#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bmj n ARG 66 N 0.00 2.78 -2.21 0.03 0.63 -1.26 -4.94 116.66 111.70 2bmj n ARG 66 Ca 0.00 1.00 -0.35 0.00 -0.92 0.00 0.00 57.85 57.58 2bmj n ARG 66 Cb 0.00 -2.84 0.01 0.00 0.45 0.00 0.00 32.46 30.08 2bmj n ARG 66 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2bmj s SER 67 N 1.04 5.64 -0.45 6.15 0.01 -1.26 -5.02 113.70 119.81 2bmj s SER 67 Ca 0.73 2.18 0.04 0.00 1.31 0.00 0.00 55.95 60.20 2bmj s SER 67 Cb -0.50 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.27 2bmj s SER 67 CO 0.36 -1.27 0.20 -0.63 0.41 0.00 0.00 173.24 172.30 2bmj s ILE 68 N -1.80 2.27 0.31 1.44 1.01 -1.26 -5.10 121.20 118.07 2bmj s ILE 68 Ca 0.73 -2.89 -0.29 0.00 0.00 0.00 0.00 60.65 58.20 2bmj s ILE 68 Cb -0.24 -2.61 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 2bmj s ILE 68 CO 0.28 -0.76 1.31 -2.16 0.00 0.00 0.00 174.94 173.61 2bmj s PRO 69 N 0.18 4.37 -0.02 2.79 0.04 -1.26 -4.83 135.00 136.26 2bmj s PRO 69 Ca 0.15 2.19 0.04 0.00 0.04 0.00 0.00 61.00 63.42 2bmj s PRO 69 Cb -0.24 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 2bmj s PRO 69 CO -0.03 -0.19 -0.15 -2.00 0.04 0.00 0.00 177.00 174.67 2bmj s GLU 70 N -1.51 1.36 -0.12 4.56 2.12 -1.26 -0.48 118.70 123.37 2bmj s GLU 70 Ca 0.50 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.33 2bmj s GLU 70 Cb -0.39 -1.25 -0.00 0.00 0.26 0.00 0.00 34.13 32.74 2bmj s GLU 70 CO 0.50 0.26 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.77 2bmj s LEU 71 N -0.14 2.26 -0.33 2.70 1.43 0.47 -4.96 118.68 120.11 2bmj s LEU 71 Ca 0.01 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 2bmj s LEU 71 Cb -0.08 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2bmj s LEU 71 CO 0.00 0.14 0.13 -0.13 0.23 0.00 0.00 176.35 176.72 2bmj s ARG 72 N 0.49 2.84 -0.18 1.70 0.52 -1.26 -0.70 118.95 122.36 2bmj s ARG 72 Ca -0.14 -1.04 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2bmj s ARG 72 Cb -0.17 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 31.80 2bmj s ARG 72 CO 0.05 -0.60 -0.16 -0.51 0.02 0.00 0.00 175.30 174.10 2bmj s LEU 73 N 1.48 2.35 0.26 2.53 1.43 0.79 -0.51 118.68 127.02 2bmj s LEU 73 Ca 0.01 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2bmj s LEU 73 Cb -0.19 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2bmj s LEU 73 CO 0.04 0.01 0.45 -0.83 0.23 0.00 0.00 176.35 176.25 2bmj s GLY 74 N 1.24 1.55 -0.05 -3.19 0.00 0.94 -1.42 107.32 106.39 2bmj s GLY 74 Ca 0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 2bmj s GLY 74 CO -0.08 -0.86 0.02 0.14 0.00 0.00 0.00 173.10 172.32 2bmj s VAL 75 N -2.05 0.15 0.11 1.40 1.01 0.17 -0.48 120.40 120.71 2bmj s VAL 75 Ca 0.39 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.66 2bmj s VAL 75 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2bmj s VAL 75 CO 0.31 0.19 -0.21 -0.76 0.00 0.00 0.00 175.10 174.64 2bmj s LEU 76 N 1.69 2.31 0.00 3.92 1.43 0.24 -1.82 118.68 126.46 2bmj s LEU 76 Ca -0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2bmj s LEU 76 Cb -0.13 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2bmj s LEU 76 CO -0.03 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2bmj n GLY 77 N 1.01 2.99 3.90 -3.19 0.00 -1.26 -0.85 105.19 107.79 2bmj n GLY 77 Ca -0.19 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2bmj n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2bmj s ASP 78 N 0.00 2.98 0.27 1.61 -4.77 -1.26 -4.79 116.67 110.71 2bmj s ASP 78 Ca 0.00 0.31 0.24 0.00 -3.30 0.00 0.00 52.55 49.80 2bmj s ASP 78 Cb 0.00 -0.39 1.01 0.00 -1.09 0.00 0.00 42.92 42.45 2bmj s ASP 78 CO 0.00 -2.82 1.72 0.00 0.70 0.00 0.00 175.17 174.76 2bmj n ALA 79 N -3.84 1.60 1.14 2.11 0.00 -1.26 -1.31 120.51 118.95 2bmj n ALA 79 Ca 0.15 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.81 2bmj n ALA 79 Cb 0.59 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 18.85 2bmj n ALA 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2bmj n ARG 80 N -2.27 1.68 0.18 0.00 -4.01 -1.26 -4.53 116.66 106.46 2bmj n ARG 80 Ca 0.02 -1.28 0.03 0.00 -1.04 0.00 0.00 57.85 55.59 2bmj n ARG 80 Cb 0.21 -1.47 0.35 0.00 -3.04 0.00 0.00 32.46 28.51 2bmj n ARG 80 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 2bmj h SER 81 N 3.11 0.00 0.00 2.89 4.64 -1.50 -3.39 113.55 119.30 2bmj h SER 81 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bmj h SER 81 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2bmj h SER 81 CO 0.00 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 2bmj n GLY 82 N -0.17 0.75 0.27 -0.77 0.00 -1.26 -3.45 105.19 100.55 2bmj n GLY 82 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 2bmj n GLY 82 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2bmj h LYS 83 N 2.21 0.49 -0.15 1.61 2.10 -1.91 -1.81 116.57 119.11 2bmj h LYS 83 Ca 0.00 -0.11 -0.11 0.00 -2.00 0.00 0.00 60.65 58.43 2bmj h LYS 83 Cb 0.00 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2bmj h LYS 83 CO 0.00 0.54 -0.33 0.77 -2.00 0.00 0.00 179.45 178.43 2bmj h SER 84 N 0.47 0.55 -0.51 7.07 0.02 -1.94 -1.78 113.55 117.42 2bmj h SER 84 Ca 0.10 -0.56 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2bmj h SER 84 Cb 0.35 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2bmj h SER 84 CO 0.01 1.01 0.18 0.28 -1.14 0.00 0.00 176.83 177.17 2bmj h SER 85 N 0.11 0.78 -0.27 3.07 0.02 -1.72 -0.61 113.55 114.92 2bmj h SER 85 Ca 0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2bmj h SER 85 Cb 0.93 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2bmj h SER 85 CO 0.07 0.73 0.10 0.25 -1.14 0.00 0.00 176.83 176.85 2bmj h LEU 86 N 0.82 0.38 -0.61 5.07 5.85 -1.22 -0.34 115.31 125.26 2bmj h LEU 86 Ca 0.19 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2bmj h LEU 86 Cb 0.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2bmj h LEU 86 CO -0.01 0.45 0.14 0.40 -0.34 0.00 0.00 178.44 179.08 2bmj h ILE 87 N 0.28 1.25 -0.52 4.05 2.04 -1.15 -2.32 117.51 121.14 2bmj h ILE 87 Ca 0.09 -0.93 -0.12 0.00 1.00 0.00 0.00 64.86 64.89 2bmj h ILE 87 Cb 0.20 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2bmj h ILE 87 CO -0.01 0.35 -0.16 -0.74 0.00 0.00 0.00 178.15 177.59 2bmj h HIS 88 N 0.89 1.16 -0.19 1.37 2.76 -0.98 -2.09 115.15 118.07 2bmj h HIS 88 Ca 0.19 -0.26 0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2bmj h HIS 88 Cb 0.37 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 2bmj h HIS 88 CO 0.03 1.09 0.01 -0.09 -1.30 0.00 0.00 177.93 177.67 2bmj h ARG 89 N 0.90 0.08 -0.38 5.26 9.65 -1.00 -1.56 114.38 127.32 2bmj h ARG 89 Ca 0.13 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 2bmj h ARG 89 Cb 0.74 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2bmj h ARG 89 CO 0.06 0.05 0.25 0.35 2.80 0.00 0.00 179.97 183.48 2bmj h PHE 90 N 0.08 0.46 -0.42 2.20 3.57 -1.17 0.22 116.94 121.88 2bmj h PHE 90 Ca 0.09 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 2bmj h PHE 90 Cb 0.10 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2bmj h PHE 90 CO -0.16 0.29 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.82 2bmj h LEU 91 N 0.50 1.01 0.00 0.59 3.38 -1.29 -3.38 115.31 116.12 2bmj h LEU 91 Ca 0.14 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2bmj h LEU 91 Cb -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.43 2bmj h LEU 91 CO -0.04 1.24 -0.82 0.35 0.09 0.00 0.00 178.44 179.25 2bmj n THR 92 N -4.08 0.00 -0.13 0.22 -2.24 -0.60 -5.01 114.28 102.44 2bmj n THR 92 Ca -0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2bmj n THR 92 Cb 0.51 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2bmj n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bmj n GLY 93 N 1.92 2.60 3.86 3.38 0.00 0.77 -5.03 105.19 112.70 2bmj n GLY 93 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2bmj n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bmj s SER 94 N -3.78 6.72 -0.18 1.61 0.01 -1.26 -4.95 113.70 111.86 2bmj s SER 94 Ca 0.00 0.88 -0.14 0.00 1.31 0.00 0.00 55.95 58.00 2bmj s SER 94 Cb 0.00 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2bmj s SER 94 CO 0.00 0.20 0.32 -0.47 0.41 0.00 0.00 173.24 173.70 2bmj s TYR 95 N -1.32 3.42 -0.00 2.43 5.04 -1.26 -3.19 117.35 122.47 2bmj s TYR 95 Ca 0.31 0.58 0.01 0.00 -2.44 0.00 0.00 57.07 55.54 2bmj s TYR 95 Cb -0.15 -2.40 -0.00 0.00 0.35 0.00 0.00 41.96 39.76 2bmj s TYR 95 CO 0.17 0.15 -0.04 -0.65 -1.34 0.00 0.00 175.55 173.83 2bmj s GLN 96 N 0.77 0.36 -0.54 4.97 -1.52 -1.26 -5.07 119.66 117.36 2bmj s GLN 96 Ca 0.17 -0.15 -0.28 0.00 -1.95 0.00 0.00 55.36 53.15 2bmj s GLN 96 Cb -0.14 -0.35 0.02 0.00 -0.22 0.00 0.00 33.01 32.33 2bmj s GLN 96 CO 0.05 0.09 1.31 0.08 -0.25 0.00 0.00 175.29 176.57 2bmj s VAL 97 N -0.07 3.92 -0.01 1.09 1.01 -1.26 -4.57 120.40 120.51 2bmj s VAL 97 Ca 0.01 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.87 2bmj s VAL 97 Cb -0.02 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 2bmj s VAL 97 CO -0.00 -1.17 -0.13 -0.76 0.00 0.00 0.00 175.10 173.04 2bmj s LEU 98 N 5.44 2.04 -0.26 3.92 1.43 -1.26 -5.08 118.68 124.90 2bmj s LEU 98 Ca 0.50 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2bmj s LEU 98 Cb -0.10 -0.67 0.08 0.00 0.03 0.00 0.00 46.19 45.53 2bmj s LEU 98 CO 0.27 0.15 0.01 -1.61 0.23 0.00 0.00 176.35 175.39 2bmj s GLU 99 N -0.37 1.30 -0.12 1.70 0.41 -1.26 -4.31 118.70 116.05 2bmj s GLU 99 Ca 0.05 -1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 53.22 2bmj s GLU 99 Cb -0.05 -2.51 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 2bmj s GLU 99 CO -0.00 -0.74 1.76 0.15 -0.49 0.00 0.00 175.26 175.94 2bmj s LYS 100 N 1.41 3.91 0.48 1.61 -0.14 -1.26 -4.85 119.74 120.90 2bmj s LYS 100 Ca 0.01 2.06 0.25 0.00 -1.36 0.00 0.00 55.97 56.93 2bmj s LYS 100 Cb -0.18 -4.08 1.21 0.00 -1.68 0.00 0.00 37.83 33.10 2bmj s LYS 100 CO -0.11 -1.18 1.97 1.79 -0.76 0.00 0.00 175.35 177.06 2bmj h THR 101 N 5.98 0.62 -2.58 2.17 1.35 -1.98 -3.47 112.91 114.99 2bmj h THR 101 Ca -0.39 -0.81 -0.54 0.00 -0.55 0.00 0.00 66.41 64.13 2bmj h THR 101 Cb 1.19 1.52 -0.14 0.00 -1.73 0.00 0.00 68.15 68.98 2bmj h THR 101 CO 0.97 0.18 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.05 2bmj s GLU 102 N -4.00 1.50 0.44 4.72 2.02 -1.26 -4.80 118.70 117.33 2bmj s GLU 102 Ca -0.02 -1.67 -0.25 0.00 0.02 0.00 0.00 54.97 53.06 2bmj s GLU 102 Cb 0.12 -1.46 -0.08 0.00 0.10 0.00 0.00 34.13 32.81 2bmj s GLU 102 CO 0.61 0.26 1.31 -1.12 0.02 0.00 0.00 175.26 176.34 2bmj s SER 103 N -3.36 6.05 0.07 -0.19 0.01 -1.26 -4.56 113.70 110.45 2bmj s SER 103 Ca 0.26 2.65 -0.11 0.00 1.31 0.00 0.00 55.95 60.06 2bmj s SER 103 Cb -0.03 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2bmj s SER 103 CO 0.11 -1.03 0.25 -0.70 0.41 0.00 0.00 173.24 172.28 2bmj s GLU 104 N -2.46 0.83 0.04 12.44 2.12 -0.46 -4.96 118.70 126.25 2bmj s GLU 104 Ca 0.61 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 55.27 2bmj s GLU 104 Cb -0.38 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 2bmj s GLU 104 CO 0.47 -0.27 -0.13 -1.14 -0.54 0.00 0.00 175.26 173.65 2bmj s GLN 105 N -3.21 2.22 0.15 4.30 0.74 -1.26 -0.71 119.66 121.88 2bmj s GLN 105 Ca -0.00 -0.91 -0.00 0.00 0.05 0.00 0.00 55.36 54.49 2bmj s GLN 105 Cb 0.02 -2.30 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 2bmj s GLN 105 CO -0.07 0.55 0.05 0.71 -0.55 0.00 0.00 175.29 175.98 2bmj s TYR 106 N -1.00 1.00 0.00 1.67 2.02 0.55 -4.99 117.35 116.60 2bmj s TYR 106 Ca 0.16 -1.19 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 2bmj s TYR 106 Cb -0.11 -0.56 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 2bmj s TYR 106 CO 0.07 -0.45 -0.03 -1.59 -1.57 0.00 0.00 175.55 171.99 2bmj s LYS 107 N -4.03 0.23 -0.04 -0.62 -2.85 -1.26 -0.95 119.74 110.23 2bmj s LYS 107 Ca 0.26 -0.14 -0.15 0.00 -1.00 0.00 0.00 55.97 54.94 2bmj s LYS 107 Cb 0.07 -0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.67 2bmj s LYS 107 CO 0.04 0.05 0.33 0.21 0.10 0.00 0.00 175.35 176.07 2bmj s LYS 108 N -0.19 0.63 0.06 1.78 2.20 0.41 -4.97 119.74 119.66 2bmj s LYS 108 Ca -0.00 -0.06 -0.20 0.00 -0.36 0.00 0.00 55.97 55.35 2bmj s LYS 108 Cb -0.02 0.28 -0.06 0.00 -1.51 0.00 0.00 37.83 36.52 2bmj s LYS 108 CO -0.00 -0.16 0.59 -1.21 -0.36 0.00 0.00 175.35 174.21 2bmj s GLU 109 N -1.05 4.26 -0.01 4.03 2.02 -1.26 0.74 118.70 127.42 2bmj s GLU 109 Ca -0.11 0.77 0.01 0.00 0.02 0.00 0.00 54.97 55.66 2bmj s GLU 109 Cb -0.05 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.92 2bmj s GLU 109 CO 0.04 0.57 -0.03 -1.64 0.02 0.00 0.00 175.26 174.22 2bmj s MET 110 N -0.89 0.25 -0.18 1.61 -1.94 -0.33 -4.95 119.30 112.86 2bmj s MET 110 Ca 0.30 -0.09 -0.22 0.00 -1.71 0.00 0.00 55.69 53.97 2bmj s MET 110 Cb -0.19 -0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.36 2bmj s MET 110 CO 0.19 0.04 0.68 -1.17 -0.01 0.00 0.00 175.02 174.75 2bmj s LEU 111 N 0.05 4.16 -0.03 -0.03 2.96 -1.26 -0.35 118.68 124.18 2bmj s LEU 111 Ca -0.00 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 54.84 2bmj s LEU 111 Cb -0.03 -2.98 0.03 0.00 0.50 0.00 0.00 46.19 43.72 2bmj s LEU 111 CO -0.00 -0.29 0.03 -0.69 -1.32 0.00 0.00 176.35 174.08 2bmj s VAL 112 N 1.87 0.02 -1.49 1.68 1.01 0.63 -4.81 120.40 119.31 2bmj s VAL 112 Ca 0.31 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 2bmj s VAL 112 Cb -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2bmj s VAL 112 CO 0.11 0.14 0.20 0.47 0.00 0.00 0.00 175.10 176.02 2bmj n ASP 113 N 4.49 0.31 -0.85 3.32 9.92 -1.26 -1.42 116.55 131.06 2bmj n ASP 113 Ca -0.20 -1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 52.79 2bmj n ASP 113 Cb 0.50 -2.27 -0.05 0.00 -0.64 0.00 0.00 41.12 38.67 2bmj n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bmj n GLY 114 N -2.29 1.19 2.96 0.44 0.00 -1.26 -4.98 105.19 101.26 2bmj n GLY 114 Ca -0.31 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 2bmj n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bmj s GLN 115 N -2.81 1.08 -0.09 1.61 -1.52 -0.51 -5.11 119.66 112.32 2bmj s GLN 115 Ca 0.00 -0.25 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 2bmj s GLN 115 Cb 0.00 -0.99 -0.02 0.00 -0.22 0.00 0.00 33.01 31.78 2bmj s GLN 115 CO 0.00 0.01 1.06 0.99 -0.25 0.00 0.00 175.29 177.10 2bmj s THR 116 N 0.60 4.65 0.01 -0.19 2.01 -1.26 -0.26 115.64 121.19 2bmj s THR 116 Ca -0.10 1.93 0.05 0.00 0.31 0.00 0.00 61.69 63.88 2bmj s THR 116 Cb -0.13 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 2bmj s THR 116 CO 0.01 0.01 -0.12 -1.00 -0.69 0.00 0.00 174.62 172.83 2bmj s HIS 117 N 2.03 2.75 -0.16 4.92 3.76 0.53 -4.39 115.29 124.73 2bmj s HIS 117 Ca 0.50 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 2bmj s HIS 117 Cb -0.20 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 2bmj s HIS 117 CO 0.19 0.31 1.11 -1.17 -0.85 0.00 0.00 174.74 174.33 2bmj s LEU 118 N -1.33 4.18 -0.23 0.89 2.96 0.37 -1.19 118.68 124.33 2bmj s LEU 118 Ca 0.15 1.56 -0.05 0.00 -0.22 0.00 0.00 54.13 55.57 2bmj s LEU 118 Cb -0.11 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 2bmj s LEU 118 CO 0.06 -0.62 0.00 -0.69 -1.32 0.00 0.00 176.35 173.77 2bmj s VAL 119 N 2.83 3.72 -0.15 1.68 1.01 0.23 -0.39 120.40 129.32 2bmj s VAL 119 Ca 0.49 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2bmj s VAL 119 Cb -0.19 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2bmj s VAL 119 CO 0.13 0.38 0.10 -0.76 0.00 0.00 0.00 175.10 174.96 2bmj s LEU 120 N 1.53 4.12 -0.16 3.92 1.43 0.13 -0.45 118.68 129.19 2bmj s LEU 120 Ca 0.06 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2bmj s LEU 120 Cb -0.15 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.08 2bmj s LEU 120 CO -0.01 0.28 -0.11 -0.63 0.23 0.00 0.00 176.35 176.12 2bmj s ILE 121 N -0.27 1.45 -0.27 -0.59 1.01 -0.13 -0.15 121.20 122.24 2bmj s ILE 121 Ca 0.10 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 2bmj s ILE 121 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2bmj s ILE 121 CO 0.01 0.31 0.13 -0.13 0.00 0.00 0.00 174.94 175.25 2bmj s ARG 122 N 1.51 3.67 -0.18 2.79 0.52 -0.51 -0.33 118.95 126.42 2bmj s ARG 122 Ca 0.02 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.56 2bmj s ARG 122 Cb -0.14 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.80 2bmj s ARG 122 CO -0.09 -0.24 0.50 -2.00 0.02 0.00 0.00 175.30 173.48 2bmj s GLU 123 N 1.66 4.22 -0.15 3.54 2.12 0.11 -0.65 118.70 129.55 2bmj s GLU 123 Ca 0.06 0.40 -0.03 0.00 0.36 0.00 0.00 54.97 55.77 2bmj s GLU 123 Cb -0.16 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 2bmj s GLU 123 CO 0.07 -0.07 -0.07 -2.00 -0.54 0.00 0.00 175.26 172.65 2bmj s GLU 124 N 1.39 3.57 0.47 4.30 2.56 -0.75 -1.36 118.70 128.87 2bmj s GLU 124 Ca 0.24 -0.58 0.27 0.00 0.00 0.00 0.00 54.97 54.90 2bmj s GLU 124 Cb -0.15 -2.83 0.78 0.00 2.00 0.00 0.00 34.13 33.93 2bmj s GLU 124 CO 0.10 0.22 1.77 0.00 -0.56 0.00 0.00 175.26 176.78 2bmj h ALA 125 N 6.75 0.98 -3.00 6.30 0.00 -1.87 -3.41 119.26 125.01 2bmj h ALA 125 Ca -0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bmj h ALA 125 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bmj h ALA 125 CO 0.60 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2bmj n GLY 126 N 0.59 5.50 3.77 0.00 0.00 -1.26 -4.84 105.19 108.95 2bmj n GLY 126 Ca 0.02 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 2bmj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bmj s ALA 127 N -2.00 3.35 0.58 4.61 0.00 -1.26 -4.80 121.76 122.24 2bmj s ALA 127 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 2bmj s ALA 127 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2bmj s ALA 127 CO 0.00 -0.48 1.13 -1.25 0.00 0.00 0.00 175.76 175.16 2bmj s PRO 128 N -1.88 3.18 0.41 0.00 0.04 -1.26 -5.06 135.00 130.44 2bmj s PRO 128 Ca 0.51 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2bmj s PRO 128 Cb -0.34 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2bmj s PRO 128 CO 0.45 -0.98 0.32 -0.40 0.04 0.00 0.00 177.00 176.43 2bmj n ASP 129 N -1.62 2.30 0.10 6.66 5.68 -1.26 -4.81 116.55 123.60 2bmj n ASP 129 Ca 0.11 -2.42 -0.01 0.00 -0.50 0.00 0.00 54.79 51.97 2bmj n ASP 129 Cb 0.51 -0.04 0.25 0.00 -1.14 0.00 0.00 41.12 40.70 2bmj n ASP 129 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bmj h ALA 130 N 0.68 1.17 0.54 2.12 0.00 -1.96 0.46 119.26 122.26 2bmj h ALA 130 Ca -0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2bmj h ALA 130 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2bmj h ALA 130 CO 0.41 0.55 -0.38 -0.22 0.00 0.00 0.00 179.25 179.61 2bmj h LYS 131 N 0.21 -0.86 -0.57 0.00 3.64 -1.96 -0.49 116.57 116.54 2bmj h LYS 131 Ca 0.02 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2bmj h LYS 131 Cb 0.75 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 2bmj h LYS 131 CO 0.06 -0.57 0.31 0.35 -2.27 0.00 0.00 179.45 177.32 2bmj h PHE 132 N -0.89 0.80 -0.22 1.91 3.57 -1.92 -1.59 116.94 118.60 2bmj h PHE 132 Ca -0.06 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.33 2bmj h PHE 132 Cb 0.74 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2bmj h PHE 132 CO -0.14 0.59 -0.23 0.77 -2.23 0.00 0.00 178.31 177.07 2bmj h SER 133 N 0.77 0.39 1.27 0.41 0.02 -0.79 -2.66 113.55 112.96 2bmj h SER 133 Ca 0.20 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2bmj h SER 133 Cb 0.06 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2bmj h SER 133 CO -0.03 0.63 -0.77 1.23 -1.14 0.00 0.00 176.83 176.75 2bmj h GLY 134 N 0.99 0.00 0.78 -3.77 0.00 -0.94 -3.37 103.07 96.76 2bmj h GLY 134 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 2bmj h GLY 134 CO 0.04 0.00 -0.51 -0.25 0.00 0.00 0.00 176.54 175.82 2bmj h TRP 135 N 0.00 0.60 -3.96 5.60 7.01 -1.01 -3.47 115.95 120.71 2bmj h TRP 135 Ca -0.05 -0.29 -0.54 0.00 2.11 0.00 0.00 58.89 60.12 2bmj h TRP 135 Cb 1.31 -0.08 0.11 0.00 -2.10 0.00 0.00 29.16 28.40 2bmj h TRP 135 CO 0.00 1.09 0.74 0.00 -2.79 0.00 0.00 178.44 177.47 2bmj s ALA 136 N -3.42 3.41 -0.22 2.65 0.00 -1.03 -4.86 121.76 118.28 2bmj s ALA 136 Ca -0.13 1.51 0.21 0.00 0.00 0.00 0.00 51.96 53.54 2bmj s ALA 136 Cb 0.04 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2bmj s ALA 136 CO 0.81 -1.10 1.07 -0.44 0.00 0.00 0.00 175.76 176.10 2bmj h ASP 137 N 2.69 0.00 -5.00 0.00 3.32 -1.15 -3.49 116.42 112.80 2bmj h ASP 137 Ca -0.51 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 2bmj h ASP 137 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 2bmj h ASP 137 CO 0.63 0.18 0.05 0.00 -1.72 0.00 0.00 179.24 178.38 2bmj s ALA 138 N -3.21 -1.47 -0.05 3.45 0.00 -0.87 -2.46 121.76 117.14 2bmj s ALA 138 Ca -0.00 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.98 2bmj s ALA 138 Cb 0.09 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2bmj s ALA 138 CO 0.78 -0.34 -0.04 0.08 0.00 0.00 0.00 175.76 176.24 2bmj s VAL 139 N -1.26 0.54 -0.24 0.00 1.01 -0.44 -0.04 120.40 119.97 2bmj s VAL 139 Ca -0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2bmj s VAL 139 Cb -0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 2bmj s VAL 139 CO 0.08 0.23 0.18 -0.63 0.00 0.00 0.00 175.10 174.97 2bmj s ILE 140 N 1.01 5.34 -0.19 2.22 1.01 0.37 -2.18 121.20 128.78 2bmj s ILE 140 Ca -0.10 0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 2bmj s ILE 140 Cb -0.14 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2bmj s ILE 140 CO -0.00 0.33 0.22 -0.36 0.00 0.00 0.00 174.94 175.12 2bmj s PHE 141 N 1.17 3.41 -0.07 3.97 0.40 0.31 -0.59 117.98 126.59 2bmj s PHE 141 Ca 0.08 0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.90 2bmj s PHE 141 Cb -0.14 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.11 2bmj s PHE 141 CO 0.06 0.21 -0.23 0.08 0.70 0.00 0.00 175.22 176.04 2bmj s VAL 142 N 0.57 1.91 0.13 -0.44 1.01 -0.03 0.27 120.40 123.83 2bmj s VAL 142 Ca 0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2bmj s VAL 142 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2bmj s VAL 142 CO 0.02 0.53 0.05 0.72 0.00 0.00 0.00 175.10 176.42 2bmj s PHE 143 N 0.10 0.88 -0.13 5.22 -0.12 -0.26 -4.27 117.98 119.40 2bmj s PHE 143 Ca -0.10 -1.20 -0.14 0.00 -0.05 0.00 0.00 56.93 55.43 2bmj s PHE 143 Cb -0.15 -0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 2bmj s PHE 143 CO 0.05 -0.48 0.33 0.45 -0.05 0.00 0.00 175.22 175.52 2bmj s SER 144 N -3.05 6.52 0.62 1.98 0.15 -1.22 -0.13 113.70 118.56 2bmj s SER 144 Ca 0.23 0.61 0.40 0.00 0.70 0.00 0.00 55.95 57.89 2bmj s SER 144 Cb 0.07 -2.20 2.01 0.00 -1.71 0.00 0.00 66.02 64.19 2bmj s SER 144 CO 0.01 0.13 2.23 -0.07 1.20 0.00 0.00 173.24 176.74 2bmj h LEU 145 N 6.31 0.00 -2.69 3.45 3.38 -1.63 -1.72 115.31 122.41 2bmj h LEU 145 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2bmj h LEU 145 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2bmj h LEU 145 CO 0.73 0.01 0.00 -1.84 0.09 0.00 0.00 178.44 177.43 2bmj n GLU 146 N -3.15 2.70 -3.78 1.13 -0.00 -1.26 -0.13 120.64 116.15 2bmj n GLU 146 Ca -0.02 -2.60 -0.28 0.00 -0.00 0.00 0.00 57.16 54.27 2bmj n GLU 146 Cb 0.16 -1.56 -0.16 0.00 -0.00 0.00 0.00 31.44 29.88 2bmj n GLU 146 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2bmj s ASP 147 N -1.07 3.00 0.12 -1.84 -1.08 -0.65 -4.70 116.67 110.45 2bmj s ASP 147 Ca 0.47 -0.84 -0.15 0.00 -0.52 0.00 0.00 52.55 51.51 2bmj s ASP 147 Cb 0.25 -0.71 -0.03 0.00 -1.46 0.00 0.00 42.92 40.97 2bmj s ASP 147 CO 0.33 -0.28 1.57 -0.08 0.52 0.00 0.00 175.17 177.22 2bmj h GLU 148 N 8.19 0.67 -0.69 4.34 4.57 -1.90 -2.65 114.58 127.12 2bmj h GLU 148 Ca -0.17 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 57.84 2bmj h GLU 148 Cb 1.11 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 2bmj h GLU 148 CO 0.35 0.77 0.46 -0.91 -1.18 0.00 0.00 179.01 178.49 2bmj h ASN 149 N 0.50 0.68 0.00 1.04 2.35 -1.95 -1.16 115.58 117.04 2bmj h ASN 149 Ca 0.11 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2bmj h ASN 149 Cb 0.46 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2bmj h ASN 149 CO 0.02 0.46 -0.24 0.77 -1.65 0.00 0.00 177.43 176.79 2bmj h SER 150 N 0.79 0.39 -0.11 5.81 4.64 -1.80 0.75 113.55 124.01 2bmj h SER 150 Ca 0.28 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 2bmj h SER 150 Cb 0.14 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2bmj h SER 150 CO -0.08 0.63 -0.21 0.15 -0.87 0.00 0.00 176.83 176.44 2bmj h PHE 151 N 0.35 0.43 -0.24 4.77 3.57 -1.16 -2.85 116.94 121.81 2bmj h PHE 151 Ca 0.06 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2bmj h PHE 151 Cb 0.61 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2bmj h PHE 151 CO 0.02 0.82 0.16 1.96 -2.23 0.00 0.00 178.31 179.04 2bmj h GLN 152 N -0.08 0.27 -0.24 1.11 1.08 -1.09 -2.20 115.11 113.97 2bmj h GLN 152 Ca 0.01 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2bmj h GLN 152 Cb 0.80 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2bmj h GLN 152 CO 0.05 0.18 -0.10 0.00 -0.95 0.00 0.00 178.83 178.01 2bmj h ALA 153 N 1.86 1.39 -0.55 3.87 0.00 -0.63 -2.80 119.26 122.40 2bmj h ALA 153 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bmj h ALA 153 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2bmj h ALA 153 CO -0.02 0.42 0.34 0.28 0.00 0.00 0.00 179.25 180.27 2bmj h VAL 154 N 0.36 1.15 -0.16 0.00 2.07 -1.17 0.06 116.25 118.57 2bmj h VAL 154 Ca 0.07 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 2bmj h VAL 154 Cb 0.40 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2bmj h VAL 154 CO 0.02 0.15 -0.55 0.77 0.02 0.00 0.00 177.57 177.99 2bmj h SER 155 N 0.74 0.52 -0.06 0.57 4.64 -1.56 -0.21 113.55 118.18 2bmj h SER 155 Ca 0.20 -0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2bmj h SER 155 Cb -0.05 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 2bmj h SER 155 CO -0.04 0.96 -0.15 -0.09 -0.87 0.00 0.00 176.83 176.64 2bmj h ARG 156 N 0.36 -0.21 -0.51 4.77 2.43 -1.29 -2.04 114.38 117.89 2bmj h ARG 156 Ca 0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2bmj h ARG 156 Cb 1.07 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2bmj h ARG 156 CO 0.10 -0.14 0.18 -0.07 -1.51 0.00 0.00 179.97 178.53 2bmj h LEU 157 N -0.22 0.67 -0.24 3.80 3.38 -0.57 -2.37 115.31 119.76 2bmj h LEU 157 Ca 0.07 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2bmj h LEU 157 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2bmj h LEU 157 CO -0.19 0.62 -0.46 -0.74 0.09 0.00 0.00 178.44 177.76 2bmj h HIS 158 N 0.72 0.92 -0.61 1.13 2.76 -0.97 -1.14 115.15 117.97 2bmj h HIS 158 Ca 0.17 -0.33 0.12 0.00 -2.20 0.00 0.00 60.37 58.14 2bmj h HIS 158 Cb 0.17 -0.17 -0.10 0.00 1.55 0.00 0.00 27.41 28.86 2bmj h HIS 158 CO 0.01 1.12 0.02 0.78 -1.30 0.00 0.00 177.93 178.55 2bmj h GLY 159 N 0.46 0.66 0.85 5.26 0.00 -1.06 0.28 103.07 109.51 2bmj h GLY 159 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2bmj h GLY 159 CO 0.10 -0.19 -0.13 1.46 0.00 0.00 0.00 176.54 177.78 2bmj h GLN 160 N 0.13 -0.36 -0.46 4.80 4.20 -1.29 -2.04 115.11 120.09 2bmj h GLN 160 Ca 0.32 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.14 2bmj h GLN 160 Cb 0.51 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.30 2bmj h GLN 160 CO -0.51 -0.14 0.02 1.25 -0.67 0.00 0.00 178.83 178.78 2bmj h LEU 161 N -0.53 -0.16 -0.24 1.46 5.85 -1.09 -1.31 115.31 119.29 2bmj h LEU 161 Ca -0.04 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2bmj h LEU 161 Cb 0.39 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2bmj h LEU 161 CO 0.06 -0.04 0.11 -1.28 -0.34 0.00 0.00 178.44 176.95 2bmj h SER 162 N 0.13 0.32 0.36 1.25 0.87 -0.89 -1.62 113.55 113.97 2bmj h SER 162 Ca 0.23 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2bmj h SER 162 Cb 0.33 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2bmj h SER 162 CO -0.37 0.37 -0.49 0.28 -0.53 0.00 0.00 176.83 176.09 2bmj h SER 163 N 0.26 0.17 0.82 6.23 0.02 -1.12 -3.26 113.55 116.67 2bmj h SER 163 Ca 0.08 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bmj h SER 163 Cb 0.13 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2bmj h SER 163 CO -0.01 0.64 -0.91 0.18 -1.14 0.00 0.00 176.83 175.59 2bmj n LEU 164 N -3.96 0.73 -4.73 5.07 4.77 -0.52 -4.69 117.00 113.67 2bmj n LEU 164 Ca -0.02 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 2bmj n LEU 164 Cb 0.53 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2bmj n LEU 164 CO 0.42 -0.09 0.84 -0.60 -1.33 0.00 0.00 177.39 176.62 2bmj s ARG 165 N -3.27 4.53 -0.00 3.23 3.52 -0.62 -4.57 118.95 121.77 2bmj s ARG 165 Ca 0.02 1.78 0.07 0.00 -0.13 0.00 0.00 55.73 57.47 2bmj s ARG 165 Cb 0.12 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 30.15 2bmj s ARG 165 CO 0.77 -0.04 0.28 0.41 -0.81 0.00 0.00 175.30 175.91 2bmj n GLY 166 N 2.31 0.25 0.00 8.12 0.00 -1.26 -4.93 105.19 109.68 2bmj n GLY 166 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2bmj n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bmj n ARG 169 N -1.25 -2.04 0.33 1.61 1.74 -1.26 -5.20 116.66 110.59 2bmj n ARG 169 Ca 0.01 0.00 0.22 0.00 -0.77 0.00 0.00 57.85 57.31 2bmj n ARG 169 Cb 0.12 0.00 1.16 0.00 -1.02 0.00 0.00 32.46 32.72 2bmj n ARG 169 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2bmj h GLY 170 N 0.00 0.00 0.00 -0.13 0.00 -2.00 -3.47 103.07 97.46 2bmj h GLY 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bmj h GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2bmj n GLY 171 N -1.02 3.15 3.81 4.60 0.00 -1.26 -5.09 105.19 109.38 2bmj n GLY 171 Ca -0.03 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 2bmj n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bmj s LEU 172 N 0.00 4.50 0.14 0.99 1.43 -1.26 -4.98 118.68 119.49 2bmj s LEU 172 Ca 0.00 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.10 2bmj s LEU 172 Cb 0.00 -3.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 2bmj s LEU 172 CO 0.00 0.22 1.10 0.00 0.23 0.00 0.00 176.35 177.90 2bmj s ALA 173 N -1.20 3.35 0.13 4.21 0.00 -1.03 -4.77 121.76 122.46 2bmj s ALA 173 Ca 0.32 0.78 0.10 0.00 0.00 0.00 0.00 51.96 53.16 2bmj s ALA 173 Cb -0.19 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2bmj s ALA 173 CO 0.20 -0.24 -0.24 -0.51 0.00 0.00 0.00 175.76 174.97 2bmj s LEU 174 N 0.05 2.34 0.04 0.00 1.43 -0.68 -1.33 118.68 120.54 2bmj s LEU 174 Ca 0.51 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2bmj s LEU 174 Cb -0.28 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2bmj s LEU 174 CO 0.33 0.11 -0.06 0.00 0.23 0.00 0.00 176.35 176.95 2bmj s ALA 175 N -1.30 0.48 -0.13 4.21 0.00 -0.93 -2.80 121.76 121.29 2bmj s ALA 175 Ca 0.13 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2bmj s ALA 175 Cb -0.09 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2bmj s ALA 175 CO 0.06 -0.07 -0.20 -1.17 0.00 0.00 0.00 175.76 174.38 2bmj s LEU 176 N -1.65 2.01 -0.14 0.00 2.96 -0.46 -0.53 118.68 120.86 2bmj s LEU 176 Ca -0.10 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 2bmj s LEU 176 Cb -0.09 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.27 2bmj s LEU 176 CO -0.00 0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.21 2bmj s VAL 177 N 0.85 1.86 -0.32 1.68 1.01 0.14 -1.28 120.40 124.34 2bmj s VAL 177 Ca -0.07 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 2bmj s VAL 177 Cb -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2bmj s VAL 177 CO -0.02 0.51 0.14 -0.83 0.00 0.00 0.00 175.10 174.91 2bmj s GLY 178 N 1.07 1.86 0.12 4.51 0.00 -0.27 -1.10 107.32 113.51 2bmj s GLY 178 Ca -0.02 -1.46 -0.23 0.00 0.00 0.00 0.00 44.72 43.01 2bmj s GLY 178 CO -0.06 0.71 0.71 -0.51 0.00 0.00 0.00 173.10 173.95 2bmj s THR 179 N 1.58 4.53 -1.71 0.90 -4.23 0.81 -1.81 115.64 115.71 2bmj s THR 179 Ca 0.04 1.54 0.24 0.00 -1.18 0.00 0.00 61.69 62.33 2bmj s THR 179 Cb -0.17 -4.06 0.06 0.00 1.34 0.00 0.00 72.50 69.67 2bmj s THR 179 CO 0.05 0.51 1.27 0.00 -0.54 0.00 0.00 174.62 175.91 2bmj n GLN 180 N 1.81 0.81 -0.35 3.99 6.02 0.40 -1.70 117.38 128.36 2bmj n GLN 180 Ca -0.07 -0.60 0.08 0.00 -0.01 0.00 0.00 57.00 56.40 2bmj n GLN 180 Cb 0.49 -1.49 0.25 0.00 1.02 0.00 0.00 30.24 30.51 2bmj n GLN 180 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2bmj h ASP 181 N 1.46 0.87 -0.20 1.08 3.32 -1.94 -2.28 116.42 118.74 2bmj h ASP 181 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2bmj h ASP 181 Cb 0.61 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2bmj h ASP 181 CO 0.00 0.44 0.00 0.54 -1.72 0.00 0.00 179.24 178.50 2bmj n ARG 182 N -4.66 2.22 -1.75 3.56 1.74 -1.26 -4.94 116.66 111.57 2bmj n ARG 182 Ca 0.19 -1.82 -0.42 0.00 -0.77 0.00 0.00 57.85 55.03 2bmj n ARG 182 Cb 0.39 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2bmj n ARG 182 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bmj s ILE 183 N -1.76 2.70 0.28 0.55 1.01 -0.86 -4.79 121.20 118.33 2bmj s ILE 183 Ca 0.34 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.16 2bmj s ILE 183 Cb 0.21 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2bmj s ILE 183 CO 0.30 -0.00 0.23 -0.94 0.00 0.00 0.00 174.94 174.53 2bmj s SER 184 N 2.89 1.05 0.18 3.58 1.04 -0.53 -4.99 113.70 116.91 2bmj s SER 184 Ca 0.80 -1.60 -0.12 0.00 0.48 0.00 0.00 55.95 55.51 2bmj s SER 184 Cb -0.44 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.26 2bmj s SER 184 CO 0.36 -0.99 1.80 0.00 0.98 0.00 0.00 173.24 175.39 2bmj h ALA 185 N 2.32 0.78 0.00 5.32 0.00 -1.99 -2.55 119.26 123.15 2bmj h ALA 185 Ca -0.29 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2bmj h ALA 185 Cb 1.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2bmj h ALA 185 CO 0.43 0.29 -0.54 0.66 0.00 0.00 0.00 179.25 180.09 2bmj h SER 186 N 0.83 0.00 -2.81 0.00 4.64 -1.97 -3.34 113.55 110.90 2bmj h SER 186 Ca 0.22 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.91 2bmj h SER 186 Cb 0.03 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.71 2bmj h SER 186 CO -0.04 0.52 -0.52 -0.24 -0.87 0.00 0.00 176.83 175.69 2bmj n SER 187 N -3.22 3.41 -4.79 4.97 2.88 -1.11 -5.11 113.62 110.64 2bmj n SER 187 Ca 0.02 -3.29 -0.30 0.00 -1.33 0.00 0.00 58.87 53.97 2bmj n SER 187 Cb 0.75 -0.76 0.10 0.00 -0.75 0.00 0.00 64.21 63.55 2bmj n SER 187 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2bmj s PRO 188 N -1.82 1.84 0.14 -1.46 0.04 -0.98 -1.46 135.00 131.31 2bmj s PRO 188 Ca 0.30 0.59 -0.33 0.00 0.04 0.00 0.00 61.00 61.60 2bmj s PRO 188 Cb 0.02 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 2bmj s PRO 188 CO -0.11 -1.78 1.67 -2.13 0.04 0.00 0.00 177.00 174.69 2bmj n ARG 189 N -3.53 2.36 -0.00 4.56 0.63 -1.26 -4.39 116.66 115.03 2bmj n ARG 189 Ca 0.07 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 2bmj n ARG 189 Cb 0.57 -2.66 -0.00 0.00 0.45 0.00 0.00 32.46 30.81 2bmj n ARG 189 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2bmj n VAL 190 N 3.86 0.00 -3.57 5.15 0.24 0.82 -4.93 118.33 119.91 2bmj n VAL 190 Ca 0.17 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.65 2bmj n VAL 190 Cb 0.31 0.92 -0.11 0.00 -1.47 0.00 0.00 33.84 33.50 2bmj n VAL 190 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bmj s VAL 191 N -1.18 4.84 0.43 3.34 1.01 -1.01 -5.00 120.40 122.83 2bmj s VAL 191 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2bmj s VAL 191 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 2bmj s VAL 191 CO 0.01 -0.17 1.16 -0.83 0.00 0.00 0.00 175.10 175.28 2bmj s GLY 192 N 1.62 2.81 0.18 4.51 0.00 -1.26 -4.91 107.32 110.27 2bmj s GLY 192 Ca 0.04 0.94 -0.18 0.00 0.00 0.00 0.00 44.72 45.52 2bmj s GLY 192 CO 0.08 1.42 1.63 -1.80 0.00 0.00 0.00 173.10 174.43 2bmj h ASP 193 N 2.32 -0.64 -0.86 1.64 1.82 -1.99 -1.52 116.42 117.19 2bmj h ASP 193 Ca -0.49 0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.29 2bmj h ASP 193 Cb 1.24 0.36 -0.04 0.00 0.68 0.00 0.00 39.33 41.57 2bmj h ASP 193 CO 0.61 -0.22 0.47 0.00 -1.61 0.00 0.00 179.24 178.50 2bmj h ALA 194 N 1.26 1.11 -0.33 -0.78 0.00 -1.98 0.77 119.26 119.31 2bmj h ALA 194 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bmj h ALA 194 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2bmj h ALA 194 CO -0.51 0.61 0.19 -0.09 0.00 0.00 0.00 179.25 179.45 2bmj h ARG 195 N 1.20 0.45 -0.45 0.00 2.43 -1.86 0.48 114.38 116.64 2bmj h ARG 195 Ca 0.30 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2bmj h ARG 195 Cb 0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2bmj h ARG 195 CO -0.05 0.36 0.15 0.00 -1.51 0.00 0.00 179.97 178.93 2bmj h ALA 196 N 1.06 0.58 0.00 2.80 0.00 -0.74 -1.67 119.26 121.30 2bmj h ALA 196 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2bmj h ALA 196 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2bmj h ALA 196 CO -0.02 0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 2bmj h ARG 197 N 0.58 0.00 -0.30 0.00 3.08 -0.68 -1.70 114.38 115.36 2bmj h ARG 197 Ca 0.15 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 2bmj h ARG 197 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2bmj h ARG 197 CO -0.01 0.16 -0.38 0.00 -1.07 0.00 0.00 179.97 178.68 2bmj h ALA 198 N 1.84 0.76 -0.71 0.04 0.00 -0.53 0.10 119.26 120.75 2bmj h ALA 198 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2bmj h ALA 198 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2bmj h ALA 198 CO 0.02 0.66 0.17 1.25 0.00 0.00 0.00 179.25 181.35 2bmj h LEU 199 N 0.59 1.08 -0.35 0.00 5.85 -0.71 -2.75 115.31 119.02 2bmj h LEU 199 Ca 0.05 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2bmj h LEU 199 Cb 0.92 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2bmj h LEU 199 CO 0.08 1.04 -0.16 0.00 -0.34 0.00 0.00 178.44 179.06 2bmj h ALA 201 N 0.78 1.38 -0.37 0.00 0.00 -0.95 -2.16 119.26 117.95 2bmj h ALA 201 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bmj h ALA 201 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2bmj h ALA 201 CO 0.05 0.02 0.00 -3.47 0.00 0.00 0.00 179.25 175.85 2bmj n ASP 202 N -3.66 3.06 -4.36 0.00 -0.08 -1.04 -4.84 116.55 105.63 2bmj n ASP 202 Ca -0.03 -1.94 -0.32 0.00 -1.51 0.00 0.00 54.79 50.99 2bmj n ASP 202 Cb 0.10 -0.24 -0.15 0.00 2.34 0.00 0.00 41.12 43.17 2bmj n ASP 202 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2bmj s MET 203 N -1.52 2.89 0.21 -0.67 -1.94 -0.81 -5.08 119.30 112.37 2bmj s MET 203 Ca 0.38 -0.76 -0.30 0.00 -1.71 0.00 0.00 55.69 53.30 2bmj s MET 203 Cb 0.21 -2.41 -0.08 0.00 2.01 0.00 0.00 34.83 34.56 2bmj s MET 203 CO 0.30 0.37 1.05 -1.59 -0.01 0.00 0.00 175.02 175.15 2bmj s LYS 204 N -0.10 4.67 -1.38 2.03 0.00 -1.26 -3.69 119.74 120.01 2bmj s LYS 204 Ca -0.03 1.67 -0.08 0.00 0.00 0.00 0.00 55.97 57.52 2bmj s LYS 204 Cb -0.14 -3.26 0.03 0.00 0.00 0.00 0.00 37.83 34.46 2bmj s LYS 204 CO 0.04 0.22 1.05 0.54 0.00 0.00 0.00 175.35 177.20 2bmj n ARG 205 N 1.91 -6.77 -4.91 1.78 1.74 -1.26 -4.47 116.66 104.69 2bmj n ARG 205 Ca 0.01 0.74 -0.33 0.00 -0.77 0.00 0.00 57.85 57.50 2bmj n ARG 205 Cb 0.46 -5.70 -0.13 0.00 -1.02 0.00 0.00 32.46 26.07 2bmj n ARG 205 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bmj s SER 207 N -0.60 3.60 -0.12 0.00 0.01 -1.12 -4.87 113.70 110.59 2bmj s SER 207 Ca 0.09 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 56.79 2bmj s SER 207 Cb -0.11 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2bmj s SER 207 CO 0.01 0.23 -0.03 -0.47 0.41 0.00 0.00 173.24 173.40 2bmj s TYR 208 N -0.95 3.06 0.03 2.43 5.04 -1.26 -1.36 117.35 124.34 2bmj s TYR 208 Ca 0.14 -0.06 0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2bmj s TYR 208 Cb -0.10 -1.86 -0.02 0.00 0.35 0.00 0.00 41.96 40.33 2bmj s TYR 208 CO 0.05 0.20 -0.07 0.71 -1.34 0.00 0.00 175.55 175.11 2bmj s TYR 209 N -0.25 0.62 -0.05 4.97 1.51 -0.40 -4.99 117.35 118.76 2bmj s TYR 209 Ca 0.05 -0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 55.61 2bmj s TYR 209 Cb -0.13 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 2bmj s TYR 209 CO 0.02 -0.05 0.41 -1.21 -1.11 0.00 0.00 175.55 173.61 2bmj s GLU 210 N -1.03 4.06 0.18 -0.62 2.02 -1.26 -1.11 118.70 120.94 2bmj s GLU 210 Ca -0.05 0.37 0.09 0.00 0.02 0.00 0.00 54.97 55.40 2bmj s GLU 210 Cb -0.07 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2bmj s GLU 210 CO 0.00 0.50 -0.19 0.95 0.02 0.00 0.00 175.26 176.54 2bmj s THR 211 N -0.44 1.97 -0.30 3.63 -4.23 -0.75 -4.58 115.64 110.93 2bmj s THR 211 Ca 0.23 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 2bmj s THR 211 Cb -0.16 -1.94 0.11 0.00 1.34 0.00 0.00 72.50 71.85 2bmj s THR 211 CO 0.11 -0.29 0.14 0.00 -0.54 0.00 0.00 174.62 174.05 2bmj h ALA 213 N 8.12 1.00 -0.47 0.00 0.00 -1.91 0.40 119.26 126.39 2bmj h ALA 213 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2bmj h ALA 213 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2bmj h ALA 213 CO 0.41 0.00 0.27 1.79 0.00 0.00 0.00 179.25 181.72 2bmj h THR 214 N 0.00 1.16 -0.01 0.00 1.35 -1.95 -3.25 112.91 110.21 2bmj h THR 214 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2bmj h THR 214 Cb 0.26 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2bmj h THR 214 CO 0.00 0.17 -0.05 0.00 -0.25 0.00 0.00 175.52 175.39 2bmj n TYR 215 N -4.69 0.00 0.00 4.73 0.18 -1.10 -4.76 117.16 111.52 2bmj n TYR 215 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 2bmj n TYR 215 Cb 0.07 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 2bmj n TYR 215 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2bmj n GLY 216 N 0.61 0.79 3.58 -7.48 0.00 0.02 -5.02 105.19 97.69 2bmj n GLY 216 Ca 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.55 2bmj n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bmj n LEU 217 N 0.00 2.53 -0.72 0.99 7.94 -0.54 -1.81 117.00 125.38 2bmj n LEU 217 Ca 0.00 0.75 -0.08 0.00 -1.11 0.00 0.00 56.01 55.57 2bmj n LEU 217 Cb 0.00 -1.25 -0.04 0.00 0.53 0.00 0.00 43.42 42.67 2bmj n LEU 217 CO 0.00 -0.47 -0.08 0.59 -1.11 0.00 0.00 177.39 176.32 2bmj n ASN 218 N 7.73 -4.68 0.21 1.96 3.02 -1.26 -2.04 115.26 120.20 2bmj n ASN 218 Ca 0.32 0.20 -0.11 0.00 -0.03 0.00 0.00 54.58 54.97 2bmj n ASN 218 Cb 0.21 -3.47 -0.06 0.00 -0.61 0.00 0.00 39.78 35.86 2bmj n ASN 218 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2bmj h VAL 219 N 0.00 0.20 -0.93 2.41 2.07 -1.71 -1.53 116.25 116.76 2bmj h VAL 219 Ca -0.17 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2bmj h VAL 219 Cb 0.95 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2bmj h VAL 219 CO 0.25 0.04 0.61 0.44 0.02 0.00 0.00 177.57 178.93 2bmj h ASP 220 N -1.09 1.05 -0.60 0.57 3.45 -1.90 -2.76 116.42 115.14 2bmj h ASP 220 Ca -0.06 -0.02 0.12 0.00 0.43 0.00 0.00 57.03 57.50 2bmj h ASP 220 Cb 0.53 -0.25 -0.09 0.00 -0.56 0.00 0.00 39.33 38.96 2bmj h ASP 220 CO 0.10 0.74 0.08 -0.09 -1.57 0.00 0.00 179.24 178.50 2bmj h ARG 221 N 1.23 0.19 0.17 3.56 2.43 -1.90 0.18 114.38 120.25 2bmj h ARG 221 Ca 0.36 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2bmj h ARG 221 Cb -0.08 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2bmj h ARG 221 CO -0.09 0.13 -0.08 0.28 -1.51 0.00 0.00 179.97 178.69 2bmj h VAL 222 N 0.20 0.83 -0.48 0.20 2.07 -0.98 0.53 116.25 118.62 2bmj h VAL 222 Ca 0.32 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.78 2bmj h VAL 222 Cb 0.49 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2bmj h VAL 222 CO -0.45 0.00 0.16 -0.26 0.02 0.00 0.00 177.57 177.04 2bmj h PHE 223 N -0.24 0.76 -0.52 1.57 0.04 -1.37 -1.90 116.94 115.27 2bmj h PHE 223 Ca -0.02 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 2bmj h PHE 223 Cb 0.19 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2bmj h PHE 223 CO -0.06 0.66 0.08 1.96 -0.60 0.00 0.00 178.31 180.34 2bmj h GLN 224 N 0.63 0.87 -0.32 1.51 4.20 -0.56 -0.81 115.11 120.63 2bmj h GLN 224 Ca 0.15 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 2bmj h GLN 224 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2bmj h GLN 224 CO -0.01 0.86 -0.38 0.93 -0.67 0.00 0.00 178.83 179.56 2bmj h GLU 225 N 0.75 0.75 -0.39 1.46 5.08 -0.77 -0.30 114.58 121.17 2bmj h GLU 225 Ca 0.16 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2bmj h GLU 225 Cb 0.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2bmj h GLU 225 CO 0.01 1.00 0.04 0.28 -1.00 0.00 0.00 179.01 179.34 2bmj h VAL 226 N 0.61 1.25 -0.34 3.13 2.07 -1.29 -0.76 116.25 120.92 2bmj h VAL 226 Ca 0.05 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2bmj h VAL 226 Cb 0.93 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2bmj h VAL 226 CO 0.08 0.31 0.08 0.00 0.02 0.00 0.00 177.57 178.06 2bmj h ALA 227 N 0.90 0.37 -0.37 1.67 0.00 -1.03 -2.15 119.26 118.65 2bmj h ALA 227 Ca 0.11 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2bmj h ALA 227 Cb 0.41 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2bmj h ALA 227 CO 0.01 -0.32 0.14 0.37 0.00 0.00 0.00 179.25 179.45 2bmj h GLN 228 N 0.20 0.29 -0.71 0.00 5.75 -0.97 -1.88 115.11 117.81 2bmj h GLN 228 Ca 0.16 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.75 2bmj h GLN 228 Cb 0.17 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.57 2bmj h GLN 228 CO -0.20 0.20 0.31 0.87 -2.65 0.00 0.00 178.83 177.35 2bmj h LYS 229 N 0.30 0.49 -0.07 1.69 1.57 -0.90 -0.60 116.57 119.06 2bmj h LYS 229 Ca 0.17 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2bmj h LYS 229 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2bmj h LYS 229 CO -0.16 0.32 0.05 0.28 -0.57 0.00 0.00 179.45 179.37 2bmj h VAL 230 N 0.51 1.02 -0.82 0.50 2.07 -1.01 -0.89 116.25 117.63 2bmj h VAL 230 Ca 0.37 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 2bmj h VAL 230 Cb 0.47 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2bmj h VAL 230 CO -0.33 0.02 0.38 0.58 0.02 0.00 0.00 177.57 178.25 2bmj h VAL 231 N 0.10 1.26 -0.38 2.57 2.07 -0.89 -1.36 116.25 119.61 2bmj h VAL 231 Ca 0.03 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2bmj h VAL 231 Cb -0.01 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2bmj h VAL 231 CO -0.01 0.31 -0.16 0.74 0.02 0.00 0.00 177.57 178.48 2bmj h THR 232 N 1.16 1.28 -0.69 2.57 2.02 -1.03 -1.29 112.91 116.94 2bmj h THR 232 Ca 0.28 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 66.23 2bmj h THR 232 Cb 0.13 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2bmj h THR 232 CO -0.03 0.42 0.41 -0.07 0.37 0.00 0.00 175.52 176.62 2bmj h LEU 233 N 0.58 0.65 -0.58 2.58 3.38 -1.01 -0.28 115.31 120.61 2bmj h LEU 233 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2bmj h LEU 233 Cb 0.70 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2bmj h LEU 233 CO 0.05 0.43 0.21 0.03 0.09 0.00 0.00 178.44 179.26 2bmj h ARG 234 N 0.78 0.88 -0.43 1.13 3.08 -1.08 -1.43 114.38 117.31 2bmj h ARG 234 Ca 0.29 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 2bmj h ARG 234 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2bmj h ARG 234 CO -0.14 0.77 -0.11 0.87 -1.07 0.00 0.00 179.97 180.30 2bmj h LYS 235 N 0.81 0.76 -0.51 0.04 1.57 -1.00 -2.07 116.57 116.17 2bmj h LYS 235 Ca 0.19 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2bmj h LYS 235 Cb 0.23 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2bmj h LYS 235 CO -0.01 0.84 0.25 1.96 -0.57 0.00 0.00 179.45 181.91 2bmj h GLN 236 N 0.69 0.47 -0.82 3.15 4.20 -0.83 0.39 115.11 122.36 2bmj h GLN 236 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2bmj h GLN 236 Cb 0.58 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 2bmj h GLN 236 CO 0.04 0.31 0.54 1.96 -0.67 0.00 0.00 178.83 181.01 2bmj h GLN 237 N 0.48 1.07 0.00 1.46 4.20 -0.95 -0.05 115.11 121.32 2bmj h GLN 237 Ca 0.23 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2bmj h GLN 237 Cb 0.16 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2bmj h GLN 237 CO -0.17 0.71 -0.16 -0.56 -0.67 0.00 0.00 178.83 177.98 2bmj h GLN 238 N 1.11 0.00 0.00 1.46 3.07 -1.02 -1.70 115.11 118.03 2bmj h GLN 238 Ca 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.94 2bmj h GLN 238 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.44 2bmj h GLN 238 CO -0.07 0.11 -0.48 1.25 0.09 0.00 0.00 178.83 179.72 2bmj h LEU 239 N 0.00 0.00 0.00 0.06 5.85 -0.62 -3.51 115.31 117.08 2bmj h LEU 239 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bmj h LEU 239 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2bmj h LEU 239 CO 0.01 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.78