#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5q s SER 2 N 0.00 -0.55 0.81 1.61 1.04 -1.26 -5.15 113.70 110.21 1x5q s SER 2 Ca 0.00 0.86 -0.17 0.00 0.48 0.00 0.00 55.95 57.12 1x5q s SER 2 Cb 0.00 0.86 -0.12 0.00 0.10 0.00 0.00 66.02 66.86 1x5q s SER 2 CO 0.00 -0.35 -0.35 -0.24 0.98 0.00 0.00 173.24 173.28 1x5q n SER 3 N 2.02 -4.44 0.00 7.02 2.88 -1.26 -4.80 113.62 115.05 1x5q n SER 3 Ca -0.16 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x5q n SER 3 Cb 0.56 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1x5q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5q n GLY 4 N 2.82 -1.50 0.40 0.46 0.00 -1.26 -4.99 105.19 101.12 1x5q n GLY 4 Ca 0.03 0.65 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 1x5q n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5q h SER 5 N 0.00 -1.31 -3.28 1.61 0.02 -2.08 -3.47 113.55 105.03 1x5q h SER 5 Ca 0.00 0.17 0.35 0.00 -0.84 0.00 0.00 61.79 61.47 1x5q h SER 5 Cb 0.00 0.53 -0.14 0.00 0.14 0.00 0.00 62.40 62.93 1x5q h SER 5 CO 0.00 -0.42 -0.88 -0.24 -1.14 0.00 0.00 176.83 174.14 1x5q n SER 6 N -5.43 -8.20 0.00 3.07 2.88 -1.26 -5.03 113.62 99.64 1x5q n SER 6 Ca -0.04 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x5q n SER 6 Cb 0.36 -4.57 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 1x5q n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5q n GLY 7 N -4.19 5.14 3.06 0.46 0.00 -1.26 -5.15 105.19 103.25 1x5q n GLY 7 Ca -0.04 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.33 1x5q n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5q s GLU 8 N 2.86 0.50 -0.18 1.61 2.12 -1.26 -5.13 118.70 119.22 1x5q s GLU 8 Ca 0.00 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 1x5q s GLU 8 Cb 0.00 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 1x5q s GLU 8 CO 0.00 -0.78 1.29 -1.25 -0.54 0.00 0.00 175.26 173.98 1x5q s PRO 9 N 2.18 4.18 -0.03 4.30 0.04 -1.26 -5.00 135.00 139.41 1x5q s PRO 9 Ca 0.16 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 1x5q s PRO 9 Cb -0.03 -3.79 0.03 0.00 0.04 0.00 0.00 34.50 30.75 1x5q s PRO 9 CO -0.14 -0.78 0.03 0.00 0.04 0.00 0.00 177.00 176.15 1x5q s ALA 10 N 3.67 0.20 0.18 8.56 0.00 -1.26 -5.12 121.76 128.00 1x5q s ALA 10 Ca 0.56 0.22 -0.33 0.00 0.00 0.00 0.00 51.96 52.41 1x5q s ALA 10 Cb -0.21 -0.41 -0.13 0.00 0.00 0.00 0.00 23.12 22.37 1x5q s ALA 10 CO 0.16 -0.25 1.65 0.54 0.00 0.00 0.00 175.76 177.87 1x5q n ARG 11 N 4.60 2.47 -4.19 0.00 1.74 -1.26 -4.97 116.66 115.05 1x5q n ARG 11 Ca -0.18 0.89 -0.35 0.00 -0.77 0.00 0.00 57.85 57.44 1x5q n ARG 11 Cb 0.50 -2.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.14 1x5q n ARG 11 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x5q s ILE 12 N 1.05 4.55 -0.30 0.55 1.01 -1.26 -5.08 121.20 121.74 1x5q s ILE 12 Ca 0.77 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 61.03 1x5q s ILE 12 Cb -0.59 -2.99 0.19 0.00 0.01 0.00 0.00 42.46 39.08 1x5q s ILE 12 CO 0.35 0.54 1.41 -1.83 0.00 0.00 0.00 174.94 175.41 1x5q s GLU 13 N -0.25 0.09 0.81 2.79 -1.05 -1.26 -5.15 118.70 114.67 1x5q s GLU 13 Ca 0.07 0.10 -0.16 0.00 -0.15 0.00 0.00 54.97 54.83 1x5q s GLU 13 Cb -0.12 0.04 -0.14 0.00 -0.44 0.00 0.00 34.13 33.47 1x5q s GLU 13 CO 0.02 -0.01 -0.59 0.39 0.95 0.00 0.00 175.26 176.02 1x5q n GLU 14 N 1.57 0.00 -4.47 -4.83 1.02 -1.26 -4.83 120.64 107.85 1x5q n GLU 14 Ca -0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.82 1x5q n GLU 14 Cb 0.57 -0.92 -0.11 0.00 -0.02 0.00 0.00 31.44 30.96 1x5q n GLU 14 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1x5q s GLU 15 N -1.61 1.66 0.05 3.49 -1.05 0.53 -4.83 118.70 116.93 1x5q s GLU 15 Ca 0.41 -1.90 -0.22 0.00 -0.15 0.00 0.00 54.97 53.10 1x5q s GLU 15 Cb -0.24 -1.07 -0.06 0.00 -0.44 0.00 0.00 34.13 32.33 1x5q s GLU 15 CO 0.72 -0.10 0.67 -1.21 0.95 0.00 0.00 175.26 176.30 1x5q s GLU 16 N -3.81 4.39 0.14 -4.83 2.02 -1.26 -0.06 118.70 115.28 1x5q s GLU 16 Ca 0.34 0.89 0.03 0.00 0.02 0.00 0.00 54.97 56.25 1x5q s GLU 16 Cb 0.07 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1x5q s GLU 16 CO 0.15 0.41 -0.06 -0.51 0.02 0.00 0.00 175.26 175.26 1x5q s LEU 17 N -0.41 2.43 -0.03 1.80 1.43 0.20 -4.93 118.68 119.16 1x5q s LEU 17 Ca 0.34 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1x5q s LEU 17 Cb -0.20 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 45.85 1x5q s LEU 17 CO 0.20 -0.44 -0.09 -0.89 0.23 0.00 0.00 176.35 175.37 1x5q s THR 18 N -3.51 0.78 0.08 5.49 2.01 -1.26 -0.71 115.64 118.51 1x5q s THR 18 Ca 0.16 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1x5q s THR 18 Cb 0.04 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1x5q s THR 18 CO -0.01 0.25 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.29 1x5q s LEU 19 N 0.33 2.32 -0.05 4.42 1.43 0.21 -4.96 118.68 122.37 1x5q s LEU 19 Ca -0.05 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1x5q s LEU 19 Cb -0.10 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1x5q s LEU 19 CO 0.01 -0.15 -0.16 -0.89 0.23 0.00 0.00 176.35 175.39 1x5q s THR 20 N -1.67 1.36 0.13 5.49 2.01 -1.26 0.61 115.64 122.31 1x5q s THR 20 Ca -0.00 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 61.45 1x5q s THR 20 Cb -0.08 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1x5q s THR 20 CO 0.01 0.40 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.49 1x5q s ILE 21 N 0.28 2.57 -0.30 1.82 1.01 -0.52 -4.41 121.20 121.65 1x5q s ILE 21 Ca -0.09 -1.64 -0.17 0.00 0.00 0.00 0.00 60.65 58.76 1x5q s ILE 21 Cb -0.13 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1x5q s ILE 21 CO 0.03 0.09 0.47 -0.76 0.00 0.00 0.00 174.94 174.77 1x5q s LEU 22 N -2.13 4.17 -0.36 2.97 2.01 -1.25 -0.02 118.68 124.07 1x5q s LEU 22 Ca 0.16 0.22 -0.29 0.00 0.01 0.00 0.00 54.13 54.24 1x5q s LEU 22 Cb -0.10 -2.55 0.01 0.00 0.01 0.00 0.00 46.19 43.56 1x5q s LEU 22 CO 0.08 -0.33 1.29 -0.60 1.01 0.00 0.00 176.35 177.80 1x5q s ARG 23 N 2.26 3.80 -0.19 1.70 3.52 0.49 -4.94 118.95 125.58 1x5q s ARG 23 Ca 0.18 1.03 -0.02 0.00 -0.13 0.00 0.00 55.73 56.80 1x5q s ARG 23 Cb -0.16 -3.91 0.05 0.00 -1.56 0.00 0.00 34.95 29.38 1x5q s ARG 23 CO 0.11 -1.27 -0.00 -0.65 -0.81 0.00 0.00 175.30 172.68 1x5q s GLN 24 N 4.38 1.00 -0.63 5.12 -1.52 -1.26 -4.67 119.66 122.08 1x5q s GLN 24 Ca 0.55 -0.52 -0.05 0.00 -1.95 0.00 0.00 55.36 53.39 1x5q s GLN 24 Cb -0.14 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.54 1x5q s GLN 24 CO 0.26 -0.57 0.50 0.25 -0.25 0.00 0.00 175.29 175.49 1x5q n THR 25 N 4.94 -2.72 0.00 -0.19 -2.24 -1.26 -4.78 114.28 108.03 1x5q n THR 25 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1x5q n THR 25 Cb 0.47 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 1x5q n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5q n GLY 26 N -1.23 3.53 0.00 3.38 0.00 -1.26 -5.06 105.19 104.56 1x5q n GLY 26 Ca -0.24 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1x5q n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5q n GLY 27 N -1.37 -2.08 3.24 -0.02 0.00 -1.26 -4.81 105.19 98.89 1x5q n GLY 27 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1x5q n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5q n LEU 28 N 0.00 0.00 -3.22 0.99 4.77 -1.26 -4.50 117.00 113.78 1x5q n LEU 28 Ca 0.00 -3.16 -0.27 0.00 -0.03 0.00 0.00 56.01 52.55 1x5q n LEU 28 Cb 0.00 1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 42.56 1x5q n LEU 28 CO 0.00 -0.52 0.14 0.61 -1.33 0.00 0.00 177.39 176.29 1x5q n GLY 29 N -0.68 5.19 3.10 -0.72 0.00 -1.26 -4.99 105.19 105.83 1x5q n GLY 29 Ca 0.05 -2.78 -0.10 0.00 0.00 0.00 0.00 46.02 43.18 1x5q n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5q s ILE 30 N -3.37 0.10 0.01 -0.61 -4.36 -1.26 -1.85 121.20 109.86 1x5q s ILE 30 Ca 0.44 -0.85 0.06 0.00 -0.26 0.00 0.00 60.65 60.04 1x5q s ILE 30 Cb 0.20 -0.59 -0.03 0.00 1.25 0.00 0.00 42.46 43.29 1x5q s ILE 30 CO -0.07 -0.47 -0.18 -0.44 0.24 0.00 0.00 174.94 174.02 1x5q s SER 31 N -1.67 3.74 0.26 4.36 0.01 -0.04 -4.96 113.70 115.40 1x5q s SER 31 Ca -0.11 -0.37 0.11 0.00 1.31 0.00 0.00 55.95 56.88 1x5q s SER 31 Cb -0.05 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.50 1x5q s SER 31 CO -0.01 0.29 -0.10 0.27 0.41 0.00 0.00 173.24 174.11 1x5q s ILE 32 N -0.82 3.01 -0.15 1.44 -4.36 -1.26 0.14 121.20 119.21 1x5q s ILE 32 Ca 0.13 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.32 1x5q s ILE 32 Cb -0.10 -2.59 0.05 0.00 1.25 0.00 0.00 42.46 41.07 1x5q s ILE 32 CO 0.03 -0.36 0.38 0.00 0.24 0.00 0.00 174.94 175.23 1x5q s ALA 33 N -2.33 -0.94 0.00 2.27 0.00 -0.50 -4.67 121.76 115.60 1x5q s ALA 33 Ca 0.30 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1x5q s ALA 33 Cb -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1x5q s ALA 33 CO 0.17 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1x5q n GLY 34 N 3.57 0.45 0.00 0.00 0.00 -1.24 -2.61 105.19 105.36 1x5q n GLY 34 Ca -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1x5q n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5q n GLY 35 N 0.00 0.42 0.00 -0.02 0.00 -1.14 -4.40 105.19 100.05 1x5q n GLY 35 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1x5q n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5q n LYS 36 N 0.00 0.00 -0.72 1.61 4.81 -1.20 -2.84 118.16 119.82 1x5q n LYS 36 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1x5q n LYS 36 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1x5q n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5q n GLY 37 N 5.00 2.93 3.23 3.14 0.00 -1.26 -4.76 105.19 113.46 1x5q n GLY 37 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1x5q n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5q s SER 38 N 3.14 0.46 0.11 1.61 0.15 -1.26 -5.12 113.70 112.79 1x5q s SER 38 Ca 0.40 -1.37 -0.31 0.00 0.70 0.00 0.00 55.95 55.37 1x5q s SER 38 Cb 0.12 0.31 -0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1x5q s SER 38 CO -0.03 -0.79 1.42 -0.89 1.20 0.00 0.00 173.24 174.15 1x5q s THR 39 N -4.03 3.26 0.46 6.45 2.01 -1.26 -4.71 115.64 117.82 1x5q s THR 39 Ca 0.37 0.88 -0.21 0.00 0.31 0.00 0.00 61.69 63.04 1x5q s THR 39 Cb 0.07 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1x5q s THR 39 CO 0.11 0.06 1.04 -2.16 -0.69 0.00 0.00 174.62 172.98 1x5q s PRO 40 N 1.28 3.90 0.46 4.92 0.04 -1.26 -3.72 135.00 140.62 1x5q s PRO 40 Ca 0.65 1.40 0.26 0.00 0.04 0.00 0.00 61.00 63.36 1x5q s PRO 40 Cb -0.37 -2.22 0.87 0.00 0.04 0.00 0.00 34.50 32.82 1x5q s PRO 40 CO 0.30 -0.35 1.80 -0.92 0.04 0.00 0.00 177.00 177.87 1x5q h TYR 41 N 1.82 0.00 -1.68 0.56 5.03 -1.82 -3.44 116.97 117.44 1x5q h TYR 41 Ca -0.49 0.00 0.08 0.00 2.58 0.00 0.00 58.73 60.90 1x5q h TYR 41 Cb 1.22 0.00 -0.25 0.00 1.55 0.00 0.00 36.73 39.25 1x5q h TYR 41 CO 0.57 0.15 0.28 -1.59 -1.32 0.00 0.00 178.16 176.24 1x5q s LYS 42 N -3.51 0.49 0.48 1.82 -2.85 -1.26 -5.14 119.74 109.77 1x5q s LYS 42 Ca 0.02 0.83 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 1x5q s LYS 42 Cb 0.09 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1x5q s LYS 42 CO 0.63 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.38 1x5q n GLY 43 N 3.82 -2.58 3.34 0.59 0.00 -1.26 -4.08 105.19 105.02 1x5q n GLY 43 Ca -0.19 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1x5q n GLY 43 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5q n ASP 44 N -4.32 3.53 -3.63 1.61 2.03 -1.26 -4.67 116.55 109.85 1x5q n ASP 44 Ca -0.05 -2.77 -0.29 0.00 0.52 0.00 0.00 54.79 52.20 1x5q n ASP 44 Cb 0.66 -1.58 -0.15 0.00 -0.72 0.00 0.00 41.12 39.33 1x5q n ASP 44 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1x5q s ASP 45 N 5.05 3.56 -0.80 1.67 1.11 -1.26 -5.02 116.67 120.99 1x5q s ASP 45 Ca 0.59 -1.31 -0.06 0.00 0.18 0.00 0.00 52.55 51.95 1x5q s ASP 45 Cb 0.06 -0.54 -0.08 0.00 1.07 0.00 0.00 42.92 43.44 1x5q s ASP 45 CO 0.08 -0.41 2.25 -0.62 1.18 0.00 0.00 175.17 177.66 1x5q n GLU 46 N 5.10 2.07 -4.54 8.23 1.02 -1.26 -4.61 120.64 126.64 1x5q n GLU 46 Ca -0.05 -1.36 -0.25 0.00 -0.02 0.00 0.00 57.16 55.48 1x5q n GLU 46 Cb 0.43 -2.35 -0.11 0.00 -0.02 0.00 0.00 31.44 29.39 1x5q n GLU 46 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1x5q s GLY 47 N 3.08 2.23 -0.29 0.62 0.00 -1.13 -4.29 107.32 107.55 1x5q s GLY 47 Ca 0.43 -2.13 -0.20 0.00 0.00 0.00 0.00 44.72 42.81 1x5q s GLY 47 CO -0.03 -2.00 0.63 -0.42 0.00 0.00 0.00 173.10 171.28 1x5q s ILE 48 N -2.79 4.95 0.20 0.90 -1.09 -1.26 -2.89 121.20 119.22 1x5q s ILE 48 Ca 0.33 0.96 0.11 0.00 -2.23 0.00 0.00 60.65 59.83 1x5q s ILE 48 Cb 0.06 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1x5q s ILE 48 CO 0.16 -0.08 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.21 1x5q s PHE 49 N 2.57 2.33 0.03 3.97 0.40 -1.07 -0.88 117.98 125.33 1x5q s PHE 49 Ca 0.26 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 1x5q s PHE 49 Cb -0.15 -1.15 -0.06 0.00 0.51 0.00 0.00 43.02 42.17 1x5q s PHE 49 CO 0.11 0.51 1.44 0.42 0.70 0.00 0.00 175.22 178.40 1x5q s ILE 50 N -1.72 3.56 -0.16 0.64 -1.09 0.20 -1.41 121.20 121.22 1x5q s ILE 50 Ca 0.22 0.99 -0.01 0.00 -2.23 0.00 0.00 60.65 59.61 1x5q s ILE 50 Cb -0.08 -3.63 -0.23 0.00 -1.58 0.00 0.00 42.46 36.94 1x5q s ILE 50 CO 0.11 0.01 0.18 -0.24 -1.23 0.00 0.00 174.94 173.77 1x5q n SER 51 N 5.22 1.86 -3.65 3.58 2.88 0.38 -2.08 113.62 121.80 1x5q n SER 51 Ca 0.13 0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 1x5q n SER 51 Cb 0.43 -0.55 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 1x5q n SER 51 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x5q s ARG 52 N -2.55 0.93 -0.28 -1.46 6.06 -1.11 -4.90 118.95 115.64 1x5q s ARG 52 Ca -0.24 -0.30 -0.02 0.00 -2.50 0.00 0.00 55.73 52.67 1x5q s ARG 52 Cb 0.07 0.42 0.09 0.00 0.06 0.00 0.00 34.95 35.60 1x5q s ARG 52 CO 0.72 -0.32 0.09 0.08 -2.50 0.00 0.00 175.30 173.38 1x5q s VAL 53 N -2.33 0.57 -0.50 7.11 1.01 -1.26 -0.86 120.40 124.13 1x5q s VAL 53 Ca -0.06 -1.08 -0.35 0.00 0.00 0.00 0.00 61.98 60.49 1x5q s VAL 53 Cb -0.01 -1.37 -0.14 0.00 0.00 0.00 0.00 36.38 34.86 1x5q s VAL 53 CO -0.01 -0.60 2.29 -1.20 0.00 0.00 0.00 175.10 175.58 1x5q n SER 54 N 4.99 1.60 -0.21 3.32 7.64 -0.77 -4.79 113.62 125.41 1x5q n SER 54 Ca -0.04 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.13 1x5q n SER 54 Cb 0.43 -1.18 0.05 0.00 -1.01 0.00 0.00 64.21 62.50 1x5q n SER 54 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x5q h GLU 55 N 12.58 -0.05 -1.23 1.43 5.08 -1.98 0.42 114.58 130.83 1x5q h GLU 55 Ca -0.20 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.68 1x5q h GLU 55 Cb 1.33 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.38 1x5q h GLU 55 CO 1.11 -0.03 0.62 -1.91 -1.00 0.00 0.00 179.01 177.80 1x5q n GLU 56 N -5.44 2.20 -3.77 2.33 2.13 -1.26 -4.75 120.64 112.08 1x5q n GLU 56 Ca 0.07 -2.38 -0.26 0.00 0.66 0.00 0.00 57.16 55.25 1x5q n GLU 56 Cb 0.34 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1x5q n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x5q n GLY 57 N -0.33 2.73 0.11 8.31 0.00 0.15 -5.06 105.19 111.09 1x5q n GLY 57 Ca 0.46 -2.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1x5q n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5q h PRO 58 N 0.00 0.26 -0.50 1.61 0.13 -1.85 -3.23 132.00 128.43 1x5q h PRO 58 Ca -0.34 -0.26 0.10 0.00 -0.87 0.00 0.00 66.00 64.63 1x5q h PRO 58 Cb 1.25 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1x5q h PRO 58 CO 0.53 0.95 -0.01 0.00 -0.23 0.00 0.00 178.00 179.24 1x5q h ALA 59 N 0.32 0.46 -0.91 -0.56 0.00 -1.87 0.21 119.26 116.92 1x5q h ALA 59 Ca -0.04 0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.25 1x5q h ALA 59 Cb 1.05 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1x5q h ALA 59 CO 0.07 -0.39 0.42 0.00 0.00 0.00 0.00 179.25 179.35 1x5q h ALA 60 N 1.45 1.48 -0.43 0.00 0.00 -1.72 0.38 119.26 120.41 1x5q h ALA 60 Ca 0.25 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1x5q h ALA 60 Cb 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1x5q h ALA 60 CO -0.43 -0.32 0.22 0.00 0.00 0.00 0.00 179.25 178.72 1x5q h ARG 61 N 0.44 0.61 -0.59 0.00 3.08 -0.63 -1.77 114.38 115.52 1x5q h ARG 61 Ca 0.57 -0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.65 1x5q h ARG 61 Cb 1.07 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1x5q h ARG 61 CO -0.51 0.52 0.40 0.00 -1.07 0.00 0.00 179.97 179.31 1x5q h ALA 62 N 1.06 2.12 0.00 0.04 0.00 0.59 -3.45 119.26 119.62 1x5q h ALA 62 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x5q h ALA 62 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x5q h ALA 62 CO -0.02 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.37 1x5q n GLY 63 N -1.54 1.98 3.78 0.00 0.00 -0.43 -4.70 105.19 104.28 1x5q n GLY 63 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1x5q n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5q s VAL 64 N -2.00 3.64 -0.03 1.61 0.11 -1.06 -5.03 120.40 117.64 1x5q s VAL 64 Ca 0.00 1.19 0.03 0.00 -2.93 0.00 0.00 61.98 60.27 1x5q s VAL 64 Cb 0.00 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1x5q s VAL 64 CO 0.00 -0.06 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.46 1x5q s ARG 65 N -2.73 1.26 0.41 1.54 0.52 -1.26 -4.74 118.95 113.96 1x5q s ARG 65 Ca 0.61 -0.40 -0.26 0.00 -0.52 0.00 0.00 55.73 55.16 1x5q s ARG 65 Cb -0.21 -1.13 -0.10 0.00 0.52 0.00 0.00 34.95 34.02 1x5q s ARG 65 CO 0.27 0.14 1.37 0.28 0.02 0.00 0.00 175.30 177.38 1x5q n VAL 66 N 3.31 2.40 0.00 3.52 0.31 -1.26 -2.01 118.33 124.60 1x5q n VAL 66 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1x5q n VAL 66 Cb 0.54 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1x5q n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x5q n GLY 67 N 0.65 2.31 3.68 2.92 0.00 -0.89 -4.96 105.19 108.90 1x5q n GLY 67 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1x5q n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5q n ASP 68 N 0.00 2.67 -4.33 1.61 8.00 -0.85 -4.49 116.55 119.15 1x5q n ASP 68 Ca 0.00 1.17 -0.47 0.00 0.71 0.00 0.00 54.79 56.21 1x5q n ASP 68 Cb 0.00 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 39.63 1x5q n ASP 68 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1x5q s LYS 69 N -1.15 3.43 0.33 -1.24 2.20 -0.99 -0.63 119.74 121.70 1x5q s LYS 69 Ca 0.62 -2.21 -0.27 0.00 -0.36 0.00 0.00 55.97 53.75 1x5q s LYS 69 Cb -0.61 -4.41 -0.13 0.00 -1.51 0.00 0.00 37.83 31.17 1x5q s LYS 69 CO 0.56 -1.33 1.08 -0.11 -0.36 0.00 0.00 175.35 175.19 1x5q n LEU 70 N 4.48 2.44 0.00 5.43 0.00 -0.06 -0.27 117.00 129.02 1x5q n LEU 70 Ca 0.06 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.23 1x5q n LEU 70 Cb 0.45 -1.36 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1x5q n LEU 70 CO 0.40 -1.17 -0.49 0.18 0.00 0.00 0.00 177.39 176.31 1x5q n LEU 71 N 0.95 2.22 -3.76 -1.96 4.77 0.54 -4.49 117.00 115.28 1x5q n LEU 71 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1x5q n LEU 71 Cb 0.35 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1x5q n LEU 71 CO 0.60 0.37 0.03 -0.70 -1.33 0.00 0.00 177.39 176.36 1x5q s GLU 72 N -1.98 0.65 -0.12 3.23 -6.30 -0.89 0.12 118.70 113.40 1x5q s GLU 72 Ca 0.00 -0.13 -0.03 0.00 -2.50 0.00 0.00 54.97 52.31 1x5q s GLU 72 Cb 0.00 0.29 0.05 0.00 0.00 0.00 0.00 34.13 34.47 1x5q s GLU 72 CO 0.00 -0.17 0.05 0.08 0.02 0.00 0.00 175.26 175.24 1x5q s VAL 73 N -1.19 0.14 0.00 3.70 1.01 0.31 0.12 120.40 124.49 1x5q s VAL 73 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1x5q s VAL 73 Cb -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1x5q s VAL 73 CO 0.04 -0.04 0.00 -3.20 0.00 0.00 0.00 175.10 171.90 1x5q n ASN 74 N 5.21 -1.09 0.00 3.32 2.85 0.25 -2.47 115.26 123.33 1x5q n ASN 74 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1x5q n ASN 74 Cb 0.49 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1x5q n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5q n GLY 75 N -2.16 2.62 3.71 8.20 0.00 -1.26 -4.97 105.19 111.33 1x5q n GLY 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1x5q n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5q s VAL 76 N -2.31 4.30 -0.23 1.61 0.11 -1.03 -4.97 120.40 117.87 1x5q s VAL 76 Ca 0.00 1.68 -0.29 0.00 -2.93 0.00 0.00 61.98 60.44 1x5q s VAL 76 Cb 0.00 -4.08 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 1x5q s VAL 76 CO 0.00 0.15 1.32 0.00 -3.33 0.00 0.00 175.10 173.23 1x5q s ALA 77 N 0.92 3.49 -0.44 1.54 0.00 -1.26 -0.53 121.76 125.47 1x5q s ALA 77 Ca 0.56 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1x5q s ALA 77 Cb -0.27 -3.72 0.57 0.00 0.00 0.00 0.00 23.12 19.71 1x5q s ALA 77 CO 0.29 -1.53 1.78 1.28 0.00 0.00 0.00 175.76 177.58 1x5q n LEU 78 N 7.25 6.14 -4.43 0.00 4.77 0.33 -4.70 117.00 126.36 1x5q n LEU 78 Ca 0.15 -3.87 -0.44 0.00 -0.03 0.00 0.00 56.01 51.82 1x5q n LEU 78 Cb 0.46 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1x5q n LEU 78 CO 0.60 1.26 1.60 0.00 -1.33 0.00 0.00 177.39 179.53 1x5q n GLN 79 N -1.07 3.34 0.00 3.23 6.02 -1.17 -3.90 117.38 123.84 1x5q n GLN 79 Ca 0.53 -3.67 0.00 0.00 -0.01 0.00 0.00 57.00 53.84 1x5q n GLN 79 Cb 1.26 -3.14 0.00 0.00 1.02 0.00 0.00 30.24 29.38 1x5q n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x5q n GLY 80 N 4.27 0.87 3.39 1.08 0.00 -1.26 -5.08 105.19 108.47 1x5q n GLY 80 Ca 0.40 -0.20 -0.51 0.00 0.00 0.00 0.00 46.02 45.71 1x5q n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5q n ALA 81 N 0.00 -3.14 -0.85 4.61 0.00 -1.25 -3.24 120.51 116.64 1x5q n ALA 81 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 53.44 53.63 1x5q n ALA 81 Cb 0.00 -1.65 0.17 0.00 0.00 0.00 0.00 19.45 17.98 1x5q n ALA 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x5q s GLU 82 N -0.62 0.76 0.13 0.00 2.02 -1.26 -4.06 118.70 115.67 1x5q s GLU 82 Ca 0.73 1.16 -0.27 0.00 0.02 0.00 0.00 54.97 56.62 1x5q s GLU 82 Cb -1.04 -1.73 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 1x5q s GLU 82 CO 0.56 -2.68 1.46 1.25 0.02 0.00 0.00 175.26 175.86 1x5q h HIS 83 N -1.89 -1.56 -0.38 1.61 2.76 -1.89 0.23 115.15 114.02 1x5q h HIS 83 Ca -0.49 0.10 0.07 0.00 -2.20 0.00 0.00 60.37 57.85 1x5q h HIS 83 Cb 1.28 0.77 -0.09 0.00 1.55 0.00 0.00 27.41 30.93 1x5q h HIS 83 CO 0.44 -0.34 -0.37 1.12 -1.30 0.00 0.00 177.93 177.47 1x5q h HIS 84 N -0.09 -1.07 -0.89 5.26 2.07 -1.95 0.28 115.15 118.76 1x5q h HIS 84 Ca 0.12 0.06 0.24 0.00 -2.85 0.00 0.00 60.37 57.94 1x5q h HIS 84 Cb 0.39 0.52 -0.14 0.00 2.57 0.00 0.00 27.41 30.75 1x5q h HIS 84 CO -0.94 -0.41 0.30 0.93 -3.07 0.00 0.00 177.93 174.74 1x5q h GLU 85 N -0.30 0.24 0.65 5.12 5.08 -1.08 0.81 114.58 125.11 1x5q h GLU 85 Ca 0.15 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1x5q h GLU 85 Cb 0.57 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1x5q h GLU 85 CO -0.55 0.16 -0.31 0.00 -1.00 0.00 0.00 179.01 177.31 1x5q h ALA 86 N 1.78 -1.00 -0.60 3.43 0.00 0.24 -2.67 119.26 120.43 1x5q h ALA 86 Ca 0.57 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.40 1x5q h ALA 86 Cb 1.17 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 1x5q h ALA 86 CO -0.63 -0.93 -0.28 0.28 0.00 0.00 0.00 179.25 177.68 1x5q h VAL 87 N -1.08 0.22 -0.87 0.00 2.07 0.62 0.22 116.25 117.43 1x5q h VAL 87 Ca -0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1x5q h VAL 87 Cb 0.67 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 1x5q h VAL 87 CO 0.15 0.00 -0.39 -0.08 0.02 0.00 0.00 177.57 177.27 1x5q h GLU 88 N -0.12 -0.05 -0.63 1.57 4.22 0.60 1.15 114.58 121.33 1x5q h GLU 88 Ca 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.68 1x5q h GLU 88 Cb 0.53 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1x5q h GLU 88 CO -0.68 -0.04 0.31 0.00 -2.18 0.00 0.00 179.01 176.43 1x5q h ALA 89 N 1.19 0.81 0.43 2.92 0.00 -0.52 0.41 119.26 124.50 1x5q h ALA 89 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x5q h ALA 89 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1x5q h ALA 89 CO -0.89 0.36 -0.42 -0.07 0.00 0.00 0.00 179.25 178.22 1x5q h LEU 90 N 0.86 -1.15 -2.09 0.00 3.38 0.33 -1.05 115.31 115.60 1x5q h LEU 90 Ca 0.22 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1x5q h LEU 90 Cb 0.10 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x5q h LEU 90 CO -0.03 -0.58 -0.08 0.08 0.09 0.00 0.00 178.44 177.92 1x5q h ARG 91 N -0.87 0.00 -4.63 1.13 0.11 0.12 -3.35 114.38 106.89 1x5q h ARG 91 Ca -0.04 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.32 1x5q h ARG 91 Cb 0.77 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 31.64 1x5q h ARG 91 CO -0.06 0.08 0.46 0.20 0.10 0.00 0.00 179.97 180.75 1x5q s GLY 92 N -4.16 2.09 -0.08 0.08 0.00 0.14 -4.94 107.32 100.45 1x5q s GLY 92 Ca -0.04 -2.78 -0.32 0.00 0.00 0.00 0.00 44.72 41.58 1x5q s GLY 92 CO 0.59 1.71 1.13 0.00 0.00 0.00 0.00 173.10 176.52 1x5q s ALA 93 N 2.01 -2.01 0.00 3.20 0.00 -1.26 -4.73 121.76 118.99 1x5q s ALA 93 Ca 0.24 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1x5q s ALA 93 Cb -0.11 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1x5q s ALA 93 CO -0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1x5q n GLY 94 N -0.24 2.79 0.00 0.00 0.00 -1.26 -5.03 105.19 101.45 1x5q n GLY 94 Ca -0.04 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1x5q n GLY 94 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x5q n THR 95 N -0.36 0.00 -2.51 2.61 5.66 -1.26 -3.72 114.28 114.70 1x5q n THR 95 Ca 0.00 1.26 -0.42 0.00 -3.05 0.00 0.00 64.05 61.84 1x5q n THR 95 Cb 0.00 -1.75 -0.02 0.00 -1.55 0.00 0.00 70.33 67.00 1x5q n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5q s ALA 96 N -3.54 3.00 -0.43 1.79 0.00 -1.24 0.18 121.76 121.53 1x5q s ALA 96 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1x5q s ALA 96 Cb 0.00 -4.01 0.04 0.00 0.00 0.00 0.00 23.12 19.15 1x5q s ALA 96 CO 0.00 -2.59 0.33 0.08 0.00 0.00 0.00 175.76 173.58 1x5q s VAL 97 N 5.15 5.25 -0.15 0.00 1.01 0.97 -4.86 120.40 127.77 1x5q s VAL 97 Ca 0.49 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1x5q s VAL 97 Cb -0.09 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1x5q s VAL 97 CO 0.28 -0.39 0.90 -1.58 0.00 0.00 0.00 175.10 174.31 1x5q s GLN 98 N 1.67 4.34 -0.15 2.72 0.74 -1.26 -1.43 119.66 126.28 1x5q s GLN 98 Ca 0.05 1.16 -0.00 0.00 0.05 0.00 0.00 55.36 56.61 1x5q s GLN 98 Cb -0.21 -3.56 0.03 0.00 1.10 0.00 0.00 33.01 30.38 1x5q s GLN 98 CO 0.09 -0.32 -0.09 -1.64 -0.55 0.00 0.00 175.29 172.78 1x5q s MET 99 N 2.10 1.74 -0.53 1.67 -1.94 0.20 0.86 119.30 123.40 1x5q s MET 99 Ca 0.42 -0.51 -0.21 0.00 -1.71 0.00 0.00 55.69 53.67 1x5q s MET 99 Cb -0.17 -1.99 0.05 0.00 2.01 0.00 0.00 34.83 34.73 1x5q s MET 99 CO 0.14 -0.35 0.77 0.50 -0.01 0.00 0.00 175.02 176.07 1x5q s ARG 100 N 1.58 3.21 0.26 2.03 3.52 0.32 -0.62 118.95 129.25 1x5q s ARG 100 Ca 0.02 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.04 1x5q s ARG 100 Cb -0.14 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 1x5q s ARG 100 CO -0.09 -1.36 0.34 0.14 -0.81 0.00 0.00 175.30 173.52 1x5q s VAL 101 N 3.23 4.80 -0.16 7.11 -7.23 0.11 0.20 120.40 128.47 1x5q s VAL 101 Ca 0.22 -1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1x5q s VAL 101 Cb -0.16 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 1x5q s VAL 101 CO 0.15 -0.30 -0.14 0.86 -0.31 0.00 0.00 175.10 175.35 1x5q s TRP 102 N -2.06 2.80 0.12 2.82 -0.00 0.63 0.59 118.94 123.83 1x5q s TRP 102 Ca 0.36 -1.00 -0.20 0.00 -0.00 0.00 0.00 56.10 55.26 1x5q s TRP 102 Cb -0.09 -1.90 0.05 0.00 -0.00 0.00 0.00 33.47 31.54 1x5q s TRP 102 CO 0.28 -0.45 0.50 0.50 -0.00 0.00 0.00 176.95 177.78 1x5q s ARG 103 N 0.81 1.13 0.04 5.86 3.52 0.91 -2.34 118.95 128.87 1x5q s ARG 103 Ca -0.05 -0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 54.87 1x5q s ARG 103 Cb -0.15 0.51 -0.06 0.00 -1.56 0.00 0.00 34.95 33.68 1x5q s ARG 103 CO 0.00 -0.45 0.51 -2.00 -0.81 0.00 0.00 175.30 172.55 1x5q s GLU 104 N -3.43 4.11 -0.14 5.12 -6.30 -1.26 0.20 118.70 117.00 1x5q s GLU 104 Ca 0.00 0.62 -0.03 0.00 -2.50 0.00 0.00 54.97 53.05 1x5q s GLU 104 Cb 0.00 -3.24 0.05 0.00 0.00 0.00 0.00 34.13 30.94 1x5q s GLU 104 CO -0.10 0.63 0.05 -1.12 0.02 0.00 0.00 175.26 174.75 1x5q s SER 105 N -1.00 2.21 -0.14 -1.70 0.01 -1.26 -4.91 113.70 106.91 1x5q s SER 105 Ca 0.27 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 56.80 1x5q s SER 105 Cb -0.18 -0.37 0.06 0.00 0.21 0.00 0.00 66.02 65.74 1x5q s SER 105 CO 0.17 -0.30 0.62 -0.83 0.41 0.00 0.00 173.24 173.32 1x5q s GLY 106 N 2.03 -0.49 -1.07 3.44 0.00 -1.26 -5.04 107.32 104.94 1x5q s GLY 106 Ca 0.02 1.47 -0.22 0.00 0.00 0.00 0.00 44.72 45.99 1x5q s GLY 106 CO -0.07 1.18 1.75 2.56 0.00 0.00 0.00 173.10 178.51 1x5q s PRO 107 N -0.43 3.15 0.05 2.90 0.04 -1.26 -4.87 135.00 134.57 1x5q s PRO 107 Ca -0.06 -1.04 -0.18 0.00 0.04 0.00 0.00 61.00 59.76 1x5q s PRO 107 Cb -0.03 -5.28 0.04 0.00 0.04 0.00 0.00 34.50 29.27 1x5q s PRO 107 CO 0.05 -2.90 0.42 -1.12 0.04 0.00 0.00 177.00 173.49 1x5q s SER 108 N 6.05 -0.29 -0.23 6.66 0.01 -1.26 -5.05 113.70 119.59 1x5q s SER 108 Ca 0.59 -0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 1x5q s SER 108 Cb -0.01 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1x5q s SER 108 CO 0.00 -0.68 0.01 -1.20 0.41 0.00 0.00 173.24 171.79 1x5q n SER 109 N 0.45 -6.25 0.00 2.44 7.64 -1.26 -5.22 113.62 111.42 1x5q n SER 109 Ca -0.18 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1x5q n SER 109 Cb 0.60 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 1x5q n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64