.58 118.68 125.00 1i9r s LEU 140 Ca 0.03 -1.22 -0.14 0.00 0.02 0.00 0.00 54.13 52.82 1i9r s LEU 140 Cb -0.12 -2.35 -0.08 0.00 0.02 0.00 0.00 46.19 43.66 1i9r s LEU 140 CO -0.03 -0.97 0.62 0.21 0.02 0.00 0.00 176.35 176.19 1i9r s ASN 141 N 3.16 6.78 -0.31 2.29 3.04 0.28 -2.34 114.94 127.84 1i9r s ASN 141 Ca 0.12 1.12 -0.07 0.00 0.04 0.00 0.00 52.86 54.07 1i9r s ASN 141 Cb -0.22 -2.31 0.01 0.00 -1.54 0.00 0.00 41.25 37.19 1i9r s ASN 141 CO 0.08 -0.03 0.29 0.59 -3.04 0.00 0.00 177.10 174.99 1i9r n ASN 142 N 0.23 -2.31 -4.73 -4.21 4.13 -0.62 -2.11 115.26 105.64 1i9r n ASN 142 Ca -0.01 -0.30 -0.29 0.00 1.68 0.00 0.00 54.58 55.66 1i9r n ASN 142 Cb 0.52 -0.73 -0.08 0.00 -1.54 0.00 0.00 39.78 37.96 1i9r n ASN 142 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1i9r s PHE 143 N -1.73 2.19 -0.30 3.10 -0.71 0.27 -4.62 117.98 116.18 1i9r s PHE 143 Ca 0.07 -0.78 -0.27 0.00 -1.04 0.00 0.00 56.93 54.91 1i9r s PHE 143 Cb -0.01 -1.77 0.20 0.00 -1.21 0.00 0.00 43.02 40.23 1i9r s PHE 143 CO 0.41 0.21 1.42 -0.47 -1.34 0.00 0.00 175.22 175.45 1i9r s TYR 144 N -2.76 -0.02 1.18 3.49 5.04 -1.01 0.25 117.35 123.52 1i9r s TYR 144 Ca 0.25 0.04 -0.18 0.00 -2.44 0.00 0.00 57.07 54.74 1i9r s TYR 144 Cb 0.04 0.50 0.29 0.00 0.35 0.00 0.00 41.96 43.13 1i9r s TYR 144 CO 0.14 -0.01 0.65 -2.30 -1.34 0.00 0.00 175.55 172.68 1i9r n PRO 145 N 0.98 -3.48 0.10 4.97 -0.02 -1.26 -0.89 135.00 135.41 1i9r n PRO 145 Ca -0.04 -1.09 0.13 0.00 -2.02 0.00 0.00 63.50 60.48 1i9r n PRO 145 Cb 0.58 -1.58 0.42 0.00 -0.02 0.00 0.00 33.50 32.90 1i9r n PRO 145 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1i9r n ARG 146 N -4.03 0.24 -2.13 -0.52 0.63 -1.26 -4.80 116.66 104.78 1i9r n ARG 146 Ca 0.10 0.23 -0.43 0.00 -0.92 0.00 0.00 57.85 56.83 1i9r n ARG 146 Cb 0.45 -1.80 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 1i9r n ARG 146 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1i9r s GLU 147 N -3.12 4.10 -0.28 -0.14 8.01 -1.26 -4.96 118.70 121.06 1i9r s GLU 147 Ca 0.10 1.94 0.01 0.00 0.01 0.00 0.00 54.97 57.03 1i9r s GLU 147 Cb 0.12 -3.94 0.16 0.00 -4.31 0.00 0.00 34.13 26.16 1i9r s GLU 147 CO 0.57 -0.92 0.46 0.00 0.01 0.00 0.00 175.26 175.38 1i9r s ALA 148 N 4.18 -1.52 0.24 5.21 0.00 -1.26 -4.64 121.76 123.97 1i9r s ALA 148 Ca 0.68 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 1i9r s ALA 148 Cb -0.28 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1i9r s ALA 148 CO 0.26 -1.56 0.98 0.21 0.00 0.00 0.00 175.76 175.65 1i9r s LYS 149 N 2.64 4.79 -0.39 0.00 2.20 -0.65 -4.90 119.74 123.44 1i9r s LYS 149 Ca 0.12 1.57 0.02 0.00 -0.36 0.00 0.00 55.97 57.32 1i9r s LYS 149 Cb -0.13 -3.27 0.16 0.00 -1.51 0.00 0.00 37.83 33.08 1i9r s LYS 149 CO -0.24 0.41 0.31 0.08 -0.36 0.00 0.00 175.35 175.55 1i9r s VAL 150 N -1.06 0.11 0.32 4.02 1.01 -1.26 0.38 120.40 123.92 1i9r s VAL 150 Ca 0.42 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.22 1i9r s VAL 150 Cb -0.27 -1.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 1i9r s VAL 150 CO 0.34 -1.01 0.81 -1.58 0.00 0.00 0.00 175.10 173.66 1i9r s GLN 151 N 0.67 4.20 -0.00 2.72 0.74 0.35 -4.84 119.66 123.49 1i9r s GLN 151 Ca 0.25 0.91 0.01 0.00 0.05 0.00 0.00 55.36 56.58 1i9r s GLN 151 Cb -0.09 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.42 1i9r s GLN 151 CO -0.09 0.20 0.01 -1.58 -0.55 0.00 0.00 175.29 173.28 1i9r s TRP 152 N -1.84 3.09 -0.11 1.67 0.52 -1.26 -0.07 118.94 120.94 1i9r s TRP 152 Ca 0.52 0.09 -0.03 0.00 0.02 0.00 0.00 56.10 56.70 1i9r s TRP 152 Cb -0.13 -1.68 0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1i9r s TRP 152 CO 0.18 0.47 0.05 0.15 0.02 0.00 0.00 176.95 177.82 1i9r s LYS 153 N -1.55 0.20 -0.29 4.98 1.02 0.28 0.14 119.74 124.52 1i9r s LYS 153 Ca 0.20 0.08 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 1i9r s LYS 153 Cb -0.12 -1.21 -0.00 0.00 -0.52 0.00 0.00 37.83 35.98 1i9r s LYS 153 CO 0.10 -0.47 0.11 0.08 -0.92 0.00 0.00 175.35 174.25 1i9r s VAL 154 N 2.08 4.28 -1.40 3.17 1.01 0.30 -0.35 120.40 129.48 1i9r s VAL 154 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1i9r s VAL 154 Cb -0.14 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1i9r s VAL 154 CO -0.06 0.12 0.61 0.47 0.00 0.00 0.00 175.10 176.24 1i9r n ASP 155 N 4.92 -1.32 0.00 3.32 9.92 0.22 0.50 116.55 134.11 1i9r n ASP 155 Ca -0.15 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.20 1i9r n ASP 155 Cb 0.49 -3.50 0.00 0.00 -0.64 0.00 0.00 41.12 37.47 1i9r n ASP 155 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1i9r n ASN 156 N -2.97 0.00 -4.57 -2.24 3.02 -1.26 -4.93 115.26 102.31 1i9r n ASN 156 Ca -0.24 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.89 1i9r n ASN 156 Cb 0.65 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1i9r n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i9r s ALA 157 N -2.13 2.87 -0.49 5.41 0.00 0.18 -4.94 121.76 122.66 1i9r s ALA 157 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 1i9r s ALA 157 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 23.12 18.91 1i9r s ALA 157 CO 0.00 -2.95 2.41 -0.11 0.00 0.00 0.00 175.76 175.11 1i9r n LEU 158 N 9.01 2.28 -4.25 0.00 -0.00 -1.26 -0.54 117.00 122.24 1i9r n LEU 158 Ca 0.07 -0.33 -0.34 0.00 -0.00 0.00 0.00 56.01 55.41 1i9r n LEU 158 Cb 0.49 -1.52 0.10 0.00 -0.00 0.00 0.00 43.42 42.49 1i9r n LEU 158 CO 0.71 -1.37 -0.65 0.00 -0.00 0.00 0.00 177.39 176.08 1i9r n GLN 159 N 8.91 -0.42 0.00 1.96 1.13 0.37 -4.86 117.38 124.46 1i9r n GLN 159 Ca 0.38 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1i9r n GLN 159 Cb 0.48 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.29 1i9r n GLN 159 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1i9r n SER 160 N 0.25 0.00 0.00 1.08 2.88 -1.26 -4.61 113.62 111.96 1i9r n SER 160 Ca 0.03 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1i9r n SER 160 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1i9r n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i9r n GLY 161 N 0.00 1.31 2.87 0.46 0.00 -1.26 -4.96 105.19 103.62 1i9r n GLY 161 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1i9r n GLY 161 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i9r s ASN 162 N -1.10 1.37 -0.04 1.61 -0.87 -1.26 -5.08 114.94 109.56 1i9r s ASN 162 Ca 0.00 -0.15 -0.23 0.00 -1.57 0.00 0.00 52.86 50.91 1i9r s ASN 162 Cb 0.00 -0.53 0.05 0.00 -0.02 0.00 0.00 41.25 40.75 1i9r s ASN 162 CO 0.00 -0.10 0.50 -0.94 -2.57 0.00 0.00 177.10 173.99 1i9r s SER 163 N 1.33 -0.43 -0.10 -1.22 1.04 -1.26 -3.95 113.70 109.11 1i9r s SER 163 Ca -0.04 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.82 1i9r s SER 163 Cb -0.14 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1i9r s SER 163 CO -0.02 -0.52 -0.10 -1.10 0.98 0.00 0.00 173.24 172.47 1i9r s GLN 164 N -1.21 1.68 0.21 4.02 -0.21 -1.19 -4.92 119.66 118.04 1i9r s GLN 164 Ca -0.12 -0.35 -0.06 0.00 0.02 0.00 0.00 55.36 54.85 1i9r s GLN 164 Cb -0.03 -1.56 -0.06 0.00 1.00 0.00 0.00 33.01 32.36 1i9r s GLN 164 CO 0.07 -0.13 0.47 -1.21 -2.12 0.00 0.00 175.29 172.37 1i9r s GLU 165 N 1.23 3.66 -0.12 2.91 2.02 -1.26 -0.58 118.70 126.56 1i9r s GLU 165 Ca -0.04 0.00 -0.13 0.00 0.02 0.00 0.00 54.97 54.83 1i9r s GLU 165 Cb -0.14 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.38 1i9r s GLU 165 CO -0.03 0.35 0.35 0.45 0.02 0.00 0.00 175.26 176.40 1i9r s SER 166 N -2.70 -0.35 0.32 -0.19 0.15 -1.08 -4.94 113.70 104.91 1i9r s SER 166 Ca 0.43 0.65 0.07 0.00 0.70 0.00 0.00 55.95 57.81 1i9r s SER 166 Cb -0.11 0.68 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 1i9r s SER 166 CO 0.26 -0.15 -0.05 -0.69 1.20 0.00 0.00 173.24 173.80 1i9r s VAL 167 N 0.04 1.84 0.30 4.45 1.01 -1.26 0.32 120.40 127.11 1i9r s VAL 167 Ca -0.01 -2.13 0.10 0.00 0.00 0.00 0.00 61.98 59.94 1i9r s VAL 167 Cb -0.03 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1i9r s VAL 167 CO 0.01 -0.20 -0.02 0.42 0.00 0.00 0.00 175.10 175.30 1i9r s THR 168 N -2.87 2.91 0.54 3.92 -4.23 -0.89 -5.00 115.64 110.03 1i9r s THR 168 Ca 0.32 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.65 1i9r s THR 168 Cb 0.04 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 1i9r s THR 168 CO 0.14 -0.30 1.03 -1.61 -0.54 0.00 0.00 174.62 173.35 1i9r s GLU 169 N -3.67 3.64 0.14 3.99 8.01 -1.26 -4.59 118.70 124.95 1i9r s GLU 169 Ca 0.33 1.16 -0.31 0.00 0.01 0.00 0.00 54.97 56.16 1i9r s GLU 169 Cb -0.03 -2.08 -0.17 0.00 -4.31 0.00 0.00 34.13 27.53 1i9r s GLU 169 CO 0.19 -0.54 0.67 1.04 0.01 0.00 0.00 175.26 176.62 1i9r n GLN 170 N -1.63 0.00 -1.92 1.61 6.02 -1.26 -4.79 117.38 115.42 1i9r n GLN 170 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.67 1i9r n GLN 170 Cb 0.53 -1.12 -0.00 0.00 1.02 0.00 0.00 30.24 30.67 1i9r n GLN 170 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1i9r s ASP 171 N -0.68 6.35 0.15 1.08 2.15 -0.84 -4.73 116.67 120.16 1i9r s ASP 171 Ca 0.70 2.88 0.21 0.00 0.43 0.00 0.00 52.55 56.77 1i9r s ASP 171 Cb -1.01 -2.66 0.85 0.00 -0.30 0.00 0.00 42.92 39.80 1i9r s ASP 171 CO 0.55 -0.85 1.63 -1.54 -0.17 0.00 0.00 175.17 174.80 1i9r n SER 172 N 0.37 0.39 -0.07 -0.34 3.41 -1.26 -0.38 113.62 115.73 1i9r n SER 172 Ca 0.02 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1i9r n SER 172 Cb 0.41 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1i9r n SER 172 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i9r n LYS 173 N -1.93 0.46 -0.07 4.33 5.02 -1.26 -4.76 118.16 119.95 1i9r n LYS 173 Ca 0.03 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.60 1i9r n LYS 173 Cb 0.23 -1.31 0.12 0.00 -0.02 0.00 0.00 35.03 34.05 1i9r n LYS 173 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1i9r n ASP 174 N -4.31 2.81 -3.71 4.39 5.68 -1.25 -4.99 116.55 115.18 1i9r n ASP 174 Ca -0.15 -1.84 -0.24 0.00 -0.50 0.00 0.00 54.79 52.06 1i9r n ASP 174 Cb 0.48 -0.10 0.03 0.00 -1.14 0.00 0.00 41.12 40.39 1i9r n ASP 174 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i9r n SER 175 N 1.09 -2.47 -4.08 -1.12 7.64 0.49 -4.85 113.62 110.33 1i9r n SER 175 Ca 0.13 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.98 1i9r n SER 175 Cb 0.49 -3.79 -0.11 0.00 -1.01 0.00 0.00 64.21 59.79 1i9r n SER 175 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1i9r s THR 176 N -3.65 0.60 0.81 0.44 -4.23 -1.26 -4.57 115.64 103.78 1i9r s THR 176 Ca 0.16 -1.14 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1i9r s THR 176 Cb -0.05 -0.69 0.09 0.00 1.34 0.00 0.00 72.50 73.19 1i9r s THR 176 CO 0.83 -0.39 1.16 -0.31 -0.54 0.00 0.00 174.62 175.37 1i9r s TYR 177 N -1.46 2.72 -0.30 3.99 2.02 0.69 -1.98 117.35 123.04 1i9r s TYR 177 Ca -0.08 0.59 -0.10 0.00 -0.37 0.00 0.00 57.07 57.11 1i9r s TYR 177 Cb -0.09 -3.51 0.13 0.00 -0.40 0.00 0.00 41.96 38.09 1i9r s TYR 177 CO 0.00 -1.82 0.64 -1.12 -1.57 0.00 0.00 175.55 171.69 1i9r s SER 178 N -4.61 -1.12 0.26 2.29 0.01 -1.26 0.94 113.70 110.20 1i9r s SER 178 Ca 0.63 1.53 0.10 0.00 1.31 0.00 0.00 55.95 59.52 1i9r s SER 178 Cb -0.10 2.27 -0.04 0.00 0.21 0.00 0.00 66.02 68.36 1i9r s SER 178 CO 0.48 -0.22 -0.02 -0.22 0.41 0.00 0.00 173.24 173.67 1i9r s LEU 179 N 2.89 3.16 -0.29 2.44 0.20 -0.99 -2.10 118.68 123.99 1i9r s LEU 179 Ca -0.05 -0.66 -0.03 0.00 0.69 0.00 0.00 54.13 54.08 1i9r s LEU 179 Cb -0.12 -1.69 0.10 0.00 -0.43 0.00 0.00 46.19 44.05 1i9r s LEU 179 CO -0.19 0.01 0.12 -0.94 -0.29 0.00 0.00 176.35 175.06 1i9r s SER 180 N -3.61 3.64 -0.20 3.68 1.04 0.15 -2.18 113.70 116.23 1i9r s SER 180 Ca 0.31 -1.37 -0.22 0.00 0.48 0.00 0.00 55.95 55.15 1i9r s SER 180 Cb -0.06 -0.50 -0.02 0.00 0.10 0.00 0.00 66.02 65.53 1i9r s SER 180 CO 0.19 -0.43 0.70 -0.55 0.98 0.00 0.00 173.24 174.13 1i9r s SER 181 N 1.95 6.76 -0.49 7.02 0.15 -1.04 -2.64 113.70 125.42 1i9r s SER 181 Ca 0.09 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.69 1i9r s SER 181 Cb -0.16 -2.38 0.13 0.00 -1.71 0.00 0.00 66.02 61.89 1i9r s SER 181 CO -0.32 -0.33 0.24 -0.89 1.20 0.00 0.00 173.24 173.14 1i9r s THR 182 N 2.07 2.87 0.49 6.45 2.01 0.26 -0.98 115.64 128.81 1i9r s THR 182 Ca 0.32 -2.83 -0.23 0.00 0.31 0.00 0.00 61.69 59.26 1i9r s THR 182 Cb -0.16 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 1i9r s THR 182 CO 0.11 -0.76 1.26 -0.22 -0.69 0.00 0.00 174.62 174.33 1i9r s LEU 183 N 0.24 3.96 -0.20 4.42 2.96 0.46 -3.15 118.68 127.38 1i9r s LEU 183 Ca 0.14 2.54 -0.04 0.00 -0.22 0.00 0.00 54.13 56.55 1i9r s LEU 183 Cb -0.23 -4.22 0.08 0.00 0.50 0.00 0.00 46.19 42.33 1i9r s LEU 183 CO -0.03 -1.20 0.17 0.28 -1.32 0.00 0.00 176.35 174.25 1i9r s THR 184 N -1.41 -0.23 0.41 3.68 -1.32 -1.25 0.06 115.64 115.57 1i9r s THR 184 Ca 0.66 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1i9r s THR 184 Cb -0.35 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1i9r s THR 184 CO 0.42 -0.27 0.31 -0.76 -2.21 0.00 0.00 174.62 172.11 1i9r s LEU 185 N 2.25 3.33 0.05 9.08 1.43 0.13 -4.96 118.68 130.00 1i9r s LEU 185 Ca 0.05 -0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 52.11 1i9r s LEU 185 Cb -0.16 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 1i9r s LEU 185 CO -0.13 -0.58 0.70 -0.94 0.23 0.00 0.00 176.35 175.63 1i9r s SER 186 N -4.05 7.16 0.28 2.29 1.04 -1.26 -1.56 113.70 117.61 1i9r s SER 186 Ca 0.45 1.39 0.18 0.00 0.48 0.00 0.00 55.95 58.45 1i9r s SER 186 Cb -0.02 -2.44 1.01 0.00 0.10 0.00 0.00 66.02 64.68 1i9r s SER 186 CO 0.26 0.09 1.14 1.17 0.98 0.00 0.00 173.24 176.88 1i9r n LYS 187 N 2.49 -0.04 0.00 4.02 0.00 1.00 0.75 118.16 126.37 1i9r n LYS 187 Ca -0.05 0.97 0.00 0.00 0.00 0.00 0.00 58.31 59.23 1i9r n LYS 187 Cb 0.50 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.74 1i9r n LYS 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i9r n ALA 188 N -2.49 -0.28 -0.32 3.14 0.00 -1.26 -0.87 120.51 118.43 1i9r n ALA 188 Ca 0.28 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.91 1i9r n ALA 188 Cb 1.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.82 1i9r n ALA 188 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i9r h ASP 189 N 0.00 -0.05 0.60 0.00 5.19 -0.04 0.16 116.42 122.28 1i9r h ASP 189 Ca 0.00 0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1i9r h ASP 189 Cb 0.00 0.33 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1i9r h ASP 189 CO 0.00 -0.29 -0.32 0.22 -3.12 0.00 0.00 179.24 175.73 1i9r h TYR 190 N 0.10 -0.85 0.00 4.55 3.20 -0.35 -0.22 116.97 123.41 1i9r h TYR 190 Ca 0.65 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1i9r h TYR 190 Cb 1.45 0.29 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1i9r h TYR 190 CO -0.27 -0.51 0.04 0.39 -1.64 0.00 0.00 178.16 176.17 1i9r n GLU 191 N -5.47 0.13 0.13 1.82 1.02 0.36 -1.33 120.64 117.29 1i9r n GLU 191 Ca -0.13 0.62 0.13 0.00 -0.02 0.00 0.00 57.16 57.76 1i9r n GLU 191 Cb 0.36 -1.95 0.39 0.00 -0.02 0.00 0.00 31.44 30.22 1i9r n GLU 191 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1i9r h LYS 192 N 0.00 0.00 -5.48 3.49 2.10 0.93 -3.47 116.57 114.14 1i9r h LYS 192 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1i9r h LYS 192 Cb 0.07 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.27 1i9r h LYS 192 CO 0.00 0.00 -0.63 -1.01 -2.00 0.00 0.00 179.45 175.81 1i9r s HIS 193 N -3.16 2.15 -0.13 0.07 3.76 -0.45 -5.07 115.29 112.46 1i9r s HIS 193 Ca 0.09 -0.77 -0.12 0.00 -0.15 0.00 0.00 55.06 54.11 1i9r s HIS 193 Cb 0.11 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 1i9r s HIS 193 CO 0.58 0.25 -0.24 1.17 -0.85 0.00 0.00 174.74 175.66 1i9r n LYS 194 N -0.74 0.40 -4.07 1.40 3.00 -1.26 -4.66 118.16 112.23 1i9r n LYS 194 Ca -0.04 0.26 -0.35 0.00 -0.00 0.00 0.00 58.31 58.18 1i9r n LYS 194 Cb 0.66 -1.33 -0.13 0.00 0.00 0.00 0.00 35.03 34.23 1i9r n LYS 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1i9r s VAL 195 N -2.36 3.92 -0.14 3.15 -7.23 -1.26 -1.31 120.40 115.17 1i9r s VAL 195 Ca -0.20 -0.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.62 1i9r s VAL 195 Cb 0.03 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1i9r s VAL 195 CO 0.29 0.43 -0.04 -0.31 -0.31 0.00 0.00 175.10 175.16 1i9r s TYR 196 N 1.02 3.01 -0.11 2.82 2.02 -0.69 0.72 117.35 126.14 1i9r s TYR 196 Ca 0.02 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 1i9r s TYR 196 Cb -0.14 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1i9r s TYR 196 CO 0.02 0.03 0.25 0.00 -1.57 0.00 0.00 175.55 174.28 1i9r s ALA 197 N 0.14 -0.57 -0.23 3.71 0.00 0.53 -1.75 121.76 123.59 1i9r s ALA 197 Ca -0.01 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1i9r s ALA 197 Cb -0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1i9r s ALA 197 CO 0.03 -0.32 0.18 0.00 0.00 0.00 0.00 175.76 175.64 1i9r s GLU 199 N 1.00 3.28 -0.10 0.00 2.12 0.90 -1.38 118.70 124.53 1i9r s GLU 199 Ca 0.08 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.72 1i9r s GLU 199 Cb -0.13 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1i9r s GLU 199 CO 0.04 -0.22 -0.04 0.54 -0.54 0.00 0.00 175.26 175.05 1i9r s VAL 200 N 1.44 3.97 -0.07 3.70 0.11 -0.63 -0.50 120.40 128.42 1i9r s VAL 200 Ca 0.05 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1i9r s VAL 200 Cb -0.14 -2.67 -0.02 0.00 -1.53 0.00 0.00 36.38 32.02 1i9r s VAL 200 CO -0.05 0.57 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.25 1i9r s THR 201 N -0.50 2.91 -0.29 5.04 2.01 0.16 -2.34 115.64 122.63 1i9r s THR 201 Ca 0.08 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 1i9r s THR 201 Cb -0.12 -2.15 0.16 0.00 0.01 0.00 0.00 72.50 70.41 1i9r s THR 201 CO 0.02 0.57 1.11 -2.28 -0.69 0.00 0.00 174.62 173.36 1i9r s HIS 202 N -0.40 -0.37 0.13 4.92 5.04 -1.26 -1.63 115.29 121.72 1i9r s HIS 202 Ca 0.04 0.77 -0.01 0.00 -1.54 0.00 0.00 55.06 54.32 1i9r s HIS 202 Cb -0.12 0.28 0.27 0.00 0.04 0.00 0.00 32.58 33.06 1i9r s HIS 202 CO 0.02 -0.18 0.67 0.94 -2.34 0.00 0.00 174.74 173.85 1i9r n GLN 203 N 3.07 -0.04 0.24 2.88 7.27 -1.26 -0.13 117.38 129.41 1i9r n GLN 203 Ca -0.16 0.66 -0.16 0.00 0.07 0.00 0.00 57.00 57.40 1i9r n GLN 203 Cb 0.57 -1.02 -0.09 0.00 2.41 0.00 0.00 30.24 32.11 1i9r n GLN 203 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1i9r h GLY 204 N 0.00 -1.21 -6.11 1.69 0.00 -1.85 -3.41 103.07 92.17 1i9r h GLY 204 Ca 0.24 0.57 -0.70 0.00 0.00 0.00 0.00 47.33 47.44 1i9r h GLY 204 CO -0.42 -0.35 0.92 1.04 0.00 0.00 0.00 176.54 177.72 1i9r n LEU 205 N -5.18 2.59 0.33 3.11 4.32 0.81 -4.75 117.00 118.24 1i9r n LEU 205 Ca -0.10 1.05 0.22 0.00 -0.02 0.00 0.00 56.01 57.16 1i9r n LEU 205 Cb 0.41 -1.20 1.17 0.00 -1.62 0.00 0.00 43.42 42.17 1i9r n LEU 205 CO 0.22 -0.38 1.17 -1.28 -1.22 0.00 0.00 177.39 175.90 1i9r h SER 206 N 7.46 0.00 -4.47 -1.43 0.87 -1.82 -3.44 113.55 110.71 1i9r h SER 206 Ca -0.47 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.24 1i9r h SER 206 Cb 1.31 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.10 1i9r h SER 206 CO 0.94 0.00 0.59 -0.44 -0.53 0.00 0.00 176.83 177.40 1i9r s SER 207 N -5.04 -0.30 -0.36 6.23 0.01 -1.26 -5.12 113.70 107.86 1i9r s SER 207 Ca -0.05 0.03 -0.37 0.00 1.31 0.00 0.00 55.95 56.87 1i9r s SER 207 Cb 0.12 0.30 -0.13 0.00 0.21 0.00 0.00 66.02 66.53 1i9r s SER 207 CO 0.39 -0.48 2.15 -2.65 0.41 0.00 0.00 173.24 173.06 1i9r n PRO 208 N -0.12 0.93 -2.93 12.44 -0.02 -1.26 -4.92 135.00 139.11 1i9r n PRO 208 Ca -0.06 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1i9r n PRO 208 Cb 0.60 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1i9r n PRO 208 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i9r s VAL 209 N 6.84 4.91 0.04 -1.45 1.01 -0.99 -4.92 120.40 125.84 1i9r s VAL 209 Ca 1.10 1.56 0.03 0.00 0.00 0.00 0.00 61.98 64.67 1i9r s VAL 209 Cb -0.97 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 31.27 1i9r s VAL 209 CO 0.53 0.06 0.02 -0.89 0.00 0.00 0.00 175.10 174.81 1i9r s THR 210 N 2.00 4.20 -0.17 3.92 2.01 -1.26 -1.61 115.64 124.73 1i9r s THR 210 Ca 0.37 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 1i9r s THR 210 Cb -0.17 -2.94 0.06 0.00 0.01 0.00 0.00 72.50 69.46 1i9r s THR 210 CO 0.13 0.26 0.05 -0.75 -0.69 0.00 0.00 174.62 173.62 1i9r s LYS 211 N -1.90 0.41 0.36 4.92 2.47 -0.48 -5.00 119.74 120.52 1i9r s LYS 211 Ca 0.23 -0.21 0.04 0.00 -1.56 0.00 0.00 55.97 54.47 1i9r s LYS 211 Cb -0.12 -1.83 -0.06 0.00 -1.46 0.00 0.00 37.83 34.36 1i9r s LYS 211 CO 0.14 -0.60 0.05 -1.54 0.16 0.00 0.00 175.35 173.56 1i9r s SER 212 N 1.98 2.82 0.19 1.43 1.04 -1.26 -1.99 113.70 117.90 1i9r s SER 212 Ca 0.01 -1.40 -0.22 0.00 0.48 0.00 0.00 55.95 54.82 1i9r s SER 212 Cb -0.16 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 65.90 1i9r s SER 212 CO -0.08 -0.59 0.62 0.72 0.98 0.00 0.00 173.24 174.89 1i9r s PHE 213 N -3.13 -0.46 0.00 5.02 -0.71 -0.72 -5.00 117.98 112.98 1i9r s PHE 213 Ca 0.35 0.19 0.08 0.00 -1.04 0.00 0.00 56.93 56.51 1i9r s PHE 213 Cb 0.09 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.46 1i9r s PHE 213 CO 0.16 -0.93 -0.25 -0.80 -1.34 0.00 0.00 175.22 172.06 1i9r s ASN 214 N -2.79 2.94 0.00 1.98 -0.87 -1.26 -1.70 114.94 113.24 1i9r s ASN 214 Ca 0.03 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 50.83 1i9r s ASN 214 Cb -0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 1i9r s ASN 214 CO -0.09 0.28 0.31 0.54 -2.57 0.00 0.00 177.10 175.58