#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi9 s VAL 2 N 0.00 4.55 0.09 1.69 1.01 -1.26 -4.08 120.40 122.39 3gi9 s VAL 2 Ca 0.00 1.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.74 3gi9 s VAL 2 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3gi9 s VAL 2 CO 0.00 -0.15 0.26 0.00 0.00 0.00 0.00 175.10 175.20 3gi9 s GLN 3 N 3.22 0.89 -0.17 2.72 -2.07 -1.00 -5.02 119.66 118.22 3gi9 s GLN 3 Ca 0.48 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 53.20 3gi9 s GLN 3 Cb -0.17 0.37 0.04 0.00 -1.09 0.00 0.00 33.01 32.16 3gi9 s GLN 3 CO 0.10 -0.30 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.17 3gi9 s LEU 4 N -2.71 1.81 -0.21 2.60 1.43 -1.26 -2.16 118.68 118.18 3gi9 s LEU 4 Ca 0.03 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 3gi9 s LEU 4 Cb 0.03 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 3gi9 s LEU 4 CO -0.10 -0.15 0.78 -0.22 0.23 0.00 0.00 176.35 176.89 3gi9 s LEU 5 N 1.54 4.12 -0.02 1.79 0.20 0.62 -4.25 118.68 122.68 3gi9 s LEU 5 Ca 0.01 1.01 0.06 0.00 0.69 0.00 0.00 54.13 55.90 3gi9 s LEU 5 Cb -0.15 -3.12 -0.02 0.00 -0.43 0.00 0.00 46.19 42.48 3gi9 s LEU 5 CO -0.08 -0.43 -0.21 -1.10 -0.29 0.00 0.00 176.35 174.24 3gi9 s GLN 6 N 2.45 1.71 0.47 1.98 -0.21 -1.26 -1.53 119.66 123.27 3gi9 s GLN 6 Ca 0.34 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.74 3gi9 s GLN 6 Cb -0.16 -1.64 -0.07 0.00 1.00 0.00 0.00 33.01 32.14 3gi9 s GLN 6 CO 0.09 0.44 1.32 -1.25 -2.12 0.00 0.00 175.29 173.77 3gi9 s PRO 7 N -0.45 3.62 0.18 2.91 0.04 -1.26 -4.85 135.00 135.19 3gi9 s PRO 7 Ca 0.07 2.16 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 3gi9 s PRO 7 Cb -0.08 -2.52 0.08 0.00 0.04 0.00 0.00 34.50 32.02 3gi9 s PRO 7 CO -0.01 -0.78 1.70 0.78 0.04 0.00 0.00 177.00 178.73 3gi9 h GLY 8 N 2.12 1.08 -4.56 0.56 0.00 -1.95 -3.35 103.07 96.97 3gi9 h GLY 8 Ca -0.50 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.03 3gi9 h GLY 8 CO 0.60 0.63 -0.30 0.00 0.00 0.00 0.00 176.54 177.47 3gi9 s ALA 9 N -5.32 -0.74 -0.04 3.60 0.00 -1.26 -1.86 121.76 116.14 3gi9 s ALA 9 Ca -0.12 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 3gi9 s ALA 9 Cb 0.13 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3gi9 s ALA 9 CO 0.83 -0.25 0.01 -1.21 0.00 0.00 0.00 175.76 175.13 3gi9 s GLU 10 N -1.30 0.36 -0.22 0.00 0.41 -0.86 -4.68 118.70 112.42 3gi9 s GLU 10 Ca -0.13 0.12 -0.10 0.00 -0.41 0.00 0.00 54.97 54.45 3gi9 s GLU 10 Cb -0.05 -0.65 -0.05 0.00 -1.78 0.00 0.00 34.13 31.60 3gi9 s GLU 10 CO 0.04 -0.21 0.13 -1.17 -0.49 0.00 0.00 175.26 173.57 3gi9 s LEU 11 N 1.46 4.08 0.01 1.80 2.96 -1.26 -0.86 118.68 126.87 3gi9 s LEU 11 Ca -0.03 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 54.01 3gi9 s LEU 11 Cb -0.13 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 3gi9 s LEU 11 CO -0.03 0.11 -0.02 0.68 -1.32 0.00 0.00 176.35 175.77 3gi9 s VAL 12 N 0.78 0.08 0.50 1.68 -7.23 -0.82 -5.00 120.40 110.39 3gi9 s VAL 12 Ca 0.07 -0.65 -0.19 0.00 -1.81 0.00 0.00 61.98 59.40 3gi9 s VAL 12 Cb -0.13 -0.19 -0.08 0.00 0.56 0.00 0.00 36.38 36.54 3gi9 s VAL 12 CO 0.02 -0.36 1.03 -0.54 -0.31 0.00 0.00 175.10 174.95 3gi9 s LYS 13 N -1.04 3.76 0.30 4.82 1.02 -1.23 -1.27 119.74 126.10 3gi9 s LYS 13 Ca -0.11 1.30 -0.29 0.00 0.02 0.00 0.00 55.97 56.89 3gi9 s LYS 13 Cb -0.07 -2.09 -0.13 0.00 -0.52 0.00 0.00 37.83 35.02 3gi9 s LYS 13 CO -0.01 -0.45 1.35 -2.30 -0.92 0.00 0.00 175.35 173.02 3gi9 n PRO 14 N -1.13 2.11 0.00 -1.68 -0.02 -1.26 -2.22 135.00 130.81 3gi9 n PRO 14 Ca 0.09 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3gi9 n PRO 14 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3gi9 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi9 n GLY 15 N 1.37 2.63 2.02 -1.23 0.00 -0.47 -4.88 105.19 104.63 3gi9 n GLY 15 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 3gi9 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi9 n ALA 16 N -0.78 -0.43 -2.49 4.61 0.00 -0.94 -4.21 120.51 116.26 3gi9 n ALA 16 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 3gi9 n ALA 16 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.38 3gi9 n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gi9 s SER 17 N -3.37 1.92 0.04 0.00 0.01 -1.26 -2.21 113.70 108.84 3gi9 s SER 17 Ca 0.37 -0.81 0.06 0.00 1.31 0.00 0.00 55.95 56.88 3gi9 s SER 17 Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 3gi9 s SER 17 CO 0.26 -0.16 -0.17 0.68 0.41 0.00 0.00 173.24 174.26 3gi9 s VAL 18 N -2.18 1.33 -0.51 3.43 -7.23 -1.11 -5.00 120.40 109.13 3gi9 s VAL 18 Ca 0.08 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.07 3gi9 s VAL 18 Cb -0.05 -1.18 0.13 0.00 0.56 0.00 0.00 36.38 35.84 3gi9 s VAL 18 CO 0.03 0.07 0.38 -0.75 -0.31 0.00 0.00 175.10 174.51 3gi9 s LYS 19 N -1.20 2.54 0.07 4.82 2.20 -1.26 -1.27 119.74 125.64 3gi9 s LYS 19 Ca 0.04 -1.90 -0.30 0.00 -0.36 0.00 0.00 55.97 53.44 3gi9 s LYS 19 Cb -0.08 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 3gi9 s LYS 19 CO 0.02 -1.19 1.03 -0.51 -0.36 0.00 0.00 175.35 174.33 3gi9 s LEU 20 N 1.11 4.42 0.01 5.43 1.43 0.68 -4.87 118.68 126.90 3gi9 s LEU 20 Ca 0.08 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 55.01 3gi9 s LEU 20 Cb -0.24 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3gi9 s LEU 20 CO -0.02 -0.24 0.06 -0.94 0.23 0.00 0.00 176.35 175.45 3gi9 s SER 21 N 0.58 5.51 -0.30 2.29 1.04 -1.26 -0.38 113.70 121.18 3gi9 s SER 21 Ca 0.51 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.00 3gi9 s SER 21 Cb -0.24 -1.53 0.10 0.00 0.10 0.00 0.00 66.02 64.45 3gi9 s SER 21 CO 0.30 0.25 0.10 0.00 0.98 0.00 0.00 173.24 174.87 3gi9 s LYS 23 N 1.78 4.12 0.04 0.00 1.02 -0.58 -0.58 119.74 125.55 3gi9 s LYS 23 Ca 0.09 0.58 -0.08 0.00 0.02 0.00 0.00 55.97 56.58 3gi9 s LYS 23 Cb -0.17 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 3gi9 s LYS 23 CO -0.28 -0.40 0.32 0.00 -0.92 0.00 0.00 175.35 174.07 3gi9 s ALA 24 N 2.46 3.80 0.10 5.17 0.00 -0.17 -0.27 121.76 132.86 3gi9 s ALA 24 Ca 0.27 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 3gi9 s ALA 24 Cb -0.15 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.85 3gi9 s ALA 24 CO 0.09 0.62 0.35 -1.54 0.00 0.00 0.00 175.76 175.28 3gi9 s SER 25 N -1.76 -0.16 0.00 0.00 1.04 -0.92 -4.84 113.70 107.06 3gi9 s SER 25 Ca 0.30 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3gi9 s SER 25 Cb -0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3gi9 s SER 25 CO 0.17 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3gi9 n GLY 26 N -0.02 0.84 3.54 7.32 0.00 -1.26 -2.38 105.19 113.23 3gi9 n GLY 26 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3gi9 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gi9 s TYR 27 N -2.38 0.00 -0.59 1.61 1.13 -1.26 -4.68 117.35 111.17 3gi9 s TYR 27 Ca 0.00 -0.36 -0.28 0.00 -1.41 0.00 0.00 57.07 55.02 3gi9 s TYR 27 Cb 0.00 0.34 0.02 0.00 -1.10 0.00 0.00 41.96 41.22 3gi9 s TYR 27 CO 0.00 -0.93 1.32 0.95 -2.51 0.00 0.00 175.55 174.37 3gi9 s THR 28 N -3.91 3.86 0.29 -3.49 -4.23 -1.26 -4.90 115.64 102.00 3gi9 s THR 28 Ca 0.12 0.72 0.04 0.00 -1.18 0.00 0.00 61.69 61.39 3gi9 s THR 28 Cb -0.01 -4.61 0.29 0.00 1.34 0.00 0.00 72.50 69.51 3gi9 s THR 28 CO -0.00 -1.33 1.71 0.15 -0.54 0.00 0.00 174.62 174.61 3gi9 h PHE 29 N 10.38 0.71 -0.00 3.99 3.57 -1.95 -2.20 116.94 131.44 3gi9 h PHE 29 Ca -0.26 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3gi9 h PHE 29 Cb 1.07 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3gi9 h PHE 29 CO 1.05 -0.01 -0.06 0.25 -2.23 0.00 0.00 178.31 177.31 3gi9 n THR 30 N -5.01 0.00 0.89 4.41 -2.24 -1.26 -3.43 114.28 107.64 3gi9 n THR 30 Ca 0.22 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3gi9 n THR 30 Cb 0.65 -0.25 0.18 0.00 -2.10 0.00 0.00 70.33 68.80 3gi9 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gi9 n SER 31 N -1.02 0.59 -4.35 3.42 7.64 -0.83 -4.19 113.62 114.88 3gi9 n SER 31 Ca 0.16 -0.26 -0.28 0.00 1.01 0.00 0.00 58.87 59.50 3gi9 n SER 31 Cb 0.25 0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 63.69 3gi9 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gi9 s TYR 32 N -3.05 2.16 0.78 1.43 1.51 -1.22 -4.11 117.35 114.84 3gi9 s TYR 32 Ca 0.09 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 3gi9 s TYR 32 Cb 0.16 -1.20 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 3gi9 s TYR 32 CO 0.73 0.25 1.15 0.91 -1.11 0.00 0.00 175.55 177.49 3gi9 n TRP 33 N 1.17 1.19 -4.20 2.71 7.02 0.11 -4.46 117.44 120.98 3gi9 n TRP 33 Ca -0.18 0.40 -0.33 0.00 -1.02 0.00 0.00 57.50 56.37 3gi9 n TRP 33 Cb 0.53 -2.12 -0.15 0.00 -2.42 0.00 0.00 31.31 27.15 3gi9 n TRP 33 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 3gi9 s MET 34 N -3.87 3.12 0.24 -0.99 1.75 -0.65 -2.25 119.30 116.66 3gi9 s MET 34 Ca 0.74 -0.77 0.06 0.00 -1.25 0.00 0.00 55.69 54.47 3gi9 s MET 34 Cb -0.31 -2.67 -0.03 0.00 2.84 0.00 0.00 34.83 34.66 3gi9 s MET 34 CO 0.50 -0.15 0.29 0.71 -0.65 0.00 0.00 175.02 175.72 3gi9 s TYR 35 N 1.20 3.31 0.01 4.11 2.02 0.51 -1.19 117.35 127.33 3gi9 s TYR 35 Ca 0.02 -0.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.71 3gi9 s TYR 35 Cb -0.14 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3gi9 s TYR 35 CO -0.07 0.48 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.67 3gi9 s TRP 36 N -2.02 1.15 -0.03 2.71 0.52 -0.99 -0.87 118.94 119.41 3gi9 s TRP 36 Ca 0.33 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.19 3gi9 s TRP 36 Cb -0.09 -0.71 0.01 0.00 -1.15 0.00 0.00 33.47 31.54 3gi9 s TRP 36 CO 0.27 0.00 -0.04 0.08 0.02 0.00 0.00 176.95 177.28 3gi9 s VAL 37 N -0.57 0.46 -0.16 4.03 1.01 0.88 -0.23 120.40 125.82 3gi9 s VAL 37 Ca 0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3gi9 s VAL 37 Cb -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3gi9 s VAL 37 CO 0.00 0.18 0.08 -0.75 0.00 0.00 0.00 175.10 174.61 3gi9 s LYS 38 N 0.55 3.73 -0.16 2.72 2.20 0.15 -0.28 119.74 128.66 3gi9 s LYS 38 Ca -0.07 -0.29 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 3gi9 s LYS 38 Cb -0.10 -3.17 0.05 0.00 -1.51 0.00 0.00 37.83 33.10 3gi9 s LYS 38 CO -0.00 0.46 0.01 -1.14 -0.36 0.00 0.00 175.35 174.32 3gi9 s GLN 39 N -0.14 0.77 0.38 4.03 0.74 -0.20 -0.74 119.66 124.49 3gi9 s GLN 39 Ca 0.08 -0.33 -0.10 0.00 0.05 0.00 0.00 55.36 55.06 3gi9 s GLN 39 Cb -0.12 -1.85 -0.07 0.00 1.10 0.00 0.00 33.01 32.07 3gi9 s GLN 39 CO 0.01 -0.54 0.74 1.03 -0.55 0.00 0.00 175.29 175.98 3gi9 s ARG 40 N 1.85 3.79 0.15 1.67 0.52 -1.26 -1.39 118.95 124.27 3gi9 s ARG 40 Ca 0.01 0.44 -0.33 0.00 -0.52 0.00 0.00 55.73 55.32 3gi9 s ARG 40 Cb -0.16 -2.43 -0.13 0.00 0.52 0.00 0.00 34.95 32.75 3gi9 s ARG 40 CO -0.07 0.02 1.66 -2.30 0.02 0.00 0.00 175.30 174.63 3gi9 n PRO 41 N -1.12 2.36 -1.13 3.54 -0.02 -1.26 -1.40 135.00 135.96 3gi9 n PRO 41 Ca 0.02 0.85 -0.05 0.00 -2.02 0.00 0.00 63.50 62.31 3gi9 n PRO 41 Cb 0.54 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 3gi9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi9 n GLY 42 N 3.70 0.70 3.58 -1.23 0.00 -1.26 -5.02 105.19 105.67 3gi9 n GLY 42 Ca 0.17 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 3gi9 n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi9 s GLN 43 N -1.87 1.91 0.00 1.61 -0.21 -0.50 -5.16 119.66 115.45 3gi9 s GLN 43 Ca 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.26 3gi9 s GLN 43 Cb 0.00 -1.25 0.00 0.00 1.00 0.00 0.00 33.01 32.76 3gi9 s GLN 43 CO 0.00 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 3gi9 n GLY 44 N -0.94 -0.38 3.70 3.09 0.00 -1.26 -4.70 105.19 104.70 3gi9 n GLY 44 Ca -0.07 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 3gi9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gi9 s LEU 45 N 0.00 3.71 -0.10 0.99 1.43 -1.26 -4.32 118.68 119.12 3gi9 s LEU 45 Ca 0.00 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3gi9 s LEU 45 Cb 0.00 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3gi9 s LEU 45 CO 0.00 0.35 -0.11 -0.70 0.23 0.00 0.00 176.35 176.12 3gi9 s GLU 46 N -0.71 1.81 -0.32 1.70 2.12 0.08 -4.97 118.70 118.40 3gi9 s GLU 46 Ca 0.11 -0.40 -0.27 0.00 0.36 0.00 0.00 54.97 54.77 3gi9 s GLU 46 Cb -0.12 -1.65 0.01 0.00 0.26 0.00 0.00 34.13 32.63 3gi9 s GLU 46 CO 0.02 -0.13 1.00 -0.46 -0.54 0.00 0.00 175.26 175.15 3gi9 s TRP 47 N 1.21 3.15 -0.09 5.30 -0.00 -1.26 0.32 118.94 127.56 3gi9 s TRP 47 Ca -0.03 1.06 -0.27 0.00 -0.00 0.00 0.00 56.10 56.86 3gi9 s TRP 47 Cb -0.14 -3.59 -0.25 0.00 -0.00 0.00 0.00 33.47 29.49 3gi9 s TRP 47 CO -0.03 -0.73 0.91 0.82 -0.00 0.00 0.00 176.95 177.91 3gi9 h ILE 48 N 5.72 1.66 0.00 5.86 2.04 -0.97 -3.41 117.51 128.40 3gi9 h ILE 48 Ca -0.22 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3gi9 h ILE 48 Cb 1.07 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 3gi9 h ILE 48 CO 1.00 0.57 0.00 0.61 0.00 0.00 0.00 178.15 180.32 3gi9 n GLY 49 N 1.31 -1.38 3.07 5.37 0.00 -1.23 -0.45 105.19 111.89 3gi9 n GLY 49 Ca -0.10 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 3gi9 n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gi9 s GLU 50 N -1.06 0.56 -0.02 1.61 -1.05 0.26 -2.35 118.70 116.65 3gi9 s GLU 50 Ca 0.00 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 3gi9 s GLU 50 Cb 0.00 -0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.63 3gi9 s GLU 50 CO 0.00 -0.02 0.02 -1.50 0.95 0.00 0.00 175.26 174.71 3gi9 s ILE 51 N -2.36 0.02 -0.53 1.83 2.07 -0.33 -2.15 121.20 119.75 3gi9 s ILE 51 Ca -0.03 0.14 -0.25 0.00 -1.41 0.00 0.00 60.65 59.10 3gi9 s ILE 51 Cb -0.03 -0.13 0.04 0.00 0.13 0.00 0.00 42.46 42.47 3gi9 s ILE 51 CO -0.03 0.09 0.96 -0.62 -1.91 0.00 0.00 174.94 173.44 3gi9 s ASP 52 N 0.87 6.39 0.39 4.50 3.68 -0.10 -1.63 116.67 130.76 3gi9 s ASP 52 Ca -0.08 -0.20 0.27 0.00 2.13 0.00 0.00 52.55 54.67 3gi9 s ASP 52 Cb -0.11 -2.45 1.39 0.00 -1.45 0.00 0.00 42.92 40.30 3gi9 s ASP 52 CO -0.02 -1.21 1.82 -0.65 0.13 0.00 0.00 175.17 175.24 3gi9 h PRO 53 N 9.28 0.00 0.03 4.34 0.11 -1.82 0.16 132.00 144.10 3gi9 h PRO 53 Ca -0.26 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.70 3gi9 h PRO 53 Cb 1.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gi9 h PRO 53 CO 1.08 0.00 -0.64 0.66 -0.21 0.00 0.00 178.00 178.89 3gi9 h SER 54 N 0.00 0.50 0.00 -2.05 4.64 -1.91 -3.39 113.55 111.35 3gi9 h SER 54 Ca 0.00 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 3gi9 h SER 54 Cb 0.10 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3gi9 h SER 54 CO 0.00 1.25 0.00 -0.90 -0.87 0.00 0.00 176.83 176.31 3gi9 n ASP 55 N -4.21 1.42 -1.50 4.97 5.68 -1.15 -5.01 116.55 116.75 3gi9 n ASP 55 Ca -0.11 -1.57 -0.17 0.00 -0.50 0.00 0.00 54.79 52.44 3gi9 n ASP 55 Cb 0.70 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.63 3gi9 n ASP 55 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3gi9 n SER 56 N -0.28 -5.04 -4.73 -1.12 7.64 0.54 -4.97 113.62 105.66 3gi9 n SER 56 Ca 0.00 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.75 3gi9 n SER 56 Cb 0.20 -4.07 -0.03 0.00 -1.01 0.00 0.00 64.21 59.31 3gi9 n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gi9 s TYR 57 N -2.70 3.05 0.15 1.43 5.04 -1.22 -4.81 117.35 118.29 3gi9 s TYR 57 Ca 0.00 0.79 0.10 0.00 -2.44 0.00 0.00 57.07 55.52 3gi9 s TYR 57 Cb 0.00 -3.88 -0.04 0.00 0.35 0.00 0.00 41.96 38.39 3gi9 s TYR 57 CO 0.00 -3.10 -0.23 0.95 -1.34 0.00 0.00 175.55 171.84 3gi9 s THR 58 N 0.70 2.05 -0.09 4.34 -4.23 -1.26 -0.93 115.64 116.22 3gi9 s THR 58 Ca 0.66 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 3gi9 s THR 58 Cb -0.43 -1.88 0.05 0.00 1.34 0.00 0.00 72.50 71.58 3gi9 s THR 58 CO 0.36 -0.08 0.20 0.21 -0.54 0.00 0.00 174.62 174.76 3gi9 s ASN 59 N -2.29 0.13 0.07 3.99 2.47 -0.91 -5.00 114.94 113.39 3gi9 s ASN 59 Ca 0.14 0.43 0.05 0.00 0.42 0.00 0.00 52.86 53.90 3gi9 s ASN 59 Cb -0.09 0.37 -0.04 0.00 -1.45 0.00 0.00 41.25 40.04 3gi9 s ASN 59 CO 0.07 -0.19 -0.03 -0.31 -3.72 0.00 0.00 177.10 172.91 3gi9 s TYR 60 N 1.69 2.92 0.11 0.43 2.02 -1.26 -0.58 117.35 122.68 3gi9 s TYR 60 Ca -0.04 -0.05 -0.31 0.00 -0.37 0.00 0.00 57.07 56.29 3gi9 s TYR 60 Cb -0.11 -1.53 -0.08 0.00 -0.40 0.00 0.00 41.96 39.83 3gi9 s TYR 60 CO -0.07 0.45 1.46 1.21 -1.57 0.00 0.00 175.55 177.03 3gi9 s ASN 61 N -2.09 6.75 0.37 2.29 3.84 0.41 -4.92 114.94 121.58 3gi9 s ASN 61 Ca 0.23 2.38 0.16 0.00 0.21 0.00 0.00 52.86 55.84 3gi9 s ASN 61 Cb -0.11 -2.58 1.04 0.00 -0.55 0.00 0.00 41.25 39.04 3gi9 s ASN 61 CO 0.15 -0.73 1.74 -0.61 -2.79 0.00 0.00 177.10 174.86 3gi9 h GLN 62 N 7.13 0.43 0.00 0.43 5.75 -1.94 0.14 115.11 127.05 3gi9 h GLN 62 Ca -0.42 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3gi9 h GLN 62 Cb 1.20 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.66 3gi9 h GLN 62 CO 0.89 0.29 0.00 -0.91 -2.65 0.00 0.00 178.83 176.44 3gi9 h ASN 63 N 0.44 0.00 -0.03 -0.69 2.35 -1.94 -2.66 115.58 113.06 3gi9 h ASN 63 Ca 0.63 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 3gi9 h ASN 63 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.84 3gi9 h ASN 63 CO -0.38 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 175.89 3gi9 n PHE 64 N -2.52 0.03 -1.73 1.19 3.72 0.48 -4.90 117.46 113.74 3gi9 n PHE 64 Ca -0.01 -0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 56.72 3gi9 n PHE 64 Cb 0.08 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3gi9 n PHE 64 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gi9 s LYS 65 N -0.56 4.15 0.00 -1.08 3.01 -1.00 -1.02 119.74 123.23 3gi9 s LYS 65 Ca 0.03 2.55 0.00 0.00 -1.01 0.00 0.00 55.97 57.54 3gi9 s LYS 65 Cb 0.02 -4.08 0.00 0.00 -1.01 0.00 0.00 37.83 32.75 3gi9 s LYS 65 CO 0.02 -0.93 0.00 0.41 0.51 0.00 0.00 175.35 175.36 3gi9 n GLY 66 N 4.45 2.02 0.13 -3.33 0.00 -1.26 -4.85 105.19 102.36 3gi9 n GLY 66 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3gi9 n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gi9 n LYS 67 N -2.00 0.65 -5.08 1.61 3.00 -0.19 -4.79 118.16 111.36 3gi9 n LYS 67 Ca 0.00 0.30 -0.31 0.00 -0.00 0.00 0.00 58.31 58.30 3gi9 n LYS 67 Cb 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 35.03 33.27 3gi9 n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gi9 s ALA 68 N -2.49 2.28 -0.10 3.14 0.00 -0.78 -0.81 121.76 123.00 3gi9 s ALA 68 Ca -0.31 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.51 3gi9 s ALA 68 Cb 0.09 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3gi9 s ALA 68 CO 0.62 0.54 -0.16 0.99 0.00 0.00 0.00 175.76 177.75 3gi9 s THR 69 N -0.71 1.49 -0.19 0.00 2.01 0.28 -4.84 115.64 113.67 3gi9 s THR 69 Ca 0.11 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 3gi9 s THR 69 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3gi9 s THR 69 CO 0.01 0.44 0.08 -0.76 -0.69 0.00 0.00 174.62 173.69 3gi9 s LEU 70 N 0.83 3.87 0.14 4.42 1.43 -1.26 -0.50 118.68 127.61 3gi9 s LEU 70 Ca -0.10 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3gi9 s LEU 70 Cb -0.15 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3gi9 s LEU 70 CO 0.01 0.15 -0.02 0.42 0.23 0.00 0.00 176.35 177.14 3gi9 s THR 71 N 0.52 0.64 0.19 5.49 -4.23 -0.89 -5.00 115.64 112.36 3gi9 s THR 71 Ca 0.04 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.65 3gi9 s THR 71 Cb -0.12 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 3gi9 s THR 71 CO 0.01 -0.65 -0.09 0.68 -0.54 0.00 0.00 174.62 174.03 3gi9 s VAL 72 N -3.67 1.32 -0.19 2.29 -7.23 -1.26 -0.51 120.40 111.15 3gi9 s VAL 72 Ca 0.19 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 3gi9 s VAL 72 Cb 0.06 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 35.00 3gi9 s VAL 72 CO 0.00 -0.59 -0.12 -0.62 -0.31 0.00 0.00 175.10 173.46 3gi9 s ASP 73 N -3.25 3.24 0.07 4.85 2.15 -0.02 -4.98 116.67 118.73 3gi9 s ASP 73 Ca 0.21 -0.79 -0.16 0.00 0.43 0.00 0.00 52.55 52.23 3gi9 s ASP 73 Cb 0.02 -1.24 -0.14 0.00 -0.30 0.00 0.00 42.92 41.27 3gi9 s ASP 73 CO 0.05 -0.12 1.32 0.11 -0.17 0.00 0.00 175.17 176.35 3gi9 h LYS 74 N 7.99 0.60 -0.69 4.34 1.57 -1.88 -2.20 116.57 126.29 3gi9 h LYS 74 Ca -0.31 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.06 3gi9 h LYS 74 Cb 1.11 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3gi9 h LYS 74 CO 0.49 1.02 0.39 0.66 -0.57 0.00 0.00 179.45 181.45 3gi9 h SER 75 N 0.26 0.85 -0.05 0.86 4.64 -1.97 -2.50 113.55 115.64 3gi9 h SER 75 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3gi9 h SER 75 Cb 1.02 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3gi9 h SER 75 CO 0.09 0.68 0.00 -1.54 -0.87 0.00 0.00 176.83 175.19 3gi9 n SER 76 N -4.52 1.00 -4.07 4.97 3.41 -1.23 -4.94 113.62 108.23 3gi9 n SER 76 Ca 0.06 -1.43 -0.32 0.00 -0.26 0.00 0.00 58.87 56.92 3gi9 n SER 76 Cb 0.08 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3gi9 n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gi9 n SER 77 N -0.18 -2.70 -4.25 4.04 7.64 -0.94 -4.74 113.62 112.48 3gi9 n SER 77 Ca 0.19 -0.96 -0.32 0.00 1.01 0.00 0.00 58.87 58.79 3gi9 n SER 77 Cb 0.25 -3.10 -0.17 0.00 -1.01 0.00 0.00 64.21 60.18 3gi9 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3gi9 s THR 78 N -3.49 2.13 -0.09 0.44 2.01 -0.87 -1.00 115.64 114.77 3gi9 s THR 78 Ca 0.50 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3gi9 s THR 78 Cb -0.27 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 3gi9 s THR 78 CO 0.89 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 175.44 3gi9 s ALA 79 N 0.10 3.51 0.06 7.40 0.00 0.26 -0.84 121.76 132.24 3gi9 s ALA 79 Ca -0.11 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.18 3gi9 s ALA 79 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 3gi9 s ALA 79 CO 0.06 0.61 -0.24 -0.06 0.00 0.00 0.00 175.76 176.12 3gi9 s PHE 80 N -0.95 2.13 -0.16 0.00 0.08 0.34 0.54 117.98 119.95 3gi9 s PHE 80 Ca 0.14 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3gi9 s PHE 80 Cb -0.12 -1.25 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3gi9 s PHE 80 CO 0.04 0.15 -0.12 1.41 -0.10 0.00 0.00 175.22 176.59 3gi9 s MET 81 N -1.36 2.13 -0.15 0.44 -2.45 0.49 -2.08 119.30 116.32 3gi9 s MET 81 Ca 0.10 -0.60 -0.16 0.00 -1.25 0.00 0.00 55.69 53.78 3gi9 s MET 81 Cb -0.10 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.81 3gi9 s MET 81 CO 0.03 -0.29 0.41 -1.14 1.05 0.00 0.00 175.02 175.07 3gi9 s GLN 82 N 1.49 4.29 -0.18 4.11 0.74 0.34 -0.23 119.66 130.22 3gi9 s GLN 82 Ca 0.03 0.30 -0.03 0.00 0.05 0.00 0.00 55.36 55.71 3gi9 s GLN 82 Cb -0.14 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 3gi9 s GLN 82 CO -0.10 0.14 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.22 3gi9 s LEU 83 N 0.71 3.04 0.11 3.68 1.43 -0.39 -0.55 118.68 126.70 3gi9 s LEU 83 Ca 0.22 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3gi9 s LEU 83 Cb -0.14 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3gi9 s LEU 83 CO 0.08 0.10 0.29 -0.44 0.23 0.00 0.00 176.35 176.60 3gi9 s SER 84 N 0.78 6.41 -0.43 2.29 0.01 0.01 -2.76 113.70 120.00 3gi9 s SER 84 Ca -0.02 0.39 -0.16 0.00 1.31 0.00 0.00 55.95 57.46 3gi9 s SER 84 Cb -0.15 -2.01 0.02 0.00 0.21 0.00 0.00 66.02 64.10 3gi9 s SER 84 CO 0.02 0.10 0.45 -1.54 0.41 0.00 0.00 173.24 172.68 3gi9 n SER 85 N 0.08 -3.67 -4.72 2.44 3.41 -1.16 -4.81 113.62 105.20 3gi9 n SER 85 Ca -0.04 -0.37 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 3gi9 n SER 85 Cb 0.52 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 3gi9 n SER 85 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gi9 s LEU 86 N -2.75 4.39 0.00 1.04 1.43 -0.94 -4.65 118.68 117.21 3gi9 s LEU 86 Ca 0.16 1.94 0.03 0.00 -1.03 0.00 0.00 54.13 55.23 3gi9 s LEU 86 Cb -0.02 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.65 3gi9 s LEU 86 CO 0.63 -0.38 0.21 0.35 0.23 0.00 0.00 176.35 177.40 3gi9 n THR 87 N 3.64 0.00 0.12 5.49 -2.24 -1.26 -1.37 114.28 118.66 3gi9 n THR 87 Ca 0.07 -2.22 0.09 0.00 -2.27 0.00 0.00 64.05 59.72 3gi9 n THR 87 Cb 0.47 0.20 0.57 0.00 -2.10 0.00 0.00 70.33 69.48 3gi9 n THR 87 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3gi9 h SER 88 N 0.90 0.17 0.24 3.42 0.87 -1.97 -1.92 113.55 115.26 3gi9 h SER 88 Ca -0.37 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 3gi9 h SER 88 Cb 1.24 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3gi9 h SER 88 CO 0.60 0.12 -0.14 1.56 -0.53 0.00 0.00 176.83 178.43 3gi9 h GLN 89 N 0.19 0.00 -0.00 2.24 1.08 -1.97 -2.99 115.11 113.66 3gi9 h GLN 89 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3gi9 h GLN 89 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3gi9 h GLN 89 CO -0.02 0.14 -0.25 -0.25 -0.95 0.00 0.00 178.83 177.51 3gi9 n ASP 90 N -4.00 0.31 -4.62 1.46 8.00 -0.72 -4.79 116.55 112.18 3gi9 n ASP 90 Ca -0.02 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.04 3gi9 n ASP 90 Cb 0.23 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 3gi9 n ASP 90 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gi9 s SER 91 N -2.92 6.68 0.10 -2.24 1.04 -1.13 -4.86 113.70 110.36 3gi9 s SER 91 Ca 0.15 1.05 -0.25 0.00 0.48 0.00 0.00 55.95 57.38 3gi9 s SER 91 Cb 0.18 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.85 3gi9 s SER 91 CO 0.60 -1.10 1.14 0.00 0.98 0.00 0.00 173.24 174.85 3gi9 s ALA 92 N 4.37 -1.94 -0.18 5.32 0.00 0.00 -4.84 121.76 124.50 3gi9 s ALA 92 Ca 0.54 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.14 3gi9 s ALA 92 Cb -0.14 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3gi9 s ALA 92 CO 0.24 -1.10 0.51 0.08 0.00 0.00 0.00 175.76 175.49 3gi9 s VAL 93 N -2.12 5.13 -0.24 0.00 1.01 -0.49 0.58 120.40 124.27 3gi9 s VAL 93 Ca 0.25 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 3gi9 s VAL 93 Cb -0.02 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3gi9 s VAL 93 CO 0.03 0.22 -0.02 -0.31 0.00 0.00 0.00 175.10 175.02 3gi9 s TYR 94 N 1.35 3.02 -0.12 5.22 2.02 0.56 -1.03 117.35 128.36 3gi9 s TYR 94 Ca 0.25 -1.05 -0.09 0.00 -0.37 0.00 0.00 57.07 55.80 3gi9 s TYR 94 Cb -0.15 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3gi9 s TYR 94 CO 0.10 -0.58 0.19 -0.06 -1.57 0.00 0.00 175.55 173.62 3gi9 s PHE 95 N 1.46 3.57 0.05 2.71 0.08 0.62 -1.18 117.98 125.29 3gi9 s PHE 95 Ca 0.04 0.56 -0.05 0.00 0.12 0.00 0.00 56.93 57.60 3gi9 s PHE 95 Cb -0.15 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3gi9 s PHE 95 CO -0.02 0.61 0.28 0.00 -0.10 0.00 0.00 175.22 175.99 3gi9 s ALA 97 N -1.42 -0.89 0.47 0.00 0.00 -0.05 -1.07 121.76 118.80 3gi9 s ALA 97 Ca 0.32 1.15 -0.21 0.00 0.00 0.00 0.00 51.96 53.21 3gi9 s ALA 97 Cb -0.13 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 3gi9 s ALA 97 CO 0.20 -0.20 1.06 0.50 0.00 0.00 0.00 175.76 177.32 3gi9 s ARG 98 N 0.62 3.85 -0.11 0.00 3.52 0.33 -0.36 118.95 126.80 3gi9 s ARG 98 Ca -0.03 1.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.96 3gi9 s ARG 98 Cb -0.05 -2.22 0.05 0.00 -1.56 0.00 0.00 34.95 31.18 3gi9 s ARG 98 CO -0.04 -0.40 0.24 0.45 -0.81 0.00 0.00 175.30 174.74 3gi9 s SER 99 N -1.82 0.04 0.28 -2.12 0.15 -0.95 -2.79 113.70 106.49 3gi9 s SER 99 Ca 0.65 0.53 -0.29 0.00 0.70 0.00 0.00 55.95 57.54 3gi9 s SER 99 Cb -0.19 0.51 -0.13 0.00 -1.71 0.00 0.00 66.02 64.49 3gi9 s SER 99 CO 0.23 -0.20 1.20 -2.65 1.20 0.00 0.00 173.24 173.02 3gi9 n PRO 100 N 4.74 1.73 -0.05 5.44 -0.02 -1.26 0.08 135.00 145.65 3gi9 n PRO 100 Ca -0.17 0.61 -0.05 0.00 -2.02 0.00 0.00 63.50 61.87 3gi9 n PRO 100 Cb 0.51 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3gi9 n PRO 100 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3gi9 n HIS 101 N 0.74 0.12 -2.92 6.00 -0.00 -1.26 -4.30 115.22 113.59 3gi9 n HIS 101 Ca 0.09 0.05 -0.11 0.00 0.46 0.00 0.00 57.72 58.21 3gi9 n HIS 101 Cb 0.32 -0.36 0.01 0.00 -0.12 0.00 0.00 29.99 29.85 3gi9 n HIS 101 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 3gi9 n TYR 102 N -3.70 -3.41 -2.05 1.57 4.19 -1.26 -4.85 117.16 107.65 3gi9 n TYR 102 Ca -0.08 1.39 -0.40 0.00 3.31 0.00 0.00 57.90 62.12 3gi9 n TYR 102 Cb 0.29 -3.80 -0.01 0.00 0.49 0.00 0.00 39.34 36.30 3gi9 n TYR 102 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 3gi9 s TYR 103 N -2.41 2.91 -0.16 2.98 1.51 -1.26 -3.44 117.35 117.48 3gi9 s TYR 103 Ca 0.25 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 3gi9 s TYR 103 Cb -0.06 -3.73 0.00 0.00 -0.11 0.00 0.00 41.96 38.06 3gi9 s TYR 103 CO 0.78 -2.10 0.00 0.41 -1.11 0.00 0.00 175.55 173.53 3gi9 n GLY 104 N 0.71 0.48 3.48 0.71 0.00 -1.26 -5.03 105.19 104.27 3gi9 n GLY 104 Ca 0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 3gi9 n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gi9 s THR 105 N -2.06 1.32 -2.67 2.61 -1.32 -1.22 -5.05 115.64 107.25 3gi9 s THR 105 Ca 0.00 -2.00 0.26 0.00 -1.21 0.00 0.00 61.69 58.74 3gi9 s THR 105 Cb 0.00 -2.83 0.41 0.00 -1.51 0.00 0.00 72.50 68.57 3gi9 s THR 105 CO 0.00 -0.00 1.55 0.35 -2.21 0.00 0.00 174.62 174.30 3gi9 n THR 106 N -0.73 0.02 -2.59 5.08 -2.24 -1.26 -4.93 114.28 107.64 3gi9 n THR 106 Ca -0.03 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 3gi9 n THR 106 Cb 0.67 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3gi9 n THR 106 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3gi9 s TYR 107 N -1.98 3.32 0.09 4.78 2.02 -1.26 -5.04 117.35 119.28 3gi9 s TYR 107 Ca 0.34 1.40 0.04 0.00 -0.37 0.00 0.00 57.07 58.49 3gi9 s TYR 107 Cb 0.21 -3.30 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 3gi9 s TYR 107 CO 0.32 -0.74 0.01 -0.80 -1.57 0.00 0.00 175.55 172.77 3gi9 s ASN 108 N 1.32 5.09 0.12 2.29 0.01 -1.26 -4.85 114.94 117.65 3gi9 s ASN 108 Ca 0.50 -0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.60 3gi9 s ASN 108 Cb -0.20 -1.24 -0.04 0.00 0.41 0.00 0.00 41.25 40.19 3gi9 s ASN 108 CO 0.17 0.18 -0.23 -0.31 -1.51 0.00 0.00 177.10 175.40 3gi9 s TYR 109 N -1.31 2.00 0.00 2.20 2.02 -1.26 -5.12 117.35 115.87 3gi9 s TYR 109 Ca 0.26 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3gi9 s TYR 109 Cb -0.12 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 3gi9 s TYR 109 CO 0.19 0.28 0.00 -0.35 -1.57 0.00 0.00 175.55 174.10 3gi9 n PRO 110 N 0.90 0.03 -3.59 -1.71 -0.04 -1.26 -4.79 135.00 124.53 3gi9 n PRO 110 Ca -0.18 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.88 3gi9 n PRO 110 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 3gi9 n PRO 110 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3gi9 s MET 111 N -1.63 3.19 -0.11 0.54 -1.94 -1.26 -4.39 119.30 113.70 3gi9 s MET 111 Ca 0.00 -0.84 -0.07 0.00 -1.71 0.00 0.00 55.69 53.07 3gi9 s MET 111 Cb 0.00 -3.71 -0.27 0.00 2.01 0.00 0.00 34.83 32.86 3gi9 s MET 111 CO 0.00 -0.54 0.39 0.38 -0.01 0.00 0.00 175.02 175.24 3gi9 h ASP 112 N 8.44 0.43 -3.39 3.03 2.03 -1.90 -3.47 116.42 121.59 3gi9 h ASP 112 Ca -0.30 -0.95 -0.68 0.00 -0.73 0.00 0.00 57.03 54.37 3gi9 h ASP 112 Cb 1.13 -0.14 -0.32 0.00 -0.83 0.00 0.00 39.33 39.17 3gi9 h ASP 112 CO 0.65 1.85 -0.87 -0.31 -1.03 0.00 0.00 179.24 179.53 3gi9 s TYR 113 N -2.56 2.57 0.11 4.15 1.51 -1.26 -5.01 117.35 116.85 3gi9 s TYR 113 Ca -0.22 -0.99 0.10 0.00 -1.01 0.00 0.00 57.07 54.95 3gi9 s TYR 113 Cb 0.06 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 3gi9 s TYR 113 CO 0.77 -0.39 -0.25 -1.58 -1.11 0.00 0.00 175.55 173.00 3gi9 s TRP 114 N 0.30 2.36 0.89 2.71 0.52 -1.26 -0.51 118.94 123.95 3gi9 s TRP 114 Ca -0.17 -0.36 -0.12 0.00 0.02 0.00 0.00 56.10 55.47 3gi9 s TRP 114 Cb -0.18 -1.30 0.13 0.00 -1.15 0.00 0.00 33.47 30.97 3gi9 s TRP 114 CO 0.08 0.30 1.12 0.20 0.02 0.00 0.00 176.95 178.68 3gi9 s GLY 115 N -1.87 1.58 0.00 0.98 0.00 -0.23 -4.52 107.32 103.27 3gi9 s GLY 115 Ca 0.14 -0.44 0.24 0.00 0.00 0.00 0.00 44.72 44.67 3gi9 s GLY 115 CO 0.06 0.10 1.79 -1.06 0.00 0.00 0.00 173.10 173.99 3gi9 n GLN 116 N -3.73 0.09 0.00 2.90 1.13 -1.26 -4.78 117.38 111.73 3gi9 n GLN 116 Ca 0.06 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3gi9 n GLN 116 Cb 0.58 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3gi9 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gi9 n GLY 117 N 0.96 -2.09 3.56 1.08 0.00 -1.26 -4.96 105.19 102.48 3gi9 n GLY 117 Ca 0.07 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 3gi9 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi9 s THR 118 N -1.93 5.10 -0.57 2.61 2.01 -0.32 -4.63 115.64 117.90 3gi9 s THR 118 Ca 0.00 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 3gi9 s THR 118 Cb 0.00 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.12 3gi9 s THR 118 CO 0.00 0.27 1.14 -0.94 -0.69 0.00 0.00 174.62 174.40 3gi9 s SER 119 N 1.69 6.42 -0.14 3.53 1.04 -0.78 -0.33 113.70 125.15 3gi9 s SER 119 Ca 0.07 0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.29 3gi9 s SER 119 Cb -0.16 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 3gi9 s SER 119 CO 0.09 -1.42 0.64 -0.69 0.98 0.00 0.00 173.24 172.83 3gi9 s VAL 120 N 4.73 5.05 -0.20 5.02 1.01 0.19 -2.02 120.40 134.17 3gi9 s VAL 120 Ca 0.40 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3gi9 s VAL 120 Cb -0.09 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3gi9 s VAL 120 CO 0.24 0.19 -0.15 -0.89 0.00 0.00 0.00 175.10 174.49 3gi9 s THR 121 N 1.34 2.36 -0.52 3.92 2.01 -0.04 -0.82 115.64 123.89 3gi9 s THR 121 Ca 0.32 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 3gi9 s THR 121 Cb -0.16 -2.08 0.07 0.00 0.01 0.00 0.00 72.50 70.33 3gi9 s THR 121 CO 0.13 0.41 0.64 -0.69 -0.69 0.00 0.00 174.62 174.42 3gi9 s VAL 122 N 1.30 4.87 0.12 3.82 1.01 -1.26 -1.95 120.40 128.31 3gi9 s VAL 122 Ca 0.03 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3gi9 s VAL 122 Cb -0.14 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3gi9 s VAL 122 CO -0.10 -0.87 0.34 -0.55 0.00 0.00 0.00 175.10 173.92 3gi9 s SER 123 N 2.89 -0.12 -0.47 3.32 0.15 -0.40 -4.80 113.70 114.28 3gi9 s SER 123 Ca 0.14 -0.46 -0.21 0.00 0.70 0.00 0.00 55.95 56.12 3gi9 s SER 123 Cb -0.20 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 3gi9 s SER 123 CO 0.10 -0.83 0.70 -0.55 1.20 0.00 0.00 173.24 173.86 3gi9 s SER 124 N -2.83 6.31 0.78 5.45 0.15 -1.26 -3.55 113.70 118.75 3gi9 s SER 124 Ca 0.05 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.25 3gi9 s SER 124 Cb 0.03 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 3gi9 s SER 124 CO -0.11 -0.88 0.00 0.00 1.20 0.00 0.00 173.24 173.45 3gi9 n ALA 125 N 6.46 -0.01 -2.62 5.45 0.00 -1.26 -4.99 120.51 123.55 3gi9 n ALA 125 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 3gi9 n ALA 125 Cb 0.47 -0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.96 3gi9 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gi9 n LYS 126 N -1.57 -2.78 -2.56 0.00 4.76 -1.26 -5.02 118.16 109.74 3gi9 n LYS 126 Ca 0.00 0.41 -0.43 0.00 -2.87 0.00 0.00 58.31 55.42 3gi9 n LYS 126 Cb 0.00 -4.01 -0.02 0.00 -1.84 0.00 0.00 35.03 29.16 3gi9 n LYS 126 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3gi9 s THR 127 N -3.17 4.50 -0.02 -0.18 -1.32 -1.26 -4.69 115.64 109.49 3gi9 s THR 127 Ca 0.04 1.81 0.01 0.00 -1.21 0.00 0.00 61.69 62.34 3gi9 s THR 127 Cb -0.01 -4.17 0.01 0.00 -1.51 0.00 0.00 72.50 66.83 3gi9 s THR 127 CO 0.35 -0.10 -0.03 0.42 -2.21 0.00 0.00 174.62 173.05 3gi9 s THR 128 N 2.90 0.34 0.78 5.08 -4.23 0.03 -4.98 115.64 115.56 3gi9 s THR 128 Ca 0.50 -0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.82 3gi9 s THR 128 Cb -0.19 -0.36 0.06 0.00 1.34 0.00 0.00 72.50 73.35 3gi9 s THR 128 CO 0.14 0.15 1.11 -2.16 -0.54 0.00 0.00 174.62 173.32 3gi9 s PRO 129 N 0.55 2.10 0.48 3.99 0.04 -1.26 -1.62 135.00 139.28 3gi9 s PRO 129 Ca -0.06 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 3gi9 s PRO 129 Cb -0.09 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3gi9 s PRO 129 CO -0.01 -1.78 0.98 -1.25 0.04 0.00 0.00 177.00 174.98 3gi9 s PRO 130 N -4.64 4.01 -0.24 0.56 0.04 -1.26 -4.39 135.00 129.07 3gi9 s PRO 130 Ca 0.64 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 3gi9 s PRO 130 Cb -0.20 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 3gi9 s PRO 130 CO 0.53 -0.23 0.25 -1.12 0.04 0.00 0.00 177.00 176.47 3gi9 s SER 131 N -2.58 6.20 -0.30 6.66 0.01 0.61 -4.92 113.70 119.39 3gi9 s SER 131 Ca 0.61 0.22 -0.06 0.00 1.31 0.00 0.00 55.95 58.03 3gi9 s SER 131 Cb -0.11 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 63.99 3gi9 s SER 131 CO 0.23 -0.01 0.07 -0.69 0.41 0.00 0.00 173.24 173.25 3gi9 s VAL 132 N 1.30 3.83 -0.13 3.43 1.01 -1.26 -1.13 120.40 127.45 3gi9 s VAL 132 Ca 0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3gi9 s VAL 132 Cb -0.14 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3gi9 s VAL 132 CO 0.07 0.04 -0.10 -0.31 0.00 0.00 0.00 175.10 174.79 3gi9 s TYR 133 N 1.46 2.87 0.50 5.22 1.51 0.36 -4.94 117.35 124.34 3gi9 s TYR 133 Ca 0.01 -0.54 -0.19 0.00 -1.01 0.00 0.00 57.07 55.35 3gi9 s TYR 133 Cb -0.18 -1.87 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 3gi9 s TYR 133 CO 0.02 -0.15 1.02 -1.25 -1.11 0.00 0.00 175.55 174.07 3gi9 s PRO 134 N 0.32 3.80 -0.44 -1.71 0.04 -1.26 0.36 135.00 136.12 3gi9 s PRO 134 Ca -0.09 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.20 3gi9 s PRO 134 Cb -0.15 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.40 3gi9 s PRO 134 CO 0.05 -0.41 0.18 -0.51 0.04 0.00 0.00 177.00 176.35 3gi9 s LEU 135 N -3.73 3.92 0.07 -3.56 1.43 0.16 -4.84 118.68 112.13 3gi9 s LEU 135 Ca 0.64 -2.58 0.06 0.00 -1.03 0.00 0.00 54.13 51.22 3gi9 s LEU 135 Cb -0.14 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3gi9 s LEU 135 CO 0.24 -0.29 -0.08 0.00 0.23 0.00 0.00 176.35 176.44 3gi9 s ALA 136 N 0.33 2.99 0.00 4.21 0.00 -1.26 -1.04 121.76 126.98 3gi9 s ALA 136 Ca 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3gi9 s ALA 136 Cb -0.23 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3gi9 s ALA 136 CO -0.04 0.64 0.00 -2.30 0.00 0.00 0.00 175.76 174.06 3gi9 n PRO 137 N 0.96 0.47 -2.83 0.00 -0.02 -1.26 -5.06 135.00 127.26 3gi9 n PRO 137 Ca -0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.92 3gi9 n PRO 137 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.97 3gi9 n PRO 137 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gi9 s GLY 144 N 0.00 1.68 0.00 -1.23 0.00 -1.26 -4.92 107.32 101.59 3gi9 s GLY 144 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 3gi9 s GLY 144 CO 0.00 1.93 0.00 -1.26 0.00 0.00 0.00 173.10 173.77 3gi9 n SER 145 N 6.34 0.00 -4.51 1.64 2.88 -1.26 -4.77 113.62 113.94 3gi9 n SER 145 Ca 0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.30 3gi9 n SER 145 Cb 0.48 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.82 3gi9 n SER 145 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3gi9 s SER 146 N 0.00 4.10 -0.11 -3.46 0.01 -1.26 -0.50 113.70 112.48 3gi9 s SER 146 Ca 0.00 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.95 3gi9 s SER 146 Cb 0.00 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.46 3gi9 s SER 146 CO 0.00 0.26 -0.16 0.54 0.41 0.00 0.00 173.24 174.29 3gi9 s VAL 147 N -0.96 1.56 -0.20 3.43 0.11 0.58 -4.83 120.40 120.09 3gi9 s VAL 147 Ca 0.16 -0.69 -0.17 0.00 -2.93 0.00 0.00 61.98 58.35 3gi9 s VAL 147 Cb -0.11 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 3gi9 s VAL 147 CO 0.06 0.45 0.44 -0.89 -3.33 0.00 0.00 175.10 171.84 3gi9 s THR 148 N 0.89 5.16 0.17 5.04 2.01 -1.26 -1.80 115.64 125.86 3gi9 s THR 148 Ca -0.08 0.80 0.09 0.00 0.31 0.00 0.00 61.69 62.80 3gi9 s THR 148 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3gi9 s THR 148 CO -0.00 0.22 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.28 3gi9 s LEU 149 N 1.47 2.94 0.23 4.42 1.43 0.12 -4.70 118.68 124.60 3gi9 s LEU 149 Ca 0.21 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3gi9 s LEU 149 Cb -0.15 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3gi9 s LEU 149 CO 0.09 0.11 0.10 -0.83 0.23 0.00 0.00 176.35 176.05 3gi9 s GLY 150 N -2.76 1.61 -0.09 -3.19 0.00 -0.21 0.09 107.32 102.77 3gi9 s GLY 150 Ca 0.24 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 3gi9 s GLY 150 CO 0.15 -1.52 0.18 0.00 0.00 0.00 0.00 173.10 171.90 3gi9 s LEU 152 N 2.23 4.01 -0.34 0.00 2.96 0.16 -1.85 118.68 125.84 3gi9 s LEU 152 Ca 0.02 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3gi9 s LEU 152 Cb -0.12 -2.07 0.08 0.00 0.50 0.00 0.00 46.19 44.57 3gi9 s LEU 152 CO -0.06 0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.41 3gi9 s VAL 153 N 1.07 3.01 0.11 1.68 1.01 -0.59 -0.49 120.40 126.21 3gi9 s VAL 153 Ca 0.07 -1.72 0.10 0.00 0.00 0.00 0.00 61.98 60.43 3gi9 s VAL 153 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3gi9 s VAL 153 CO 0.04 -0.36 -0.25 -0.75 0.00 0.00 0.00 175.10 173.79 3gi9 s LYS 154 N 1.18 1.37 -1.02 2.72 2.20 -0.29 -1.12 119.74 124.78 3gi9 s LYS 154 Ca 0.01 -1.26 -0.04 0.00 -0.36 0.00 0.00 55.97 54.32 3gi9 s LYS 154 Cb -0.21 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 3gi9 s LYS 154 CO -0.03 0.42 0.87 0.41 -0.36 0.00 0.00 175.35 176.67 3gi9 n GLY 155 N 1.08 -0.21 3.46 5.54 0.00 -0.63 -0.29 105.19 114.15 3gi9 n GLY 155 Ca -0.18 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3gi9 n GLY 155 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gi9 s TYR 156 N -3.27 2.45 -0.19 1.61 1.13 -1.02 -4.53 117.35 113.54 3gi9 s TYR 156 Ca 0.27 -0.31 -0.17 0.00 -1.41 0.00 0.00 57.07 55.45 3gi9 s TYR 156 Cb -0.12 -1.29 0.05 0.00 -1.10 0.00 0.00 41.96 39.50 3gi9 s TYR 156 CO 0.57 0.40 0.49 0.12 -2.51 0.00 0.00 175.55 174.62 3gi9 s PHE 157 N -1.22 -0.56 0.00 -3.49 5.36 -0.64 -0.66 117.98 116.77 3gi9 s PHE 157 Ca 0.18 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 3gi9 s PHE 157 Cb -0.10 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 3gi9 s PHE 157 CO 0.09 -0.27 0.00 -0.35 -1.46 0.00 0.00 175.22 173.23 3gi9 n PRO 158 N 2.91 1.65 -2.92 10.12 -0.04 -1.26 -0.79 135.00 144.67 3gi9 n PRO 158 Ca -0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.99 3gi9 n PRO 158 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 3gi9 n PRO 158 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3gi9 s GLU 159 N 0.74 4.09 0.40 0.54 2.12 -1.26 -4.80 118.70 120.53 3gi9 s GLU 159 Ca 0.00 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.26 3gi9 s GLU 159 Cb 0.00 -2.29 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 3gi9 s GLU 159 CO 0.00 0.03 0.14 -1.13 -0.54 0.00 0.00 175.26 173.75 3gi9 n SER 160 N -0.64 1.29 -4.53 -1.70 3.41 -1.26 -4.81 113.62 105.37 3gi9 n SER 160 Ca 0.05 -3.09 -0.27 0.00 -0.26 0.00 0.00 58.87 55.30 3gi9 n SER 160 Cb 0.54 0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 65.36 3gi9 n SER 160 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gi9 s VAL 161 N -3.02 2.94 -0.10 -3.33 -7.23 -1.26 -4.27 120.40 104.12 3gi9 s VAL 161 Ca 0.19 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 3gi9 s VAL 161 Cb 0.01 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3gi9 s VAL 161 CO 0.14 -0.13 -0.23 0.42 -0.31 0.00 0.00 175.10 174.98 3gi9 s THR 162 N -1.75 2.01 -0.23 5.32 -4.23 -0.43 -4.97 115.64 111.36 3gi9 s THR 162 Ca 0.24 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.70 3gi9 s THR 162 Cb -0.08 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 3gi9 s THR 162 CO 0.14 0.55 0.05 -0.69 -0.54 0.00 0.00 174.62 174.13 3gi9 s VAL 163 N 0.44 4.22 0.07 2.29 1.01 -1.26 -0.70 120.40 126.47 3gi9 s VAL 163 Ca -0.17 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3gi9 s VAL 163 Cb -0.17 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3gi9 s VAL 163 CO 0.07 0.37 -0.18 0.42 0.00 0.00 0.00 175.10 175.78 3gi9 s THR 164 N 1.42 2.84 -0.17 3.92 -4.23 0.36 -4.96 115.64 114.82 3gi9 s THR 164 Ca 0.05 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3gi9 s THR 164 Cb -0.15 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 3gi9 s THR 164 CO 0.03 0.24 -0.05 0.26 -0.54 0.00 0.00 174.62 174.55 3gi9 s TRP 165 N -1.02 2.97 -1.48 3.99 0.52 -1.26 -0.27 118.94 122.40 3gi9 s TRP 165 Ca 0.16 -0.49 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 3gi9 s TRP 165 Cb -0.11 -1.98 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 3gi9 s TRP 165 CO 0.07 -0.18 0.35 0.09 0.02 0.00 0.00 176.95 177.30 3gi9 n ASN 166 N 3.84 -0.28 -2.53 2.95 3.02 0.68 -1.51 115.26 121.43 3gi9 n ASN 166 Ca -0.18 -1.08 -0.19 0.00 -0.03 0.00 0.00 54.58 53.10 3gi9 n ASN 166 Cb 0.52 -2.63 -0.00 0.00 -0.61 0.00 0.00 39.78 37.06 3gi9 n ASN 166 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3gi9 n SER 167 N -2.92 -5.49 0.00 6.41 2.88 -1.26 -2.57 113.62 110.66 3gi9 n SER 167 Ca -0.27 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 3gi9 n SER 167 Cb 0.67 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 3gi9 n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gi9 n GLY 168 N -1.05 2.84 0.37 0.46 0.00 -0.57 -4.93 105.19 102.30 3gi9 n GLY 168 Ca -0.20 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.80 3gi9 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gi9 h SER 169 N 0.15 0.91 -3.34 1.61 4.64 -1.51 -3.29 113.55 112.72 3gi9 h SER 169 Ca 0.00 0.03 -0.64 0.00 -0.47 0.00 0.00 61.79 60.71 3gi9 h SER 169 Cb 0.00 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 61.79 3gi9 h SER 169 CO 0.00 0.52 0.33 -0.76 -0.87 0.00 0.00 176.83 176.05 3gi9 s LEU 170 N -10.11 4.42 0.00 5.97 1.43 -1.07 -4.73 118.68 114.59 3gi9 s LEU 170 Ca -0.12 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3gi9 s LEU 170 Cb 0.21 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.70 3gi9 s LEU 170 CO 0.81 -1.03 0.00 -0.24 0.23 0.00 0.00 176.35 176.12 3gi9 n SER 171 N 6.82 0.00 0.37 2.29 2.88 -1.24 -4.06 113.62 120.68 3gi9 n SER 171 Ca -0.01 -0.06 -0.16 0.00 -1.33 0.00 0.00 58.87 57.32 3gi9 n SER 171 Cb 0.47 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.85 3gi9 n SER 171 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3gi9 h SER 172 N 0.00 -0.81 -2.63 -3.46 0.02 -1.91 -3.34 113.55 101.42 3gi9 h SER 172 Ca 0.00 0.01 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 3gi9 h SER 172 Cb 0.03 0.21 -0.32 0.00 0.14 0.00 0.00 62.40 62.46 3gi9 h SER 172 CO 0.00 -0.46 0.43 -1.20 -1.14 0.00 0.00 176.83 174.46 3gi9 n SER 173 N -5.43 5.84 -4.12 3.07 7.64 -1.26 -4.99 113.62 114.37 3gi9 n SER 173 Ca -0.13 -3.47 -0.31 0.00 1.01 0.00 0.00 58.87 55.97 3gi9 n SER 173 Cb 0.39 -1.08 -0.16 0.00 -1.01 0.00 0.00 64.21 62.34 3gi9 n SER 173 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gi9 s VAL 174 N -3.00 1.86 -0.21 0.44 1.01 -1.26 -1.96 120.40 117.28 3gi9 s VAL 174 Ca 0.35 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3gi9 s VAL 174 Cb 0.10 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3gi9 s VAL 174 CO 0.04 0.51 -0.02 -1.00 0.00 0.00 0.00 175.10 174.63 3gi9 s HIS 175 N 0.97 2.99 -0.40 5.22 3.76 -0.45 -4.99 115.29 122.39 3gi9 s HIS 175 Ca -0.05 -0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 54.07 3gi9 s HIS 175 Cb -0.15 -2.09 0.05 0.00 1.11 0.00 0.00 32.58 31.49 3gi9 s HIS 175 CO -0.04 -0.39 0.25 0.99 -0.85 0.00 0.00 174.74 174.70 3gi9 s THR 176 N 1.24 4.60 -0.14 1.30 2.01 -1.26 -0.80 115.64 122.58 3gi9 s THR 176 Ca 0.03 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 3gi9 s THR 176 Cb -0.14 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 3gi9 s THR 176 CO -0.00 -0.35 0.74 -0.36 -0.69 0.00 0.00 174.62 173.96 3gi9 s PHE 177 N 1.54 3.46 0.67 4.92 0.08 -0.20 -5.03 117.98 123.42 3gi9 s PHE 177 Ca 0.03 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 58.08 3gi9 s PHE 177 Cb -0.21 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.34 3gi9 s PHE 177 CO 0.06 -0.12 1.18 -2.30 -0.10 0.00 0.00 175.22 173.94 3gi9 n PRO 178 N 4.71 0.88 -2.41 0.24 -0.02 -1.26 -3.23 135.00 133.90 3gi9 n PRO 178 Ca 0.01 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 3gi9 n PRO 178 Cb 0.50 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3gi9 n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gi9 s ALA 179 N -1.56 3.06 -0.04 3.55 0.00 -1.26 -4.70 121.76 120.81 3gi9 s ALA 179 Ca 0.79 0.82 0.06 0.00 0.00 0.00 0.00 51.96 53.63 3gi9 s ALA 179 Cb -0.37 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3gi9 s ALA 179 CO 0.44 -0.41 -0.22 -0.51 0.00 0.00 0.00 175.76 175.06 3gi9 s LEU 180 N -2.75 2.02 -0.12 0.00 1.43 -0.34 -4.95 118.68 113.98 3gi9 s LEU 180 Ca 0.60 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 3gi9 s LEU 180 Cb -0.25 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3gi9 s LEU 180 CO 0.31 0.24 0.66 -0.22 0.23 0.00 0.00 176.35 177.57 3gi9 s LEU 181 N -0.29 4.25 -0.10 1.79 2.96 -1.26 -1.68 118.68 124.34 3gi9 s LEU 181 Ca 0.02 1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.92 3gi9 s LEU 181 Cb -0.11 -2.99 0.05 0.00 0.50 0.00 0.00 46.19 43.65 3gi9 s LEU 181 CO 0.01 -0.17 0.20 0.00 -1.32 0.00 0.00 176.35 175.07 3gi9 s GLN 182 N 1.21 0.08 -1.33 1.98 1.03 0.27 -4.92 119.66 117.99 3gi9 s GLN 182 Ca 0.33 0.62 -0.01 0.00 0.04 0.00 0.00 55.36 56.35 3gi9 s GLN 182 Cb -0.17 -0.21 0.01 0.00 0.03 0.00 0.00 33.01 32.67 3gi9 s GLN 182 CO 0.14 -0.31 0.72 0.43 -2.54 0.00 0.00 175.29 173.74 3gi9 n SER 183 N 5.34 -1.48 0.00 12.60 7.64 -1.26 -2.13 113.62 134.32 3gi9 n SER 183 Ca -0.05 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.01 3gi9 n SER 183 Cb 0.50 -4.05 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 3gi9 n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gi9 n GLY 184 N -1.59 0.46 3.16 0.23 0.00 -1.26 -4.99 105.19 101.20 3gi9 n GLY 184 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 3gi9 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gi9 s LEU 185 N 0.00 2.21 0.11 0.99 1.43 -0.91 -4.86 118.68 117.66 3gi9 s LEU 185 Ca 0.00 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3gi9 s LEU 185 Cb 0.00 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 3gi9 s LEU 185 CO 0.00 0.00 0.34 -0.31 0.23 0.00 0.00 176.35 176.61 3gi9 s TYR 186 N -1.01 3.50 -0.03 0.29 2.02 0.17 -0.56 117.35 121.73 3gi9 s TYR 186 Ca 0.01 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 3gi9 s TYR 186 Cb -0.09 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3gi9 s TYR 186 CO 0.02 0.49 0.00 0.99 -1.57 0.00 0.00 175.55 175.48 3gi9 s THR 187 N -1.57 0.15 0.26 -0.71 2.01 -0.68 -1.61 115.64 113.51 3gi9 s THR 187 Ca 0.38 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.47 3gi9 s THR 187 Cb -0.13 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3gi9 s THR 187 CO 0.23 0.13 0.15 0.00 -0.69 0.00 0.00 174.62 174.44 3gi9 s MET 188 N 0.90 1.44 0.06 4.92 0.23 -0.28 -1.19 119.30 125.38 3gi9 s MET 188 Ca -0.09 -1.80 0.01 0.00 -1.03 0.00 0.00 55.69 52.78 3gi9 s MET 188 Cb -0.12 0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.19 3gi9 s MET 188 CO -0.02 -0.42 -0.05 0.45 -2.03 0.00 0.00 175.02 172.95 3gi9 s SER 189 N -3.29 0.72 -0.05 -1.18 0.15 -1.20 -1.53 113.70 107.32 3gi9 s SER 189 Ca 0.38 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 3gi9 s SER 189 Cb 0.06 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 3gi9 s SER 189 CO 0.16 -0.45 0.11 -0.55 1.20 0.00 0.00 173.24 173.72 3gi9 s SER 190 N -2.52 -0.07 0.08 5.45 0.15 -0.77 -1.03 113.70 114.98 3gi9 s SER 190 Ca 0.02 0.23 0.09 0.00 0.70 0.00 0.00 55.95 56.99 3gi9 s SER 190 Cb 0.01 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.43 3gi9 s SER 190 CO -0.05 -0.12 -0.24 -0.55 1.20 0.00 0.00 173.24 173.47 3gi9 s SER 191 N 0.93 3.43 0.01 5.45 0.15 0.02 -0.58 113.70 123.11 3gi9 s SER 191 Ca -0.07 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 55.97 3gi9 s SER 191 Cb -0.10 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 3gi9 s SER 191 CO -0.04 0.22 -0.03 0.54 1.20 0.00 0.00 173.24 175.13 3gi9 s VAL 192 N -0.96 0.19 -0.12 4.45 0.11 0.11 -1.35 120.40 122.83 3gi9 s VAL 192 Ca 0.14 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 3gi9 s VAL 192 Cb -0.10 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3gi9 s VAL 192 CO 0.05 -0.21 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.56 3gi9 s THR 193 N -0.73 1.61 0.10 5.04 2.01 -0.83 0.10 115.64 122.95 3gi9 s THR 193 Ca -0.07 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3gi9 s THR 193 Cb -0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 3gi9 s THR 193 CO -0.00 0.46 -0.11 0.68 -0.69 0.00 0.00 174.62 174.96 3gi9 s VAL 194 N 1.08 1.04 0.63 3.82 -7.23 -0.74 -4.65 120.40 114.35 3gi9 s VAL 194 Ca -0.04 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.28 3gi9 s VAL 194 Cb -0.14 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 3gi9 s VAL 194 CO -0.04 -0.53 1.25 -2.84 -0.31 0.00 0.00 175.10 172.64 3gi9 s PRO 195 N -2.78 2.71 0.14 4.82 0.02 -1.26 -0.31 135.00 138.34 3gi9 s PRO 195 Ca 0.07 1.94 0.14 0.00 0.02 0.00 0.00 61.00 63.17 3gi9 s PRO 195 Cb -0.03 -1.88 0.67 0.00 0.02 0.00 0.00 34.50 33.28 3gi9 s PRO 195 CO 0.01 -1.44 1.44 0.43 -0.33 0.00 0.00 177.00 177.11 3gi9 n SER 196 N -1.82 0.30 -0.29 2.53 7.64 0.34 -1.92 113.62 120.40 3gi9 n SER 196 Ca 0.15 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.76 3gi9 n SER 196 Cb 0.49 -0.66 0.26 0.00 -1.01 0.00 0.00 64.21 63.29 3gi9 n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3gi9 n SER 197 N -1.86 1.26 -0.26 6.43 3.41 -1.26 -4.03 113.62 117.29 3gi9 n SER 197 Ca 0.01 -1.02 0.06 0.00 -0.26 0.00 0.00 58.87 57.66 3gi9 n SER 197 Cb 0.10 0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3gi9 n SER 197 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gi9 n THR 198 N -0.56 0.00 -3.82 6.66 -2.24 -0.81 -4.63 114.28 108.88 3gi9 n THR 198 Ca 0.11 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3gi9 n THR 198 Cb 0.38 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 3gi9 n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3gi9 s TRP 199 N -1.50 -0.13 -0.78 4.78 -0.00 -1.23 0.98 118.94 121.06 3gi9 s TRP 199 Ca 0.10 0.30 0.18 0.00 -0.00 0.00 0.00 56.10 56.68 3gi9 s TRP 199 Cb 0.09 0.04 0.77 0.00 -0.00 0.00 0.00 33.47 34.37 3gi9 s TRP 199 CO 0.29 -0.17 1.57 -2.30 -0.00 0.00 0.00 176.95 176.34 3gi9 n PRO 200 N 2.44 0.08 -4.04 5.86 -0.02 -1.26 -4.76 135.00 133.31 3gi9 n PRO 200 Ca -0.16 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.33 3gi9 n PRO 200 Cb 0.58 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 32.24 3gi9 n PRO 200 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gi9 s SER 201 N -3.52 3.20 0.06 2.55 1.04 -1.26 -4.32 113.70 111.45 3gi9 s SER 201 Ca 0.06 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3gi9 s SER 201 Cb 0.09 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.91 3gi9 s SER 201 CO 0.32 -0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.45 3gi9 n GLN 202 N 4.68 1.52 -2.95 4.02 6.02 0.28 -4.09 117.38 126.86 3gi9 n GLN 202 Ca -0.17 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.44 3gi9 n GLN 202 Cb 0.48 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.68 3gi9 n GLN 202 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gi9 s THR 203 N 0.55 4.34 -0.10 5.09 2.01 -1.26 -4.35 115.64 121.91 3gi9 s THR 203 Ca 0.00 1.69 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3gi9 s THR 203 Cb 0.00 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.44 3gi9 s THR 203 CO 0.00 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.55 3gi9 s VAL 204 N -1.29 1.10 -0.03 3.82 1.01 -1.26 -5.00 120.40 118.75 3gi9 s VAL 204 Ca 0.40 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3gi9 s VAL 204 Cb -0.22 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3gi9 s VAL 204 CO 0.26 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.78 3gi9 s THR 205 N 1.37 0.56 -0.25 3.92 2.01 -1.26 -1.08 115.64 120.90 3gi9 s THR 205 Ca -0.01 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 3gi9 s THR 205 Cb -0.14 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 3gi9 s THR 205 CO -0.05 0.21 0.19 0.00 -0.69 0.00 0.00 174.62 174.28 3gi9 s SER 207 N 1.31 6.11 -0.19 0.00 0.01 0.63 -1.44 113.70 120.13 3gi9 s SER 207 Ca 0.08 0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.43 3gi9 s SER 207 Cb -0.14 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3gi9 s SER 207 CO 0.07 0.05 -0.12 -0.69 0.41 0.00 0.00 173.24 172.96 3gi9 s VAL 208 N 1.16 2.78 -0.13 3.43 1.01 0.43 -0.49 120.40 128.60 3gi9 s VAL 208 Ca 0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3gi9 s VAL 208 Cb -0.14 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3gi9 s VAL 208 CO 0.05 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.54 3gi9 s ALA 209 N 1.27 2.77 -0.43 5.51 0.00 0.12 -0.85 121.76 130.15 3gi9 s ALA 209 Ca 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3gi9 s ALA 209 Cb -0.14 -1.32 0.12 0.00 0.00 0.00 0.00 23.12 21.79 3gi9 s ALA 209 CO -0.06 0.27 0.20 -1.58 0.00 0.00 0.00 175.76 174.59 3gi9 s HIS 210 N 0.24 2.63 0.42 0.00 2.46 0.66 -1.31 115.29 120.40 3gi9 s HIS 210 Ca -0.06 -2.68 0.11 0.00 0.47 0.00 0.00 55.06 52.90 3gi9 s HIS 210 Cb -0.15 -2.34 0.92 0.00 -0.13 0.00 0.00 32.58 30.88 3gi9 s HIS 210 CO 0.04 -0.81 1.99 -1.00 -2.47 0.00 0.00 174.74 172.49 3gi9 h PRO 211 N 6.96 0.17 0.00 2.88 0.13 -1.80 -0.80 132.00 139.55 3gi9 h PRO 211 Ca -0.05 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3gi9 h PRO 211 Cb 0.94 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3gi9 h PRO 211 CO 0.56 0.27 -0.07 0.00 -0.23 0.00 0.00 178.00 178.53 3gi9 h ALA 212 N 1.75 1.50 -0.18 -0.56 0.00 -1.86 -1.76 119.26 118.15 3gi9 h ALA 212 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gi9 h ALA 212 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gi9 h ALA 212 CO 0.01 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3gi9 n SER 213 N -3.89 2.45 -3.27 0.00 3.41 -0.95 -4.98 113.62 106.40 3gi9 n SER 213 Ca -0.02 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 3gi9 n SER 213 Cb 0.16 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3gi9 n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gi9 n SER 214 N 0.07 -5.01 -4.73 4.04 7.64 -0.56 -4.96 113.62 110.10 3gi9 n SER 214 Ca 0.06 -0.39 -0.35 0.00 1.01 0.00 0.00 58.87 59.20 3gi9 n SER 214 Cb 0.34 -4.07 -0.08 0.00 -1.01 0.00 0.00 64.21 59.38 3gi9 n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3gi9 s THR 215 N -3.09 4.70 -0.05 0.44 2.01 -0.41 -4.97 115.64 114.26 3gi9 s THR 215 Ca 0.39 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3gi9 s THR 215 Cb -0.19 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.33 3gi9 s THR 215 CO 0.48 0.60 -0.02 0.42 -0.69 0.00 0.00 174.62 175.41 3gi9 s THR 216 N -0.81 0.44 -0.08 -0.82 -4.23 -1.26 -0.24 115.64 108.64 3gi9 s THR 216 Ca 0.13 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.64 3gi9 s THR 216 Cb -0.12 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.21 3gi9 s THR 216 CO 0.03 0.23 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.50 3gi9 s VAL 217 N 1.30 1.32 -0.11 2.29 1.01 -0.03 -4.96 120.40 121.23 3gi9 s VAL 217 Ca -0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3gi9 s VAL 217 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3gi9 s VAL 217 CO -0.02 0.40 0.07 -1.81 0.00 0.00 0.00 175.10 173.74 3gi9 s ASP 218 N 0.78 5.79 -0.12 3.32 -0.00 -1.26 -0.42 116.67 124.76 3gi9 s ASP 218 Ca -0.12 0.28 -0.01 0.00 -0.00 0.00 0.00 52.55 52.70 3gi9 s ASP 218 Cb -0.16 -1.79 0.03 0.00 -0.00 0.00 0.00 42.92 41.01 3gi9 s ASP 218 CO 0.02 0.37 -0.03 -0.54 -0.00 0.00 0.00 175.17 174.99 3gi9 s LYS 219 N -0.81 1.07 0.08 8.23 -0.14 -0.52 -5.00 119.74 122.65 3gi9 s LYS 219 Ca 0.13 -0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.24 3gi9 s LYS 219 Cb -0.12 -1.52 -0.05 0.00 -1.68 0.00 0.00 37.83 34.46 3gi9 s LYS 219 CO 0.03 -0.36 0.99 0.21 -0.76 0.00 0.00 175.35 175.46 3gi9 s LYS 220 N 1.81 4.64 -0.32 1.68 2.20 -1.26 -1.93 119.74 126.55 3gi9 s LYS 220 Ca 0.03 1.48 -0.20 0.00 -0.36 0.00 0.00 55.97 56.92 3gi9 s LYS 220 Cb -0.14 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3gi9 s LYS 220 CO -0.07 0.10 0.64 -0.51 -0.36 0.00 0.00 175.35 175.15 3gi9 s LEU 221 N 0.31 4.17 0.04 5.43 1.43 -0.24 -4.98 118.68 124.83 3gi9 s LEU 221 Ca 0.49 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 3gi9 s LEU 221 Cb -0.23 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3gi9 s LEU 221 CO 0.30 -0.51 -0.15 -1.61 0.23 0.00 0.00 176.35 174.60 3gi9 s GLU 222 N 2.65 1.00 0.00 1.70 0.41 -1.26 -4.64 118.70 118.56 3gi9 s GLU 222 Ca 0.25 -0.77 0.32 0.00 -0.41 0.00 0.00 54.97 54.36 3gi9 s GLU 222 Cb -0.15 -1.02 1.90 0.00 -1.78 0.00 0.00 34.13 33.09 3gi9 s GLU 222 CO 0.13 0.25 2.23 -0.35 -0.49 0.00 0.00 175.26 177.03