#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngx s VAL 2 N 0.00 3.18 -0.11 5.09 1.01 -1.20 -4.89 120.40 123.47 1ngx s VAL 2 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 1ngx s VAL 2 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1ngx s VAL 2 CO 0.00 0.01 0.30 -1.10 0.00 0.00 0.00 175.10 174.31 1ngx s GLN 3 N 2.29 4.03 -0.19 2.72 -1.52 -1.26 -1.29 119.66 124.43 1ngx s GLN 3 Ca 0.70 0.14 -0.01 0.00 -1.95 0.00 0.00 55.36 54.25 1ngx s GLN 3 Cb -0.38 -3.33 0.05 0.00 -0.22 0.00 0.00 33.01 29.13 1ngx s GLN 3 CO 0.31 0.45 -0.03 -1.17 -0.25 0.00 0.00 175.29 174.59 1ngx s LEU 4 N -0.19 1.78 0.50 2.90 0.20 0.03 -4.94 118.68 118.96 1ngx s LEU 4 Ca 0.18 -0.85 -0.18 0.00 0.69 0.00 0.00 54.13 53.98 1ngx s LEU 4 Cb -0.14 -0.91 -0.08 0.00 -0.43 0.00 0.00 46.19 44.63 1ngx s LEU 4 CO 0.06 -0.23 0.99 -0.76 -0.29 0.00 0.00 176.35 176.13 1ngx s LEU 5 N 1.62 3.71 0.22 -0.68 1.43 -1.26 -1.57 118.68 122.15 1ngx s LEU 5 Ca -0.02 1.66 -0.32 0.00 -1.03 0.00 0.00 54.13 54.43 1ngx s LEU 5 Cb -0.17 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.39 1ngx s LEU 5 CO -0.07 -0.62 1.35 1.21 0.23 0.00 0.00 176.35 178.45 1ngx n GLU 6 N -1.35 1.82 -0.35 1.70 2.13 -1.13 -0.82 120.64 122.64 1ngx n GLU 6 Ca 0.07 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1ngx n GLU 6 Cb 0.54 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1ngx n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ngx n SER 7 N 2.17 0.00 -2.81 4.31 3.41 -1.25 -4.97 113.62 114.48 1ngx n SER 7 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1ngx n SER 7 Cb 0.30 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.33 1ngx n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngx n GLY 8 N -2.00 -1.17 3.24 5.00 0.00 -0.00 -4.78 105.19 105.48 1ngx n GLY 8 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1ngx n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx s ALA 9 N -3.93 -1.05 0.02 4.61 0.00 -1.26 -1.44 121.76 118.71 1ngx s ALA 9 Ca 0.31 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1ngx s ALA 9 Cb -0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1ngx s ALA 9 CO 0.22 -0.58 -0.05 -1.21 0.00 0.00 0.00 175.76 174.13 1ngx s GLU 10 N 2.20 0.38 -0.12 0.00 0.41 -0.34 -4.93 118.70 116.30 1ngx s GLU 10 Ca -0.04 -0.42 -0.18 0.00 -0.41 0.00 0.00 54.97 53.92 1ngx s GLU 10 Cb -0.11 -0.23 -0.04 0.00 -1.78 0.00 0.00 34.13 31.97 1ngx s GLU 10 CO -0.12 0.05 0.47 -1.17 -0.49 0.00 0.00 175.26 174.00 1ngx s LEU 11 N -0.82 4.27 0.02 1.80 2.96 -1.26 -1.36 118.68 124.29 1ngx s LEU 11 Ca -0.05 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 1ngx s LEU 11 Cb -0.06 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 1ngx s LEU 11 CO -0.00 -0.00 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.22 1ngx s VAL 12 N 0.67 0.93 0.38 1.68 1.01 0.14 -4.95 120.40 120.27 1ngx s VAL 12 Ca 0.26 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1ngx s VAL 12 Cb -0.15 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1ngx s VAL 12 CO 0.10 0.07 1.03 -0.54 0.00 0.00 0.00 175.10 175.76 1ngx s LYS 13 N -0.80 4.25 0.47 2.72 3.01 -1.26 -1.86 119.74 126.27 1ngx s LYS 13 Ca 0.02 1.48 -0.25 0.00 -1.01 0.00 0.00 55.97 56.21 1ngx s LYS 13 Cb -0.06 -2.59 -0.08 0.00 -1.01 0.00 0.00 37.83 34.09 1ngx s LYS 13 CO 0.00 -0.06 1.41 -2.14 0.51 0.00 0.00 175.35 175.08 1ngx s PRO 14 N -2.42 3.57 0.00 -1.68 0.02 -1.26 -1.89 135.00 131.35 1ngx s PRO 14 Ca 0.56 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.96 1ngx s PRO 14 Cb -0.21 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1ngx s PRO 14 CO 0.27 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1ngx n GLY 15 N 0.61 3.03 0.00 0.52 0.00 0.66 -4.89 105.19 105.12 1ngx n GLY 15 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ngx n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx n ALA 16 N -0.88 0.00 -2.22 4.61 0.00 -0.79 -4.27 120.51 116.96 1ngx n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ngx n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ngx n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ngx s SER 17 N -1.00 0.97 0.01 0.00 1.04 -1.26 -1.55 113.70 111.91 1ngx s SER 17 Ca 0.00 -1.19 -0.05 0.00 0.48 0.00 0.00 55.95 55.19 1ngx s SER 17 Cb 0.00 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ngx s SER 17 CO 0.00 -0.62 0.08 0.54 0.98 0.00 0.00 173.24 174.23 1ngx s VAL 18 N -3.76 0.09 -0.17 5.02 0.11 -0.63 -3.03 120.40 118.01 1ngx s VAL 18 Ca 0.25 -0.71 -0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1ngx s VAL 18 Cb 0.07 -0.36 0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1ngx s VAL 18 CO 0.04 -0.39 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.61 1ngx s LYS 19 N -1.31 1.49 0.17 1.54 2.20 -0.41 -0.53 119.74 122.89 1ngx s LYS 19 Ca -0.14 -0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 54.82 1ngx s LYS 19 Cb -0.08 -2.07 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 1ngx s LYS 19 CO 0.01 -0.44 0.46 -0.51 -0.36 0.00 0.00 175.35 174.50 1ngx s LEU 20 N 1.60 4.24 0.16 5.43 1.02 0.06 -0.79 118.68 130.41 1ngx s LEU 20 Ca 0.00 0.78 0.09 0.00 0.02 0.00 0.00 54.13 55.02 1ngx s LEU 20 Cb -0.15 -3.41 -0.04 0.00 0.02 0.00 0.00 46.19 42.60 1ngx s LEU 20 CO -0.08 0.02 -0.20 -0.94 0.02 0.00 0.00 176.35 175.17 1ngx s SER 21 N -2.27 2.81 -0.24 2.29 1.04 -0.61 -1.09 113.70 115.64 1ngx s SER 21 Ca 0.42 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 1ngx s SER 21 Cb -0.12 -0.17 0.12 0.00 0.10 0.00 0.00 66.02 65.95 1ngx s SER 21 CO 0.22 0.02 0.45 0.00 0.98 0.00 0.00 173.24 174.91 1ngx s LYS 23 N 2.65 4.78 0.70 0.00 2.20 -1.26 -0.63 119.74 128.17 1ngx s LYS 23 Ca 0.05 1.46 -0.12 0.00 -0.36 0.00 0.00 55.97 57.01 1ngx s LYS 23 Cb -0.13 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1ngx s LYS 23 CO -0.15 0.39 1.07 0.00 -0.36 0.00 0.00 175.35 176.29 1ngx s ALA 24 N -0.67 2.58 0.42 3.13 0.00 -0.59 -4.93 121.76 121.70 1ngx s ALA 24 Ca 0.43 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.69 1ngx s ALA 24 Cb -0.25 -3.21 0.90 0.00 0.00 0.00 0.00 23.12 20.56 1ngx s ALA 24 CO 0.31 -1.29 2.01 0.66 0.00 0.00 0.00 175.76 177.45 1ngx h SER 25 N -0.60 0.28 0.00 0.00 4.64 -1.96 -3.46 113.55 112.44 1ngx h SER 25 Ca -0.44 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ngx h SER 25 Cb 1.22 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ngx h SER 25 CO 0.55 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1ngx n GLY 26 N -1.22 0.26 3.78 -0.77 0.00 -1.26 -5.07 105.19 100.90 1ngx n GLY 26 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ngx n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ngx s TYR 27 N -2.00 3.03 -0.14 1.61 1.51 -1.26 -4.99 117.35 115.10 1ngx s TYR 27 Ca 0.00 1.58 -0.28 0.00 -1.01 0.00 0.00 57.07 57.35 1ngx s TYR 27 Cb 0.00 -3.27 -0.01 0.00 -0.11 0.00 0.00 41.96 38.57 1ngx s TYR 27 CO 0.00 -1.14 0.97 0.99 -1.11 0.00 0.00 175.55 175.27 1ngx s THR 28 N -1.61 4.79 0.05 -0.71 2.01 -1.26 -5.03 115.64 113.88 1ngx s THR 28 Ca 0.62 1.95 -0.10 0.00 0.31 0.00 0.00 61.69 64.46 1ngx s THR 28 Cb -0.25 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 67.99 1ngx s THR 28 CO 0.31 -0.02 0.22 -0.36 -0.69 0.00 0.00 174.62 174.08 1ngx s PHE 29 N 2.26 0.03 0.04 4.92 0.08 -1.26 -5.06 117.98 118.98 1ngx s PHE 29 Ca 0.45 -0.26 -0.26 0.00 0.12 0.00 0.00 56.93 56.98 1ngx s PHE 29 Cb -0.17 0.00 -0.17 0.00 -0.57 0.00 0.00 43.02 42.11 1ngx s PHE 29 CO 0.14 -0.47 1.47 1.15 -0.10 0.00 0.00 175.22 177.41 1ngx h THR 30 N 3.28 0.82 -3.32 0.64 2.02 -2.05 -3.44 112.91 110.86 1ngx h THR 30 Ca -0.32 -0.38 -0.61 0.00 0.77 0.00 0.00 66.41 65.86 1ngx h THR 30 Cb 1.20 1.04 -0.19 0.00 -1.74 0.00 0.00 68.15 68.46 1ngx h THR 30 CO 0.49 0.08 -0.81 -0.44 0.37 0.00 0.00 175.52 175.21 1ngx s SER 31 N -5.07 3.13 -0.39 4.18 0.01 -1.26 -4.86 113.70 109.44 1ngx s SER 31 Ca -0.15 -0.85 0.11 0.00 1.31 0.00 0.00 55.95 56.38 1ngx s SER 31 Cb 0.03 -0.21 0.35 0.00 0.21 0.00 0.00 66.02 66.40 1ngx s SER 31 CO 0.61 0.07 0.82 0.00 0.41 0.00 0.00 173.24 175.16 1ngx n TYR 32 N 0.37 -0.42 -1.67 2.43 9.36 -1.26 -5.05 117.16 120.91 1ngx n TYR 32 Ca -0.14 -3.42 -0.45 0.00 3.32 0.00 0.00 57.90 57.22 1ngx n TYR 32 Cb 0.56 0.02 -0.04 0.00 -0.63 0.00 0.00 39.34 39.25 1ngx n TYR 32 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ngx n TRP 33 N 0.27 2.45 -4.32 2.98 7.02 -1.26 -4.05 117.44 120.53 1ngx n TRP 33 Ca 0.20 -0.21 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 1ngx n TRP 33 Cb 0.68 -2.74 -0.14 0.00 -2.42 0.00 0.00 31.31 26.69 1ngx n TRP 33 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1ngx s MET 34 N 4.13 3.44 0.11 -0.99 -1.94 0.18 -4.36 119.30 119.87 1ngx s MET 34 Ca 0.90 -0.62 0.02 0.00 -1.71 0.00 0.00 55.69 54.28 1ngx s MET 34 Cb -0.55 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1ngx s MET 34 CO 0.46 0.04 0.20 -1.01 -0.01 0.00 0.00 175.02 174.70 1ngx s HIS 35 N 0.84 3.40 -0.11 -0.03 3.76 -1.24 -0.83 115.29 121.08 1ngx s HIS 35 Ca -0.02 0.14 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1ngx s HIS 35 Cb -0.15 -1.67 -0.00 0.00 1.11 0.00 0.00 32.58 31.87 1ngx s HIS 35 CO 0.01 0.54 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.65 1ngx s TRP 36 N -1.61 2.63 0.02 1.40 0.52 -0.09 -0.50 118.94 121.31 1ngx s TRP 36 Ca 0.33 -1.00 0.06 0.00 0.02 0.00 0.00 56.10 55.51 1ngx s TRP 36 Cb -0.12 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 1ngx s TRP 36 CO 0.27 -0.40 -0.18 0.08 0.02 0.00 0.00 176.95 176.74 1ngx s VAL 37 N 0.41 1.40 -0.08 4.03 1.01 0.15 -0.99 120.40 126.33 1ngx s VAL 37 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1ngx s VAL 37 Cb -0.17 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1ngx s VAL 37 CO 0.07 0.22 -0.07 -0.75 0.00 0.00 0.00 175.10 174.56 1ngx s LYS 38 N -0.88 2.90 -0.08 2.72 2.20 0.46 -0.87 119.74 126.19 1ngx s LYS 38 Ca 0.06 -0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1ngx s LYS 38 Cb -0.08 -2.62 0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1ngx s LYS 38 CO 0.01 0.57 -0.03 -1.14 -0.36 0.00 0.00 175.35 174.40 1ngx s GLN 39 N -0.57 0.94 0.09 4.03 0.74 0.31 -1.12 119.66 124.09 1ngx s GLN 39 Ca 0.08 -0.05 0.08 0.00 0.05 0.00 0.00 55.36 55.53 1ngx s GLN 39 Cb -0.12 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.83 1ngx s GLN 39 CO 0.02 -0.24 -0.17 1.03 -0.55 0.00 0.00 175.29 175.38 1ngx s ARG 40 N 1.65 1.90 0.00 1.67 0.52 -1.26 -1.30 118.95 122.13 1ngx s ARG 40 Ca 0.01 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1ngx s ARG 40 Cb -0.13 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.18 1ngx s ARG 40 CO -0.05 0.50 0.27 -2.30 0.02 0.00 0.00 175.30 173.75 1ngx n PRO 41 N 0.99 0.00 -1.22 3.54 -0.02 -1.26 -1.75 135.00 135.28 1ngx n PRO 41 Ca -0.15 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 1ngx n PRO 41 Cb 0.52 -0.49 0.18 0.00 -0.02 0.00 0.00 33.50 33.69 1ngx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ngx n GLY 42 N -0.79 4.56 3.38 -1.23 0.00 -1.26 -4.95 105.19 104.89 1ngx n GLY 42 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 1ngx n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ngx s ARG 43 N -3.32 1.41 0.65 1.61 1.81 -0.72 -5.14 118.95 115.26 1ngx s ARG 43 Ca 0.57 -1.57 -0.11 0.00 -1.72 0.00 0.00 55.73 52.90 1ngx s ARG 43 Cb 0.48 -1.39 -0.02 0.00 -0.45 0.00 0.00 34.95 33.57 1ngx s ARG 43 CO 0.10 0.26 1.04 0.20 -0.68 0.00 0.00 175.30 176.23 1ngx s GLY 44 N -3.11 1.66 0.55 -3.53 0.00 -1.26 -4.37 107.32 97.25 1ngx s GLY 44 Ca 0.22 -0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.67 1ngx s GLY 44 CO 0.09 0.24 1.34 1.08 0.00 0.00 0.00 173.10 175.85 1ngx s LEU 45 N -5.31 3.84 -0.05 0.66 1.43 -1.26 -4.64 118.68 113.35 1ngx s LEU 45 Ca 0.56 2.73 0.03 0.00 -1.03 0.00 0.00 54.13 56.42 1ngx s LEU 45 Cb -0.12 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1ngx s LEU 45 CO 0.54 -1.57 -0.13 -1.61 0.23 0.00 0.00 176.35 173.81 1ngx s GLU 46 N -2.93 1.54 -0.10 1.70 2.02 -0.28 -4.98 118.70 115.66 1ngx s GLU 46 Ca 0.72 -0.46 -0.23 0.00 0.02 0.00 0.00 54.97 55.02 1ngx s GLU 46 Cb -0.39 -1.33 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 1ngx s GLU 46 CO 0.46 0.13 0.70 -0.46 0.02 0.00 0.00 175.26 176.11 1ngx s TRP 47 N 0.32 3.52 -0.22 1.61 -0.00 -1.26 -0.41 118.94 122.50 1ngx s TRP 47 Ca -0.08 1.19 -0.19 0.00 -0.00 0.00 0.00 56.10 57.02 1ngx s TRP 47 Cb -0.12 -2.83 -0.18 0.00 -0.00 0.00 0.00 33.47 30.34 1ngx s TRP 47 CO 0.02 -0.00 0.11 -0.89 -0.00 0.00 0.00 176.95 176.19 1ngx n ILE 48 N 4.07 1.55 -1.50 5.86 5.41 -0.16 -4.66 119.36 129.92 1ngx n ILE 48 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1ngx n ILE 48 Cb 0.51 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 1ngx n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ngx n GLY 49 N 1.44 -1.80 3.08 7.39 0.00 -1.23 -0.86 105.19 113.21 1ngx n GLY 49 Ca -0.37 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1ngx n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ngx s ARG 50 N -1.64 0.58 -0.05 1.61 1.70 -0.02 -0.91 118.95 120.22 1ngx s ARG 50 Ca 0.00 -1.04 -0.05 0.00 -0.47 0.00 0.00 55.73 54.17 1ngx s ARG 50 Cb 0.00 0.01 0.01 0.00 -0.57 0.00 0.00 34.95 34.41 1ngx s ARG 50 CO 0.00 -0.05 0.15 -1.50 -1.08 0.00 0.00 175.30 172.82 1ngx s ILE 51 N -2.90 0.01 -0.45 4.99 2.07 -0.01 -1.81 121.20 123.10 1ngx s ILE 51 Ca 0.00 -0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 59.04 1ngx s ILE 51 Cb 0.01 -0.24 0.08 0.00 0.13 0.00 0.00 42.46 42.43 1ngx s ILE 51 CO -0.05 -0.04 0.34 -0.62 -1.91 0.00 0.00 174.94 172.66 1ngx s ASP 52 N -0.07 5.92 0.55 4.50 -1.08 -0.20 -0.65 116.67 125.64 1ngx s ASP 52 Ca -0.01 -1.41 0.26 0.00 -0.52 0.00 0.00 52.55 50.86 1ngx s ASP 52 Cb -0.02 -2.10 1.45 0.00 -1.46 0.00 0.00 42.92 40.79 1ngx s ASP 52 CO 0.00 -0.60 2.01 -0.65 0.52 0.00 0.00 175.17 176.46 1ngx h PRO 53 N 8.60 0.00 0.04 4.34 0.11 -1.88 1.01 132.00 144.22 1ngx h PRO 53 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ngx h PRO 53 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ngx h PRO 53 CO 0.83 0.00 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.69 1ngx h ASN 54 N 0.00 -0.05 0.14 -2.05 2.35 -1.90 -3.38 115.58 110.69 1ngx h ASN 54 Ca 0.20 -0.46 -0.36 0.00 -0.55 0.00 0.00 56.30 55.14 1ngx h ASN 54 Cb 0.88 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.21 1ngx h ASN 54 CO -0.00 0.45 -2.17 -1.54 -1.65 0.00 0.00 177.43 172.51 1ngx n SER 55 N -4.88 1.16 0.00 5.81 3.41 -1.04 -4.99 113.62 113.10 1ngx n SER 55 Ca -0.09 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1ngx n SER 55 Cb 0.26 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1ngx n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngx n GLY 56 N 1.89 0.41 3.73 5.00 0.00 0.34 -5.05 105.19 111.52 1ngx n GLY 56 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1ngx n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ngx s GLY 57 N -1.26 2.87 0.13 -0.02 0.00 -1.24 -4.69 107.32 103.12 1ngx s GLY 57 Ca 0.00 1.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.96 1ngx s GLY 57 CO 0.00 1.69 0.04 -0.51 0.00 0.00 0.00 173.10 174.32 1ngx s THR 58 N -1.37 0.24 -0.22 0.90 -4.23 -1.26 -1.03 115.64 108.66 1ngx s THR 58 Ca 0.81 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1ngx s THR 58 Cb -0.38 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1ngx s THR 58 CO 0.41 -0.51 0.50 -0.75 -0.54 0.00 0.00 174.62 173.73 1ngx s LYS 59 N -4.01 0.45 0.21 3.99 2.36 -0.75 -4.99 119.74 117.00 1ngx s LYS 59 Ca 0.23 1.06 0.09 0.00 -2.55 0.00 0.00 55.97 54.80 1ngx s LYS 59 Cb 0.07 0.27 -0.04 0.00 -1.05 0.00 0.00 37.83 37.08 1ngx s LYS 59 CO 0.01 -0.20 -0.08 0.71 1.55 0.00 0.00 175.35 177.35 1ngx s TYR 60 N 2.09 2.63 -0.04 4.03 1.51 -1.26 -0.84 117.35 125.47 1ngx s TYR 60 Ca -0.06 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 1ngx s TYR 60 Cb -0.10 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1ngx s TYR 60 CO -0.15 0.55 1.08 1.21 -1.11 0.00 0.00 175.55 177.13 1ngx s ASN 61 N -3.06 7.20 0.35 2.29 3.04 -0.04 -4.91 114.94 119.81 1ngx s ASN 61 Ca 0.27 1.72 0.14 0.00 0.04 0.00 0.00 52.86 55.03 1ngx s ASN 61 Cb -0.08 -2.56 1.03 0.00 -1.54 0.00 0.00 41.25 38.10 1ngx s ASN 61 CO 0.16 -0.44 1.71 -0.08 -3.04 0.00 0.00 177.10 175.41 1ngx h GLU 62 N 7.07 0.41 -0.09 0.43 4.57 -1.94 0.32 114.58 125.35 1ngx h GLU 62 Ca -0.36 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1ngx h GLU 62 Cb 1.18 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1ngx h GLU 62 CO 0.83 0.27 0.06 -0.22 -1.18 0.00 0.00 179.01 178.78 1ngx h LYS 63 N 0.43 0.02 -0.33 1.92 3.64 -1.95 -2.67 116.57 117.62 1ngx h LYS 63 Ca 0.68 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1ngx h LYS 63 Cb 1.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1ngx h LYS 63 CO -0.49 0.01 0.00 1.19 -2.27 0.00 0.00 179.45 177.89 1ngx n PHE 64 N -4.51 0.43 -0.34 1.91 3.01 0.08 -4.61 117.46 113.42 1ngx n PHE 64 Ca -0.01 -0.28 0.07 0.00 1.01 0.00 0.00 57.45 58.24 1ngx n PHE 64 Cb 0.17 -0.01 0.24 0.00 -0.01 0.00 0.00 39.48 39.87 1ngx n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1ngx h LYS 65 N 3.48 0.85 0.00 -1.08 3.64 -1.23 0.81 116.57 123.04 1ngx h LYS 65 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1ngx h LYS 65 Cb 0.83 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ngx h LYS 65 CO 0.00 0.57 -0.35 0.66 -2.27 0.00 0.00 179.45 178.05 1ngx h SER 66 N 0.88 0.00 0.00 4.20 4.64 -1.81 -3.38 113.55 118.08 1ngx h SER 66 Ca 0.49 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.69 1ngx h SER 66 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1ngx h SER 66 CO -0.29 0.07 -1.82 2.29 -0.87 0.00 0.00 176.83 176.21 1ngx n LYS 67 N -2.99 1.03 -4.53 4.77 2.85 -0.92 -4.87 118.16 113.49 1ngx n LYS 67 Ca 0.02 -0.08 -0.34 0.00 -1.05 0.00 0.00 58.31 56.86 1ngx n LYS 67 Cb 0.56 -1.36 -0.11 0.00 -0.65 0.00 0.00 35.03 33.48 1ngx n LYS 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ngx s ALA 68 N -2.72 3.09 -0.11 0.58 0.00 0.23 -0.99 121.76 121.84 1ngx s ALA 68 Ca -0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1ngx s ALA 68 Cb 0.07 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1ngx s ALA 68 CO 0.60 0.58 -0.02 0.99 0.00 0.00 0.00 175.76 177.92 1ngx s THR 69 N -0.84 0.63 -0.20 0.00 2.01 -0.07 -4.73 115.64 112.44 1ngx s THR 69 Ca 0.13 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 1ngx s THR 69 Cb -0.11 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1ngx s THR 69 CO 0.02 0.20 0.13 -0.76 -0.69 0.00 0.00 174.62 173.52 1ngx s LEU 70 N 1.86 4.20 0.24 4.42 1.43 -1.26 -0.77 118.68 128.79 1ngx s LEU 70 Ca 0.04 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1ngx s LEU 70 Cb -0.13 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1ngx s LEU 70 CO -0.07 0.19 0.15 0.42 0.23 0.00 0.00 176.35 177.27 1ngx s THR 71 N 0.33 0.10 -0.09 5.49 -4.23 -0.37 -4.99 115.64 111.88 1ngx s THR 71 Ca 0.08 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1ngx s THR 71 Cb -0.11 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.23 1ngx s THR 71 CO -0.02 0.00 0.24 0.54 -0.54 0.00 0.00 174.62 174.84 1ngx s VAL 72 N -3.95 0.00 -0.75 2.29 0.11 -1.26 -0.31 120.40 116.53 1ngx s VAL 72 Ca 0.39 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 1ngx s VAL 72 Cb 0.06 -0.34 0.20 0.00 -1.53 0.00 0.00 36.38 34.77 1ngx s VAL 72 CO 0.15 -0.00 0.67 -0.62 -3.33 0.00 0.00 175.10 171.97 1ngx s ASP 73 N 0.12 6.40 0.29 3.54 2.15 0.16 -4.94 116.67 124.39 1ngx s ASP 73 Ca -0.00 -2.63 0.05 0.00 0.43 0.00 0.00 52.55 50.40 1ngx s ASP 73 Cb -0.02 -2.14 0.71 0.00 -0.30 0.00 0.00 42.92 41.18 1ngx s ASP 73 CO 0.00 -0.56 1.76 0.11 -0.17 0.00 0.00 175.17 176.31 1ngx h LYS 74 N 7.75 0.65 -0.82 4.34 1.57 -1.85 0.21 116.57 128.41 1ngx h LYS 74 Ca 0.04 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1ngx h LYS 74 Cb 1.03 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 1ngx h LYS 74 CO 0.77 0.43 0.50 -1.35 -0.57 0.00 0.00 179.45 179.23 1ngx h PRO 75 N 0.67 0.86 -0.51 3.15 0.11 -1.97 -2.40 132.00 131.91 1ngx h PRO 75 Ca 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1ngx h PRO 75 Cb 0.90 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1ngx h PRO 75 CO -0.41 0.57 0.00 -1.13 -0.21 0.00 0.00 178.00 176.82 1ngx n SER 76 N -4.67 3.57 -3.89 -2.05 3.41 -0.81 -4.98 113.62 104.20 1ngx n SER 76 Ca 0.12 -1.98 -0.29 0.00 -0.26 0.00 0.00 58.87 56.46 1ngx n SER 76 Cb 0.20 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1ngx n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ngx n SER 77 N 1.45 -2.07 -4.13 4.04 7.64 -0.00 -4.85 113.62 115.70 1ngx n SER 77 Ca 0.20 -1.04 -0.27 0.00 1.01 0.00 0.00 58.87 58.77 1ngx n SER 77 Cb 0.59 -3.02 -0.16 0.00 -1.01 0.00 0.00 64.21 60.60 1ngx n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ngx s THR 78 N -3.79 1.52 -0.04 0.44 2.01 -1.05 -1.55 115.64 113.19 1ngx s THR 78 Ca 0.18 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1ngx s THR 78 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1ngx s THR 78 CO 0.89 0.44 0.19 0.00 -0.69 0.00 0.00 174.62 175.44 1ngx s ALA 79 N 0.29 3.91 0.05 7.40 0.00 0.20 -0.67 121.76 132.94 1ngx s ALA 79 Ca -0.11 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1ngx s ALA 79 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 1ngx s ALA 79 CO 0.04 0.68 -0.14 0.71 0.00 0.00 0.00 175.76 177.05 1ngx s TYR 80 N -1.22 1.26 -0.16 0.00 2.02 0.58 -0.70 117.35 119.13 1ngx s TYR 80 Ca 0.23 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 1ngx s TYR 80 Cb -0.13 -0.73 0.04 0.00 -0.40 0.00 0.00 41.96 40.75 1ngx s TYR 80 CO 0.13 0.05 -0.02 1.41 -1.57 0.00 0.00 175.55 175.55 1ngx s MET 81 N -1.36 1.10 -0.19 -0.62 -2.45 -0.25 -1.24 119.30 114.30 1ngx s MET 81 Ca 0.01 -0.40 -0.10 0.00 -1.25 0.00 0.00 55.69 53.95 1ngx s MET 81 Cb -0.09 -1.87 -0.05 0.00 1.25 0.00 0.00 34.83 34.08 1ngx s MET 81 CO 0.02 -0.47 0.14 -1.14 1.05 0.00 0.00 175.02 174.62 1ngx s GLN 82 N 1.74 4.08 -0.19 4.11 0.74 0.05 -0.76 119.66 129.43 1ngx s GLN 82 Ca 0.01 -0.19 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 1ngx s GLN 82 Cb -0.15 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 1ngx s GLN 82 CO -0.07 0.37 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.44 1ngx s LEU 83 N 0.14 2.72 0.42 3.68 1.43 0.30 -0.90 118.68 126.48 1ngx s LEU 83 Ca 0.09 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1ngx s LEU 83 Cb -0.11 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1ngx s LEU 83 CO -0.01 0.03 0.44 -0.44 0.23 0.00 0.00 176.35 176.61 1ngx s SER 84 N 1.15 5.27 -1.12 2.29 0.01 -0.16 -1.61 113.70 119.52 1ngx s SER 84 Ca 0.01 -0.63 -0.25 0.00 1.31 0.00 0.00 55.95 56.40 1ngx s SER 84 Cb -0.14 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1ngx s SER 84 CO -0.03 -0.68 0.47 -1.20 0.41 0.00 0.00 173.24 172.21 1ngx n SER 85 N -1.65 -2.67 -4.70 2.44 7.64 -1.08 -4.79 113.62 108.82 1ngx n SER 85 Ca 0.05 -1.14 -0.41 0.00 1.01 0.00 0.00 58.87 58.37 1ngx n SER 85 Cb 0.61 -1.38 0.01 0.00 -1.01 0.00 0.00 64.21 62.43 1ngx n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngx n LEU 86 N -4.49 3.85 -4.28 -3.43 4.77 -0.59 -4.58 117.00 108.25 1ngx n LEU 86 Ca -0.13 1.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.84 1ngx n LEU 86 Cb 0.51 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 1ngx n LEU 86 CO 0.67 -0.60 -0.29 -0.89 -1.33 0.00 0.00 177.39 174.95 1ngx s THR 87 N -1.17 0.59 0.62 -5.08 2.01 -1.26 -0.25 115.64 111.10 1ngx s THR 87 Ca 0.59 -1.99 0.32 0.00 0.31 0.00 0.00 61.69 60.92 1ngx s THR 87 Cb -0.53 -2.40 0.36 0.00 0.01 0.00 0.00 72.50 69.95 1ngx s THR 87 CO 0.59 -0.21 2.10 0.28 -0.69 0.00 0.00 174.62 176.69 1ngx h SER 88 N 2.53 0.00 0.77 3.53 0.02 -1.96 0.15 113.55 118.59 1ngx h SER 88 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1ngx h SER 88 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ngx h SER 88 CO 0.61 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 175.97 1ngx h GLU 89 N 0.00 0.00 -0.00 3.45 4.39 -1.95 -2.44 114.58 118.03 1ngx h GLU 89 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ngx h GLU 89 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ngx h GLU 89 CO -0.00 0.00 -0.26 -0.25 -1.16 0.00 0.00 179.01 177.34 1ngx n ASP 90 N -2.89 0.50 -4.67 1.42 8.00 0.53 -4.82 116.55 114.62 1ngx n ASP 90 Ca 0.00 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 1ngx n ASP 90 Cb 0.24 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1ngx n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ngx s SER 91 N -2.76 6.76 0.00 -2.24 0.01 -0.92 -4.80 113.70 109.75 1ngx s SER 91 Ca 0.19 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1ngx s SER 91 Cb 0.19 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1ngx s SER 91 CO 0.57 -0.84 0.00 0.00 0.41 0.00 0.00 173.24 173.39 1ngx n ALA 92 N 6.46 0.00 -2.80 1.44 0.00 -0.78 -4.87 120.51 119.97 1ngx n ALA 92 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 1ngx n ALA 92 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1ngx n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ngx s VAL 93 N -2.00 4.93 0.01 0.00 1.01 -0.42 -1.48 120.40 122.45 1ngx s VAL 93 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1ngx s VAL 93 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1ngx s VAL 93 CO 0.00 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.12 1ngx s TYR 94 N 0.38 2.72 0.02 5.22 1.51 0.11 -0.53 117.35 126.77 1ngx s TYR 94 Ca 0.04 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1ngx s TYR 94 Cb -0.12 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1ngx s TYR 94 CO -0.00 0.29 -0.16 0.71 -1.11 0.00 0.00 175.55 175.28 1ngx s TYR 95 N -0.92 1.40 0.06 2.71 2.02 -0.05 -1.09 117.35 121.49 1ngx s TYR 95 Ca 0.15 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1ngx s TYR 95 Cb -0.11 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1ngx s TYR 95 CO 0.05 0.02 -0.10 0.00 -1.57 0.00 0.00 175.55 173.96 1ngx s THR 97 N -1.10 3.30 -0.01 0.00 -4.23 0.34 -0.30 115.64 113.64 1ngx s THR 97 Ca 0.19 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1ngx s THR 97 Cb -0.11 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ngx s THR 97 CO 0.10 -0.17 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.80 1ngx s ARG 98 N -3.04 0.72 0.53 3.99 0.52 -1.26 -3.62 118.95 116.79 1ngx s ARG 98 Ca 0.27 -0.27 0.29 0.00 -0.52 0.00 0.00 55.73 55.49 1ngx s ARG 98 Cb -0.08 -0.70 1.45 0.00 0.52 0.00 0.00 34.95 36.14 1ngx s ARG 98 CO 0.17 0.14 2.06 0.07 0.02 0.00 0.00 175.30 177.75 1ngx h ARG 99 N 6.13 0.00 -0.99 3.54 0.11 -1.91 -3.11 114.38 118.15 1ngx h ARG 99 Ca -0.31 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.12 1ngx h ARG 99 Cb 1.18 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.93 1ngx h ARG 99 CO 0.49 0.11 0.46 -0.40 0.10 0.00 0.00 179.97 180.74 1ngx n ASP 100 N -3.52 7.00 -3.65 0.08 3.85 -1.26 -4.88 116.55 114.17 1ngx n ASP 100 Ca -0.01 -3.78 -0.07 0.00 -0.71 0.00 0.00 54.79 50.22 1ngx n ASP 100 Cb 0.25 -0.82 -0.07 0.00 -1.35 0.00 0.00 41.12 39.13 1ngx n ASP 100 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1ngx s SER 101 N -2.25 -0.88 0.07 -1.12 0.15 -1.18 -5.03 113.70 103.47 1ngx s SER 101 Ca 0.61 1.41 0.25 0.00 0.70 0.00 0.00 55.95 58.91 1ngx s SER 101 Cb 0.48 1.46 0.98 0.00 -1.71 0.00 0.00 66.02 67.23 1ngx s SER 101 CO -0.02 -0.23 1.77 -0.90 1.20 0.00 0.00 173.24 175.06 1ngx n ASP 102 N 4.57 0.25 -4.71 5.45 5.75 -1.26 -4.68 116.55 121.92 1ngx n ASP 102 Ca -0.18 0.53 -0.35 0.00 -0.01 0.00 0.00 54.79 54.78 1ngx n ASP 102 Cb 0.56 -0.60 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 1ngx n ASP 102 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1ngx s TYR 103 N -3.06 3.21 0.88 2.11 2.02 -1.26 -5.10 117.35 116.14 1ngx s TYR 103 Ca 0.11 0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.90 1ngx s TYR 103 Cb 0.14 -1.78 0.12 0.00 -0.40 0.00 0.00 41.96 40.04 1ngx s TYR 103 CO 0.47 0.50 1.10 -1.58 -1.57 0.00 0.00 175.55 174.47 1ngx s TRP 104 N -0.96 2.46 1.04 2.71 0.51 -1.26 -4.72 118.94 118.72 1ngx s TRP 104 Ca 0.15 1.17 -0.11 0.00 -2.12 0.00 0.00 56.10 55.19 1ngx s TRP 104 Cb -0.11 -3.18 0.22 0.00 -0.81 0.00 0.00 33.47 29.58 1ngx s TRP 104 CO 0.05 -2.26 1.09 0.20 -0.51 0.00 0.00 176.95 175.51 1ngx s GLY 105 N -3.61 1.62 0.00 0.98 0.00 0.59 -4.95 107.32 101.94 1ngx s GLY 105 Ca 0.63 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1ngx s GLY 105 CO 0.56 0.83 0.00 0.00 0.00 0.00 0.00 173.10 174.49 1ngx n ALA 106 N -4.59 0.00 -3.32 3.20 0.00 -1.26 -4.65 120.51 109.89 1ngx n ALA 106 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1ngx n ALA 106 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1ngx n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ngx s GLY 107 N 0.00 -0.04 -0.19 0.00 0.00 -1.26 -4.92 107.32 100.92 1ngx s GLY 107 Ca 0.00 3.25 -0.02 0.00 0.00 0.00 0.00 44.72 47.95 1ngx s GLY 107 CO 0.00 3.31 -0.11 -0.51 0.00 0.00 0.00 173.10 175.80 1ngx s THR 108 N 2.34 2.93 -0.16 0.90 -4.23 -0.25 -3.75 115.64 113.41 1ngx s THR 108 Ca -0.01 -0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 1ngx s THR 108 Cb -0.04 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1ngx s THR 108 CO -0.17 0.48 0.04 -0.89 -0.54 0.00 0.00 174.62 173.54 1ngx s THR 109 N 1.16 4.64 -0.14 3.99 2.01 -0.52 0.04 115.64 126.83 1ngx s THR 109 Ca 0.01 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 1ngx s THR 109 Cb -0.14 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 1ngx s THR 109 CO -0.04 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.60 1ngx s VAL 110 N 0.17 3.36 -0.25 3.82 1.01 -0.55 -1.19 120.40 126.77 1ngx s VAL 110 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1ngx s VAL 110 Cb -0.12 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.87 1ngx s VAL 110 CO 0.01 0.52 -0.11 0.42 0.00 0.00 0.00 175.10 175.93 1ngx s THR 111 N 0.30 2.29 -0.35 3.92 -4.23 -0.46 -1.86 115.64 115.25 1ngx s THR 111 Ca -0.08 -1.42 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1ngx s THR 111 Cb -0.15 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1ngx s THR 111 CO 0.05 0.09 0.39 -0.69 -0.54 0.00 0.00 174.62 173.91 1ngx s VAL 112 N 1.17 5.14 -0.04 2.29 1.01 -1.26 -0.69 120.40 128.03 1ngx s VAL 112 Ca -0.05 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1ngx s VAL 112 Cb -0.18 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1ngx s VAL 112 CO -0.06 -0.13 0.79 -0.55 0.00 0.00 0.00 175.10 175.15 1ngx s SER 113 N 1.74 -0.52 0.09 3.32 0.15 -0.78 -4.69 113.70 113.01 1ngx s SER 113 Ca 0.13 0.39 0.25 0.00 0.70 0.00 0.00 55.95 57.42 1ngx s SER 113 Cb -0.16 0.46 0.47 0.00 -1.71 0.00 0.00 66.02 65.08 1ngx s SER 113 CO 0.12 -0.60 1.41 -1.54 1.20 0.00 0.00 173.24 173.84 1ngx n SER 114 N 0.45 0.61 -4.75 5.45 3.41 -1.26 -4.20 113.62 113.33 1ngx n SER 114 Ca -0.15 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 1ngx n SER 114 Cb 0.59 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1ngx n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngx s ALA 115 N -3.11 2.82 0.50 7.33 0.00 -1.26 -5.00 121.76 123.04 1ngx s ALA 115 Ca 0.08 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1ngx s ALA 115 Cb 0.15 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1ngx s ALA 115 CO 0.69 -1.27 0.95 -1.54 0.00 0.00 0.00 175.76 174.59 1ngx s SER 116 N -1.05 6.57 0.33 0.00 1.04 -1.26 -5.02 113.70 114.31 1ngx s SER 116 Ca 0.71 1.47 -0.28 0.00 0.48 0.00 0.00 55.95 58.34 1ngx s SER 116 Cb -0.38 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.17 1ngx s SER 116 CO 0.45 -0.58 1.11 0.42 0.98 0.00 0.00 173.24 175.63 1ngx s THR 117 N -2.63 3.42 -0.07 2.02 -4.23 -1.26 -4.75 115.64 108.14 1ngx s THR 117 Ca 0.57 1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 62.37 1ngx s THR 117 Cb -0.10 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.98 1ngx s THR 117 CO 0.33 0.23 0.15 -0.75 -0.54 0.00 0.00 174.62 174.05 1ngx s LYS 118 N -1.82 0.07 0.54 3.99 2.20 0.78 -4.96 119.74 120.55 1ngx s LYS 118 Ca 0.49 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 56.39 1ngx s LYS 118 Cb -0.30 -0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 35.74 1ngx s LYS 118 CO 0.39 -0.22 1.02 0.20 -0.36 0.00 0.00 175.35 176.38 1ngx s GLY 119 N 1.60 2.12 0.66 5.54 0.00 -1.26 -1.26 107.32 114.72 1ngx s GLY 119 Ca -0.05 0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.90 1ngx s GLY 119 CO -0.06 0.59 0.98 2.56 0.00 0.00 0.00 173.10 177.17 1ngx s PRO 120 N -4.00 2.58 -0.08 2.90 0.04 -1.26 -4.60 135.00 130.58 1ngx s PRO 120 Ca 0.61 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.62 1ngx s PRO 120 Cb -0.13 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1ngx s PRO 120 CO 0.32 -0.99 -0.12 -1.12 0.04 0.00 0.00 177.00 175.13 1ngx s SER 121 N -4.41 4.19 -0.15 6.66 0.01 -0.43 -4.94 113.70 114.62 1ngx s SER 121 Ca 0.57 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.61 1ngx s SER 121 Cb -0.11 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 1ngx s SER 121 CO 0.46 0.29 -0.07 -0.69 0.41 0.00 0.00 173.24 173.63 1ngx s VAL 122 N -0.38 3.50 0.09 3.43 1.01 -1.26 -0.90 120.40 125.89 1ngx s VAL 122 Ca 0.04 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.63 1ngx s VAL 122 Cb -0.12 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1ngx s VAL 122 CO 0.02 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.01 1ngx s PHE 123 N 0.52 2.16 0.37 5.22 0.08 0.10 -4.96 117.98 121.46 1ngx s PHE 123 Ca -0.05 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.36 1ngx s PHE 123 Cb -0.15 -1.22 -0.10 0.00 -0.57 0.00 0.00 43.02 40.98 1ngx s PHE 123 CO 0.03 0.23 0.96 -1.25 -0.10 0.00 0.00 175.22 175.10 1ngx s PRO 124 N -1.71 4.42 -0.57 0.24 0.04 -1.26 -0.59 135.00 135.55 1ngx s PRO 124 Ca 0.11 1.30 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1ngx s PRO 124 Cb -0.10 -2.58 0.15 0.00 0.04 0.00 0.00 34.50 32.00 1ngx s PRO 124 CO 0.04 0.13 0.36 -0.51 0.04 0.00 0.00 177.00 177.06 1ngx s LEU 125 N -2.46 4.91 0.28 -3.56 1.43 -0.17 -4.83 118.68 114.28 1ngx s LEU 125 Ca 0.55 -2.87 -0.24 0.00 -1.03 0.00 0.00 54.13 50.54 1ngx s LEU 125 Cb -0.16 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 1ngx s LEU 125 CO 0.21 -0.33 0.87 0.00 0.23 0.00 0.00 176.35 177.33 1ngx s ALA 126 N -0.08 3.29 0.55 4.21 0.00 -1.26 -0.88 121.76 127.58 1ngx s ALA 126 Ca 0.17 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 1ngx s ALA 126 Cb -0.22 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1ngx s ALA 126 CO -0.02 0.23 1.21 -2.30 0.00 0.00 0.00 175.76 174.87 1ngx n PRO 127 N 0.69 1.42 -1.34 0.00 -0.02 -1.25 -4.77 135.00 129.73 1ngx n PRO 127 Ca 0.00 0.53 -0.54 0.00 -2.02 0.00 0.00 63.50 61.47 1ngx n PRO 127 Cb 0.50 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 1ngx n PRO 127 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ngx n SER 128 N -0.77 0.95 -4.85 2.55 7.64 -1.26 -4.53 113.62 113.34 1ngx n SER 128 Ca 0.11 0.51 -0.36 0.00 1.01 0.00 0.00 58.87 60.15 1ngx n SER 128 Cb 0.45 -0.99 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1ngx n SER 128 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ngx s SER 129 N 6.94 6.74 0.00 6.43 1.04 -1.26 -2.89 113.70 130.70 1ngx s SER 129 Ca 1.20 0.92 0.00 0.00 0.48 0.00 0.00 55.95 58.56 1ngx s SER 129 Cb -1.31 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 62.58 1ngx s SER 129 CO 0.59 0.19 0.00 0.29 0.98 0.00 0.00 173.24 175.29 1ngx n LYS 130 N 1.12 0.00 -2.54 4.02 5.02 -1.26 -4.53 118.16 119.98 1ngx n LYS 130 Ca -0.09 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.97 1ngx n LYS 130 Cb 0.52 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1ngx n LYS 130 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ngx n SER 131 N 0.77 3.95 -4.80 4.39 7.64 -1.26 -5.07 113.62 119.24 1ngx n SER 131 Ca 0.00 -3.49 -0.37 0.00 1.01 0.00 0.00 58.87 56.01 1ngx n SER 131 Cb 0.00 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 1ngx n SER 131 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ngx s THR 132 N -4.94 4.47 0.00 0.44 -1.32 -1.14 -4.83 115.64 108.32 1ngx s THR 132 Ca 0.43 1.49 0.00 0.00 -1.21 0.00 0.00 61.69 62.40 1ngx s THR 132 Cb 0.41 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 1ngx s THR 132 CO -0.14 0.32 0.00 -1.20 -2.21 0.00 0.00 174.62 171.39 1ngx n SER 133 N 1.04 0.00 -0.00 8.08 7.64 -1.26 -5.04 113.62 124.07 1ngx n SER 133 Ca -0.03 -0.75 0.01 0.00 1.01 0.00 0.00 58.87 59.10 1ngx n SER 133 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1ngx n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngx n GLY 134 N 5.00 0.05 0.00 0.23 0.00 -1.26 -4.88 105.19 104.32 1ngx n GLY 134 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ngx n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngx n GLY 135 N 2.16 1.74 3.48 -0.02 0.00 -1.26 -4.43 105.19 106.87 1ngx n GLY 135 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ngx n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ngx s THR 136 N 0.00 3.09 0.36 2.61 -4.23 -1.26 -1.94 115.64 114.27 1ngx s THR 136 Ca 0.00 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1ngx s THR 136 Cb 0.00 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1ngx s THR 136 CO 0.00 0.59 0.08 0.00 -0.54 0.00 0.00 174.62 174.76 1ngx s ALA 137 N -0.73 3.37 0.02 3.99 0.00 0.66 -4.79 121.76 124.26 1ngx s ALA 137 Ca 0.11 -1.98 0.02 0.00 0.00 0.00 0.00 51.96 50.12 1ngx s ALA 137 Cb -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1ngx s ALA 137 CO 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 175.76 175.68 1ngx s ALA 138 N -2.53 0.63 0.25 0.00 0.00 -1.26 -0.82 121.76 118.03 1ngx s ALA 138 Ca 0.37 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 1ngx s ALA 138 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1ngx s ALA 138 CO 0.21 0.09 0.35 -0.48 0.00 0.00 0.00 175.76 175.92 1ngx s LEU 139 N -0.83 0.78 0.00 0.00 0.05 -0.74 -3.83 118.68 114.11 1ngx s LEU 139 Ca -0.02 -1.21 0.00 0.00 0.05 0.00 0.00 54.13 52.94 1ngx s LEU 139 Cb -0.06 1.18 0.00 0.00 -2.05 0.00 0.00 46.19 45.26 1ngx s LEU 139 CO 0.00 -1.06 0.00 0.61 -0.55 0.00 0.00 176.35 175.36 1ngx n GLY 140 N -0.38 0.57 2.87 -3.48 0.00 -0.06 -0.89 105.19 103.81 1ngx n GLY 140 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1ngx n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx s LEU 142 N 0.39 3.81 -0.46 0.00 2.96 0.24 -1.55 118.68 124.06 1ngx s LEU 142 Ca -0.04 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 1ngx s LEU 142 Cb -0.06 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.72 1ngx s LEU 142 CO -0.01 -0.09 0.35 -0.69 -1.32 0.00 0.00 176.35 174.59 1ngx s VAL 143 N 1.66 4.59 0.07 1.68 1.01 0.12 -0.72 120.40 128.80 1ngx s VAL 143 Ca 0.06 -1.46 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1ngx s VAL 143 Cb -0.16 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1ngx s VAL 143 CO 0.06 -0.66 -0.05 -0.75 0.00 0.00 0.00 175.10 173.70 1ngx s LYS 144 N 1.48 2.41 -0.76 2.72 2.20 -0.08 -0.56 119.74 127.16 1ngx s LYS 144 Ca 0.04 -0.86 -0.00 0.00 -0.36 0.00 0.00 55.97 54.79 1ngx s LYS 144 Cb -0.25 -2.45 -0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1ngx s LYS 144 CO 0.02 0.55 0.69 -0.25 -0.36 0.00 0.00 175.35 176.01 1ngx n ASP 145 N 0.94 -7.47 -4.25 1.43 8.00 -0.57 -1.32 116.55 113.32 1ngx n ASP 145 Ca -0.13 -0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.05 1ngx n ASP 145 Cb 0.52 -4.92 -0.10 0.00 -0.02 0.00 0.00 41.12 36.60 1ngx n ASP 145 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1ngx s TYR 146 N -3.01 1.23 -0.28 1.24 -0.85 -0.81 -4.08 117.35 110.80 1ngx s TYR 146 Ca 0.01 -0.88 -0.23 0.00 -0.52 0.00 0.00 57.07 55.45 1ngx s TYR 146 Cb -0.00 -0.67 0.11 0.00 0.38 0.00 0.00 41.96 41.77 1ngx s TYR 146 CO 0.77 -0.05 0.92 0.12 -1.52 0.00 0.00 175.55 175.79 1ngx s PHE 147 N -3.47 -0.61 0.03 -3.49 5.36 -0.39 -0.47 117.98 114.94 1ngx s PHE 147 Ca 0.19 1.43 -0.00 0.00 -0.96 0.00 0.00 56.93 57.59 1ngx s PHE 147 Cb 0.04 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.09 1ngx s PHE 147 CO 0.02 -0.30 0.05 -0.35 -1.46 0.00 0.00 175.22 173.18 1ngx n PRO 148 N 2.69 0.55 -1.56 10.12 -0.04 -1.26 -0.15 135.00 145.34 1ngx n PRO 148 Ca -0.14 -0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 1ngx n PRO 148 Cb 0.56 -0.03 0.09 0.00 -0.04 0.00 0.00 33.50 34.08 1ngx n PRO 148 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ngx s GLU 149 N -2.54 2.11 0.41 0.54 0.41 -1.26 -4.80 118.70 113.57 1ngx s GLU 149 Ca 0.03 0.64 0.08 0.00 -0.41 0.00 0.00 54.97 55.30 1ngx s GLU 149 Cb -0.00 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 1ngx s GLU 149 CO 0.02 -1.60 0.34 -1.25 -0.49 0.00 0.00 175.26 172.28 1ngx s PRO 150 N -5.16 2.50 -0.02 0.39 0.04 -1.26 -4.89 135.00 126.60 1ngx s PRO 150 Ca 0.61 -1.56 0.05 0.00 0.04 0.00 0.00 61.00 60.14 1ngx s PRO 150 Cb -0.14 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1ngx s PRO 150 CO 0.54 -0.15 -0.18 0.08 0.04 0.00 0.00 177.00 177.33 1ngx s VAL 151 N -2.48 1.42 0.15 -0.36 1.01 -1.26 -4.36 120.40 114.52 1ngx s VAL 151 Ca 0.46 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1ngx s VAL 151 Cb -0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1ngx s VAL 151 CO 0.27 0.40 -0.17 0.42 0.00 0.00 0.00 175.10 176.02 1ngx s THR 152 N -0.35 2.83 -0.01 3.92 -4.23 -0.59 -4.98 115.64 112.23 1ngx s THR 152 Ca 0.05 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1ngx s THR 152 Cb -0.08 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1ngx s THR 152 CO -0.00 0.00 0.01 -0.69 -0.54 0.00 0.00 174.62 173.40 1ngx s VAL 153 N -1.39 0.01 0.18 2.29 1.01 -1.26 -1.86 120.40 119.38 1ngx s VAL 153 Ca 0.20 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1ngx s VAL 153 Cb -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1ngx s VAL 153 CO 0.11 0.06 -0.09 -0.55 0.00 0.00 0.00 175.10 174.64 1ngx s SER 154 N 0.64 1.98 -0.08 3.32 0.15 -0.64 -4.96 113.70 114.11 1ngx s SER 154 Ca -0.05 -1.06 0.05 0.00 0.70 0.00 0.00 55.95 55.59 1ngx s SER 154 Cb -0.08 -0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1ngx s SER 154 CO -0.02 -0.33 -0.24 0.26 1.20 0.00 0.00 173.24 174.11 1ngx s TRP 155 N -3.27 2.51 -1.54 3.44 0.52 -1.26 0.07 118.94 119.41 1ngx s TRP 155 Ca 0.20 -0.88 -0.12 0.00 0.02 0.00 0.00 56.10 55.33 1ngx s TRP 155 Cb 0.03 -1.66 0.09 0.00 -1.15 0.00 0.00 33.47 30.77 1ngx s TRP 155 CO 0.04 -0.31 0.83 0.09 0.02 0.00 0.00 176.95 177.62 1ngx n ASN 156 N 3.23 -3.46 -2.29 2.95 5.03 0.44 -1.12 115.26 120.03 1ngx n ASN 156 Ca -0.18 -0.87 -0.16 0.00 0.87 0.00 0.00 54.58 54.23 1ngx n ASN 156 Cb 0.52 -3.51 -0.02 0.00 -1.02 0.00 0.00 39.78 35.76 1ngx n ASN 156 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ngx n SER 157 N -2.83 -4.80 0.00 6.41 7.64 -1.26 -1.34 113.62 117.43 1ngx n SER 157 Ca -0.03 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1ngx n SER 157 Cb 0.55 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1ngx n SER 157 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngx n GLY 158 N -0.82 0.17 0.17 0.23 0.00 -0.28 -4.94 105.19 99.72 1ngx n GLY 158 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1ngx n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngx h ALA 159 N 0.00 0.94 -3.00 4.61 0.00 -1.11 -3.41 119.26 117.29 1ngx h ALA 159 Ca 0.00 -0.43 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 1ngx h ALA 159 Cb 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 17.46 1ngx h ALA 159 CO 0.00 0.59 -0.60 -1.17 0.00 0.00 0.00 179.25 178.07 1ngx s LEU 160 N -7.14 4.01 0.00 0.00 2.96 -1.02 -4.90 118.68 112.59 1ngx s LEU 160 Ca 0.00 -0.75 0.00 0.00 -0.22 0.00 0.00 54.13 53.16 1ngx s LEU 160 Cb 0.11 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1ngx s LEU 160 CO 0.72 -0.22 0.00 0.35 -1.32 0.00 0.00 176.35 175.87 1ngx n THR 161 N 4.89 0.00 -2.08 3.68 -2.24 -1.26 -4.22 114.28 113.05 1ngx n THR 161 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1ngx n THR 161 Cb 0.48 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 1ngx n THR 161 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ngx s SER 162 N -2.18 6.74 0.00 3.42 1.04 -1.26 -2.75 113.70 118.71 1ngx s SER 162 Ca 0.00 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.87 1ngx s SER 162 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1ngx s SER 162 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1ngx n GLY 163 N 3.54 0.71 3.77 7.32 0.00 -1.26 -4.71 105.19 114.56 1ngx n GLY 163 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ngx n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngx s VAL 164 N -2.89 4.54 -0.21 1.61 0.11 -1.11 -2.51 120.40 119.93 1ngx s VAL 164 Ca 0.00 1.63 -0.03 0.00 -2.93 0.00 0.00 61.98 60.65 1ngx s VAL 164 Cb 0.00 -4.11 0.07 0.00 -1.53 0.00 0.00 36.38 30.81 1ngx s VAL 164 CO 0.00 0.47 0.06 -1.00 -3.33 0.00 0.00 175.10 171.30 1ngx s HIS 165 N -0.74 0.89 -0.33 1.54 3.76 0.49 -4.99 115.29 115.92 1ngx s HIS 165 Ca 0.36 -0.86 -0.10 0.00 -0.15 0.00 0.00 55.06 54.31 1ngx s HIS 165 Cb -0.22 -1.03 -0.00 0.00 1.11 0.00 0.00 32.58 32.44 1ngx s HIS 165 CO 0.24 -0.64 0.17 0.99 -0.85 0.00 0.00 174.74 174.65 1ngx s THR 166 N 1.90 4.68 0.55 1.30 2.01 -1.26 -1.00 115.64 123.82 1ngx s THR 166 Ca 0.02 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 1ngx s THR 166 Cb -0.17 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1ngx s THR 166 CO -0.13 -0.00 1.01 -0.36 -0.69 0.00 0.00 174.62 174.45 1ngx s PHE 167 N 1.62 3.36 0.52 4.92 0.08 -0.35 -5.01 117.98 123.11 1ngx s PHE 167 Ca 0.04 1.46 -0.22 0.00 0.12 0.00 0.00 56.93 58.34 1ngx s PHE 167 Cb -0.17 -2.83 -0.06 0.00 -0.57 0.00 0.00 43.02 39.38 1ngx s PHE 167 CO 0.07 -0.59 1.24 -2.14 -0.10 0.00 0.00 175.22 173.70 1ngx s PRO 168 N -4.21 3.38 0.69 0.24 0.02 -1.26 -4.53 135.00 129.33 1ngx s PRO 168 Ca 0.60 1.94 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 1ngx s PRO 168 Cb -0.11 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 32.17 1ngx s PRO 168 CO 0.35 -0.91 1.12 0.00 -0.33 0.00 0.00 177.00 177.24 1ngx s ALA 169 N -1.48 2.37 -0.05 -1.55 0.00 -1.26 -4.76 121.76 115.03 1ngx s ALA 169 Ca 0.69 0.56 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1ngx s ALA 169 Cb -0.33 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1ngx s ALA 169 CO 0.39 -1.45 -0.24 0.08 0.00 0.00 0.00 175.76 174.54 1ngx s VAL 170 N -2.36 2.13 -0.29 0.00 1.01 0.20 -4.95 120.40 116.15 1ngx s VAL 170 Ca 0.67 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1ngx s VAL 170 Cb -0.21 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1ngx s VAL 170 CO 0.44 0.57 0.66 -0.22 0.00 0.00 0.00 175.10 176.55 1ngx s LEU 171 N -0.25 4.11 0.64 3.92 2.96 -1.26 -1.43 118.68 127.37 1ngx s LEU 171 Ca -0.01 0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 1ngx s LEU 171 Cb -0.13 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 1ngx s LEU 171 CO 0.03 -0.46 1.03 -1.10 -1.32 0.00 0.00 176.35 174.53 1ngx s GLN 172 N 2.63 3.22 0.57 1.98 -0.21 0.11 -4.94 119.66 123.02 1ngx s GLN 172 Ca 0.27 0.52 0.38 0.00 0.02 0.00 0.00 55.36 56.54 1ngx s GLN 172 Cb -0.15 -2.10 1.94 0.00 1.00 0.00 0.00 33.01 33.71 1ngx s GLN 172 CO 0.11 -0.75 2.15 0.66 -2.12 0.00 0.00 175.29 175.33 1ngx h SER 173 N -0.41 0.00 1.25 5.90 4.64 -1.97 -0.09 113.55 122.87 1ngx h SER 173 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ngx h SER 173 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ngx h SER 173 CO 0.63 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.36 1ngx h SER 174 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.68 1ngx h SER 174 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ngx h SER 174 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ngx h SER 174 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ngx n GLY 175 N 0.58 0.54 3.83 -0.77 0.00 -0.05 -5.07 105.19 104.26 1ngx n GLY 175 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ngx n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ngx s LEU 176 N 0.00 3.97 0.33 0.99 1.43 -1.26 -4.86 118.68 119.28 1ngx s LEU 176 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1ngx s LEU 176 Cb 0.00 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1ngx s LEU 176 CO 0.00 0.10 0.53 -0.31 0.23 0.00 0.00 176.35 176.91 1ngx s TYR 177 N -1.62 3.50 -0.00 0.29 2.02 0.38 -0.71 117.35 121.20 1ngx s TYR 177 Ca 0.32 0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1ngx s TYR 177 Cb -0.11 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1ngx s TYR 177 CO 0.25 0.15 0.02 -1.12 -1.57 0.00 0.00 175.55 173.28 1ngx s SER 178 N -3.93 0.04 -0.04 2.29 0.01 -0.51 -1.51 113.70 110.05 1ngx s SER 178 Ca 0.40 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 1ngx s SER 178 Cb -0.10 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1ngx s SER 178 CO 0.35 -0.10 0.12 -0.22 0.41 0.00 0.00 173.24 173.80 1ngx s LEU 179 N -0.44 1.55 0.05 2.44 0.20 0.27 -0.63 118.68 122.13 1ngx s LEU 179 Ca -0.05 0.13 0.09 0.00 0.69 0.00 0.00 54.13 54.99 1ngx s LEU 179 Cb -0.03 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.17 1ngx s LEU 179 CO -0.00 -0.12 -0.24 -0.44 -0.29 0.00 0.00 176.35 175.25 1ngx s SER 180 N -0.29 2.92 -0.04 3.68 0.01 -1.26 0.12 113.70 118.84 1ngx s SER 180 Ca -0.04 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.65 1ngx s SER 180 Cb -0.03 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1ngx s SER 180 CO 0.00 0.21 -0.05 -0.55 0.41 0.00 0.00 173.24 173.26 1ngx s SER 181 N -1.30 0.97 0.22 2.44 0.15 -0.60 -1.22 113.70 114.37 1ngx s SER 181 Ca 0.10 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.65 1ngx s SER 181 Cb -0.10 -0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 63.73 1ngx s SER 181 CO 0.02 -0.03 -0.03 0.68 1.20 0.00 0.00 173.24 175.08 1ngx s VAL 182 N 0.76 1.16 -0.12 4.45 -7.23 -0.17 -0.63 120.40 118.61 1ngx s VAL 182 Ca -0.11 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 1ngx s VAL 182 Cb -0.13 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 34.58 1ngx s VAL 182 CO 0.01 -0.40 0.32 0.54 -0.31 0.00 0.00 175.10 175.25 1ngx s VAL 183 N -3.34 -0.01 -0.13 1.32 0.11 -0.07 -0.38 120.40 117.90 1ngx s VAL 183 Ca 0.26 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.29 1ngx s VAL 183 Cb 0.05 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1ngx s VAL 183 CO 0.08 0.01 0.10 0.42 -3.33 0.00 0.00 175.10 172.38 1ngx s THR 184 N 0.50 5.12 0.12 5.04 -4.23 -1.04 -1.80 115.64 119.35 1ngx s THR 184 Ca -0.03 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1ngx s THR 184 Cb -0.04 -3.24 -0.02 0.00 1.34 0.00 0.00 72.50 70.54 1ngx s THR 184 CO -0.03 0.57 0.18 0.68 -0.54 0.00 0.00 174.62 175.49 1ngx s VAL 185 N -0.63 0.11 0.24 2.29 -7.23 0.00 -4.69 120.40 110.49 1ngx s VAL 185 Ca 0.12 -1.48 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 1ngx s VAL 185 Cb -0.12 -1.71 -0.12 0.00 0.56 0.00 0.00 36.38 35.00 1ngx s VAL 185 CO 0.02 -0.50 1.68 -2.65 -0.31 0.00 0.00 175.10 173.34 1ngx n PRO 186 N -0.11 2.75 0.33 4.82 -0.02 -1.26 -0.25 135.00 141.26 1ngx n PRO 186 Ca -0.10 0.99 0.20 0.00 -2.02 0.00 0.00 63.50 62.57 1ngx n PRO 186 Cb 0.63 -2.81 1.09 0.00 -0.02 0.00 0.00 33.50 32.39 1ngx n PRO 186 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ngx h SER 187 N 5.99 0.00 1.78 2.55 0.02 -1.60 -0.94 113.55 121.35 1ngx h SER 187 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1ngx h SER 187 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1ngx h SER 187 CO 0.89 0.00 -0.22 0.77 -1.14 0.00 0.00 176.83 177.14 1ngx h SER 188 N 0.00 0.00 1.32 3.07 4.64 -1.82 -3.24 113.55 117.51 1ngx h SER 188 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ngx h SER 188 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1ngx h SER 188 CO -0.00 0.08 -0.06 -1.20 -0.87 0.00 0.00 176.83 174.78 1ngx n SER 189 N -3.06 0.65 0.33 4.97 7.64 -0.36 -3.71 113.62 120.08 1ngx n SER 189 Ca 0.03 0.51 0.21 0.00 1.01 0.00 0.00 58.87 60.63 1ngx n SER 189 Cb 0.57 -0.64 1.15 0.00 -1.01 0.00 0.00 64.21 64.27 1ngx n SER 189 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ngx h LEU 190 N 0.00 0.00 -0.22 -3.43 3.38 -1.63 -0.88 115.31 112.53 1ngx h LEU 190 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ngx h LEU 190 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ngx h LEU 190 CO 0.00 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.65 1ngx n GLY 191 N -1.12 -0.93 1.50 0.83 0.00 -1.24 -4.73 105.19 99.48 1ngx n GLY 191 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ngx n GLY 191 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ngx n THR 192 N -1.14 0.54 -1.88 2.61 -1.04 -0.58 -5.09 114.28 107.70 1ngx n THR 192 Ca 0.08 0.18 -0.41 0.00 -2.04 0.00 0.00 64.05 61.86 1ngx n THR 192 Cb 0.35 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 67.79 1ngx n THR 192 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ngx s GLN 193 N -2.00 4.15 0.01 -2.82 2.00 -0.44 -5.01 119.66 115.54 1ngx s GLN 193 Ca 0.00 2.48 -0.12 0.00 -2.00 0.00 0.00 55.36 55.72 1ngx s GLN 193 Cb 0.00 -2.98 -0.05 0.00 0.80 0.00 0.00 33.01 30.78 1ngx s GLN 193 CO 0.00 -0.46 0.36 0.95 -0.50 0.00 0.00 175.29 175.64 1ngx s THR 194 N -1.13 5.12 -0.19 -0.34 -4.23 -1.26 -4.78 115.64 108.84 1ngx s THR 194 Ca 0.52 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1ngx s THR 194 Cb -0.45 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 69.80 1ngx s THR 194 CO 0.60 0.49 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.82 1ngx s TYR 195 N -1.17 1.84 -0.10 3.99 2.02 -1.26 -4.97 117.35 117.70 1ngx s TYR 195 Ca 0.25 -1.24 0.03 0.00 -0.37 0.00 0.00 57.07 55.74 1ngx s TYR 195 Cb -0.15 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1ngx s TYR 195 CO 0.14 -0.66 -0.22 0.42 -1.57 0.00 0.00 175.55 173.66 1ngx s ILE 196 N 1.59 1.89 -0.17 2.71 1.01 -1.26 -0.57 121.20 126.40 1ngx s ILE 196 Ca -0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 1ngx s ILE 196 Cb -0.16 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1ngx s ILE 196 CO -0.07 0.52 0.23 0.00 0.00 0.00 0.00 174.94 175.62 1ngx s ASN 198 N 0.33 5.80 -0.14 0.00 -0.87 0.11 -1.33 114.94 118.84 1ngx s ASN 198 Ca 0.13 -0.92 -0.05 0.00 -1.57 0.00 0.00 52.86 50.46 1ngx s ASN 198 Cb -0.12 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 39.02 1ngx s ASN 198 CO 0.02 -0.38 0.02 -0.69 -2.57 0.00 0.00 177.10 173.50 1ngx s VAL 199 N 1.59 4.43 -0.05 1.60 1.01 0.98 -1.62 120.40 128.33 1ngx s VAL 199 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1ngx s VAL 199 Cb -0.19 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1ngx s VAL 199 CO 0.07 0.53 -0.03 0.21 0.00 0.00 0.00 175.10 175.88 1ngx s ASN 200 N -0.11 1.09 -0.61 3.32 2.47 -0.78 -0.81 114.94 119.51 1ngx s ASN 200 Ca 0.05 -0.12 0.04 0.00 0.42 0.00 0.00 52.86 53.26 1ngx s ASN 200 Cb -0.12 -0.44 0.15 0.00 -1.45 0.00 0.00 41.25 39.39 1ngx s ASN 200 CO 0.02 -0.09 0.39 -2.28 -3.72 0.00 0.00 177.10 171.42 1ngx s HIS 201 N 1.18 3.25 0.27 0.43 5.65 0.80 -1.54 115.29 125.33 1ngx s HIS 201 Ca -0.07 -3.19 -0.01 0.00 0.25 0.00 0.00 55.06 52.04 1ngx s HIS 201 Cb -0.14 -2.63 0.58 0.00 -1.18 0.00 0.00 32.58 29.21 1ngx s HIS 201 CO -0.01 -0.64 1.71 -0.22 -0.65 0.00 0.00 174.74 174.93 1ngx h LYS 202 N 5.86 0.41 -1.00 2.88 1.63 -1.79 -1.82 116.57 122.74 1ngx h LYS 202 Ca 0.06 -0.02 0.25 0.00 -0.85 0.00 0.00 60.65 60.08 1ngx h LYS 202 Cb 0.82 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.27 1ngx h LYS 202 CO 0.68 0.27 0.65 -1.35 -3.45 0.00 0.00 179.45 176.26 1ngx h PRO 203 N 0.43 0.39 -0.40 1.90 0.11 -1.91 -0.22 132.00 132.30 1ngx h PRO 203 Ca 0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1ngx h PRO 203 Cb 0.81 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ngx h PRO 203 CO -0.47 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 176.45 1ngx n SER 204 N -4.57 3.14 -3.66 -2.05 3.41 -0.74 -4.96 113.62 104.19 1ngx n SER 204 Ca 0.23 -1.92 -0.27 0.00 -0.26 0.00 0.00 58.87 56.65 1ngx n SER 204 Cb 0.82 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1ngx n SER 204 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ngx n ASN 205 N 1.01 -5.42 -4.46 4.04 5.03 -0.09 -4.94 115.26 110.42 1ngx n ASN 205 Ca 0.16 -0.61 -0.36 0.00 0.87 0.00 0.00 54.58 54.63 1ngx n ASN 205 Cb 0.49 -4.32 -0.12 0.00 -1.02 0.00 0.00 39.78 34.81 1ngx n ASN 205 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ngx s THR 206 N -3.26 4.34 -0.04 3.41 2.01 -0.87 -5.00 115.64 116.23 1ngx s THR 206 Ca 0.58 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1ngx s THR 206 Cb -0.28 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 1ngx s THR 206 CO 0.72 0.35 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.30 1ngx s LYS 207 N 1.49 1.59 -0.02 4.92 1.02 -1.26 -0.14 119.74 127.35 1ngx s LYS 207 Ca 0.06 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1ngx s LYS 207 Cb -0.15 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.78 1ngx s LYS 207 CO 0.04 0.21 0.03 0.08 -0.92 0.00 0.00 175.35 174.79 1ngx s VAL 208 N 0.09 -0.02 -0.18 3.17 1.01 0.01 -5.00 120.40 119.48 1ngx s VAL 208 Ca -0.04 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1ngx s VAL 208 Cb -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1ngx s VAL 208 CO 0.02 0.03 -0.15 -1.81 0.00 0.00 0.00 175.10 173.19 1ngx s ASP 209 N 0.40 3.55 -0.12 3.32 1.01 -1.26 -0.01 116.67 123.56 1ngx s ASP 209 Ca -0.03 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.70 1ngx s ASP 209 Cb -0.05 -1.57 0.02 0.00 1.01 0.00 0.00 42.92 42.33 1ngx s ASP 209 CO -0.01 0.02 -0.15 -0.75 0.21 0.00 0.00 175.17 174.48 1ngx s LYS 210 N 1.22 2.25 -0.02 8.23 2.20 -0.44 -4.95 119.74 128.23 1ngx s LYS 210 Ca 0.03 -0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 54.81 1ngx s LYS 210 Cb -0.14 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 1ngx s LYS 210 CO -0.07 -0.10 0.83 0.21 -0.36 0.00 0.00 175.35 175.86 1ngx s LYS 211 N 1.10 4.51 -0.19 4.03 2.20 -1.26 -1.06 119.74 129.06 1ngx s LYS 211 Ca -0.04 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.69 1ngx s LYS 211 Cb -0.14 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1ngx s LYS 211 CO -0.04 0.06 -0.10 0.42 -0.36 0.00 0.00 175.35 175.33 1ngx s ILE 212 N 0.71 2.96 0.07 5.43 -1.09 0.26 -4.99 121.20 124.55 1ngx s ILE 212 Ca 0.44 -0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1ngx s ILE 212 Cb -0.20 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1ngx s ILE 212 CO 0.23 0.47 -0.03 0.68 -1.23 0.00 0.00 174.94 175.06 1ngx s VAL 213 N 1.21 0.32 0.30 2.92 -7.23 -1.26 -4.46 120.40 112.20 1ngx s VAL 213 Ca 0.02 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 1ngx s VAL 213 Cb -0.14 -1.59 -0.12 0.00 0.56 0.00 0.00 36.38 35.09 1ngx s VAL 213 CO -0.04 -0.94 1.56 -2.65 -0.31 0.00 0.00 175.10 172.72 1ngx n PRO 214 N 0.06 2.61 -2.55 4.82 -0.02 -1.26 -4.58 135.00 134.07 1ngx n PRO 214 Ca -0.13 0.93 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 1ngx n PRO 214 Cb 0.61 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1ngx n PRO 214 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1ngx s LYS 215 N -0.68 4.16 0.00 -0.52 0.00 -1.26 -5.01 119.74 116.43 1ngx s LYS 215 Ca 0.63 1.49 0.30 0.00 0.00 0.00 0.00 55.97 58.39 1ngx s LYS 215 Cb -0.51 -2.52 1.39 0.00 0.00 0.00 0.00 37.83 36.19 1ngx s LYS 215 CO 0.50 -0.14 1.94 -1.13 0.00 0.00 0.00 175.35 176.52