#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi8 s VAL 2 N 0.00 4.64 0.05 1.69 1.01 -1.26 -4.20 120.40 122.34 3gi8 s VAL 2 Ca 0.00 1.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.82 3gi8 s VAL 2 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3gi8 s VAL 2 CO 0.00 -0.04 0.19 0.00 0.00 0.00 0.00 175.10 175.25 3gi8 s GLN 3 N 2.37 0.74 -0.15 2.72 -2.07 -0.63 -5.01 119.66 117.63 3gi8 s GLN 3 Ca 0.49 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 53.30 3gi8 s GLN 3 Cb -0.19 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 32.06 3gi8 s GLN 3 CO 0.16 -0.22 -0.12 -0.51 -1.32 0.00 0.00 175.29 173.28 3gi8 s LEU 4 N -2.33 1.68 -0.36 2.60 1.43 -1.26 -1.94 118.68 118.51 3gi8 s LEU 4 Ca -0.02 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 3gi8 s LEU 4 Cb 0.01 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3gi8 s LEU 4 CO -0.06 -0.08 0.31 -0.22 0.23 0.00 0.00 176.35 176.53 3gi8 s LEU 5 N 1.52 4.61 -0.02 1.79 0.20 0.12 -4.20 118.68 122.70 3gi8 s LEU 5 Ca 0.04 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.46 3gi8 s LEU 5 Cb -0.13 -2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 3gi8 s LEU 5 CO -0.10 -0.34 -0.17 -1.10 -0.29 0.00 0.00 176.35 174.36 3gi8 s GLN 6 N 1.86 2.35 0.64 1.98 -0.21 -1.26 -1.17 119.66 123.85 3gi8 s GLN 6 Ca 0.09 -0.79 -0.18 0.00 0.02 0.00 0.00 55.36 54.49 3gi8 s GLN 6 Cb -0.17 -2.29 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 3gi8 s GLN 6 CO 0.11 0.60 1.30 -2.14 -2.12 0.00 0.00 175.29 173.04 3gi8 s PRO 7 N -0.88 2.61 0.02 2.91 0.02 -1.26 -4.81 135.00 133.61 3gi8 s PRO 7 Ca 0.12 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 63.06 3gi8 s PRO 7 Cb -0.10 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 3gi8 s PRO 7 CO 0.01 -1.56 1.11 0.78 -0.33 0.00 0.00 177.00 177.02 3gi8 h GLY 8 N 0.64 -0.63 -3.62 0.52 0.00 -1.97 -3.33 103.07 94.68 3gi8 h GLY 8 Ca -0.51 0.23 -0.29 0.00 0.00 0.00 0.00 47.33 46.76 3gi8 h GLY 8 CO 0.54 -0.23 -0.72 0.00 0.00 0.00 0.00 176.54 176.12 3gi8 s ALA 9 N -4.28 1.04 -0.06 3.60 0.00 -1.26 -1.46 121.76 119.34 3gi8 s ALA 9 Ca -0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 3gi8 s ALA 9 Cb 0.01 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3gi8 s ALA 9 CO 0.26 -0.08 0.12 -1.21 0.00 0.00 0.00 175.76 174.85 3gi8 s GLU 10 N -2.93 0.04 -0.22 0.00 0.41 -0.38 -4.92 118.70 110.71 3gi8 s GLU 10 Ca 0.06 0.37 -0.06 0.00 -0.41 0.00 0.00 54.97 54.92 3gi8 s GLU 10 Cb -0.02 -0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.07 3gi8 s GLU 10 CO -0.01 -0.20 0.04 -1.17 -0.49 0.00 0.00 175.26 173.43 3gi8 s LEU 11 N 1.43 3.42 0.00 1.80 2.96 -1.26 -0.15 118.68 126.89 3gi8 s LEU 11 Ca -0.06 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3gi8 s LEU 11 Cb -0.12 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3gi8 s LEU 11 CO -0.05 0.04 -0.03 0.68 -1.32 0.00 0.00 176.35 175.67 3gi8 s VAL 12 N 1.16 0.24 0.50 1.68 -7.23 -0.36 -5.00 120.40 111.38 3gi8 s VAL 12 Ca 0.04 -0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.70 3gi8 s VAL 12 Cb -0.14 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 3gi8 s VAL 12 CO 0.02 -0.04 1.12 -0.54 -0.31 0.00 0.00 175.10 175.35 3gi8 s LYS 13 N -0.36 3.62 0.33 4.82 1.02 -1.25 -1.32 119.74 126.58 3gi8 s LYS 13 Ca -0.02 1.60 -0.29 0.00 0.02 0.00 0.00 55.97 57.29 3gi8 s LYS 13 Cb -0.03 -2.18 -0.12 0.00 -0.52 0.00 0.00 37.83 34.98 3gi8 s LYS 13 CO -0.00 -0.63 1.38 -2.30 -0.92 0.00 0.00 175.35 172.88 3gi8 n PRO 14 N -0.91 2.28 0.00 -1.68 -0.02 -1.26 -2.46 135.00 130.95 3gi8 n PRO 14 Ca 0.09 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3gi8 n PRO 14 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3gi8 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi8 n GLY 15 N 1.07 2.49 3.95 -1.23 0.00 0.14 -4.89 105.19 106.72 3gi8 n GLY 15 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3gi8 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi8 s ALA 16 N -2.20 2.90 0.17 4.61 0.00 -1.03 -4.10 121.76 122.12 3gi8 s ALA 16 Ca 0.00 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.76 3gi8 s ALA 16 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3gi8 s ALA 16 CO 0.00 -1.86 -0.09 -1.12 0.00 0.00 0.00 175.76 172.68 3gi8 s SER 17 N -4.75 4.28 0.00 0.00 0.01 -1.26 -1.90 113.70 110.07 3gi8 s SER 17 Ca 0.68 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.41 3gi8 s SER 17 Cb -0.06 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 3gi8 s SER 17 CO 0.48 0.11 -0.08 0.54 0.41 0.00 0.00 173.24 174.71 3gi8 s VAL 18 N -1.65 0.60 -0.33 3.43 0.11 -0.46 -4.99 120.40 117.10 3gi8 s VAL 18 Ca 0.24 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.83 3gi8 s VAL 18 Cb -0.09 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3gi8 s VAL 18 CO 0.15 0.11 0.09 -0.75 -3.33 0.00 0.00 175.10 171.37 3gi8 s LYS 19 N -0.34 2.68 -0.02 1.54 2.20 -1.26 -0.81 119.74 123.74 3gi8 s LYS 19 Ca 0.02 -1.14 -0.17 0.00 -0.36 0.00 0.00 55.97 54.32 3gi8 s LYS 19 Cb -0.04 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 3gi8 s LYS 19 CO -0.00 -0.63 0.46 -0.51 -0.36 0.00 0.00 175.35 174.31 3gi8 s LEU 20 N 1.40 4.43 0.01 5.43 1.43 -0.18 -4.91 118.68 126.30 3gi8 s LEU 20 Ca -0.01 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 3gi8 s LEU 20 Cb -0.19 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3gi8 s LEU 20 CO 0.02 0.23 -0.04 -0.94 0.23 0.00 0.00 176.35 175.86 3gi8 s SER 21 N -0.63 4.84 -0.32 2.29 1.04 -1.26 -0.94 113.70 118.72 3gi8 s SER 21 Ca 0.25 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 3gi8 s SER 21 Cb -0.17 -1.18 0.11 0.00 0.10 0.00 0.00 66.02 64.88 3gi8 s SER 21 CO 0.14 0.27 0.14 0.00 0.98 0.00 0.00 173.24 174.76 3gi8 s LYS 23 N 1.62 4.39 -0.10 0.00 2.20 -0.32 -0.63 119.74 126.91 3gi8 s LYS 23 Ca 0.11 1.01 -0.02 0.00 -0.36 0.00 0.00 55.97 56.72 3gi8 s LYS 23 Cb -0.18 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3gi8 s LYS 23 CO -0.24 -0.13 -0.02 0.00 -0.36 0.00 0.00 175.35 174.60 3gi8 s ALA 24 N 1.43 3.17 0.06 3.13 0.00 -0.23 0.16 121.76 129.49 3gi8 s ALA 24 Ca 0.40 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3gi8 s ALA 24 Cb -0.18 -1.44 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 3gi8 s ALA 24 CO 0.17 0.51 0.18 -1.54 0.00 0.00 0.00 175.76 175.08 3gi8 s SER 25 N -0.63 0.09 0.00 0.00 1.04 -0.82 -4.84 113.70 108.55 3gi8 s SER 25 Ca 0.10 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3gi8 s SER 25 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3gi8 s SER 25 CO 0.02 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.23 3gi8 n GLY 26 N 0.38 1.24 3.46 7.32 0.00 -1.26 -1.60 105.19 114.73 3gi8 n GLY 26 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3gi8 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gi8 s TYR 27 N -2.31 0.63 -0.47 1.61 1.13 -1.26 -4.67 117.35 112.01 3gi8 s TYR 27 Ca 0.00 -0.94 -0.27 0.00 -1.41 0.00 0.00 57.07 54.44 3gi8 s TYR 27 Cb 0.00 -0.06 0.03 0.00 -1.10 0.00 0.00 41.96 40.83 3gi8 s TYR 27 CO 0.00 -0.87 1.04 0.95 -2.51 0.00 0.00 175.55 174.15 3gi8 s THR 28 N -4.06 4.33 0.30 -3.49 -4.23 -1.26 -4.92 115.64 102.31 3gi8 s THR 28 Ca 0.28 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.85 3gi8 s THR 28 Cb 0.02 -4.52 0.30 0.00 1.34 0.00 0.00 72.50 69.63 3gi8 s THR 28 CO 0.10 -0.92 1.78 0.15 -0.54 0.00 0.00 174.62 175.19 3gi8 h PHE 29 N 9.14 1.08 0.00 3.99 3.57 -1.94 -2.19 116.94 130.59 3gi8 h PHE 29 Ca -0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3gi8 h PHE 29 Cb 1.07 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.48 3gi8 h PHE 29 CO 0.93 0.26 -0.06 0.25 -2.23 0.00 0.00 178.31 177.45 3gi8 n THR 30 N -4.75 0.14 0.70 4.41 -2.24 -1.26 -3.66 114.28 107.62 3gi8 n THR 30 Ca 0.23 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3gi8 n THR 30 Cb 0.55 -0.45 0.32 0.00 -2.10 0.00 0.00 70.33 68.66 3gi8 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gi8 n SER 31 N -1.69 0.62 -4.36 3.42 7.64 -0.82 -4.30 113.62 114.12 3gi8 n SER 31 Ca 0.06 0.28 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 3gi8 n SER 31 Cb 0.36 -0.25 -0.12 0.00 -1.01 0.00 0.00 64.21 63.20 3gi8 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gi8 s TYR 32 N -3.10 2.01 0.77 1.43 1.51 -1.24 -4.10 117.35 114.62 3gi8 s TYR 32 Ca 0.09 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 3gi8 s TYR 32 Cb 0.14 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 41.04 3gi8 s TYR 32 CO 0.65 0.37 1.18 -1.58 -1.11 0.00 0.00 175.55 175.06 3gi8 s TRP 33 N -1.73 2.04 -0.19 2.71 0.52 0.16 -4.47 118.94 117.97 3gi8 s TRP 33 Ca 0.16 1.64 0.00 0.00 0.02 0.00 0.00 56.10 57.92 3gi8 s TRP 33 Cb -0.07 -3.38 0.02 0.00 -1.15 0.00 0.00 33.47 28.88 3gi8 s TRP 33 CO 0.07 -2.51 -0.17 1.41 0.02 0.00 0.00 176.95 175.77 3gi8 s MET 34 N -4.18 3.01 0.17 4.98 1.75 -0.47 -2.54 119.30 122.02 3gi8 s MET 34 Ca 0.71 -0.83 0.04 0.00 -1.25 0.00 0.00 55.69 54.36 3gi8 s MET 34 Cb -0.26 -2.65 -0.03 0.00 2.84 0.00 0.00 34.83 34.72 3gi8 s MET 34 CO 0.49 -0.23 0.27 0.71 -0.65 0.00 0.00 175.02 175.61 3gi8 s TYR 35 N 1.31 3.39 0.01 4.11 1.51 0.86 -1.00 117.35 127.54 3gi8 s TYR 35 Ca 0.04 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.22 3gi8 s TYR 35 Cb -0.14 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3gi8 s TYR 35 CO -0.11 0.50 -0.19 -1.58 -1.11 0.00 0.00 175.55 173.06 3gi8 s TRP 36 N -1.81 1.68 -0.02 2.71 0.52 -0.91 -0.51 118.94 120.59 3gi8 s TRP 36 Ca 0.34 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.15 3gi8 s TRP 36 Cb -0.10 -1.05 0.00 0.00 -1.15 0.00 0.00 33.47 31.17 3gi8 s TRP 36 CO 0.27 0.01 -0.10 0.08 0.02 0.00 0.00 176.95 177.24 3gi8 s VAL 37 N -0.58 0.87 -0.13 4.03 1.01 0.15 -0.83 120.40 124.91 3gi8 s VAL 37 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 3gi8 s VAL 37 Cb -0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3gi8 s VAL 37 CO 0.00 0.26 0.02 -0.75 0.00 0.00 0.00 175.10 174.63 3gi8 s LYS 38 N 0.10 3.47 -0.06 2.72 2.20 0.52 0.08 119.74 128.77 3gi8 s LYS 38 Ca -0.02 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 3gi8 s LYS 38 Cb -0.08 -2.96 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 3gi8 s LYS 38 CO 0.00 0.47 0.01 -1.14 -0.36 0.00 0.00 175.35 174.33 3gi8 s GLN 39 N -0.22 0.47 0.38 4.03 0.74 0.08 -0.73 119.66 124.42 3gi8 s GLN 39 Ca 0.06 0.13 -0.21 0.00 0.05 0.00 0.00 55.36 55.39 3gi8 s GLN 39 Cb -0.12 -0.82 -0.10 0.00 1.10 0.00 0.00 33.01 33.06 3gi8 s GLN 39 CO 0.02 -0.27 0.90 1.03 -0.55 0.00 0.00 175.29 176.43 3gi8 s ARG 40 N 1.80 4.26 0.16 1.67 1.81 -1.26 -0.43 118.95 126.96 3gi8 s ARG 40 Ca 0.02 1.08 -0.34 0.00 -1.72 0.00 0.00 55.73 54.77 3gi8 s ARG 40 Cb -0.13 -2.37 -0.14 0.00 -0.45 0.00 0.00 34.95 31.86 3gi8 s ARG 40 CO -0.04 0.08 1.56 -2.30 -0.68 0.00 0.00 175.30 173.92 3gi8 n PRO 41 N -0.30 2.09 -1.04 3.54 -0.02 -1.26 -1.62 135.00 136.39 3gi8 n PRO 41 Ca 0.05 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 3gi8 n PRO 41 Cb 0.53 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3gi8 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gi8 n GLY 42 N 3.31 0.40 0.00 -1.23 0.00 -1.26 -4.99 105.19 101.42 3gi8 n GLY 42 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3gi8 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gi8 n GLN 43 N -1.36 1.72 -0.04 1.61 6.02 -0.64 -5.17 117.38 119.50 3gi8 n GLN 43 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3gi8 n GLN 43 Cb 0.25 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.51 3gi8 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gi8 n GLY 44 N 3.08 -0.47 3.25 1.08 0.00 -1.26 -4.73 105.19 106.13 3gi8 n GLY 44 Ca 0.00 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3gi8 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gi8 s LEU 45 N 0.00 2.08 -0.11 0.99 1.43 -1.26 -4.10 118.68 117.72 3gi8 s LEU 45 Ca 0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3gi8 s LEU 45 Cb 0.00 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 3gi8 s LEU 45 CO 0.00 0.21 -0.20 -1.61 0.23 0.00 0.00 176.35 174.98 3gi8 s GLU 46 N 0.04 3.11 -0.23 1.70 2.02 0.09 -4.96 118.70 120.46 3gi8 s GLU 46 Ca -0.10 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 53.81 3gi8 s GLU 46 Cb -0.15 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3gi8 s GLU 46 CO 0.06 0.22 0.94 -0.46 0.02 0.00 0.00 175.26 176.04 3gi8 s TRP 47 N 0.27 3.33 -0.15 1.61 -0.00 -1.26 -0.36 118.94 122.38 3gi8 s TRP 47 Ca -0.14 1.31 -0.23 0.00 -0.00 0.00 0.00 56.10 57.04 3gi8 s TRP 47 Cb -0.17 -3.16 -0.24 0.00 -0.00 0.00 0.00 33.47 29.90 3gi8 s TRP 47 CO 0.07 -0.44 0.53 0.82 -0.00 0.00 0.00 176.95 177.94 3gi8 h ILE 48 N 5.44 1.29 0.00 5.86 2.04 -1.36 -3.41 117.51 127.36 3gi8 h ILE 48 Ca -0.21 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.33 3gi8 h ILE 48 Cb 1.08 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 3gi8 h ILE 48 CO 0.93 0.54 0.00 0.61 0.00 0.00 0.00 178.15 180.22 3gi8 n GLY 49 N 1.58 -1.55 3.01 5.37 0.00 -1.24 -0.11 105.19 112.26 3gi8 n GLY 49 Ca -0.22 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 3gi8 n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gi8 s GLU 50 N -1.73 0.54 -0.03 1.61 -1.05 0.09 -2.14 118.70 115.98 3gi8 s GLU 50 Ca 0.00 -0.42 0.06 0.00 -0.15 0.00 0.00 54.97 54.45 3gi8 s GLU 50 Cb 0.00 -0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 33.22 3gi8 s GLU 50 CO 0.00 0.11 -0.20 -1.50 0.95 0.00 0.00 175.26 174.62 3gi8 s ILE 51 N -0.57 1.63 -0.51 1.83 2.07 -0.17 -1.60 121.20 123.88 3gi8 s ILE 51 Ca -0.01 -0.85 -0.18 0.00 -1.41 0.00 0.00 60.65 58.19 3gi8 s ILE 51 Cb -0.05 -1.37 0.07 0.00 0.13 0.00 0.00 42.46 41.23 3gi8 s ILE 51 CO 0.00 0.46 0.57 -0.62 -1.91 0.00 0.00 174.94 173.44 3gi8 s ASP 52 N -0.24 6.20 0.00 4.50 3.68 0.09 -1.37 116.67 129.53 3gi8 s ASP 52 Ca 0.02 -1.08 0.09 0.00 2.13 0.00 0.00 52.55 53.70 3gi8 s ASP 52 Cb -0.10 -2.26 0.41 0.00 -1.45 0.00 0.00 42.92 39.52 3gi8 s ASP 52 CO 0.01 -0.85 1.23 -2.65 0.13 0.00 0.00 175.17 173.05 3gi8 n PRO 53 N 5.91 0.06 0.07 4.34 -0.02 -1.26 -0.06 135.00 144.04 3gi8 n PRO 53 Ca -0.08 0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 61.46 3gi8 n PRO 53 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.29 3gi8 n PRO 53 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gi8 h SER 54 N 0.00 0.76 0.00 2.55 4.64 -1.91 -3.39 113.55 116.20 3gi8 h SER 54 Ca 0.00 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 3gi8 h SER 54 Cb 0.12 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3gi8 h SER 54 CO 0.00 1.52 0.00 -0.90 -0.87 0.00 0.00 176.83 176.58 3gi8 n ASP 55 N -3.92 1.15 -1.97 4.97 5.75 -1.03 -5.01 116.55 116.49 3gi8 n ASP 55 Ca -0.13 -1.37 -0.20 0.00 -0.01 0.00 0.00 54.79 53.08 3gi8 n ASP 55 Cb 0.91 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.96 3gi8 n ASP 55 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3gi8 n SER 56 N -0.18 -5.40 -4.75 -1.12 7.64 0.91 -4.97 113.62 105.75 3gi8 n SER 56 Ca 0.00 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.72 3gi8 n SER 56 Cb 0.17 -4.65 -0.02 0.00 -1.01 0.00 0.00 64.21 58.70 3gi8 n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gi8 s TYR 57 N -2.82 2.90 0.05 1.43 5.04 -1.18 -4.80 117.35 117.97 3gi8 s TYR 57 Ca 0.00 0.88 0.06 0.00 -2.44 0.00 0.00 57.07 55.58 3gi8 s TYR 57 Cb 0.00 -3.94 -0.02 0.00 0.35 0.00 0.00 41.96 38.34 3gi8 s TYR 57 CO 0.00 -3.15 -0.18 0.95 -1.34 0.00 0.00 175.55 171.84 3gi8 s THR 58 N 0.07 1.40 -0.03 4.34 -4.23 -1.26 -0.73 115.64 115.20 3gi8 s THR 58 Ca 0.62 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3gi8 s THR 58 Cb -0.45 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.17 3gi8 s THR 58 CO 0.44 0.07 0.03 0.21 -0.54 0.00 0.00 174.62 174.83 3gi8 s ASN 59 N -1.27 0.68 0.11 3.99 3.84 -0.63 -5.00 114.94 116.65 3gi8 s ASN 59 Ca 0.04 0.02 0.07 0.00 0.21 0.00 0.00 52.86 53.20 3gi8 s ASN 59 Cb -0.09 -0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.39 3gi8 s ASN 59 CO 0.02 -0.16 -0.11 -0.31 -2.79 0.00 0.00 177.10 173.75 3gi8 s TYR 60 N 1.49 2.72 0.11 0.43 2.02 -1.26 -0.74 117.35 122.12 3gi8 s TYR 60 Ca -0.03 -0.17 -0.31 0.00 -0.37 0.00 0.00 57.07 56.19 3gi8 s TYR 60 Cb -0.13 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 3gi8 s TYR 60 CO -0.03 0.42 1.56 1.21 -1.57 0.00 0.00 175.55 177.15 3gi8 s ASN 61 N -2.21 6.64 0.33 2.29 3.84 0.84 -4.92 114.94 121.76 3gi8 s ASN 61 Ca 0.21 2.49 0.12 0.00 0.21 0.00 0.00 52.86 55.89 3gi8 s ASN 61 Cb -0.11 -2.58 1.03 0.00 -0.55 0.00 0.00 41.25 39.05 3gi8 s ASN 61 CO 0.13 -0.82 1.62 -0.61 -2.79 0.00 0.00 177.10 174.64 3gi8 h GLN 62 N 7.44 0.15 0.00 0.43 4.15 -1.94 0.83 115.11 126.17 3gi8 h GLN 62 Ca -0.42 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.99 3gi8 h GLN 62 Cb 1.20 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3gi8 h GLN 62 CO 0.91 0.10 0.00 0.09 -1.93 0.00 0.00 178.83 178.00 3gi8 n ASN 63 N -5.22 0.00 0.00 -0.69 3.02 -1.26 -2.75 115.26 108.36 3gi8 n ASN 63 Ca 0.30 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3gi8 n ASN 63 Cb 0.98 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 3gi8 n ASN 63 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gi8 n PHE 64 N -0.86 0.00 0.55 3.10 3.72 0.28 -4.89 117.46 119.36 3gi8 n PHE 64 Ca 0.10 -0.17 0.04 0.00 -0.05 0.00 0.00 57.45 57.37 3gi8 n PHE 64 Cb 0.04 -0.02 0.25 0.00 -0.94 0.00 0.00 39.48 38.82 3gi8 n PHE 64 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3gi8 n LYS 65 N -0.17 0.28 0.00 -1.08 4.01 -1.11 -1.72 118.16 118.37 3gi8 n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3gi8 n LYS 65 Cb 0.34 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 3gi8 n LYS 65 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gi8 n GLY 66 N -0.44 0.93 0.13 0.72 0.00 -1.26 -4.87 105.19 100.40 3gi8 n GLY 66 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3gi8 n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gi8 n LYS 67 N -0.31 0.71 -5.23 1.61 4.81 -0.70 -4.78 118.16 114.28 3gi8 n LYS 67 Ca 0.00 0.22 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 3gi8 n LYS 67 Cb 0.01 -1.64 -0.16 0.00 0.02 0.00 0.00 35.03 33.26 3gi8 n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gi8 s ALA 68 N -2.55 2.21 -0.05 3.14 0.00 -0.82 -1.18 121.76 122.51 3gi8 s ALA 68 Ca -0.25 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3gi8 s ALA 68 Cb 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3gi8 s ALA 68 CO 0.72 0.53 -0.03 0.99 0.00 0.00 0.00 175.76 177.97 3gi8 s THR 69 N -0.65 0.48 -0.21 0.00 2.01 -0.26 -4.81 115.64 112.21 3gi8 s THR 69 Ca 0.10 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 3gi8 s THR 69 Cb -0.10 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3gi8 s THR 69 CO -0.00 0.24 0.08 -0.76 -0.69 0.00 0.00 174.62 173.48 3gi8 s LEU 70 N 1.27 3.74 0.20 4.42 1.43 -1.26 -0.25 118.68 128.23 3gi8 s LEU 70 Ca -0.06 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3gi8 s LEU 70 Cb -0.14 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3gi8 s LEU 70 CO -0.02 0.10 0.01 0.42 0.23 0.00 0.00 176.35 177.09 3gi8 s THR 71 N 0.84 0.74 0.08 5.49 -4.23 -0.36 -4.98 115.64 113.22 3gi8 s THR 71 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3gi8 s THR 71 Cb -0.13 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 3gi8 s THR 71 CO 0.02 -0.37 -0.07 0.68 -0.54 0.00 0.00 174.62 174.35 3gi8 s VAL 72 N -3.62 0.61 -0.37 2.29 -7.23 -1.26 0.26 120.40 111.09 3gi8 s VAL 72 Ca 0.27 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3gi8 s VAL 72 Cb 0.06 -1.36 0.10 0.00 0.56 0.00 0.00 36.38 35.74 3gi8 s VAL 72 CO 0.07 -0.75 0.12 -0.62 -0.31 0.00 0.00 175.10 173.60 3gi8 s ASP 73 N -2.62 5.02 0.13 4.85 -1.08 0.15 -4.96 116.67 118.16 3gi8 s ASP 73 Ca 0.05 -1.96 -0.23 0.00 -0.52 0.00 0.00 52.55 49.89 3gi8 s ASP 73 Cb 0.01 -1.74 -0.04 0.00 -1.46 0.00 0.00 42.92 39.70 3gi8 s ASP 73 CO -0.04 -0.44 1.66 0.11 0.52 0.00 0.00 175.17 176.98 3gi8 h LYS 74 N 7.89 -0.23 -0.92 4.34 1.57 -1.87 0.25 116.57 127.59 3gi8 h LYS 74 Ca -0.11 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.86 3gi8 h LYS 74 Cb 1.04 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 3gi8 h LYS 74 CO 0.61 -0.16 0.59 1.03 -0.57 0.00 0.00 179.45 180.96 3gi8 h SER 75 N -0.24 0.57 -0.31 0.86 0.87 -1.97 -2.01 113.55 111.33 3gi8 h SER 75 Ca 0.08 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3gi8 h SER 75 Cb 0.36 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3gi8 h SER 75 CO -0.22 0.24 0.00 -1.54 -0.53 0.00 0.00 176.83 174.78 3gi8 n SER 76 N -4.58 2.88 -3.83 6.23 3.41 -1.06 -5.00 113.62 111.67 3gi8 n SER 76 Ca 0.20 -1.86 -0.28 0.00 -0.26 0.00 0.00 58.87 56.66 3gi8 n SER 76 Cb 0.60 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.38 3gi8 n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gi8 n SER 77 N 0.85 -4.78 -4.38 4.04 7.64 0.02 -4.74 113.62 112.28 3gi8 n SER 77 Ca 0.13 -0.73 -0.31 0.00 1.01 0.00 0.00 58.87 58.96 3gi8 n SER 77 Cb 0.44 -4.14 -0.15 0.00 -1.01 0.00 0.00 64.21 59.36 3gi8 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3gi8 s THR 78 N -3.34 2.44 -0.06 0.44 2.01 -0.88 -1.07 115.64 115.19 3gi8 s THR 78 Ca 0.59 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3gi8 s THR 78 Cb -0.29 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 3gi8 s THR 78 CO 0.81 0.54 -0.12 0.00 -0.69 0.00 0.00 174.62 175.17 3gi8 s ALA 79 N -0.69 2.78 0.00 7.40 0.00 0.20 0.34 121.76 131.79 3gi8 s ALA 79 Ca 0.11 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3gi8 s ALA 79 Cb -0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 3gi8 s ALA 79 CO 0.00 0.55 -0.22 -0.06 0.00 0.00 0.00 175.76 176.04 3gi8 s PHE 80 N -0.73 1.97 -0.19 0.00 0.08 0.14 0.27 117.98 119.52 3gi8 s PHE 80 Ca 0.11 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.80 3gi8 s PHE 80 Cb -0.11 -1.24 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 3gi8 s PHE 80 CO 0.01 0.01 -0.18 1.41 -0.10 0.00 0.00 175.22 176.37 3gi8 s MET 81 N -0.74 2.77 -0.24 0.44 -2.45 -0.12 -1.23 119.30 117.74 3gi8 s MET 81 Ca 0.09 -0.88 -0.21 0.00 -1.25 0.00 0.00 55.69 53.44 3gi8 s MET 81 Cb -0.09 -2.57 -0.02 0.00 1.25 0.00 0.00 34.83 33.41 3gi8 s MET 81 CO 0.00 -0.28 0.64 -1.14 1.05 0.00 0.00 175.02 175.30 3gi8 s GLN 82 N 1.29 4.14 -0.21 4.11 2.00 0.66 -1.01 119.66 130.63 3gi8 s GLN 82 Ca 0.03 0.59 -0.04 0.00 -2.00 0.00 0.00 55.36 53.94 3gi8 s GLN 82 Cb -0.14 -3.63 -0.01 0.00 0.80 0.00 0.00 33.01 30.03 3gi8 s GLN 82 CO -0.11 -0.38 -0.04 -0.51 -0.50 0.00 0.00 175.29 173.75 3gi8 s LEU 83 N 2.38 2.94 0.23 3.68 1.43 0.01 -1.10 118.68 128.26 3gi8 s LEU 83 Ca 0.27 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3gi8 s LEU 83 Cb -0.16 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3gi8 s LEU 83 CO 0.09 0.00 0.18 -0.44 0.23 0.00 0.00 176.35 176.41 3gi8 s SER 84 N 1.34 5.51 -1.18 2.29 0.01 -0.33 -1.36 113.70 119.99 3gi8 s SER 84 Ca 0.04 -0.22 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 3gi8 s SER 84 Cb -0.14 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.68 3gi8 s SER 84 CO -0.02 -0.01 0.73 -1.20 0.41 0.00 0.00 173.24 173.16 3gi8 n SER 85 N -0.95 -4.61 -4.70 2.44 7.64 -1.18 -4.82 113.62 107.43 3gi8 n SER 85 Ca -0.08 -1.09 -0.42 0.00 1.01 0.00 0.00 58.87 58.29 3gi8 n SER 85 Cb 0.57 -2.93 -0.03 0.00 -1.01 0.00 0.00 64.21 60.82 3gi8 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gi8 s LEU 86 N -6.76 4.32 0.52 -3.43 1.43 -0.80 -4.65 118.68 109.31 3gi8 s LEU 86 Ca 0.44 1.93 0.05 0.00 -1.03 0.00 0.00 54.13 55.53 3gi8 s LEU 86 Cb -0.18 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3gi8 s LEU 86 CO 0.89 -0.56 0.30 0.42 0.23 0.00 0.00 176.35 177.63 3gi8 s THR 87 N 1.82 1.66 0.41 5.49 -4.23 -1.26 0.25 115.64 119.78 3gi8 s THR 87 Ca 0.58 -1.61 0.34 0.00 -1.18 0.00 0.00 61.69 59.82 3gi8 s THR 87 Cb -0.27 -2.27 0.36 0.00 1.34 0.00 0.00 72.50 71.65 3gi8 s THR 87 CO 0.25 0.00 2.14 0.77 -0.54 0.00 0.00 174.62 177.24 3gi8 h SER 88 N 0.96 0.00 0.53 3.99 4.64 -1.97 -1.39 113.55 120.31 3gi8 h SER 88 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3gi8 h SER 88 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3gi8 h SER 88 CO 0.62 0.05 0.00 1.67 -0.87 0.00 0.00 176.83 178.31 3gi8 n GLN 89 N -3.35 0.04 0.00 4.77 -0.06 -1.26 -2.04 117.38 115.48 3gi8 n GLN 89 Ca -0.02 0.20 0.12 0.00 -2.00 0.00 0.00 57.00 55.30 3gi8 n GLN 89 Cb 0.21 -1.50 0.10 0.00 -4.06 0.00 0.00 30.24 24.99 3gi8 n GLN 89 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3gi8 n ASP 90 N -1.47 2.06 -4.59 1.69 8.00 -0.52 -4.86 116.55 116.86 3gi8 n ASP 90 Ca 0.05 -1.53 -0.42 0.00 0.71 0.00 0.00 54.79 53.59 3gi8 n ASP 90 Cb 0.18 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3gi8 n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gi8 s SER 91 N -2.35 5.87 0.21 -2.24 0.01 -0.86 -4.84 113.70 109.50 3gi8 s SER 91 Ca 0.22 1.12 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 3gi8 s SER 91 Cb 0.19 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.94 3gi8 s SER 91 CO 0.49 -1.76 0.88 0.00 0.41 0.00 0.00 173.24 173.27 3gi8 s ALA 92 N 6.97 -1.45 -0.11 1.44 0.00 -0.98 -4.76 121.76 122.87 3gi8 s ALA 92 Ca 0.76 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 3gi8 s ALA 92 Cb -0.20 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3gi8 s ALA 92 CO 0.32 -1.04 0.43 0.08 0.00 0.00 0.00 175.76 175.54 3gi8 s VAL 93 N -3.31 5.20 -0.23 0.00 1.01 0.42 -0.17 120.40 123.32 3gi8 s VAL 93 Ca 0.13 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 3gi8 s VAL 93 Cb -0.03 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3gi8 s VAL 93 CO 0.05 0.37 -0.05 -0.31 0.00 0.00 0.00 175.10 175.15 3gi8 s TYR 94 N 0.40 2.97 -0.05 5.22 2.02 0.04 -0.74 117.35 127.21 3gi8 s TYR 94 Ca 0.24 -1.13 -0.08 0.00 -0.37 0.00 0.00 57.07 55.72 3gi8 s TYR 94 Cb -0.15 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 3gi8 s TYR 94 CO 0.09 -0.61 0.23 -0.06 -1.57 0.00 0.00 175.55 173.63 3gi8 s PHE 95 N 1.43 3.62 0.07 2.71 0.08 0.11 -1.35 117.98 124.66 3gi8 s PHE 95 Ca 0.04 0.62 -0.02 0.00 0.12 0.00 0.00 56.93 57.70 3gi8 s PHE 95 Cb -0.15 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3gi8 s PHE 95 CO -0.04 0.68 0.26 0.00 -0.10 0.00 0.00 175.22 176.02 3gi8 s ALA 97 N -1.52 -1.22 0.36 0.00 0.00 0.33 -1.69 121.76 118.01 3gi8 s ALA 97 Ca 0.36 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.58 3gi8 s ALA 97 Cb -0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 23.12 22.00 3gi8 s ALA 97 CO 0.25 -0.25 0.96 0.50 0.00 0.00 0.00 175.76 177.22 3gi8 s ARG 98 N 0.70 4.45 -0.02 0.00 3.52 0.17 -0.10 118.95 127.66 3gi8 s ARG 98 Ca -0.04 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.88 3gi8 s ARG 98 Cb -0.05 -2.63 0.03 0.00 -1.56 0.00 0.00 34.95 30.74 3gi8 s ARG 98 CO -0.05 0.15 0.01 0.45 -0.81 0.00 0.00 175.30 175.06 3gi8 s SER 99 N -1.73 0.20 0.50 -2.12 0.15 -1.05 -2.57 113.70 107.08 3gi8 s SER 99 Ca 0.54 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 3gi8 s SER 99 Cb -0.17 -0.12 -0.08 0.00 -1.71 0.00 0.00 66.02 63.94 3gi8 s SER 99 CO 0.22 -0.10 0.95 -2.65 1.20 0.00 0.00 173.24 172.85 3gi8 n PRO 100 N 4.04 1.12 -3.77 5.44 -0.02 -1.26 -0.67 135.00 139.89 3gi8 n PRO 100 Ca -0.26 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.34 3gi8 n PRO 100 Cb 0.51 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 3gi8 n PRO 100 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3gi8 s HIS 101 N -1.40 1.54 -0.44 6.00 2.46 -1.26 -4.49 115.29 117.69 3gi8 s HIS 101 Ca 0.68 -1.38 -0.11 0.00 0.47 0.00 0.00 55.06 54.71 3gi8 s HIS 101 Cb -0.50 -1.41 0.08 0.00 -0.13 0.00 0.00 32.58 30.62 3gi8 s HIS 101 CO 0.53 -0.75 0.32 -0.47 -2.47 0.00 0.00 174.74 171.90 3gi8 s TYR 102 N 1.68 3.31 0.01 3.88 6.14 -1.26 -4.88 117.35 126.22 3gi8 s TYR 102 Ca 0.03 -1.34 -0.10 0.00 0.64 0.00 0.00 57.07 56.31 3gi8 s TYR 102 Cb -0.17 -3.08 -0.05 0.00 0.42 0.00 0.00 41.96 39.07 3gi8 s TYR 102 CO -0.15 -0.84 0.99 1.88 0.64 0.00 0.00 175.55 178.06 3gi8 h TYR 103 N 8.54 -0.32 -0.42 4.97 -1.99 -1.97 -3.26 116.97 122.52 3gi8 h TYR 103 Ca -0.25 -0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.20 3gi8 h TYR 103 Cb 1.09 0.11 -0.10 0.00 2.00 0.00 0.00 36.73 39.83 3gi8 h TYR 103 CO 0.63 -0.20 0.14 0.41 -0.00 0.00 0.00 178.16 179.13 3gi8 n GLY 104 N -0.72 3.58 3.27 3.88 0.00 -1.26 -4.87 105.19 109.07 3gi8 n GLY 104 Ca -0.04 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 3gi8 n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gi8 s THR 105 N -1.04 0.00 -2.66 2.61 -1.32 -1.23 -5.06 115.64 106.94 3gi8 s THR 105 Ca 0.40 -1.98 0.23 0.00 -1.21 0.00 0.00 61.69 59.14 3gi8 s THR 105 Cb 0.25 -2.50 0.32 0.00 -1.51 0.00 0.00 72.50 69.05 3gi8 s THR 105 CO -0.06 0.00 1.33 0.41 -2.21 0.00 0.00 174.62 174.09 3gi8 n THR 106 N -0.51 0.29 -3.11 5.08 -1.04 -1.26 -4.92 114.28 108.80 3gi8 n THR 106 Ca 0.05 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.05 61.03 3gi8 n THR 106 Cb 0.63 1.21 -0.05 0.00 -1.82 0.00 0.00 70.33 70.30 3gi8 n THR 106 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3gi8 s TYR 107 N -1.69 3.58 0.11 -1.42 1.51 -1.26 -5.08 117.35 113.10 3gi8 s TYR 107 Ca 0.34 1.18 0.07 0.00 -1.01 0.00 0.00 57.07 57.64 3gi8 s TYR 107 Cb 0.21 -2.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 3gi8 s TYR 107 CO 0.31 0.13 -0.07 -0.80 -1.11 0.00 0.00 175.55 174.00 3gi8 s ASN 108 N 0.68 4.55 0.16 2.29 0.01 -1.26 -4.67 114.94 116.69 3gi8 s ASN 108 Ca 0.35 -0.35 0.09 0.00 -0.71 0.00 0.00 52.86 52.23 3gi8 s ASN 108 Cb -0.17 -0.92 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 3gi8 s ASN 108 CO 0.17 0.17 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.41 3gi8 s TYR 109 N -1.30 1.89 0.00 2.20 2.02 -1.26 -5.14 117.35 115.76 3gi8 s TYR 109 Ca 0.23 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3gi8 s TYR 109 Cb -0.11 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3gi8 s TYR 109 CO 0.15 0.33 0.00 -0.35 -1.57 0.00 0.00 175.55 174.11 3gi8 n PRO 110 N 0.46 -0.04 -3.38 -1.71 -0.04 -1.26 -4.82 135.00 124.21 3gi8 n PRO 110 Ca -0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 3gi8 n PRO 110 Cb 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 3gi8 n PRO 110 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3gi8 s MET 111 N -2.75 3.03 0.11 0.54 -1.94 -1.26 -4.31 119.30 112.72 3gi8 s MET 111 Ca 0.00 -0.95 0.15 0.00 -1.71 0.00 0.00 55.69 53.18 3gi8 s MET 111 Cb 0.00 -4.00 -0.10 0.00 2.01 0.00 0.00 34.83 32.74 3gi8 s MET 111 CO 0.00 -0.86 1.01 0.38 -0.01 0.00 0.00 175.02 175.55 3gi8 h ASP 112 N 8.71 0.00 -3.62 3.03 3.04 -1.88 -3.46 116.42 122.23 3gi8 h ASP 112 Ca -0.27 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.15 3gi8 h ASP 112 Cb 1.11 0.00 -0.32 0.00 -1.04 0.00 0.00 39.33 39.08 3gi8 h ASP 112 CO 0.79 0.63 -0.76 -0.31 -2.04 0.00 0.00 179.24 177.55 3gi8 s TYR 113 N -2.89 0.56 0.16 4.15 1.51 -1.26 -5.03 117.35 114.55 3gi8 s TYR 113 Ca -0.01 -0.12 0.10 0.00 -1.01 0.00 0.00 57.07 56.03 3gi8 s TYR 113 Cb 0.08 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 3gi8 s TYR 113 CO 0.80 -0.11 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.32 3gi8 s TRP 114 N 0.58 2.07 0.83 2.71 0.52 -1.26 -0.66 118.94 123.73 3gi8 s TRP 114 Ca -0.07 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.53 3gi8 s TRP 114 Cb -0.10 -1.06 0.10 0.00 -1.15 0.00 0.00 33.47 31.26 3gi8 s TRP 114 CO -0.00 0.38 1.19 0.20 0.02 0.00 0.00 176.95 178.74 3gi8 s GLY 115 N -2.45 1.63 0.44 0.98 0.00 -0.69 -4.51 107.32 102.73 3gi8 s GLY 115 Ca 0.16 -0.78 0.29 0.00 0.00 0.00 0.00 44.72 44.39 3gi8 s GLY 115 CO 0.07 -0.24 1.83 1.46 0.00 0.00 0.00 173.10 176.22 3gi8 h GLN 116 N -1.12 0.00 0.00 2.90 1.08 -1.88 -3.45 115.11 112.63 3gi8 h GLN 116 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3gi8 h GLN 116 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 3gi8 h GLN 116 CO 0.60 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.89 3gi8 n GLY 117 N 0.39 1.43 3.24 3.46 0.00 -1.26 -5.00 105.19 107.45 3gi8 n GLY 117 Ca 0.02 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3gi8 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi8 s THR 118 N -2.22 3.12 -0.28 2.61 2.01 -0.45 -4.50 115.64 115.93 3gi8 s THR 118 Ca 0.00 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 3gi8 s THR 118 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.95 3gi8 s THR 118 CO 0.00 0.21 0.85 -0.94 -0.69 0.00 0.00 174.62 174.06 3gi8 s SER 119 N 1.38 6.78 -0.28 3.53 1.04 -0.53 -0.78 113.70 124.84 3gi8 s SER 119 Ca 0.01 0.88 -0.10 0.00 0.48 0.00 0.00 55.95 57.23 3gi8 s SER 119 Cb -0.16 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 3gi8 s SER 119 CO -0.03 -0.62 0.16 -0.69 0.98 0.00 0.00 173.24 173.05 3gi8 s VAL 120 N 3.02 5.06 -0.20 5.02 1.01 0.76 -1.24 120.40 133.83 3gi8 s VAL 120 Ca 0.36 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3gi8 s VAL 120 Cb -0.14 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3gi8 s VAL 120 CO 0.11 0.25 0.26 -0.89 0.00 0.00 0.00 175.10 174.83 3gi8 s THR 121 N 1.72 5.30 -0.37 3.92 2.01 0.78 -2.31 115.64 126.70 3gi8 s THR 121 Ca 0.07 0.43 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 3gi8 s THR 121 Cb -0.16 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.79 3gi8 s THR 121 CO 0.09 0.34 0.17 -0.69 -0.69 0.00 0.00 174.62 173.84 3gi8 s VAL 122 N 0.91 4.17 -0.10 3.82 1.01 -1.26 -1.22 120.40 127.73 3gi8 s VAL 122 Ca 0.13 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3gi8 s VAL 122 Cb -0.13 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 32.95 3gi8 s VAL 122 CO 0.05 -0.26 0.78 -0.55 0.00 0.00 0.00 175.10 175.12 3gi8 s SER 123 N 1.57 -0.58 0.32 3.32 0.15 -0.44 -4.64 113.70 113.40 3gi8 s SER 123 Ca 0.01 0.69 0.22 0.00 0.70 0.00 0.00 55.95 57.57 3gi8 s SER 123 Cb -0.20 0.55 0.17 0.00 -1.71 0.00 0.00 66.02 64.83 3gi8 s SER 123 CO 0.04 -0.50 1.33 0.28 1.20 0.00 0.00 173.24 175.59 3gi8 h SER 124 N 3.05 0.00 -3.51 5.45 0.02 -1.95 -3.34 113.55 113.27 3gi8 h SER 124 Ca -0.25 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.13 3gi8 h SER 124 Cb 1.15 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.83 3gi8 h SER 124 CO 0.34 0.03 0.35 0.00 -1.14 0.00 0.00 176.83 176.41 3gi8 n ALA 125 N -2.15 0.83 -2.07 3.77 0.00 -1.26 -4.98 120.51 114.64 3gi8 n ALA 125 Ca 0.02 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 3gi8 n ALA 125 Cb 0.55 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 3gi8 n ALA 125 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gi8 s LYS 126 N -2.39 3.98 -0.19 0.00 1.02 -1.26 -5.00 119.74 115.89 3gi8 s LYS 126 Ca 0.66 0.71 -0.29 0.00 0.02 0.00 0.00 55.97 57.08 3gi8 s LYS 126 Cb -0.48 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3gi8 s LYS 126 CO 0.54 0.04 1.49 -0.08 -0.92 0.00 0.00 175.35 176.42 3gi8 s THR 127 N -2.17 3.87 -0.04 2.17 -1.32 -1.26 -4.72 115.64 112.17 3gi8 s THR 127 Ca 0.55 1.02 0.03 0.00 -1.21 0.00 0.00 61.69 62.08 3gi8 s THR 127 Cb -0.10 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 3gi8 s THR 127 CO 0.21 -0.25 -0.14 0.42 -2.21 0.00 0.00 174.62 172.65 3gi8 s THR 128 N 4.50 1.21 0.65 5.08 -4.23 0.02 -4.97 115.64 117.91 3gi8 s THR 128 Ca 0.66 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 3gi8 s THR 128 Cb -0.24 -1.06 -0.00 0.00 1.34 0.00 0.00 72.50 72.53 3gi8 s THR 128 CO 0.25 0.36 1.11 -2.16 -0.54 0.00 0.00 174.62 173.64 3gi8 s PRO 129 N 0.20 2.86 0.52 3.99 0.04 -1.26 -1.70 135.00 139.65 3gi8 s PRO 129 Ca -0.06 1.38 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 3gi8 s PRO 129 Cb -0.12 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3gi8 s PRO 129 CO 0.02 -1.20 1.01 -1.25 0.04 0.00 0.00 177.00 175.62 3gi8 s PRO 130 N -4.08 3.80 -0.17 0.56 0.04 -1.26 -4.52 135.00 129.35 3gi8 s PRO 130 Ca 0.67 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 3gi8 s PRO 130 Cb -0.20 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3gi8 s PRO 130 CO 0.41 -0.41 0.29 -1.12 0.04 0.00 0.00 177.00 176.21 3gi8 s SER 131 N -2.69 6.41 -0.25 6.66 0.01 0.04 -4.93 113.70 118.94 3gi8 s SER 131 Ca 0.62 0.47 -0.06 0.00 1.31 0.00 0.00 55.95 58.30 3gi8 s SER 131 Cb -0.12 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 3gi8 s SER 131 CO 0.28 0.08 0.02 -0.69 0.41 0.00 0.00 173.24 173.34 3gi8 s VAL 132 N 0.61 3.77 -0.09 3.43 1.01 -1.26 -1.12 120.40 126.74 3gi8 s VAL 132 Ca 0.16 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3gi8 s VAL 132 Cb -0.13 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3gi8 s VAL 132 CO 0.04 0.28 -0.21 -0.31 0.00 0.00 0.00 175.10 174.90 3gi8 s TYR 133 N 1.51 2.60 0.56 5.22 1.51 0.51 -4.97 117.35 124.29 3gi8 s TYR 133 Ca 0.05 -0.82 -0.18 0.00 -1.01 0.00 0.00 57.07 55.10 3gi8 s TYR 133 Cb -0.15 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 3gi8 s TYR 133 CO 0.00 -0.29 1.08 -1.25 -1.11 0.00 0.00 175.55 173.99 3gi8 s PRO 134 N 0.16 3.36 -0.37 -1.71 0.04 -1.26 0.14 135.00 135.37 3gi8 s PRO 134 Ca -0.12 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3gi8 s PRO 134 Cb -0.16 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.46 3gi8 s PRO 134 CO 0.06 -0.80 0.12 -0.51 0.04 0.00 0.00 177.00 175.91 3gi8 s LEU 135 N -4.08 3.66 0.10 -3.56 1.43 0.04 -4.79 118.68 111.48 3gi8 s LEU 135 Ca 0.68 -2.19 0.08 0.00 -1.03 0.00 0.00 54.13 51.67 3gi8 s LEU 135 Cb -0.19 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 3gi8 s LEU 135 CO 0.30 -0.35 -0.16 0.00 0.23 0.00 0.00 176.35 176.37 3gi8 s ALA 136 N 0.87 2.75 0.40 4.21 0.00 -1.26 -1.59 121.76 127.14 3gi8 s ALA 136 Ca 0.12 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.53 3gi8 s ALA 136 Cb -0.20 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 3gi8 s ALA 136 CO -0.11 0.60 1.39 -0.35 0.00 0.00 0.00 175.76 177.30 3gi8 n PRO 137 N 0.93 2.30 -2.04 0.00 -0.04 -1.26 -4.95 135.00 129.94 3gi8 n PRO 137 Ca -0.15 0.81 -0.25 0.00 -0.04 0.00 0.00 63.50 63.87 3gi8 n PRO 137 Cb 0.52 -2.54 0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3gi8 n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gi8 n GLY 138 N 0.62 6.32 0.96 0.55 0.00 -1.26 -4.98 105.19 107.39 3gi8 n GLY 138 Ca 0.04 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.40 3gi8 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi8 n THR 143 N 0.42 0.00 0.00 0.00 5.66 -1.26 -5.35 114.28 113.75 3gi8 n THR 143 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3gi8 n THR 143 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3gi8 n THR 143 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gi8 n GLY 144 N 0.36 2.13 0.25 1.09 0.00 -1.26 -4.99 105.19 102.77 3gi8 n GLY 144 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.34 3gi8 n GLY 144 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gi8 h SER 145 N 0.00 -0.53 -2.99 1.61 0.02 -2.02 -3.44 113.55 106.21 3gi8 h SER 145 Ca 0.00 0.03 -0.49 0.00 -0.84 0.00 0.00 61.79 60.49 3gi8 h SER 145 Cb 0.00 0.15 -0.14 0.00 0.14 0.00 0.00 62.40 62.56 3gi8 h SER 145 CO 0.00 -0.34 -0.63 -0.94 -1.14 0.00 0.00 176.83 173.78 3gi8 s SER 146 N -4.72 2.64 -0.02 3.07 1.04 -1.26 -2.58 113.70 111.86 3gi8 s SER 146 Ca -0.16 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 54.99 3gi8 s SER 146 Cb 0.05 -0.14 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 3gi8 s SER 146 CO 0.64 -0.51 -0.13 0.54 0.98 0.00 0.00 173.24 174.75 3gi8 s VAL 147 N -3.15 1.10 -0.19 5.02 0.11 0.15 -4.75 120.40 118.69 3gi8 s VAL 147 Ca 0.34 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.76 3gi8 s VAL 147 Cb 0.07 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3gi8 s VAL 147 CO 0.15 0.32 0.06 -0.89 -3.33 0.00 0.00 175.10 171.41 3gi8 s THR 148 N -0.07 4.69 0.34 5.04 2.01 -1.26 -1.07 115.64 125.32 3gi8 s THR 148 Ca 0.00 -0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.03 3gi8 s THR 148 Cb -0.08 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 3gi8 s THR 148 CO 0.00 0.44 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.53 3gi8 s LEU 149 N 0.59 2.69 0.29 4.42 1.43 0.13 -4.71 118.68 123.52 3gi8 s LEU 149 Ca 0.03 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 51.81 3gi8 s LEU 149 Cb -0.13 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3gi8 s LEU 149 CO 0.01 -0.25 0.52 -0.83 0.23 0.00 0.00 176.35 176.03 3gi8 s GLY 150 N -3.59 0.76 -0.13 -3.19 0.00 -0.62 -0.31 107.32 100.25 3gi8 s GLY 150 Ca 0.32 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 3gi8 s GLY 150 CO 0.16 -0.68 0.23 0.00 0.00 0.00 0.00 173.10 172.80 3gi8 s LEU 152 N 2.36 4.04 -0.31 0.00 2.96 0.12 -2.09 118.68 125.77 3gi8 s LEU 152 Ca 0.03 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3gi8 s LEU 152 Cb -0.13 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.30 3gi8 s LEU 152 CO -0.09 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.17 3gi8 s VAL 153 N 1.85 3.31 0.04 1.68 1.01 -0.82 -0.37 120.40 127.11 3gi8 s VAL 153 Ca 0.12 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.93 3gi8 s VAL 153 Cb -0.16 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3gi8 s VAL 153 CO 0.10 -0.09 -0.14 -0.75 0.00 0.00 0.00 175.10 174.23 3gi8 s LYS 154 N 1.33 0.89 -0.92 2.72 2.20 -0.28 -0.69 119.74 124.99 3gi8 s LYS 154 Ca -0.03 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 3gi8 s LYS 154 Cb -0.19 -0.88 -0.02 0.00 -1.51 0.00 0.00 37.83 35.23 3gi8 s LYS 154 CO 0.00 0.21 0.78 0.41 -0.36 0.00 0.00 175.35 176.39 3gi8 n GLY 155 N 1.82 -0.35 3.43 5.54 0.00 -0.49 -0.78 105.19 114.36 3gi8 n GLY 155 Ca -0.19 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 3gi8 n GLY 155 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gi8 s TYR 156 N -3.29 2.12 -0.26 1.61 1.13 -0.97 -4.46 117.35 113.24 3gi8 s TYR 156 Ca 0.10 -0.40 -0.22 0.00 -1.41 0.00 0.00 57.07 55.13 3gi8 s TYR 156 Cb -0.01 -0.95 0.07 0.00 -1.10 0.00 0.00 41.96 39.97 3gi8 s TYR 156 CO 0.58 0.59 0.67 0.12 -2.51 0.00 0.00 175.55 175.01 3gi8 s PHE 157 N -2.54 -0.77 0.32 -3.49 5.36 -0.69 -0.45 117.98 115.71 3gi8 s PHE 157 Ca 0.27 1.84 -0.03 0.00 -0.96 0.00 0.00 56.93 58.05 3gi8 s PHE 157 Cb -0.04 0.29 0.07 0.00 -0.34 0.00 0.00 43.02 43.00 3gi8 s PHE 157 CO 0.12 -0.38 0.44 -0.35 -1.46 0.00 0.00 175.22 173.59 3gi8 n PRO 158 N 2.91 -0.03 -1.97 10.12 -0.04 -1.26 -0.80 135.00 143.93 3gi8 n PRO 158 Ca -0.15 -0.92 -0.39 0.00 -0.04 0.00 0.00 63.50 62.01 3gi8 n PRO 158 Cb 0.56 -0.37 0.01 0.00 -0.04 0.00 0.00 33.50 33.66 3gi8 n PRO 158 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gi8 s GLU 159 N -3.72 3.59 0.33 0.54 2.02 -1.26 -4.78 118.70 115.42 3gi8 s GLU 159 Ca 0.27 2.13 0.06 0.00 0.02 0.00 0.00 54.97 57.44 3gi8 s GLU 159 Cb -0.01 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 3gi8 s GLU 159 CO 0.18 -0.79 0.23 -1.54 0.02 0.00 0.00 175.26 173.36 3gi8 s SER 160 N -0.93 1.78 0.32 -0.19 1.04 -1.26 -4.98 113.70 109.48 3gi8 s SER 160 Ca 0.64 -1.71 0.09 0.00 0.48 0.00 0.00 55.95 55.45 3gi8 s SER 160 Cb -0.37 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 3gi8 s SER 160 CO 0.46 -1.01 0.09 0.68 0.98 0.00 0.00 173.24 174.43 3gi8 s VAL 161 N -3.46 3.06 -0.07 5.02 -7.23 -1.26 -4.26 120.40 112.20 3gi8 s VAL 161 Ca 0.37 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3gi8 s VAL 161 Cb 0.03 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 34.05 3gi8 s VAL 161 CO 0.23 -0.23 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.74 3gi8 s THR 162 N -2.42 1.45 -0.17 5.32 2.01 -0.19 -4.99 115.64 116.65 3gi8 s THR 162 Ca 0.36 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 3gi8 s THR 162 Cb -0.03 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 3gi8 s THR 162 CO 0.21 0.42 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.80 3gi8 s VAL 163 N 0.40 3.41 -0.02 3.82 1.01 -1.26 -1.14 120.40 126.62 3gi8 s VAL 163 Ca -0.13 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3gi8 s VAL 163 Cb -0.15 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3gi8 s VAL 163 CO 0.05 0.48 -0.22 0.42 0.00 0.00 0.00 175.10 175.83 3gi8 s THR 164 N 0.77 1.72 -0.15 3.92 -4.23 -0.37 -4.97 115.64 112.33 3gi8 s THR 164 Ca -0.03 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 3gi8 s THR 164 Cb -0.15 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 3gi8 s THR 164 CO 0.02 0.49 0.02 0.26 -0.54 0.00 0.00 174.62 174.86 3gi8 s TRP 165 N -0.51 3.17 -1.43 3.99 0.52 -1.26 -0.60 118.94 122.82 3gi8 s TRP 165 Ca 0.08 0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 3gi8 s TRP 165 Cb -0.08 -1.96 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 3gi8 s TRP 165 CO -0.01 0.20 0.57 0.09 0.02 0.00 0.00 176.95 177.82 3gi8 n ASN 166 N 3.11 -1.20 -0.80 2.95 4.13 -0.67 -0.71 115.26 122.07 3gi8 n ASN 166 Ca -0.17 -0.95 -0.10 0.00 1.68 0.00 0.00 54.58 55.03 3gi8 n ASN 166 Cb 0.53 -3.30 -0.04 0.00 -1.54 0.00 0.00 39.78 35.42 3gi8 n ASN 166 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3gi8 n SER 167 N -2.95 -5.38 0.00 6.41 2.88 -1.26 -2.74 113.62 110.57 3gi8 n SER 167 Ca -0.24 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3gi8 n SER 167 Cb 0.65 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 3gi8 n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gi8 n GLY 168 N -0.20 0.38 0.28 0.46 0.00 0.12 -4.97 105.19 101.26 3gi8 n GLY 168 Ca -0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.08 3gi8 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gi8 h SER 169 N 0.00 0.00 -3.78 1.61 4.64 -1.43 -3.40 113.55 111.18 3gi8 h SER 169 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3gi8 h SER 169 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 3gi8 h SER 169 CO 0.00 0.02 -0.54 -0.76 -0.87 0.00 0.00 176.83 174.68 3gi8 s LEU 170 N -6.24 3.91 0.00 5.97 1.43 -1.17 -4.83 118.68 117.75 3gi8 s LEU 170 Ca 0.01 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3gi8 s LEU 170 Cb 0.09 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3gi8 s LEU 170 CO 0.55 -0.02 0.00 -1.54 0.23 0.00 0.00 176.35 175.57 3gi8 n SER 171 N 4.86 0.00 0.01 2.29 3.41 -1.26 -4.41 113.62 118.51 3gi8 n SER 171 Ca -0.15 -0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.34 3gi8 n SER 171 Cb 0.52 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.67 3gi8 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3gi8 h SER 172 N 0.00 0.50 -2.07 4.04 0.02 -1.96 -3.32 113.55 110.76 3gi8 h SER 172 Ca 0.00 -0.17 -0.51 0.00 -0.84 0.00 0.00 61.79 60.27 3gi8 h SER 172 Cb 0.04 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 62.04 3gi8 h SER 172 CO 0.00 0.74 -1.06 -1.20 -1.14 0.00 0.00 176.83 174.17 3gi8 n SER 173 N -4.13 1.69 -4.19 3.07 7.64 -1.26 -5.07 113.62 111.37 3gi8 n SER 173 Ca -0.00 -3.16 -0.32 0.00 1.01 0.00 0.00 58.87 56.39 3gi8 n SER 173 Cb 0.40 -0.61 -0.17 0.00 -1.01 0.00 0.00 64.21 62.83 3gi8 n SER 173 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gi8 s VAL 174 N -2.87 2.04 -0.20 0.44 1.01 -1.25 -2.15 120.40 117.42 3gi8 s VAL 174 Ca 0.42 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3gi8 s VAL 174 Cb 0.33 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3gi8 s VAL 174 CO -0.09 0.55 -0.01 -1.00 0.00 0.00 0.00 175.10 174.55 3gi8 s HIS 175 N 0.57 3.02 -0.29 5.22 3.76 -0.69 -4.98 115.29 121.89 3gi8 s HIS 175 Ca -0.13 -0.50 -0.10 0.00 -0.15 0.00 0.00 55.06 54.18 3gi8 s HIS 175 Cb -0.17 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 3gi8 s HIS 175 CO 0.04 -0.26 0.16 0.99 -0.85 0.00 0.00 174.74 174.82 3gi8 s THR 176 N 0.99 4.85 -0.18 1.30 2.01 -1.26 -0.82 115.64 122.53 3gi8 s THR 176 Ca 0.01 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 3gi8 s THR 176 Cb -0.14 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3gi8 s THR 176 CO 0.01 0.16 0.39 -0.36 -0.69 0.00 0.00 174.62 174.14 3gi8 s PHE 177 N 1.67 3.41 0.37 4.92 0.08 0.00 -5.04 117.98 123.40 3gi8 s PHE 177 Ca 0.06 0.66 -0.27 0.00 0.12 0.00 0.00 56.93 57.50 3gi8 s PHE 177 Cb -0.16 -2.50 -0.12 0.00 -0.57 0.00 0.00 43.02 39.67 3gi8 s PHE 177 CO 0.08 0.07 1.25 -2.30 -0.10 0.00 0.00 175.22 174.21 3gi8 n PRO 178 N 4.17 1.97 -2.01 0.24 -0.02 -1.26 -3.63 135.00 134.45 3gi8 n PRO 178 Ca -0.09 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 3gi8 n PRO 178 Cb 0.51 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.71 3gi8 n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gi8 s ALA 179 N -1.14 2.96 0.17 3.55 0.00 -1.26 -4.78 121.76 121.26 3gi8 s ALA 179 Ca 0.58 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.79 3gi8 s ALA 179 Cb -0.56 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 3gi8 s ALA 179 CO 0.61 -1.00 -0.18 -0.51 0.00 0.00 0.00 175.76 174.67 3gi8 s LEU 180 N -3.14 2.45 -0.24 0.00 1.43 0.18 -4.93 118.68 114.43 3gi8 s LEU 180 Ca 0.66 -0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 3gi8 s LEU 180 Cb -0.35 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3gi8 s LEU 180 CO 0.43 -0.04 0.02 -0.22 0.23 0.00 0.00 176.35 176.77 3gi8 s LEU 181 N -2.75 3.25 -0.14 1.79 2.96 -1.26 -0.30 118.68 122.22 3gi8 s LEU 181 Ca 0.17 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3gi8 s LEU 181 Cb -0.05 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3gi8 s LEU 181 CO 0.07 -0.04 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.76 3gi8 s GLN 182 N 1.55 2.82 -1.41 1.98 1.11 0.49 -4.85 119.66 121.35 3gi8 s GLN 182 Ca 0.06 -0.78 -0.07 0.00 0.01 0.00 0.00 55.36 54.58 3gi8 s GLN 182 Cb -0.15 -2.33 0.04 0.00 -1.01 0.00 0.00 33.01 29.56 3gi8 s GLN 182 CO 0.01 -0.06 0.86 0.43 0.01 0.00 0.00 175.29 176.53 3gi8 n SER 183 N 4.21 -3.11 0.00 5.90 7.64 -1.26 -0.45 113.62 126.55 3gi8 n SER 183 Ca -0.20 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.90 3gi8 n SER 183 Cb 0.51 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 3gi8 n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gi8 n GLY 184 N -1.65 0.43 3.25 0.23 0.00 -1.26 -5.00 105.19 101.18 3gi8 n GLY 184 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3gi8 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gi8 s LEU 185 N 0.00 2.04 0.20 0.99 1.43 0.41 -4.84 118.68 118.90 3gi8 s LEU 185 Ca 0.00 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 3gi8 s LEU 185 Cb 0.00 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.87 3gi8 s LEU 185 CO 0.00 0.25 0.66 -0.31 0.23 0.00 0.00 176.35 177.18 3gi8 s TYR 186 N -0.27 3.61 -0.03 0.29 2.02 0.40 -0.38 117.35 123.00 3gi8 s TYR 186 Ca 0.01 1.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.98 3gi8 s TYR 186 Cb -0.12 -2.53 0.01 0.00 -0.40 0.00 0.00 41.96 38.93 3gi8 s TYR 186 CO 0.02 0.35 -0.05 0.99 -1.57 0.00 0.00 175.55 175.29 3gi8 s THR 187 N -1.54 0.56 0.34 -0.71 2.01 0.59 -1.39 115.64 115.50 3gi8 s THR 187 Ca 0.42 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.27 3gi8 s THR 187 Cb -0.16 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 3gi8 s THR 187 CO 0.20 0.21 0.12 0.00 -0.69 0.00 0.00 174.62 174.46 3gi8 s MET 188 N 0.61 1.71 -0.02 4.92 0.23 0.13 -0.65 119.30 126.23 3gi8 s MET 188 Ca -0.08 -1.99 -0.05 0.00 -1.03 0.00 0.00 55.69 52.54 3gi8 s MET 188 Cb -0.12 -0.46 0.00 0.00 -1.53 0.00 0.00 34.83 32.73 3gi8 s MET 188 CO 0.00 -0.39 0.11 0.45 -2.03 0.00 0.00 175.02 173.17 3gi8 s SER 189 N -3.47 -0.02 -0.03 -1.18 0.15 -1.24 -1.94 113.70 105.97 3gi8 s SER 189 Ca 0.32 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.96 3gi8 s SER 189 Cb 0.05 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 3gi8 s SER 189 CO 0.16 -0.22 -0.08 -0.55 1.20 0.00 0.00 173.24 173.75 3gi8 s SER 190 N -0.75 1.15 0.15 5.45 0.15 -0.89 -0.82 113.70 118.14 3gi8 s SER 190 Ca -0.08 -0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.50 3gi8 s SER 190 Cb -0.05 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3gi8 s SER 190 CO 0.01 0.05 -0.26 -0.55 1.20 0.00 0.00 173.24 173.68 3gi8 s SER 191 N 0.29 3.34 -0.10 5.45 0.15 -0.00 -1.22 113.70 121.61 3gi8 s SER 191 Ca -0.05 -0.78 -0.07 0.00 0.70 0.00 0.00 55.95 55.76 3gi8 s SER 191 Cb -0.09 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3gi8 s SER 191 CO 0.01 0.16 0.24 0.54 1.20 0.00 0.00 173.24 175.39 3gi8 s VAL 192 N -1.23 -0.02 -0.16 4.45 0.11 0.58 -1.71 120.40 122.42 3gi8 s VAL 192 Ca 0.16 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 3gi8 s VAL 192 Cb -0.09 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 3gi8 s VAL 192 CO 0.07 0.03 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.82 3gi8 s THR 193 N 0.73 2.52 0.04 5.04 2.01 -0.91 0.19 115.64 125.26 3gi8 s THR 193 Ca -0.05 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3gi8 s THR 193 Cb -0.06 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3gi8 s THR 193 CO -0.04 0.52 -0.07 0.68 -0.69 0.00 0.00 174.62 175.01 3gi8 s VAL 194 N 0.98 0.50 0.44 3.82 -7.23 -0.23 -4.74 120.40 113.93 3gi8 s VAL 194 Ca -0.02 -1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 3gi8 s VAL 194 Cb -0.15 -0.57 -0.10 0.00 0.56 0.00 0.00 36.38 36.13 3gi8 s VAL 194 CO -0.03 -0.36 1.18 -2.65 -0.31 0.00 0.00 175.10 172.92 3gi8 n PRO 195 N 1.56 1.67 0.27 4.82 -0.02 -1.26 0.30 135.00 142.35 3gi8 n PRO 195 Ca -0.22 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 3gi8 n PRO 195 Cb 0.55 -2.27 0.75 0.00 -0.02 0.00 0.00 33.50 32.51 3gi8 n PRO 195 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3gi8 h SER 196 N 1.80 0.00 0.56 2.55 0.02 -1.78 -2.25 113.55 114.45 3gi8 h SER 196 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3gi8 h SER 196 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3gi8 h SER 196 CO 0.58 0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.83 3gi8 n SER 197 N -3.73 0.00 -0.06 3.07 3.41 -1.26 -3.35 113.62 111.69 3gi8 n SER 197 Ca -0.02 0.37 -0.21 0.00 -0.26 0.00 0.00 58.87 58.74 3gi8 n SER 197 Cb 0.20 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 3gi8 n SER 197 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gi8 n THR 198 N -1.44 1.64 -5.19 6.66 -2.24 -0.84 -4.74 114.28 108.13 3gi8 n THR 198 Ca 0.06 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 3gi8 n THR 198 Cb 0.20 -1.67 -0.16 0.00 -2.10 0.00 0.00 70.33 66.60 3gi8 n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3gi8 s TRP 199 N -2.52 2.48 -0.54 4.78 -0.00 -1.21 0.11 118.94 122.02 3gi8 s TRP 199 Ca -0.29 -0.55 0.07 0.00 -0.00 0.00 0.00 56.10 55.33 3gi8 s TRP 199 Cb 0.08 -1.59 0.44 0.00 -0.00 0.00 0.00 33.47 32.40 3gi8 s TRP 199 CO 0.67 -0.11 1.23 -0.35 -0.00 0.00 0.00 176.95 178.40 3gi8 n PRO 200 N 2.75 2.98 0.03 5.86 -0.04 -1.26 -4.77 135.00 140.54 3gi8 n PRO 200 Ca -0.17 -1.73 -0.03 0.00 -0.04 0.00 0.00 63.50 61.53 3gi8 n PRO 200 Cb 0.52 -1.89 0.20 0.00 -0.04 0.00 0.00 33.50 32.29 3gi8 n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gi8 h SER 201 N 2.00 0.46 -0.46 3.54 4.64 -1.78 -3.45 113.55 118.50 3gi8 h SER 201 Ca 0.04 -0.16 -0.58 0.00 -0.47 0.00 0.00 61.79 60.62 3gi8 h SER 201 Cb 1.41 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 3gi8 h SER 201 CO 0.31 0.73 -0.26 -1.10 -0.87 0.00 0.00 176.83 175.64 3gi8 s GLN 202 N -4.43 2.24 -0.08 4.77 -1.52 0.29 -5.10 119.66 115.83 3gi8 s GLN 202 Ca -0.07 -2.03 -0.19 0.00 -1.95 0.00 0.00 55.36 51.13 3gi8 s GLN 202 Cb 0.14 -2.14 -0.04 0.00 -0.22 0.00 0.00 33.01 30.74 3gi8 s GLN 202 CO 0.79 -0.70 0.52 0.99 -0.25 0.00 0.00 175.29 176.64 3gi8 s THR 203 N -2.79 5.10 -0.11 -0.19 2.01 -1.26 -4.76 115.64 113.63 3gi8 s THR 203 Ca 0.35 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.42 3gi8 s THR 203 Cb -0.03 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3gi8 s THR 203 CO 0.22 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 3gi8 s VAL 204 N 0.35 1.17 -0.01 3.82 1.01 -1.26 -4.96 120.40 120.52 3gi8 s VAL 204 Ca 0.28 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3gi8 s VAL 204 Cb -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.08 3gi8 s VAL 204 CO 0.13 0.39 -0.05 -0.89 0.00 0.00 0.00 175.10 174.68 3gi8 s THR 205 N 1.48 0.41 -0.32 3.92 2.01 -1.26 -1.48 115.64 120.39 3gi8 s THR 205 Ca 0.01 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 3gi8 s THR 205 Cb -0.13 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.01 3gi8 s THR 205 CO -0.07 0.14 0.12 0.00 -0.69 0.00 0.00 174.62 174.12 3gi8 s SER 207 N 1.54 6.80 -0.32 0.00 0.01 0.23 -2.16 113.70 119.79 3gi8 s SER 207 Ca 0.03 0.98 -0.02 0.00 1.31 0.00 0.00 55.95 58.25 3gi8 s SER 207 Cb -0.18 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.73 3gi8 s SER 207 CO 0.04 -0.30 0.04 -0.69 0.41 0.00 0.00 173.24 172.74 3gi8 s VAL 208 N 1.88 3.02 -0.21 3.43 1.01 -0.20 -1.24 120.40 128.10 3gi8 s VAL 208 Ca 0.33 -1.54 -0.12 0.00 0.00 0.00 0.00 61.98 60.65 3gi8 s VAL 208 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3gi8 s VAL 208 CO 0.12 -0.23 0.23 0.00 0.00 0.00 0.00 175.10 175.21 3gi8 s ALA 209 N 1.22 3.61 -0.51 5.51 0.00 -0.29 -1.25 121.76 130.05 3gi8 s ALA 209 Ca -0.02 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3gi8 s ALA 209 Cb -0.20 -2.37 0.13 0.00 0.00 0.00 0.00 23.12 20.68 3gi8 s ALA 209 CO -0.02 -0.09 0.25 -1.58 0.00 0.00 0.00 175.76 174.32 3gi8 s HIS 210 N 0.86 3.17 0.21 0.00 2.46 0.34 -1.02 115.29 121.32 3gi8 s HIS 210 Ca 0.12 -3.15 -0.09 0.00 0.47 0.00 0.00 55.06 52.41 3gi8 s HIS 210 Cb -0.13 -2.80 0.32 0.00 -0.13 0.00 0.00 32.58 29.84 3gi8 s HIS 210 CO 0.04 -0.75 1.70 -1.35 -2.47 0.00 0.00 174.74 171.90 3gi8 h PRO 211 N 6.56 0.25 -0.99 2.88 0.11 -1.79 -2.15 132.00 136.88 3gi8 h PRO 211 Ca -0.08 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.21 3gi8 h PRO 211 Cb 0.90 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.84 3gi8 h PRO 211 CO 0.67 0.16 0.58 0.00 -0.21 0.00 0.00 178.00 179.21 3gi8 h ALA 212 N 1.50 1.64 -0.47 -0.75 0.00 -1.92 0.14 119.26 119.40 3gi8 h ALA 212 Ca 0.33 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gi8 h ALA 212 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gi8 h ALA 212 CO -0.42 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.61 3gi8 n SER 213 N -4.80 4.24 -3.92 0.00 3.41 -1.07 -4.98 113.62 106.50 3gi8 n SER 213 Ca 0.23 -2.58 -0.26 0.00 -0.26 0.00 0.00 58.87 56.01 3gi8 n SER 213 Cb 0.58 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3gi8 n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gi8 n SER 214 N 0.46 -0.76 -4.56 4.04 7.64 0.48 -4.98 113.62 115.95 3gi8 n SER 214 Ca 0.22 -1.00 -0.33 0.00 1.01 0.00 0.00 58.87 58.77 3gi8 n SER 214 Cb 0.83 -3.12 -0.11 0.00 -1.01 0.00 0.00 64.21 60.80 3gi8 n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3gi8 s THR 215 N -3.90 3.52 -0.19 0.44 2.01 -0.83 -5.00 115.64 111.68 3gi8 s THR 215 Ca 0.04 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 3gi8 s THR 215 Cb -0.02 -2.45 0.09 0.00 0.01 0.00 0.00 72.50 70.13 3gi8 s THR 215 CO 0.88 0.53 0.22 0.28 -0.69 0.00 0.00 174.62 175.84 3gi8 s THR 216 N -0.85 -0.32 -0.19 -0.82 -1.32 -1.26 -0.51 115.64 110.38 3gi8 s THR 216 Ca 0.14 -0.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 3gi8 s THR 216 Cb -0.11 -0.63 0.02 0.00 -1.51 0.00 0.00 72.50 70.28 3gi8 s THR 216 CO 0.03 -0.15 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.41 3gi8 s VAL 217 N 2.33 2.10 0.03 5.08 1.01 -0.38 -4.94 120.40 125.63 3gi8 s VAL 217 Ca 0.06 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 3gi8 s VAL 217 Cb -0.15 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.26 3gi8 s VAL 217 CO -0.11 0.50 0.50 -1.81 0.00 0.00 0.00 175.10 174.18 3gi8 s ASP 218 N 1.28 6.94 -0.06 3.32 -0.00 -1.26 -1.03 116.67 125.86 3gi8 s ASP 218 Ca 0.04 1.11 -0.01 0.00 -0.00 0.00 0.00 52.55 53.69 3gi8 s ASP 218 Cb -0.13 -2.31 0.03 0.00 -0.00 0.00 0.00 42.92 40.50 3gi8 s ASP 218 CO -0.12 0.28 0.00 -0.54 -0.00 0.00 0.00 175.17 174.79 3gi8 s LYS 219 N -0.99 0.51 0.40 8.23 1.02 -0.92 -5.00 119.74 122.99 3gi8 s LYS 219 Ca 0.27 0.12 -0.21 0.00 0.02 0.00 0.00 55.97 56.17 3gi8 s LYS 219 Cb -0.18 -0.85 -0.11 0.00 -0.52 0.00 0.00 37.83 36.18 3gi8 s LYS 219 CO 0.16 -0.27 0.92 0.21 -0.92 0.00 0.00 175.35 175.45 3gi8 s LYS 220 N 1.80 4.25 -0.26 1.68 2.20 -1.26 -1.95 119.74 126.21 3gi8 s LYS 220 Ca 0.02 1.09 -0.10 0.00 -0.36 0.00 0.00 55.97 56.63 3gi8 s LYS 220 Cb -0.13 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 3gi8 s LYS 220 CO -0.04 0.04 0.14 -0.51 -0.36 0.00 0.00 175.35 174.62 3gi8 s LEU 221 N -2.98 3.86 -0.08 5.43 1.43 -0.55 -4.94 118.68 120.85 3gi8 s LEU 221 Ca 0.59 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3gi8 s LEU 221 Cb -0.11 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3gi8 s LEU 221 CO 0.15 -0.01 -0.19 -1.61 0.23 0.00 0.00 176.35 174.92 3gi8 s GLU 222 N 1.51 2.82 0.00 1.70 0.41 -1.26 -4.77 118.70 119.11 3gi8 s GLU 222 Ca 0.07 -0.79 0.12 0.00 -0.41 0.00 0.00 54.97 53.96 3gi8 s GLU 222 Cb -0.15 -2.36 0.70 0.00 -1.78 0.00 0.00 34.13 30.54 3gi8 s GLU 222 CO 0.07 0.38 1.14 -0.35 -0.49 0.00 0.00 175.26 176.00