#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t5x s SER 2 N 0.00 6.40 0.14 4.31 1.04 -1.26 -5.01 113.70 119.33 1t5x s SER 2 Ca 0.00 1.06 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 1t5x s SER 2 Cb 0.00 -2.30 -0.10 0.00 0.10 0.00 0.00 66.02 63.73 1t5x s SER 2 CO 0.00 -0.49 1.57 -1.58 0.98 0.00 0.00 173.24 173.72 1t5x s GLN 3 N -4.26 4.22 0.28 4.02 0.74 -0.91 -4.94 119.66 118.81 1t5x s GLN 3 Ca 0.50 2.34 -0.30 0.00 0.05 0.00 0.00 55.36 57.95 1t5x s GLN 3 Cb -0.10 -3.24 -0.11 0.00 1.10 0.00 0.00 33.01 30.65 1t5x s GLN 3 CO 0.38 -0.62 1.53 -2.14 -0.55 0.00 0.00 175.29 173.89 1t5x s PRO 4 N 1.42 4.18 0.86 1.67 0.02 -1.26 -4.65 135.00 137.24 1t5x s PRO 4 Ca 0.70 2.47 -0.12 0.00 0.02 0.00 0.00 61.00 64.07 1t5x s PRO 4 Cb -0.43 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.13 1t5x s PRO 4 CO 0.31 -0.54 1.01 -0.25 -0.33 0.00 0.00 177.00 177.20 1t5x n ASP 5 N 2.14 0.17 -4.84 2.53 10.43 -1.26 -4.97 116.55 120.75 1t5x n ASP 5 Ca 0.07 0.50 -0.32 0.00 2.57 0.00 0.00 54.79 57.61 1t5x n ASP 5 Cb 0.39 -1.43 -0.05 0.00 1.84 0.00 0.00 41.12 41.87 1t5x n ASP 5 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1t5x s PRO 6 N -4.08 4.01 0.17 -0.24 0.04 -1.26 -5.08 135.00 128.55 1t5x s PRO 6 Ca 0.68 0.85 0.05 0.00 0.04 0.00 0.00 61.00 62.62 1t5x s PRO 6 Cb -0.27 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1t5x s PRO 6 CO 0.56 -0.07 0.14 -1.64 0.04 0.00 0.00 177.00 176.03 1t5x s MET 7 N -3.56 2.91 0.42 4.56 -1.94 -1.26 -4.97 119.30 115.46 1t5x s MET 7 Ca 0.57 -0.87 0.25 0.00 -1.71 0.00 0.00 55.69 53.92 1t5x s MET 7 Cb -0.10 -2.64 1.28 0.00 2.01 0.00 0.00 34.83 35.38 1t5x s MET 7 CO 0.23 0.48 1.68 -1.35 -0.01 0.00 0.00 175.02 176.05 1t5x h PRO 8 N 2.37 0.20 0.00 2.03 0.11 -1.98 0.97 132.00 135.71 1t5x h PRO 8 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1t5x h PRO 8 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t5x h PRO 8 CO 0.63 0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 178.31 1t5x n ASP 9 N -4.71 0.37 -0.12 -2.05 9.92 -1.26 -2.42 116.55 116.28 1t5x n ASP 9 Ca 0.33 0.56 0.13 0.00 -0.53 0.00 0.00 54.79 55.27 1t5x n ASP 9 Cb 1.20 -0.65 0.33 0.00 -0.64 0.00 0.00 41.12 41.35 1t5x n ASP 9 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1t5x n ASP 10 N -1.88 0.73 -4.69 -2.24 10.43 0.33 -4.93 116.55 114.31 1t5x n ASP 10 Ca 0.04 -0.55 -0.33 0.00 2.57 0.00 0.00 54.79 56.53 1t5x n ASP 10 Cb 0.28 0.17 -0.09 0.00 1.84 0.00 0.00 41.12 43.32 1t5x n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1t5x s LEU 11 N -2.75 3.54 0.32 0.64 1.43 -1.02 -4.90 118.68 115.94 1t5x s LEU 11 Ca 0.18 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 1t5x s LEU 11 Cb 0.18 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 1t5x s LEU 11 CO 0.60 0.29 1.23 -1.00 0.23 0.00 0.00 176.35 177.70 1t5x s HIS 12 N -1.07 3.22 -0.15 0.29 3.76 -1.26 -5.02 115.29 115.06 1t5x s HIS 12 Ca 0.19 1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 56.59 1t5x s HIS 12 Cb -0.12 -3.53 -0.02 0.00 1.11 0.00 0.00 32.58 30.02 1t5x s HIS 12 CO 0.10 -1.39 -0.06 0.15 -0.85 0.00 0.00 174.74 172.68 1t5x s LYS 13 N -1.71 3.58 0.51 1.40 3.01 -1.26 -4.45 119.74 120.82 1t5x s LYS 13 Ca 0.48 -0.57 0.25 0.00 -1.01 0.00 0.00 55.97 55.11 1t5x s LYS 13 Cb -0.37 -2.84 1.40 0.00 -1.01 0.00 0.00 37.83 35.01 1t5x s LYS 13 CO 0.48 0.21 2.08 0.66 0.51 0.00 0.00 175.35 179.29 1t5x h SER 14 N 6.78 0.00 0.58 2.83 4.64 -1.18 -0.42 113.55 126.79 1t5x h SER 14 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1t5x h SER 14 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1t5x h SER 14 CO 0.61 0.12 0.00 0.77 -0.87 0.00 0.00 176.83 177.45 1t5x h SER 15 N 0.00 0.00 -0.41 4.97 4.64 -1.88 -1.02 113.55 119.85 1t5x h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t5x h SER 15 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1t5x h SER 15 CO 0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1t5x n GLU 16 N -2.51 2.47 -4.36 4.77 1.02 -0.17 -4.84 120.64 117.02 1t5x n GLU 16 Ca 0.01 -2.23 -0.34 0.00 -0.02 0.00 0.00 57.16 54.58 1t5x n GLU 16 Cb 0.19 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 1t5x n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1t5x s PHE 17 N -1.47 2.92 -0.55 -0.32 5.36 -0.39 -1.76 117.98 121.77 1t5x s PHE 17 Ca 0.39 -0.65 0.06 0.00 -0.96 0.00 0.00 56.93 55.78 1t5x s PHE 17 Cb 0.23 -1.97 0.16 0.00 -0.34 0.00 0.00 43.02 41.10 1t5x s PHE 17 CO 0.31 -0.28 1.10 0.25 -1.46 0.00 0.00 175.22 175.15 1t5x n THR 18 N 3.97 0.91 -0.11 0.12 -2.24 0.27 -4.93 114.28 112.27 1t5x n THR 18 Ca -0.18 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1t5x n THR 18 Cb 0.52 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1t5x n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t5x n GLY 19 N 0.10 -0.19 3.38 3.38 0.00 -1.24 -4.85 105.19 105.78 1t5x n GLY 19 Ca 0.06 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 1t5x n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t5x s THR 20 N 0.14 5.12 0.66 2.61 2.01 -1.26 -4.75 115.64 120.17 1t5x s THR 20 Ca 0.00 -1.06 0.33 0.00 0.31 0.00 0.00 61.69 61.27 1t5x s THR 20 Cb 0.00 -4.04 0.34 0.00 0.01 0.00 0.00 72.50 68.81 1t5x s THR 20 CO 0.00 -0.54 2.03 -0.03 -0.69 0.00 0.00 174.62 175.39 1t5x h MET 21 N 8.70 0.00 -0.13 4.92 4.05 -1.66 0.19 114.93 131.00 1t5x h MET 21 Ca -0.28 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.18 1t5x h MET 21 Cb 1.11 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 1t5x h MET 21 CO 0.85 0.00 0.12 0.78 0.23 0.00 0.00 176.91 178.89 1t5x h GLY 22 N 0.00 0.00 2.00 1.39 0.00 -1.03 0.16 103.07 105.59 1t5x h GLY 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1t5x h GLY 22 CO -0.00 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.97 1t5x h ASN 23 N 0.00 0.00 0.06 0.19 2.35 -0.91 -0.34 115.58 116.93 1t5x h ASN 23 Ca 0.06 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.57 1t5x h ASN 23 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1t5x h ASN 23 CO -0.00 0.00 -1.30 -0.03 -1.65 0.00 0.00 177.43 174.45 1t5x h MET 24 N 0.00 0.12 -0.68 0.81 1.85 -0.91 -3.36 114.93 112.76 1t5x h MET 24 Ca 0.00 -0.21 0.13 0.00 -0.61 0.00 0.00 59.70 59.01 1t5x h MET 24 Cb 0.67 0.08 -0.09 0.00 0.43 0.00 0.00 31.60 32.69 1t5x h MET 24 CO 0.00 1.10 0.19 -0.22 -0.40 0.00 0.00 176.91 177.58 1t5x h LYS 25 N -0.60 0.30 -1.14 0.39 3.64 -1.02 -1.42 116.57 116.73 1t5x h LYS 25 Ca -0.31 -0.02 0.32 0.00 -1.27 0.00 0.00 60.65 59.37 1t5x h LYS 25 Cb 1.54 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.21 1t5x h LYS 25 CO -0.05 0.20 0.76 -0.92 -2.27 0.00 0.00 179.45 177.17 1t5x h TYR 26 N 0.31 0.42 0.00 1.91 3.20 -1.21 -0.85 116.97 120.75 1t5x h TYR 26 Ca 0.37 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1t5x h TYR 26 Cb 0.57 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1t5x h TYR 26 CO -0.23 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.57 1t5x n LEU 27 N -4.48 0.66 0.00 2.82 4.77 -0.53 -4.09 117.00 116.15 1t5x n LEU 27 Ca 0.27 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 1t5x n LEU 27 Cb 1.09 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1t5x n LEU 27 CO 0.30 -0.21 0.00 -1.22 -1.33 0.00 0.00 177.39 174.93 1t5x n TYR 28 N -2.14 0.00 -2.71 -1.77 4.02 -0.43 -4.70 117.16 109.43 1t5x n TYR 28 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1t5x n TYR 28 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.67 1t5x n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1t5x s ASP 29 N -0.73 6.27 -1.43 7.72 3.68 -0.57 -3.79 116.67 127.81 1t5x s ASP 29 Ca 0.00 -0.98 -0.05 0.00 2.13 0.00 0.00 52.55 53.65 1t5x s ASP 29 Cb 0.00 -2.49 0.00 0.00 -1.45 0.00 0.00 42.92 38.98 1t5x s ASP 29 CO 0.00 -1.56 0.29 -0.67 0.13 0.00 0.00 175.17 173.36 1t5x n ASP 30 N 8.36 -0.44 -3.69 -0.34 2.03 -1.26 -4.93 116.55 116.28 1t5x n ASP 30 Ca 0.07 -1.15 -0.24 0.00 0.52 0.00 0.00 54.79 53.99 1t5x n ASP 30 Cb 0.48 -2.31 -0.17 0.00 -0.72 0.00 0.00 41.12 38.40 1t5x n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1t5x s HIS 31 N -4.07 0.39 -0.25 -0.67 2.46 -1.26 -5.12 115.29 106.76 1t5x s HIS 31 Ca 0.08 -0.17 -0.37 0.00 0.47 0.00 0.00 55.06 55.06 1t5x s HIS 31 Cb -0.04 -0.70 0.15 0.00 -0.13 0.00 0.00 32.58 31.86 1t5x s HIS 31 CO 0.94 -0.38 1.31 1.52 -2.47 0.00 0.00 174.74 175.67 1t5x s TYR 32 N 2.07 -0.06 -0.13 3.88 -0.85 -1.26 -4.58 117.35 116.42 1t5x s TYR 32 Ca 0.03 0.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.58 1t5x s TYR 32 Cb -0.14 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 1t5x s TYR 32 CO -0.06 -0.09 0.01 0.08 -1.52 0.00 0.00 175.55 173.97 1t5x s VAL 33 N -2.16 4.36 -0.04 -3.49 1.01 0.10 -4.94 120.40 115.26 1t5x s VAL 33 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1t5x s VAL 33 Cb -0.01 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1t5x s VAL 33 CO -0.03 0.54 0.07 -0.55 0.00 0.00 0.00 175.10 175.12 1t5x s SER 34 N -0.26 0.46 0.01 3.32 0.15 -1.26 -1.99 113.70 114.14 1t5x s SER 34 Ca 0.06 0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 1t5x s SER 34 Cb -0.12 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1t5x s SER 34 CO 0.02 -0.18 -0.01 0.00 1.20 0.00 0.00 173.24 174.27 1t5x s ALA 35 N 1.56 0.05 -0.08 5.45 0.00 0.03 -4.97 121.76 123.80 1t5x s ALA 35 Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1t5x s ALA 35 Cb -0.12 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1t5x s ALA 35 CO -0.04 -0.14 -0.10 0.99 0.00 0.00 0.00 175.76 176.47 1t5x s THR 36 N -1.25 1.05 -0.68 0.00 2.01 -1.26 -0.61 115.64 114.89 1t5x s THR 36 Ca -0.14 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 1t5x s THR 36 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1t5x s THR 36 CO -0.01 0.35 0.67 1.17 -0.69 0.00 0.00 174.62 176.11 1t5x n LYS 37 N 4.17 -1.39 -4.08 4.92 4.81 -0.29 -4.98 118.16 121.32 1t5x n LYS 37 Ca -0.20 1.53 -0.10 0.00 -0.87 0.00 0.00 58.31 58.67 1t5x n LYS 37 Cb 0.51 -5.62 -0.11 0.00 0.02 0.00 0.00 35.03 29.83 1t5x n LYS 37 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1t5x s VAL 38 N -2.95 0.39 0.10 3.15 -7.23 -0.10 -4.88 120.40 108.88 1t5x s VAL 38 Ca 0.03 -1.49 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 1t5x s VAL 38 Cb -0.01 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 1t5x s VAL 38 CO 0.73 -0.73 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.81 1t5x s LYS 39 N -2.87 1.27 0.63 4.82 2.20 -1.26 -0.82 119.74 123.71 1t5x s LYS 39 Ca -0.00 -1.18 -0.18 0.00 -0.36 0.00 0.00 55.97 54.24 1t5x s LYS 39 Cb -0.00 -1.57 -0.02 0.00 -1.51 0.00 0.00 37.83 34.73 1t5x s LYS 39 CO -0.04 0.37 1.22 -1.54 -0.36 0.00 0.00 175.35 175.00 1t5x s SER 40 N -1.83 4.87 0.00 1.43 1.04 -1.26 -4.69 113.70 113.27 1t5x s SER 40 Ca 0.09 2.42 0.00 0.00 0.48 0.00 0.00 55.95 58.94 1t5x s SER 40 Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1t5x s SER 40 CO 0.04 -1.81 0.24 1.33 0.98 0.00 0.00 173.24 174.02 1t5x n VAL 41 N -1.89 0.00 -3.71 5.02 0.24 -0.11 -4.96 118.33 112.92 1t5x n VAL 41 Ca 0.14 -0.43 -0.05 0.00 -2.04 0.00 0.00 64.34 61.96 1t5x n VAL 41 Cb 0.49 1.08 0.02 0.00 -1.47 0.00 0.00 33.84 33.97 1t5x n VAL 41 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1t5x n ASP 42 N -0.38 -1.68 -3.64 -1.34 4.64 -1.18 -5.02 116.55 107.95 1t5x n ASP 42 Ca 0.00 -2.07 -0.09 0.00 -1.38 0.00 0.00 54.79 51.26 1t5x n ASP 42 Cb 0.02 2.78 -0.07 0.00 -1.04 0.00 0.00 41.12 42.81 1t5x n ASP 42 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1t5x s SER 43 N -2.80 -0.66 -0.09 1.67 0.15 -1.26 -1.80 113.70 108.90 1t5x s SER 43 Ca 0.15 1.17 -0.07 0.00 0.70 0.00 0.00 55.95 57.91 1t5x s SER 43 Cb -0.03 1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 1t5x s SER 43 CO 0.08 -0.19 -0.13 0.33 1.20 0.00 0.00 173.24 174.52 1t5x n PHE 44 N 3.16 0.48 -4.19 3.44 -0.00 -1.26 -4.96 117.46 114.12 1t5x n PHE 44 Ca -0.16 0.21 -0.25 0.00 -0.00 0.00 0.00 57.45 57.25 1t5x n PHE 44 Cb 0.57 -0.53 -0.07 0.00 -0.00 0.00 0.00 39.48 39.45 1t5x n PHE 44 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1t5x s PHE 45 N -1.84 2.90 -0.25 -5.13 2.99 -1.26 -5.02 117.98 110.38 1t5x s PHE 45 Ca -0.11 -0.14 0.21 0.00 0.00 0.00 0.00 56.93 56.89 1t5x s PHE 45 Cb 0.01 -1.36 1.11 0.00 0.00 0.00 0.00 43.02 42.79 1t5x s PHE 45 CO 0.16 0.54 1.63 0.36 -0.00 0.00 0.00 175.22 177.91 1t5x n LYS 46 N -0.52 0.13 -0.36 0.44 2.85 -1.26 -1.68 118.16 117.76 1t5x n LYS 46 Ca -0.08 0.62 0.12 0.00 -1.05 0.00 0.00 58.31 57.92 1t5x n LYS 46 Cb 0.56 -1.93 0.31 0.00 -0.65 0.00 0.00 35.03 33.32 1t5x n LYS 46 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1t5x n TRP 47 N -2.22 0.94 -4.35 5.58 2.14 -1.26 -4.45 117.44 113.83 1t5x n TRP 47 Ca -0.01 -0.47 -0.18 0.00 2.07 0.00 0.00 57.50 58.91 1t5x n TRP 47 Cb 0.04 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.44 1t5x n TRP 47 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 1t5x s ASP 48 N -1.02 2.22 0.01 -0.67 1.47 -0.68 -0.93 116.67 117.08 1t5x s ASP 48 Ca 0.48 -1.14 0.03 0.00 1.18 0.00 0.00 52.55 53.10 1t5x s ASP 48 Cb 0.25 -0.07 -0.01 0.00 -0.34 0.00 0.00 42.92 42.75 1t5x s ASP 48 CO 0.33 -0.37 -0.08 -0.76 0.68 0.00 0.00 175.17 174.97 1t5x s LEU 49 N -3.32 2.09 -0.11 2.11 1.43 -0.58 -4.48 118.68 115.82 1t5x s LEU 49 Ca 0.25 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1t5x s LEU 49 Cb 0.03 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 1t5x s LEU 49 CO 0.08 0.01 -0.15 -0.63 0.23 0.00 0.00 176.35 175.89 1t5x s ILE 50 N -0.54 2.94 0.22 -0.59 1.01 -0.75 -1.05 121.20 122.44 1t5x s ILE 50 Ca -0.00 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 60.03 1t5x s ILE 50 Cb -0.05 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1t5x s ILE 50 CO 0.00 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 174.99 1t5x s TYR 51 N 0.13 2.03 -0.57 3.97 1.51 -0.10 -0.93 117.35 123.39 1t5x s TYR 51 Ca -0.07 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.37 1t5x s TYR 51 Cb -0.15 -0.94 0.10 0.00 -0.11 0.00 0.00 41.96 40.87 1t5x s TYR 51 CO 0.05 0.50 0.65 -0.80 -1.11 0.00 0.00 175.55 174.84 1t5x s ASN 52 N -3.15 6.19 -0.04 2.29 0.01 -1.26 -1.36 114.94 117.62 1t5x s ASN 52 Ca 0.23 -1.46 0.00 0.00 -0.71 0.00 0.00 52.86 50.92 1t5x s ASN 52 Cb -0.04 -2.28 0.03 0.00 0.41 0.00 0.00 41.25 39.36 1t5x s ASN 52 CO 0.10 -1.04 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.02 1t5x s ILE 53 N 2.44 0.28 -0.01 0.60 1.01 -0.64 -5.00 121.20 119.88 1t5x s ILE 53 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 1t5x s ILE 53 Cb -0.25 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1t5x s ILE 53 CO 0.06 0.18 0.18 -0.44 0.00 0.00 0.00 174.94 174.92 1t5x s SER 54 N 1.13 6.33 -1.32 3.58 0.01 -1.26 -3.40 113.70 118.77 1t5x s SER 54 Ca -0.08 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 57.34 1t5x s SER 54 Cb -0.14 -1.98 0.07 0.00 0.21 0.00 0.00 66.02 64.19 1t5x s SER 54 CO -0.02 0.26 1.79 -0.67 0.41 0.00 0.00 173.24 175.01 1t5x n ASP 55 N 0.93 4.82 -0.22 2.44 4.64 0.38 -4.76 116.55 124.77 1t5x n ASP 55 Ca -0.11 -2.91 0.22 0.00 -1.38 0.00 0.00 54.79 50.60 1t5x n ASP 55 Cb 0.52 -1.73 0.57 0.00 -1.04 0.00 0.00 41.12 39.45 1t5x n ASP 55 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1t5x h LYS 56 N 7.33 0.28 0.00 -0.67 -0.00 -1.95 0.59 116.57 122.15 1t5x h LYS 56 Ca 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 61.09 1t5x h LYS 56 Cb 0.84 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.00 1t5x h LYS 56 CO 1.51 0.19 0.00 1.63 -0.00 0.00 0.00 179.45 182.77 1t5x n LYS 57 N -4.45 0.00 -0.41 0.07 5.02 -1.26 -4.39 118.16 112.74 1t5x n LYS 57 Ca 0.19 0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1t5x n LYS 57 Cb 0.76 -0.83 0.21 0.00 -0.02 0.00 0.00 35.03 35.15 1t5x n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1t5x n LEU 58 N -0.44 3.35 -4.00 -0.35 7.99 -1.18 -4.99 117.00 117.38 1t5x n LEU 58 Ca 0.00 -3.26 -0.27 0.00 -0.01 0.00 0.00 56.01 52.47 1t5x n LEU 58 Cb 0.00 -0.53 -0.02 0.00 -0.11 0.00 0.00 43.42 42.76 1t5x n LEU 58 CO 0.00 0.85 -0.20 0.29 -1.51 0.00 0.00 177.39 176.82 1t5x n LYS 59 N -0.97 -3.27 0.00 3.23 4.76 0.20 -4.87 118.16 117.24 1t5x n LYS 59 Ca 0.22 0.40 0.12 0.00 -2.87 0.00 0.00 58.31 56.17 1t5x n LYS 59 Cb 0.83 -4.62 0.17 0.00 -1.84 0.00 0.00 35.03 29.57 1t5x n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1t5x n ASN 60 N -2.93 0.78 -3.56 4.39 5.03 -1.26 -4.95 115.26 112.77 1t5x n ASN 60 Ca -0.24 -0.60 -0.07 0.00 0.87 0.00 0.00 54.58 54.55 1t5x n ASN 60 Cb 0.65 0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 39.81 1t5x n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1t5x s TYR 61 N -2.90 -0.23 0.00 3.10 -0.85 -1.26 -4.24 117.35 110.96 1t5x s TYR 61 Ca 0.13 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.88 1t5x s TYR 61 Cb 0.17 0.51 0.00 0.00 0.38 0.00 0.00 41.96 43.03 1t5x s TYR 61 CO 0.71 -0.33 0.07 -0.40 -1.52 0.00 0.00 175.55 174.07 1t5x n ASP 62 N 0.00 0.14 -4.13 -0.18 3.85 -0.46 -0.47 116.55 115.29 1t5x n ASP 62 Ca -0.04 -0.64 -0.26 0.00 -0.71 0.00 0.00 54.79 53.14 1t5x n ASP 62 Cb 0.59 0.10 -0.16 0.00 -1.35 0.00 0.00 41.12 40.30 1t5x n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1t5x s LYS 63 N -0.10 1.83 -0.04 0.11 -0.14 -1.13 -1.62 119.74 118.65 1t5x s LYS 63 Ca 0.00 -0.61 0.03 0.00 -1.36 0.00 0.00 55.97 54.03 1t5x s LYS 63 Cb 0.00 -1.58 0.00 0.00 -1.68 0.00 0.00 37.83 34.58 1t5x s LYS 63 CO 0.00 0.23 -0.12 0.08 -0.76 0.00 0.00 175.35 174.78 1t5x s VAL 64 N 0.08 1.08 -0.14 3.17 1.01 -0.47 -2.13 120.40 123.00 1t5x s VAL 64 Ca -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1t5x s VAL 64 Cb -0.12 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1t5x s VAL 64 CO 0.03 0.33 -0.10 -0.75 0.00 0.00 0.00 175.10 174.60 1t5x s LYS 65 N 0.29 3.47 -0.10 2.72 2.20 -0.72 -0.92 119.74 126.67 1t5x s LYS 65 Ca -0.07 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1t5x s LYS 65 Cb -0.12 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.47 1t5x s LYS 65 CO 0.02 0.21 -0.20 -0.08 -0.36 0.00 0.00 175.35 174.94 1t5x s THR 66 N 0.39 2.45 -0.11 3.43 -1.32 -0.21 -0.35 115.64 119.93 1t5x s THR 66 Ca -0.08 -0.88 -0.07 0.00 -1.21 0.00 0.00 61.69 59.44 1t5x s THR 66 Cb -0.15 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.82 1t5x s THR 66 CO 0.05 0.55 0.15 -1.61 -2.21 0.00 0.00 174.62 171.54 1t5x s GLU 67 N 0.25 3.45 0.35 7.08 2.02 0.23 -1.53 118.70 130.55 1t5x s GLU 67 Ca -0.13 -0.13 0.09 0.00 0.02 0.00 0.00 54.97 54.81 1t5x s GLU 67 Cb -0.17 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 1t5x s GLU 67 CO 0.07 0.77 0.05 -0.51 0.02 0.00 0.00 175.26 175.66 1t5x s LEU 68 N -1.09 3.04 0.58 1.80 1.43 -0.10 -1.28 118.68 123.06 1t5x s LEU 68 Ca 0.16 -0.96 0.28 0.00 -1.03 0.00 0.00 54.13 52.58 1t5x s LEU 68 Cb -0.12 -1.42 1.71 0.00 0.03 0.00 0.00 46.19 46.38 1t5x s LEU 68 CO 0.05 -0.28 2.19 0.25 0.23 0.00 0.00 176.35 178.80 1t5x h LEU 69 N 1.73 0.00 -7.78 1.79 5.85 -1.63 -3.45 115.31 111.81 1t5x h LEU 69 Ca -0.43 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.44 1t5x h LEU 69 Cb 1.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1t5x h LEU 69 CO 0.67 0.00 0.46 0.54 -0.34 0.00 0.00 178.44 179.77 1t5x s ASN 70 N -6.13 -0.13 0.28 1.25 2.20 -1.26 -5.05 114.94 106.09 1t5x s ASN 70 Ca -0.05 -0.54 -0.03 0.00 -0.94 0.00 0.00 52.86 51.30 1t5x s ASN 70 Cb 0.15 0.55 0.38 0.00 -2.00 0.00 0.00 41.25 40.33 1t5x s ASN 70 CO 0.56 -1.03 1.93 -0.08 -2.94 0.00 0.00 177.10 175.54 1t5x h GLU 71 N 2.00 1.13 -0.91 3.55 4.81 -1.87 -2.75 114.58 120.53 1t5x h GLU 71 Ca -0.25 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1t5x h GLU 71 Cb 1.23 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 1t5x h GLU 71 CO 0.28 0.78 0.60 -0.44 -0.73 0.00 0.00 179.01 179.50 1t5x h ASP 72 N 1.15 1.01 -0.52 1.04 3.32 -1.97 0.31 116.42 120.78 1t5x h ASP 72 Ca 0.30 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1t5x h ASP 72 Cb -0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1t5x h ASP 72 CO -0.06 0.71 0.31 -0.07 -1.72 0.00 0.00 179.24 178.42 1t5x h LEU 73 N 1.19 0.62 -0.25 1.55 3.38 -1.89 0.82 115.31 120.73 1t5x h LEU 73 Ca 0.35 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1t5x h LEU 73 Cb -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1t5x h LEU 73 CO -0.10 0.49 0.09 0.00 0.09 0.00 0.00 178.44 179.01 1t5x h ALA 74 N 1.15 0.33 -0.64 1.53 0.00 -1.16 -2.69 119.26 117.79 1t5x h ALA 74 Ca 0.19 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1t5x h ALA 74 Cb -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1t5x h ALA 74 CO -0.04 -0.05 0.36 0.87 0.00 0.00 0.00 179.25 180.39 1t5x h LYS 75 N 0.25 0.65 -0.77 0.00 1.57 -0.11 0.96 116.57 119.11 1t5x h LYS 75 Ca 0.08 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1t5x h LYS 75 Cb 0.22 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 1t5x h LYS 75 CO -0.00 0.43 0.34 -0.22 -0.57 0.00 0.00 179.45 179.42 1t5x h LYS 76 N 0.67 0.48 -0.01 3.15 3.64 -0.53 -3.01 116.57 120.97 1t5x h LYS 76 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1t5x h LYS 76 Cb 0.16 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1t5x h LYS 76 CO -0.17 0.32 -0.63 0.66 -2.27 0.00 0.00 179.45 177.36 1t5x n TYR 77 N -4.96 0.00 -0.28 1.91 4.02 -0.95 -4.66 117.16 112.25 1t5x n TYR 77 Ca 0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.06 1t5x n TYR 77 Cb 0.41 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.82 1t5x n TYR 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1t5x h LYS 78 N 1.19 -0.00 -0.39 -0.72 3.64 -0.68 -2.03 116.57 117.57 1t5x h LYS 78 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1t5x h LYS 78 Cb 0.57 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1t5x h LYS 78 CO 0.00 -0.00 0.04 -0.25 -2.27 0.00 0.00 179.45 176.97 1t5x n ASP 79 N -5.52 3.41 -4.93 4.20 8.00 -1.26 -3.98 116.55 116.48 1t5x n ASP 79 Ca 0.11 -3.38 -0.26 0.00 0.71 0.00 0.00 54.79 51.96 1t5x n ASP 79 Cb 0.40 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1t5x n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t5x s GLU 80 N -3.05 3.54 -0.35 -1.24 0.41 -0.77 -5.04 118.70 112.21 1t5x s GLU 80 Ca 0.46 -0.24 -0.18 0.00 -0.41 0.00 0.00 54.97 54.59 1t5x s GLU 80 Cb 0.39 -2.72 -0.00 0.00 -1.78 0.00 0.00 34.13 30.02 1t5x s GLU 80 CO 0.06 0.25 0.53 0.08 -0.49 0.00 0.00 175.26 175.69 1t5x s VAL 81 N -2.10 5.00 0.37 2.63 1.01 -1.26 -4.39 120.40 121.66 1t5x s VAL 81 Ca 0.41 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1t5x s VAL 81 Cb -0.10 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1t5x s VAL 81 CO 0.32 -0.23 0.08 1.33 0.00 0.00 0.00 175.10 176.60 1t5x n VAL 82 N 5.44 0.00 -4.31 2.92 0.24 0.00 -1.69 118.33 120.94 1t5x n VAL 82 Ca -0.04 -1.97 -0.24 0.00 -2.04 0.00 0.00 64.34 60.04 1t5x n VAL 82 Cb 0.49 0.59 -0.12 0.00 -1.47 0.00 0.00 33.84 33.32 1t5x n VAL 82 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1t5x s ASP 83 N -3.16 2.69 -0.03 -1.34 1.01 -0.16 -0.92 116.67 114.77 1t5x s ASP 83 Ca 0.11 -0.73 0.02 0.00 0.71 0.00 0.00 52.55 52.66 1t5x s ASP 83 Cb 0.01 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.78 1t5x s ASP 83 CO 0.08 0.06 -0.08 -0.69 0.21 0.00 0.00 175.17 174.74 1t5x s VAL 84 N -1.31 0.74 -0.16 -1.27 1.01 0.22 -2.38 120.40 117.24 1t5x s VAL 84 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1t5x s VAL 84 Cb -0.09 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.69 1t5x s VAL 84 CO 0.05 0.24 0.37 -0.47 0.00 0.00 0.00 175.10 175.29 1t5x s TYR 85 N 0.25 -0.59 -0.07 5.22 5.04 -0.74 -0.79 117.35 125.68 1t5x s TYR 85 Ca -0.04 1.24 -0.32 0.00 -2.44 0.00 0.00 57.07 55.51 1t5x s TYR 85 Cb -0.09 0.21 0.14 0.00 0.35 0.00 0.00 41.96 42.57 1t5x s TYR 85 CO 0.00 -0.36 1.39 0.20 -1.34 0.00 0.00 175.55 175.45 1t5x s GLY 86 N 1.74 -0.46 -0.23 8.97 0.00 -0.84 -4.31 107.32 112.19 1t5x s GLY 86 Ca -0.07 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.31 1t5x s GLY 86 CO -0.12 0.56 0.47 -0.45 0.00 0.00 0.00 173.10 173.56 1t5x s SER 87 N -3.05 6.45 0.27 1.64 0.15 -1.26 0.03 113.70 117.92 1t5x s SER 87 Ca 0.16 0.53 0.06 0.00 0.70 0.00 0.00 55.95 57.40 1t5x s SER 87 Cb 0.06 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1t5x s SER 87 CO -0.06 -0.19 0.32 0.54 1.20 0.00 0.00 173.24 175.06 1t5x s ASN 88 N 1.32 5.91 0.14 5.45 6.03 -1.26 -4.57 114.94 127.95 1t5x s ASN 88 Ca 0.21 -0.13 0.01 0.00 -1.03 0.00 0.00 52.86 51.92 1t5x s ASN 88 Cb -0.15 -1.52 -0.04 0.00 -3.03 0.00 0.00 41.25 36.50 1t5x s ASN 88 CO 0.09 -0.15 -0.02 -0.72 -2.03 0.00 0.00 177.10 174.27 1t5x s TYR 89 N -2.09 1.04 0.00 1.54 1.13 -0.11 -4.94 117.35 113.91 1t5x s TYR 89 Ca 0.36 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1t5x s TYR 89 Cb -0.08 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.18 1t5x s TYR 89 CO 0.28 -0.21 0.00 0.66 -2.51 0.00 0.00 175.55 173.76 1t5x n TYR 90 N -0.14 0.00 -1.70 -3.49 4.02 -1.26 -1.71 117.16 112.87 1t5x n TYR 90 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 1t5x n TYR 90 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.91 1t5x n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1t5x s VAL 91 N -1.93 2.96 -1.17 -0.72 1.01 -1.26 -1.40 120.40 117.88 1t5x s VAL 91 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1t5x s VAL 91 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1t5x s VAL 91 CO 0.00 -0.01 0.06 0.59 0.00 0.00 0.00 175.10 175.74 1t5x n ASN 92 N 7.13 -4.33 -4.55 3.32 5.03 -1.26 -4.69 115.26 115.91 1t5x n ASN 92 Ca 0.19 -0.04 -0.41 0.00 0.87 0.00 0.00 54.58 55.20 1t5x n ASN 92 Cb 0.41 -3.45 -0.09 0.00 -1.02 0.00 0.00 39.78 35.62 1t5x n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1t5x s TYR 94 N 2.10 0.52 0.00 0.00 2.02 -1.26 -4.99 117.35 115.74 1t5x s TYR 94 Ca 0.13 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1t5x s TYR 94 Cb -0.16 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 1t5x s TYR 94 CO 0.12 -0.01 0.00 1.97 -1.57 0.00 0.00 175.55 176.06 1t5x n PHE 95 N 2.88 0.00 -3.42 2.71 1.16 -1.26 -5.11 117.46 114.42 1t5x n PHE 95 Ca -0.13 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.01 1t5x n PHE 95 Cb 0.58 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.36 1t5x n PHE 95 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1t5x s SER 96 N 0.00 6.13 0.48 5.98 0.15 -1.26 -5.14 113.70 120.04 1t5x s SER 96 Ca 0.00 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1t5x s SER 96 Cb 0.00 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1t5x s SER 96 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1t5x n GLY 106 N 5.18 -4.42 3.80 9.45 0.00 -1.26 -4.84 105.19 113.10 1t5x n GLY 106 Ca -0.11 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1t5x n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t5x s GLY 107 N -3.05 1.64 0.11 -0.02 0.00 -1.26 -4.83 107.32 99.91 1t5x s GLY 107 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.73 1t5x s GLY 107 CO 0.00 0.34 -0.13 0.54 0.00 0.00 0.00 173.10 173.85 1t5x s LYS 108 N -5.07 0.95 0.06 2.90 1.02 -1.26 -1.35 119.74 116.99 1t5x s LYS 108 Ca 0.60 -1.19 -0.07 0.00 0.02 0.00 0.00 55.97 55.33 1t5x s LYS 108 Cb -0.15 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.36 1t5x s LYS 108 CO 0.55 0.15 0.15 -0.08 -0.92 0.00 0.00 175.35 175.19 1t5x s THR 109 N -2.13 0.14 0.28 2.17 -1.32 -0.91 -4.87 115.64 109.00 1t5x s THR 109 Ca 0.07 -1.13 0.09 0.00 -1.21 0.00 0.00 61.69 59.51 1t5x s THR 109 Cb -0.05 -1.11 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 1t5x s THR 109 CO 0.02 -0.63 -0.13 0.00 -2.21 0.00 0.00 174.62 171.67 1t5x n MET 111 N -0.60 0.75 -4.18 0.00 0.00 0.53 -0.94 117.12 112.67 1t5x n MET 111 Ca -0.06 -1.58 -0.16 0.00 0.00 0.00 0.00 57.70 55.91 1t5x n MET 111 Cb 0.62 2.06 -0.11 0.00 0.00 0.00 0.00 33.22 35.78 1t5x n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1t5x s TYR 112 N -2.65 1.14 0.00 3.17 1.51 -1.26 -0.60 117.35 118.66 1t5x s TYR 112 Ca 0.18 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1t5x s TYR 112 Cb -0.03 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1t5x s TYR 112 CO 0.07 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.96 1t5x n GLY 113 N 0.72 1.67 2.17 0.71 0.00 -0.41 -4.79 105.19 105.26 1t5x n GLY 113 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1t5x n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t5x n GLY 114 N 0.00 0.48 3.72 -0.02 0.00 -1.26 -4.82 105.19 103.29 1t5x n GLY 114 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1t5x n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t5x s ILE 115 N -2.02 4.88 -0.06 -0.61 1.01 -1.26 -1.78 121.20 121.36 1t5x s ILE 115 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1t5x s ILE 115 Cb 0.00 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1t5x s ILE 115 CO 0.00 0.54 0.14 0.42 0.00 0.00 0.00 174.94 176.05 1t5x s THR 116 N -0.34 -0.01 0.31 2.92 -4.23 -1.00 -4.95 115.64 108.34 1t5x s THR 116 Ca 0.09 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 1t5x s THR 116 Cb -0.12 -0.21 -0.12 0.00 1.34 0.00 0.00 72.50 73.39 1t5x s THR 116 CO 0.02 0.01 1.49 1.17 -0.54 0.00 0.00 174.62 176.77 1t5x n LYS 117 N 3.16 2.48 0.05 3.99 4.81 -1.26 -0.99 118.16 130.40 1t5x n LYS 117 Ca -0.14 0.88 -0.03 0.00 -0.87 0.00 0.00 58.31 58.15 1t5x n LYS 117 Cb 0.58 -2.60 -0.08 0.00 0.02 0.00 0.00 35.03 32.96 1t5x n LYS 117 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1t5x h HIS 118 N 3.97 0.00 -2.23 5.64 -0.00 -1.60 -3.43 115.15 117.50 1t5x h HIS 118 Ca -0.47 0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.35 1t5x h HIS 118 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.67 1t5x h HIS 118 CO 0.56 0.73 1.30 -1.91 -0.00 0.00 0.00 177.93 178.60 1t5x n GLU 119 N -3.08 2.59 -4.03 5.26 4.07 -1.26 -2.94 120.64 121.25 1t5x n GLU 119 Ca -0.07 0.90 -0.32 0.00 -0.06 0.00 0.00 57.16 57.61 1t5x n GLU 119 Cb 0.88 -3.04 0.01 0.00 -0.06 0.00 0.00 31.44 29.22 1t5x n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t5x n GLY 120 N 4.87 -0.47 0.09 8.31 0.00 -1.26 -4.84 105.19 111.90 1t5x n GLY 120 Ca 0.23 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1t5x n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t5x n ASN 121 N -2.77 1.73 -4.82 1.61 4.05 -1.15 -4.98 115.26 108.93 1t5x n ASN 121 Ca 0.04 -1.61 -0.24 0.00 0.45 0.00 0.00 54.58 53.21 1t5x n ASN 121 Cb 0.52 -0.02 -0.04 0.00 1.23 0.00 0.00 39.78 41.46 1t5x n ASN 121 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1t5x s HIS 122 N -0.65 2.39 -0.07 1.20 3.76 -1.26 -0.58 115.29 120.08 1t5x s HIS 122 Ca 0.03 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1t5x s HIS 122 Cb 0.02 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 1t5x s HIS 122 CO 0.02 -0.06 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.74 1t5x s PHE 123 N -2.61 2.98 0.32 1.40 0.40 -1.26 -4.89 117.98 114.32 1t5x s PHE 123 Ca 0.40 0.06 -0.28 0.00 -0.60 0.00 0.00 56.93 56.51 1t5x s PHE 123 Cb 0.00 -1.72 -0.10 0.00 0.51 0.00 0.00 43.02 41.71 1t5x s PHE 123 CO 0.23 0.36 1.20 0.16 0.70 0.00 0.00 175.22 177.87 1t5x s ASP 124 N -0.86 6.95 -0.42 1.36 -4.77 -1.26 -3.71 116.67 113.96 1t5x s ASP 124 Ca 0.13 2.46 -0.03 0.00 -3.30 0.00 0.00 52.55 51.81 1t5x s ASP 124 Cb -0.11 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 1t5x s ASP 124 CO 0.02 -0.38 0.37 0.59 0.70 0.00 0.00 175.17 176.46 1t5x n ASN 125 N 0.86 -3.37 -3.17 2.11 5.03 -1.26 -3.65 115.26 111.80 1t5x n ASN 125 Ca 0.00 -0.17 -0.21 0.00 0.87 0.00 0.00 54.58 55.07 1t5x n ASN 125 Cb 0.44 -1.91 -0.00 0.00 -1.02 0.00 0.00 39.78 37.29 1t5x n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1t5x n GLY 126 N -0.97 -0.49 3.72 7.41 0.00 -1.24 -4.90 105.19 108.71 1t5x n GLY 126 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1t5x n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t5x s ASN 127 N -2.60 7.27 0.04 1.61 0.02 -1.24 -5.04 114.94 115.00 1t5x s ASN 127 Ca 0.32 1.87 0.02 0.00 -1.02 0.00 0.00 52.86 54.05 1t5x s ASN 127 Cb -0.17 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.48 1t5x s ASN 127 CO 0.39 -0.30 0.04 -0.76 0.02 0.00 0.00 177.10 176.50 1t5x s LEU 128 N 0.67 3.69 -0.18 0.60 1.43 -1.26 -4.48 118.68 119.15 1t5x s LEU 128 Ca 0.53 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 1t5x s LEU 128 Cb -0.26 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1t5x s LEU 128 CO 0.30 0.23 0.15 -1.58 0.23 0.00 0.00 176.35 175.68 1t5x s GLN 129 N -1.98 4.07 0.12 1.70 2.00 -0.15 -4.92 119.66 120.51 1t5x s GLN 129 Ca 0.24 -0.16 -0.16 0.00 -2.00 0.00 0.00 55.36 53.28 1t5x s GLN 129 Cb -0.12 -3.38 -0.07 0.00 0.80 0.00 0.00 33.01 30.24 1t5x s GLN 129 CO 0.16 0.38 0.55 -0.80 -0.50 0.00 0.00 175.29 175.07 1t5x s ASN 130 N 0.13 6.89 -0.07 6.67 0.01 -1.26 -1.99 114.94 125.33 1t5x s ASN 130 Ca 0.10 1.12 0.03 0.00 -0.71 0.00 0.00 52.86 53.40 1t5x s ASN 130 Cb -0.11 -2.31 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1t5x s ASN 130 CO -0.00 0.16 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.92 1t5x s VAL 131 N -1.35 1.30 0.13 1.60 1.01 0.13 -4.83 120.40 118.39 1t5x s VAL 131 Ca 0.35 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1t5x s VAL 131 Cb -0.16 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 1t5x s VAL 131 CO 0.19 0.39 1.25 -0.22 0.00 0.00 0.00 175.10 176.70 1t5x s LEU 132 N 0.55 4.40 -0.10 3.92 2.96 -1.26 -2.00 118.68 127.16 1t5x s LEU 132 Ca -0.14 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1t5x s LEU 132 Cb -0.16 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1t5x s LEU 132 CO 0.04 -0.48 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.82 1t5x s VAL 133 N 0.59 1.00 -0.15 1.68 1.01 0.12 -1.48 120.40 123.17 1t5x s VAL 133 Ca 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1t5x s VAL 133 Cb -0.33 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1t5x s VAL 133 CO 0.33 0.35 -0.13 -0.13 0.00 0.00 0.00 175.10 175.53 1t5x s ARG 134 N 1.45 3.33 -0.16 2.72 0.52 -0.52 -1.16 118.95 125.13 1t5x s ARG 134 Ca -0.00 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1t5x s ARG 134 Cb -0.13 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 1t5x s ARG 134 CO -0.05 0.08 0.21 0.08 0.02 0.00 0.00 175.30 175.64 1t5x s VAL 135 N 0.68 5.36 -0.13 3.52 1.01 0.52 -1.05 120.40 130.32 1t5x s VAL 135 Ca -0.06 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1t5x s VAL 135 Cb -0.15 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1t5x s VAL 135 CO 0.02 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.04 1t5x s TYR 136 N 0.09 2.62 -0.23 5.22 1.51 0.94 -0.57 117.35 126.93 1t5x s TYR 136 Ca 0.13 -1.24 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 1t5x s TYR 136 Cb -0.12 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1t5x s TYR 136 CO 0.02 -0.54 -0.12 -1.21 -1.11 0.00 0.00 175.55 172.59 1t5x s GLU 137 N 0.65 2.69 -1.27 -0.62 2.02 -0.06 0.23 118.70 122.34 1t5x s GLU 137 Ca -0.11 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.81 1t5x s GLU 137 Cb -0.16 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1t5x s GLU 137 CO 0.02 -0.40 0.89 0.09 0.02 0.00 0.00 175.26 175.88 1t5x n ASN 138 N 4.58 -2.17 0.00 -0.19 3.02 -0.03 -2.60 115.26 117.87 1t5x n ASN 138 Ca -0.17 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1t5x n ASN 138 Cb 0.46 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 1t5x n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1t5x n LYS 139 N -4.29 -0.14 -5.09 3.52 5.02 -1.26 -5.00 118.16 110.92 1t5x n LYS 139 Ca -0.25 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.75 1t5x n LYS 139 Cb 0.66 -3.39 -0.15 0.00 -0.02 0.00 0.00 35.03 32.12 1t5x n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1t5x s ARG 140 N -0.47 2.65 -0.20 1.97 0.52 -1.07 -5.05 118.95 117.29 1t5x s ARG 140 Ca 0.00 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 1t5x s ARG 140 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1t5x s ARG 140 CO 0.00 0.43 1.80 1.21 0.02 0.00 0.00 175.30 178.76 1t5x s ASN 141 N -0.26 6.15 -0.24 0.23 2.47 -1.26 -0.88 114.94 121.15 1t5x s ASN 141 Ca 0.00 1.76 -0.16 0.00 0.42 0.00 0.00 52.86 54.88 1t5x s ASN 141 Cb -0.13 -2.53 -0.16 0.00 -1.45 0.00 0.00 41.25 36.98 1t5x s ASN 141 CO 0.03 -1.43 -0.05 0.35 -3.72 0.00 0.00 177.10 172.28 1t5x n THR 142 N 6.69 1.54 -4.04 -5.21 -2.24 0.26 -4.95 114.28 106.34 1t5x n THR 142 Ca 0.22 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1t5x n THR 142 Cb 0.45 -1.92 -0.10 0.00 -2.10 0.00 0.00 70.33 66.66 1t5x n THR 142 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1t5x s ILE 143 N -2.45 0.20 0.02 2.28 -4.36 -1.23 -5.03 121.20 110.62 1t5x s ILE 143 Ca -0.33 -1.63 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1t5x s ILE 143 Cb 0.10 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1t5x s ILE 143 CO 0.56 -0.90 -0.01 -0.44 0.24 0.00 0.00 174.94 174.39 1t5x s SER 144 N -2.77 0.21 0.00 4.36 0.01 -1.26 -0.36 113.70 113.89 1t5x s SER 144 Ca 0.05 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1t5x s SER 144 Cb 0.06 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1t5x s SER 144 CO -0.09 -0.31 0.00 2.22 0.41 0.00 0.00 173.24 175.47 1t5x n PHE 145 N 1.57 -0.45 -3.96 2.43 -1.74 -0.31 -5.02 117.46 109.98 1t5x n PHE 145 Ca -0.24 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.56 1t5x n PHE 145 Cb 0.55 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.44 1t5x n PHE 145 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1t5x s GLU 146 N -0.80 0.34 0.37 3.97 2.02 -1.26 -0.70 118.70 122.64 1t5x s GLU 146 Ca 0.00 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 54.49 1t5x s GLU 146 Cb 0.00 0.12 -0.07 0.00 0.10 0.00 0.00 34.13 34.29 1t5x s GLU 146 CO 0.00 -0.06 -0.03 0.14 0.02 0.00 0.00 175.26 175.33 1t5x s VAL 147 N -1.46 2.20 0.06 2.63 -7.23 -0.85 -4.90 120.40 110.85 1t5x s VAL 147 Ca -0.16 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 57.96 1t5x s VAL 147 Cb -0.10 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1t5x s VAL 147 CO -0.01 -0.12 -0.07 0.00 -0.31 0.00 0.00 175.10 174.60 1t5x s GLN 148 N -3.68 0.60 0.06 4.82 -2.07 -1.26 -0.70 119.66 117.44 1t5x s GLN 148 Ca 0.34 -0.92 0.01 0.00 -1.82 0.00 0.00 55.36 52.97 1t5x s GLN 148 Cb 0.05 -0.22 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 1t5x s GLN 148 CO 0.18 0.02 -0.06 -0.08 -1.32 0.00 0.00 175.29 174.03 1t5x s THR 149 N -2.10 0.48 -1.64 3.63 -1.32 -0.84 -4.94 115.64 108.91 1t5x s THR 149 Ca -0.04 -1.52 0.19 0.00 -1.21 0.00 0.00 61.69 59.11 1t5x s THR 149 Cb -0.05 -1.14 0.63 0.00 -1.51 0.00 0.00 72.50 70.43 1t5x s THR 149 CO -0.02 -0.70 1.53 -0.90 -2.21 0.00 0.00 174.62 172.32 1t5x n ASP 150 N 0.66 3.99 -4.42 8.08 5.75 -1.26 -0.97 116.55 128.37 1t5x n ASP 150 Ca -0.17 -2.18 -0.30 0.00 -0.01 0.00 0.00 54.79 52.13 1t5x n ASP 150 Cb 0.58 -0.50 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 1t5x n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1t5x s LYS 151 N -1.41 1.87 -0.04 0.11 1.02 -1.26 -4.07 119.74 115.96 1t5x s LYS 151 Ca 0.46 -1.09 -0.23 0.00 0.02 0.00 0.00 55.97 55.13 1t5x s LYS 151 Cb 0.27 -2.08 -0.24 0.00 -0.52 0.00 0.00 37.83 35.26 1t5x s LYS 151 CO 0.27 0.51 1.03 0.87 -0.92 0.00 0.00 175.35 177.12 1t5x h LYS 152 N 4.46 0.25 -4.75 1.68 1.57 -1.19 -3.41 116.57 115.19 1t5x h LYS 152 Ca -0.48 -0.28 -0.69 0.00 -1.87 0.00 0.00 60.65 57.33 1t5x h LYS 152 Cb 1.15 0.08 -0.28 0.00 0.08 0.00 0.00 32.23 33.27 1t5x h LYS 152 CO 0.45 1.01 -0.63 0.45 -0.57 0.00 0.00 179.45 180.16 1t5x s SER 153 N -6.50 5.14 0.10 0.86 0.15 -1.26 -0.70 113.70 111.49 1t5x s SER 153 Ca -0.15 -0.94 0.10 0.00 0.70 0.00 0.00 55.95 55.65 1t5x s SER 153 Cb 0.02 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.44 1t5x s SER 153 CO 0.77 -0.25 -0.25 0.54 1.20 0.00 0.00 173.24 175.25 1t5x s VAL 154 N 1.43 2.02 0.39 4.45 0.11 0.04 -4.88 120.40 123.96 1t5x s VAL 154 Ca 0.00 -1.57 -0.25 0.00 -2.93 0.00 0.00 61.98 57.23 1t5x s VAL 154 Cb -0.18 -1.79 -0.09 0.00 -1.53 0.00 0.00 36.38 32.80 1t5x s VAL 154 CO 0.02 0.11 1.18 0.42 -3.33 0.00 0.00 175.10 173.50 1t5x s THR 155 N -1.01 3.12 0.28 5.04 -4.23 -1.26 -0.28 115.64 117.29 1t5x s THR 155 Ca 0.11 0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1t5x s THR 155 Cb -0.10 -3.54 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1t5x s THR 155 CO 0.04 0.10 1.89 0.00 -0.54 0.00 0.00 174.62 176.11 1t5x h ALA 156 N 2.70 1.43 -0.39 3.99 0.00 -1.12 -2.18 119.26 123.70 1t5x h ALA 156 Ca -0.49 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1t5x h ALA 156 Cb 1.23 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1t5x h ALA 156 CO 0.63 0.42 -0.17 0.37 0.00 0.00 0.00 179.25 180.50 1t5x h GLN 157 N 1.14 -0.10 -0.37 0.00 4.15 -1.91 0.37 115.11 118.40 1t5x h GLN 157 Ca 0.42 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.91 1t5x h GLN 157 Cb 0.17 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1t5x h GLN 157 CO -0.17 -0.06 0.03 1.49 -1.93 0.00 0.00 178.83 178.19 1t5x h GLU 158 N -0.10 0.14 -0.30 1.69 4.81 -1.64 -0.26 114.58 118.92 1t5x h GLU 158 Ca 0.19 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1t5x h GLU 158 Cb 0.40 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1t5x h GLU 158 CO -0.46 0.09 0.10 -0.07 -0.73 0.00 0.00 179.01 177.95 1t5x h LEU 159 N 0.14 0.44 -0.05 1.64 3.38 -1.23 -2.13 115.31 117.49 1t5x h LEU 159 Ca 0.18 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1t5x h LEU 159 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1t5x h LEU 159 CO -0.27 0.51 -0.18 -0.78 0.09 0.00 0.00 178.44 177.82 1t5x h ASP 160 N 0.34 -0.53 -0.73 -0.43 -0.00 0.15 -0.20 116.42 115.01 1t5x h ASP 160 Ca 0.10 0.08 0.09 0.00 -0.00 0.00 0.00 57.03 57.30 1t5x h ASP 160 Cb 0.23 0.23 -0.07 0.00 -0.00 0.00 0.00 39.33 39.72 1t5x h ASP 160 CO -0.00 -0.23 0.38 0.40 -0.00 0.00 0.00 179.24 179.78 1t5x h ILE 161 N -0.26 0.87 -0.60 2.25 2.04 -0.96 -0.52 117.51 120.34 1t5x h ILE 161 Ca 0.07 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1t5x h ILE 161 Cb 0.36 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1t5x h ILE 161 CO -0.21 0.12 0.09 0.11 0.00 0.00 0.00 178.15 178.26 1t5x h LYS 162 N 0.65 0.97 -0.22 2.37 1.57 -0.72 -0.55 116.57 120.64 1t5x h LYS 162 Ca 0.35 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1t5x h LYS 162 Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1t5x h LYS 162 CO -0.25 0.90 0.02 0.00 -0.57 0.00 0.00 179.45 179.54 1t5x h ALA 163 N 1.18 0.29 -0.23 3.86 0.00 -0.11 -2.64 119.26 121.61 1t5x h ALA 163 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1t5x h ALA 163 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1t5x h ALA 163 CO 0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 1t5x h ARG 164 N 0.16 0.43 -0.74 0.00 3.08 -0.95 -1.49 114.38 114.87 1t5x h ARG 164 Ca 0.06 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1t5x h ARG 164 Cb 0.35 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1t5x h ARG 164 CO 0.01 0.66 0.44 -0.97 -1.07 0.00 0.00 179.97 179.04 1t5x h ASN 165 N 0.38 0.89 -0.05 7.04 -1.24 -1.01 -1.08 115.58 120.50 1t5x h ASN 165 Ca 0.06 -0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1t5x h ASN 165 Cb 0.66 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 1t5x h ASN 165 CO 0.05 0.69 0.01 0.15 -1.29 0.00 0.00 177.43 177.04 1t5x h PHE 166 N 1.01 0.08 0.00 0.67 3.57 -1.08 -3.07 116.94 118.12 1t5x h PHE 166 Ca 0.26 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1t5x h PHE 166 Cb -0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1t5x h PHE 166 CO -0.01 0.26 0.00 -0.07 -2.23 0.00 0.00 178.31 176.26 1t5x h LEU 167 N -0.13 0.00 -0.17 0.59 3.38 -1.00 -1.73 115.31 116.24 1t5x h LEU 167 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1t5x h LEU 167 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1t5x h LEU 167 CO -0.00 0.00 -0.91 0.40 0.09 0.00 0.00 178.44 178.02 1t5x h ILE 168 N 0.00 1.36 0.20 1.22 2.04 -1.11 -0.56 117.51 120.66 1t5x h ILE 168 Ca 0.00 -2.31 -0.26 0.00 1.00 0.00 0.00 64.86 63.28 1t5x h ILE 168 Cb 0.32 2.32 0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1t5x h ILE 168 CO 0.00 0.70 -1.16 0.78 0.00 0.00 0.00 178.15 178.47 1t5x h ASN 169 N 0.30 0.68 0.73 1.72 2.35 -1.43 -2.43 115.58 117.50 1t5x h ASN 169 Ca -0.08 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.74 1t5x h ASN 169 Cb 1.54 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1t5x h ASN 169 CO 0.17 1.56 -1.17 0.29 -1.65 0.00 0.00 177.43 176.62 1t5x n LYS 170 N -3.92 0.56 0.00 0.81 4.01 -0.69 -4.50 118.16 114.44 1t5x n LYS 170 Ca -0.15 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 1t5x n LYS 170 Cb 0.97 -1.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 1t5x n LYS 170 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1t5x n LYS 171 N -2.48 0.53 -3.86 1.97 4.76 -0.30 -5.01 118.16 113.76 1t5x n LYS 171 Ca -0.00 -0.63 -0.28 0.00 -2.87 0.00 0.00 58.31 54.53 1t5x n LYS 171 Cb 0.53 -0.74 0.03 0.00 -1.84 0.00 0.00 35.03 33.01 1t5x n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1t5x n ASN 172 N -0.13 -3.93 -0.29 4.39 3.02 -0.83 -4.84 115.26 112.66 1t5x n ASN 172 Ca 0.00 -0.79 0.07 0.00 -0.03 0.00 0.00 54.58 53.84 1t5x n ASN 172 Cb 0.26 -3.94 0.18 0.00 -0.61 0.00 0.00 39.78 35.67 1t5x n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1t5x h LEU 173 N -2.06 -0.46 -8.26 3.41 5.85 -1.47 -3.39 115.31 108.94 1t5x h LEU 173 Ca -0.59 0.23 -0.55 0.00 0.84 0.00 0.00 57.88 57.81 1t5x h LEU 173 Cb 1.37 0.41 -0.30 0.00 0.37 0.00 0.00 40.66 42.51 1t5x h LEU 173 CO 0.64 -0.24 -0.83 -0.31 -0.34 0.00 0.00 178.44 177.36 1t5x s TYR 174 N -6.11 1.60 0.36 1.25 4.12 -1.26 -4.44 117.35 112.87 1t5x s TYR 174 Ca -0.14 -0.38 0.06 0.00 0.02 0.00 0.00 57.07 56.63 1t5x s TYR 174 Cb 0.24 -1.06 -0.07 0.00 -1.52 0.00 0.00 41.96 39.55 1t5x s TYR 174 CO 0.76 -0.09 0.01 -1.21 0.02 0.00 0.00 175.55 175.04 1t5x s GLU 175 N -0.17 1.80 0.19 -0.62 2.02 -1.01 -4.94 118.70 115.97 1t5x s GLU 175 Ca 0.01 -2.00 -0.13 0.00 0.02 0.00 0.00 54.97 52.88 1t5x s GLU 175 Cb -0.09 -1.33 0.19 0.00 0.10 0.00 0.00 34.13 33.01 1t5x s GLU 175 CO 0.01 -0.07 1.71 0.35 0.02 0.00 0.00 175.26 177.27 1t5x h PHE 176 N 1.96 0.13 -3.33 1.61 3.57 -1.94 -3.07 116.94 115.87 1t5x h PHE 176 Ca -0.42 0.03 -0.66 0.00 3.53 0.00 0.00 57.97 60.45 1t5x h PHE 176 Cb 1.24 0.02 -0.29 0.00 2.79 0.00 0.00 35.95 39.71 1t5x h PHE 176 CO 0.67 -0.02 -0.75 -0.80 -2.23 0.00 0.00 178.31 175.18 1t5x s ASN 177 N -5.30 4.09 0.42 0.41 -0.87 -1.26 -1.17 114.94 111.26 1t5x s ASN 177 Ca -0.13 -0.42 0.00 0.00 -1.57 0.00 0.00 52.86 50.73 1t5x s ASN 177 Cb 0.16 -1.68 0.00 0.00 -0.02 0.00 0.00 41.25 39.70 1t5x s ASN 177 CO 0.73 0.00 0.00 -0.24 -2.57 0.00 0.00 177.10 175.02 1t5x n SER 178 N 4.63 -3.06 -4.17 -1.22 2.88 -1.26 -4.92 113.62 106.50 1t5x n SER 178 Ca -0.19 0.13 -0.12 0.00 -1.33 0.00 0.00 58.87 57.37 1t5x n SER 178 Cb 0.51 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 1t5x n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1t5x s SER 179 N -3.99 1.22 0.52 -3.46 0.15 -1.26 -2.39 113.70 104.49 1t5x s SER 179 Ca 0.00 -0.94 0.31 0.00 0.70 0.00 0.00 55.95 56.01 1t5x s SER 179 Cb 0.00 0.07 1.29 0.00 -1.71 0.00 0.00 66.02 65.66 1t5x s SER 179 CO 0.00 -0.40 1.96 -0.65 1.20 0.00 0.00 173.24 175.35 1t5x h PRO 180 N 3.16 0.00 -6.16 5.44 0.11 -1.78 -3.44 132.00 129.33 1t5x h PRO 180 Ca -0.36 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.17 1t5x h PRO 180 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 1t5x h PRO 180 CO 0.61 0.08 -0.55 0.71 -0.21 0.00 0.00 178.00 178.63 1t5x s TYR 181 N -3.73 3.23 -0.13 0.65 1.51 -1.26 -4.61 117.35 113.00 1t5x s TYR 181 Ca 0.00 0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 1t5x s TYR 181 Cb 0.10 -1.57 -0.25 0.00 -0.11 0.00 0.00 41.96 40.13 1t5x s TYR 181 CO 0.57 0.52 0.36 1.49 -1.11 0.00 0.00 175.55 177.39 1t5x h GLU 182 N 2.59 0.22 -4.43 -0.62 4.57 -0.22 -3.42 114.58 113.28 1t5x h GLU 182 Ca -0.47 -0.38 -0.18 0.00 -1.18 0.00 0.00 59.36 57.14 1t5x h GLU 182 Cb 1.19 0.14 -0.15 0.00 -0.16 0.00 0.00 28.75 29.77 1t5x h GLU 182 CO 0.65 1.18 -0.65 0.95 -1.18 0.00 0.00 179.01 179.96 1t5x s THR 183 N -2.52 0.16 -0.29 0.32 -4.23 -1.14 -0.74 115.64 107.20 1t5x s THR 183 Ca -0.23 -1.90 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 1t5x s THR 183 Cb 0.06 -1.98 0.17 0.00 1.34 0.00 0.00 72.50 72.09 1t5x s THR 183 CO 0.74 -0.53 1.30 -0.83 -0.54 0.00 0.00 174.62 174.76 1t5x s GLY 184 N -3.04 0.24 -0.01 3.99 0.00 -1.26 -2.21 107.32 105.04 1t5x s GLY 184 Ca 0.22 3.33 -0.04 0.00 0.00 0.00 0.00 44.72 48.23 1t5x s GLY 184 CO 0.00 2.03 0.08 -2.52 0.00 0.00 0.00 173.10 172.70 1t5x s TYR 185 N 0.24 0.05 -0.20 1.90 -0.85 -0.70 -0.47 117.35 117.32 1t5x s TYR 185 Ca 0.04 -0.10 -0.05 0.00 -0.52 0.00 0.00 57.07 56.44 1t5x s TYR 185 Cb -0.05 -0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 1t5x s TYR 185 CO -0.13 -0.18 0.01 -1.50 -1.52 0.00 0.00 175.55 172.23 1t5x s ILE 186 N -0.91 4.04 -0.10 -3.49 2.07 -0.56 -1.27 121.20 120.98 1t5x s ILE 186 Ca -0.10 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 1t5x s ILE 186 Cb -0.06 -2.83 -0.02 0.00 0.13 0.00 0.00 42.46 39.68 1t5x s ILE 186 CO 0.00 0.43 -0.10 -0.75 -1.91 0.00 0.00 174.94 172.61 1t5x s LYS 187 N 0.94 3.06 -0.15 3.50 2.20 0.10 -1.68 119.74 127.71 1t5x s LYS 187 Ca 0.02 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.97 1t5x s LYS 187 Cb -0.14 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1t5x s LYS 187 CO 0.02 0.43 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.34 1t5x s PHE 188 N -0.21 3.02 -0.22 4.03 0.40 0.05 -0.85 117.98 124.21 1t5x s PHE 188 Ca 0.02 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1t5x s PHE 188 Cb -0.13 -1.94 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1t5x s PHE 188 CO 0.03 -0.01 -0.09 0.42 0.70 0.00 0.00 175.22 176.27 1t5x s ILE 189 N 0.29 2.88 0.22 0.64 1.09 0.35 -2.45 121.20 124.22 1t5x s ILE 189 Ca -0.03 -0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 58.67 1t5x s ILE 189 Cb -0.14 -2.35 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 1t5x s ILE 189 CO 0.03 0.36 0.47 -1.61 -0.10 0.00 0.00 174.94 174.09 1t5x s GLU 190 N 1.38 3.63 0.45 2.79 2.02 0.45 -0.80 118.70 128.61 1t5x s GLU 190 Ca 0.03 -0.05 0.28 0.00 0.02 0.00 0.00 54.97 55.26 1t5x s GLU 190 Cb -0.15 -2.74 1.55 0.00 0.10 0.00 0.00 34.13 32.88 1t5x s GLU 190 CO -0.06 0.34 1.86 -2.95 0.02 0.00 0.00 175.26 174.47 1t5x h ASN 191 N 2.21 0.00 -0.10 -0.19 -1.07 -1.88 0.34 115.58 114.89 1t5x h ASN 191 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1t5x h ASN 191 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 1t5x h ASN 191 CO 0.69 0.00 0.00 -0.46 0.07 0.00 0.00 177.43 177.73 1t5x n ASN 192 N -2.53 1.61 0.00 6.14 6.94 -1.26 -4.91 115.26 121.25 1t5x n ASN 192 Ca -0.02 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 1t5x n ASN 192 Cb 0.09 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1t5x n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t5x n GLY 193 N 1.15 0.95 3.77 4.83 0.00 0.12 -5.05 105.19 110.96 1t5x n GLY 193 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1t5x n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t5x s ASN 194 N -2.98 7.31 0.05 1.61 2.47 -1.25 -4.80 114.94 117.35 1t5x s ASN 194 Ca 0.00 1.97 0.01 0.00 0.42 0.00 0.00 52.86 55.26 1t5x s ASN 194 Cb 0.00 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 1t5x s ASN 194 CO 0.00 -0.09 -0.05 0.42 -3.72 0.00 0.00 177.10 173.65 1t5x s THR 195 N -1.43 0.40 0.17 -5.21 -4.23 -1.26 -0.42 115.64 103.66 1t5x s THR 195 Ca 0.48 -1.40 -0.22 0.00 -1.18 0.00 0.00 61.69 59.37 1t5x s THR 195 Cb -0.23 -0.97 0.06 0.00 1.34 0.00 0.00 72.50 72.70 1t5x s THR 195 CO 0.29 -0.66 0.60 0.72 -0.54 0.00 0.00 174.62 175.03 1t5x s PHE 196 N -2.48 -0.46 0.12 3.99 -0.12 -1.03 -2.15 117.98 115.86 1t5x s PHE 196 Ca -0.03 0.21 -0.08 0.00 -0.05 0.00 0.00 56.93 56.97 1t5x s PHE 196 Cb -0.03 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1t5x s PHE 196 CO -0.03 -0.89 0.23 1.67 -0.05 0.00 0.00 175.22 176.15 1t5x s TRP 197 N -3.78 0.29 -0.01 3.49 1.48 -1.26 -0.77 118.94 118.39 1t5x s TRP 197 Ca 0.03 -0.69 0.05 0.00 -1.06 0.00 0.00 56.10 54.43 1t5x s TRP 197 Cb -0.01 -0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.21 1t5x s TRP 197 CO -0.10 -0.62 -0.17 0.71 -4.06 0.00 0.00 176.95 172.70 1t5x s TYR 198 N -3.92 1.53 -0.01 1.66 4.12 -0.68 -4.97 117.35 115.09 1t5x s TYR 198 Ca 0.11 -0.30 -0.30 0.00 0.02 0.00 0.00 57.07 56.60 1t5x s TYR 198 Cb 0.04 -0.97 -0.03 0.00 -1.52 0.00 0.00 41.96 39.48 1t5x s TYR 198 CO -0.05 -0.01 1.01 0.34 0.02 0.00 0.00 175.55 176.85 1t5x s ASP 199 N -0.51 7.32 0.00 2.29 -1.08 -1.26 -1.50 116.67 121.93 1t5x s ASP 199 Ca 0.06 1.68 0.27 0.00 -0.52 0.00 0.00 52.55 54.05 1t5x s ASP 199 Cb -0.07 -2.57 0.94 0.00 -1.46 0.00 0.00 42.92 39.76 1t5x s ASP 199 CO -0.00 -0.31 1.68 0.23 0.52 0.00 0.00 175.17 177.28 1t5x n MET 200 N 4.10 1.48 -4.15 4.34 2.81 0.38 -4.92 117.12 121.15 1t5x n MET 200 Ca 0.07 -0.88 -0.29 0.00 -1.81 0.00 0.00 57.70 54.78 1t5x n MET 200 Cb 0.50 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.45 1t5x n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1t5x s MET 201 N -2.13 2.48 0.57 0.03 -1.94 -1.26 -4.97 119.30 112.09 1t5x s MET 201 Ca 0.34 -0.92 -0.19 0.00 -1.71 0.00 0.00 55.69 53.22 1t5x s MET 201 Cb 0.21 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 1t5x s MET 201 CO 0.38 0.52 1.15 -1.25 -0.01 0.00 0.00 175.02 175.81 1t5x s PRO 202 N -2.46 3.15 0.75 2.03 0.04 -1.26 -4.82 135.00 132.44 1t5x s PRO 202 Ca 0.26 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 1t5x s PRO 202 Cb -0.11 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.51 1t5x s PRO 202 CO 0.18 -1.02 1.22 0.00 0.04 0.00 0.00 177.00 177.42 1t5x s ALA 203 N -1.78 2.03 0.57 8.56 0.00 -1.26 -4.66 121.76 125.22 1t5x s ALA 203 Ca 0.74 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 53.40 1t5x s ALA 203 Cb -0.26 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1t5x s ALA 203 CO 0.31 -2.02 1.28 -1.25 0.00 0.00 0.00 175.76 174.08 1t5x s PRO 204 N -3.95 3.05 0.00 0.00 0.04 -1.26 -4.77 135.00 128.11 1t5x s PRO 204 Ca 0.75 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1t5x s PRO 204 Cb -0.30 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1t5x s PRO 204 CO 0.47 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1t5x n GLY 205 N 0.67 0.89 0.44 0.56 0.00 -0.72 -4.90 105.19 102.13 1t5x n GLY 205 Ca 0.12 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 44.23 1t5x n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t5x n ASP 206 N 1.28 2.07 -3.85 1.61 5.75 -1.26 0.96 116.55 123.10 1t5x n ASP 206 Ca 0.00 -1.55 -0.16 0.00 -0.01 0.00 0.00 54.79 53.07 1t5x n ASP 206 Cb 0.00 -0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 39.89 1t5x n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1t5x s LYS 207 N -0.88 0.24 -0.33 0.11 1.02 -1.26 -3.64 119.74 115.00 1t5x s LYS 207 Ca 0.14 0.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.01 1t5x s LYS 207 Cb 0.09 -0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 1t5x s LYS 207 CO 0.13 -0.06 0.25 0.12 -0.92 0.00 0.00 175.35 174.87 1t5x s PHE 208 N 0.58 3.23 -0.82 3.18 5.36 -1.26 -4.95 117.98 123.29 1t5x s PHE 208 Ca -0.06 -0.15 -0.20 0.00 -0.96 0.00 0.00 56.93 55.57 1t5x s PHE 208 Cb -0.08 -2.50 0.11 0.00 -0.34 0.00 0.00 43.02 40.21 1t5x s PHE 208 CO -0.01 -0.35 1.03 0.34 -1.46 0.00 0.00 175.22 174.77 1t5x s ASP 209 N 1.73 6.47 0.19 6.13 -1.08 -1.26 -4.90 116.67 123.94 1t5x s ASP 209 Ca 0.07 -1.72 -0.13 0.00 -0.52 0.00 0.00 52.55 50.25 1t5x s ASP 209 Cb -0.17 -2.39 0.19 0.00 -1.46 0.00 0.00 42.92 39.09 1t5x s ASP 209 CO 0.11 -1.15 1.73 1.56 0.52 0.00 0.00 175.17 177.93 1t5x h GLN 210 N 9.03 0.27 -0.28 4.34 4.20 -1.93 -1.85 115.11 128.90 1t5x h GLN 210 Ca -0.01 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1t5x h GLN 210 Cb 1.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1t5x h GLN 210 CO 1.12 0.18 0.13 1.03 -0.67 0.00 0.00 178.83 180.61 1t5x h SER 211 N 0.28 0.19 -0.93 1.46 0.87 -1.90 -1.75 113.55 111.76 1t5x h SER 211 Ca 0.25 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1t5x h SER 211 Cb 0.32 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 1t5x h SER 211 CO -0.30 0.14 0.54 0.50 -0.53 0.00 0.00 176.83 177.18 1t5x h LYS 212 N 0.28 1.27 -0.10 2.24 1.63 -1.87 -2.67 116.57 117.36 1t5x h LYS 212 Ca 0.12 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1t5x h LYS 212 Cb 0.05 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 31.41 1t5x h LYS 212 CO -0.09 0.91 0.03 -0.92 -3.45 0.00 0.00 179.45 175.93 1t5x h TYR 213 N 1.29 0.16 0.00 1.91 3.20 -0.98 -2.90 116.97 119.65 1t5x h TYR 213 Ca 0.33 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1t5x h TYR 213 Cb -0.02 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1t5x h TYR 213 CO 0.01 0.32 0.00 -0.07 -1.64 0.00 0.00 178.16 176.78 1t5x h LEU 214 N -0.04 0.00 -2.10 2.82 3.38 -1.21 -2.94 115.31 115.22 1t5x h LEU 214 Ca 0.03 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1t5x h LEU 214 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1t5x h LEU 214 CO -0.00 0.00 0.26 -0.03 0.09 0.00 0.00 178.44 178.76 1t5x h MET 215 N 0.00 0.00 -0.22 1.13 4.05 -1.26 -1.71 114.93 116.92 1t5x h MET 215 Ca 0.00 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1t5x h MET 215 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1t5x h MET 215 CO 0.00 0.00 0.25 0.00 0.23 0.00 0.00 176.91 177.39 1t5x h MET 216 N 0.00 0.00 0.00 0.39 -0.00 -1.71 0.23 114.93 113.84 1t5x h MET 216 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.84 1t5x h MET 216 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1t5x h MET 216 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 177.57 1t5x n TYR 217 N -3.78 0.00 -0.28 -0.10 0.53 -0.64 -4.14 117.16 108.75 1t5x n TYR 217 Ca 0.03 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.94 1t5x n TYR 217 Cb 0.38 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 38.81 1t5x n TYR 217 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1t5x h ASN 218 N 0.00 -0.64 0.16 7.72 -0.00 -0.73 -1.85 115.58 120.23 1t5x h ASN 218 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 1t5x h ASN 218 Cb 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 1t5x h ASN 218 CO 0.00 -0.25 0.00 -0.90 -0.00 0.00 0.00 177.43 176.28 1t5x n ASP 219 N -5.48 0.37 -3.71 1.15 5.68 -1.26 -1.84 116.55 111.46 1t5x n ASP 219 Ca 0.12 0.65 -0.25 0.00 -0.50 0.00 0.00 54.79 54.81 1t5x n ASP 219 Cb 0.44 -0.71 0.06 0.00 -1.14 0.00 0.00 41.12 39.77 1t5x n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1t5x n ASN 220 N -1.97 -4.99 -4.68 -1.12 5.15 -0.70 -4.87 115.26 102.09 1t5x n ASN 220 Ca -0.00 -0.66 -0.42 0.00 -0.60 0.00 0.00 54.58 52.90 1t5x n ASN 220 Cb 0.07 -4.54 -0.03 0.00 -0.53 0.00 0.00 39.78 34.75 1t5x n ASN 220 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1t5x s LYS 221 N -6.31 4.18 0.20 1.20 2.36 -1.26 -4.90 119.74 115.20 1t5x s LYS 221 Ca 0.51 2.36 0.10 0.00 -2.55 0.00 0.00 55.97 56.39 1t5x s LYS 221 Cb -0.24 -3.79 -0.04 0.00 -1.05 0.00 0.00 37.83 32.70 1t5x s LYS 221 CO 0.77 -0.81 -0.12 0.95 1.55 0.00 0.00 175.35 177.70 1t5x s THR 222 N 3.31 3.00 0.14 3.43 -4.23 -1.26 -0.48 115.64 119.55 1t5x s THR 222 Ca 0.77 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1t5x s THR 222 Cb -0.39 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1t5x s THR 222 CO 0.33 -0.17 0.06 0.68 -0.54 0.00 0.00 174.62 174.98 1t5x s VAL 223 N -1.85 0.15 -0.53 2.29 -7.23 0.61 -4.87 120.40 108.96 1t5x s VAL 223 Ca 0.25 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.23 1t5x s VAL 223 Cb -0.08 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1t5x s VAL 223 CO 0.15 -0.44 1.07 -0.62 -0.31 0.00 0.00 175.10 174.94 1t5x s ASP 224 N -3.07 6.47 0.27 4.85 2.15 -1.26 -0.78 116.67 125.30 1t5x s ASP 224 Ca 0.25 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1t5x s ASP 224 Cb 0.07 -2.50 0.56 0.00 -0.30 0.00 0.00 42.92 40.75 1t5x s ASP 224 CO 0.02 -1.29 1.78 0.77 -0.17 0.00 0.00 175.17 176.29 1t5x h SER 225 N 9.33 0.64 0.91 -0.34 4.64 -1.17 -0.61 113.55 126.95 1t5x h SER 225 Ca -0.25 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1t5x h SER 225 Cb 1.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1t5x h SER 225 CO 1.12 0.28 0.00 0.07 -0.87 0.00 0.00 176.83 177.43 1t5x h LYS 226 N 0.71 0.00 0.00 4.77 2.10 -1.88 -3.34 116.57 118.93 1t5x h LYS 226 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1t5x h LYS 226 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1t5x h LYS 226 CO -0.34 0.00 -0.41 -1.13 -2.00 0.00 0.00 179.45 175.56 1t5x n SER 227 N -2.76 2.07 -4.77 7.07 3.41 -0.90 -5.06 113.62 112.67 1t5x n SER 227 Ca 0.01 -0.23 -0.35 0.00 -0.26 0.00 0.00 58.87 58.04 1t5x n SER 227 Cb 0.28 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1t5x n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t5x s VAL 228 N -1.29 3.16 0.05 -3.33 0.11 -0.29 -4.35 120.40 114.47 1t5x s VAL 228 Ca 0.00 0.74 0.07 0.00 -2.93 0.00 0.00 61.98 59.86 1t5x s VAL 228 Cb 0.00 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 1t5x s VAL 228 CO 0.00 -0.14 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.88 1t5x s LYS 229 N -3.22 1.41 -0.01 1.54 1.02 0.02 -4.51 119.74 115.98 1t5x s LYS 229 Ca 0.72 -0.96 0.08 0.00 0.02 0.00 0.00 55.97 55.83 1t5x s LYS 229 Cb -0.24 -1.53 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 1t5x s LYS 229 CO 0.28 0.39 -0.25 0.42 -0.92 0.00 0.00 175.35 175.26 1t5x s ILE 230 N -0.82 2.02 -0.06 2.17 1.01 -0.55 -0.49 121.20 124.48 1t5x s ILE 230 Ca 0.08 -1.14 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 1t5x s ILE 230 Cb -0.09 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.72 1t5x s ILE 230 CO 0.02 0.52 -0.02 -1.61 0.00 0.00 0.00 174.94 173.85 1t5x s GLU 231 N -0.73 0.76 -0.32 2.79 2.02 -0.03 -1.43 118.70 121.77 1t5x s GLU 231 Ca 0.10 -0.00 -0.09 0.00 0.02 0.00 0.00 54.97 55.00 1t5x s GLU 231 Cb -0.10 -0.97 0.01 0.00 0.10 0.00 0.00 34.13 33.17 1t5x s GLU 231 CO -0.00 -0.22 0.14 0.08 0.02 0.00 0.00 175.26 175.27 1t5x s VAL 232 N 1.56 4.34 -0.31 2.63 1.01 -0.21 0.01 120.40 129.43 1t5x s VAL 232 Ca -0.01 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1t5x s VAL 232 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1t5x s VAL 232 CO -0.04 -0.00 0.14 -1.00 0.00 0.00 0.00 175.10 174.20 1t5x s HIS 233 N 1.55 3.17 0.34 5.22 3.76 -0.40 -0.04 115.29 128.88 1t5x s HIS 233 Ca 0.03 -0.62 0.10 0.00 -0.15 0.00 0.00 55.06 54.42 1t5x s HIS 233 Cb -0.18 -2.34 -0.06 0.00 1.11 0.00 0.00 32.58 31.12 1t5x s HIS 233 CO 0.05 -0.47 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.90 1t5x s LEU 234 N 1.60 2.82 -0.12 0.89 1.43 0.13 -1.73 118.68 123.71 1t5x s LEU 234 Ca 0.04 -1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 51.91 1t5x s LEU 234 Cb -0.17 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 44.94 1t5x s LEU 234 CO 0.06 -0.19 0.37 0.42 0.23 0.00 0.00 176.35 177.24 1t5x s THR 235 N -2.56 0.01 0.39 5.49 -4.23 -0.94 -0.85 115.64 112.95 1t5x s THR 235 Ca 0.33 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 1t5x s THR 235 Cb 0.01 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 1t5x s THR 235 CO 0.17 -0.04 0.62 0.42 -0.54 0.00 0.00 174.62 175.25 1t5x s THR 236 N -0.08 4.87 0.19 3.99 -4.23 -1.26 0.50 115.64 119.62 1t5x s THR 236 Ca -0.02 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 1t5x s THR 236 Cb -0.03 -3.79 0.11 0.00 1.34 0.00 0.00 72.50 70.12 1t5x s THR 236 CO 0.01 -0.58 1.79 0.50 -0.54 0.00 0.00 174.62 175.81 1t5x h LYS 237 N 0.58 0.53 0.00 3.99 3.64 -1.90 -3.34 116.57 120.07 1t5x h LYS 237 Ca -0.49 -0.03 -0.43 0.00 -1.27 0.00 0.00 60.65 58.43 1t5x h LYS 237 Cb 1.22 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 1t5x h LYS 237 CO 0.61 0.35 -2.51 0.27 -2.27 0.00 0.00 179.45 175.89 1t5x n ASN 238 N -4.86 1.97 0.00 4.20 0.23 -1.26 -5.06 115.26 110.47 1t5x n ASN 238 Ca 0.06 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1t5x n ASN 238 Cb 0.16 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.23 1t5x n ASN 238 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94