#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5x s SER 2 N 0.00 -0.98 -0.17 1.61 0.01 -1.26 -5.03 113.70 107.88 1x5x s SER 2 Ca 0.00 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.32 1x5x s SER 2 Cb 0.00 1.69 -0.06 0.00 0.21 0.00 0.00 66.02 67.86 1x5x s SER 2 CO 0.00 -0.21 -0.32 -0.24 0.41 0.00 0.00 173.24 172.88 1x5x n SER 3 N 4.56 1.86 0.00 2.44 2.88 -1.26 -5.14 113.62 118.97 1x5x n SER 3 Ca 0.10 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1x5x n SER 3 Cb 0.54 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1x5x n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 4 N 1.61 -0.82 3.55 0.46 0.00 -1.26 -5.07 105.19 103.66 1x5x n GLY 4 Ca -0.17 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1x5x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5x s SER 5 N -4.00 6.01 -0.06 1.61 1.04 -1.26 -4.69 113.70 112.36 1x5x s SER 5 Ca 0.00 -0.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 1x5x s SER 5 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1x5x s SER 5 CO 0.00 -1.92 -0.19 -1.54 0.98 0.00 0.00 173.24 170.56 1x5x n SER 6 N 10.23 1.55 0.00 7.02 3.41 -1.26 -5.03 113.62 129.54 1x5x n SER 6 Ca 0.17 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1x5x n SER 6 Cb 0.50 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1x5x n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5x n GLY 7 N 2.36 -2.35 3.75 5.00 0.00 -1.26 -4.91 105.19 107.78 1x5x n GLY 7 Ca -0.08 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 1x5x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5x s PRO 8 N 0.00 4.64 1.01 1.61 0.04 -1.26 -4.94 135.00 136.09 1x5x s PRO 8 Ca 0.00 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 1x5x s PRO 8 Cb 0.00 -3.22 0.08 0.00 0.04 0.00 0.00 34.50 31.40 1x5x s PRO 8 CO 0.00 0.19 -0.12 0.43 0.04 0.00 0.00 177.00 177.55 1x5x n SER 9 N 1.53 -2.73 -4.67 6.66 7.64 -1.26 -4.70 113.62 116.09 1x5x n SER 9 Ca -0.00 -0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.24 1x5x n SER 9 Cb 0.45 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1x5x n SER 9 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5x s MET 10 N -3.11 4.23 0.98 1.43 1.75 -1.26 -4.74 119.30 118.58 1x5x s MET 10 Ca 0.40 2.06 -0.14 0.00 -1.25 0.00 0.00 55.69 56.75 1x5x s MET 10 Cb -0.04 -3.76 0.18 0.00 2.84 0.00 0.00 34.83 34.04 1x5x s MET 10 CO 0.47 -0.72 1.17 -1.25 -0.65 0.00 0.00 175.02 174.04 1x5x s PRO 11 N 3.21 0.56 0.03 4.11 0.04 -1.26 -4.16 135.00 137.54 1x5x s PRO 11 Ca 0.68 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 1x5x s PRO 11 Cb -0.32 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1x5x s PRO 11 CO 0.27 -2.55 0.54 0.00 0.04 0.00 0.00 177.00 175.30 1x5x s ALA 12 N -3.35 3.58 0.41 8.56 0.00 -1.26 -4.75 121.76 124.95 1x5x s ALA 12 Ca 0.67 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 1x5x s ALA 12 Cb -0.12 -2.62 -0.13 0.00 0.00 0.00 0.00 23.12 20.25 1x5x s ALA 12 CO 0.54 0.34 0.49 -1.13 0.00 0.00 0.00 175.76 175.99 1x5x n SER 13 N 2.07 -1.14 -4.69 0.00 3.41 -1.26 -4.33 113.62 107.68 1x5x n SER 13 Ca -0.10 0.91 -0.42 0.00 -0.26 0.00 0.00 58.87 58.99 1x5x n SER 13 Cb 0.51 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 1x5x n SER 13 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5x s PRO 14 N -1.48 4.36 0.83 4.33 0.04 -1.26 -4.76 135.00 137.06 1x5x s PRO 14 Ca 0.63 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.24 1x5x s PRO 14 Cb -0.62 -3.54 0.19 0.00 0.04 0.00 0.00 34.50 30.57 1x5x s PRO 14 CO 0.59 -0.43 1.13 1.33 0.04 0.00 0.00 177.00 179.66 1x5x n VAL 15 N 4.54 0.00 -3.60 -0.36 0.24 0.38 -4.76 118.33 114.77 1x5x n VAL 15 Ca 0.11 -0.94 -0.29 0.00 -2.04 0.00 0.00 64.34 61.18 1x5x n VAL 15 Cb 0.46 -1.48 -0.12 0.00 -1.47 0.00 0.00 33.84 31.23 1x5x n VAL 15 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1x5x s LEU 16 N 0.00 2.02 0.07 1.34 2.96 -1.26 -1.71 118.68 122.10 1x5x s LEU 16 Ca 0.65 -2.56 -0.36 0.00 -0.22 0.00 0.00 54.13 51.64 1x5x s LEU 16 Cb -0.02 -0.76 -0.20 0.00 0.50 0.00 0.00 46.19 45.71 1x5x s LEU 16 CO 0.45 -0.26 1.58 0.71 -1.32 0.00 0.00 176.35 177.51 1x5x h THR 17 N 5.07 0.08 -3.67 3.68 1.35 -1.61 -3.43 112.91 114.37 1x5x h THR 17 Ca 0.05 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.47 1x5x h THR 17 Cb 0.93 0.08 -0.32 0.00 -1.73 0.00 0.00 68.15 67.12 1x5x h THR 17 CO 0.40 0.00 -0.79 -0.75 -0.25 0.00 0.00 175.52 174.13 1x5x s LYS 18 N -5.98 1.06 -0.27 4.72 2.20 -1.21 -5.06 119.74 115.20 1x5x s LYS 18 Ca -0.19 -0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1x5x s LYS 18 Cb 0.03 -0.97 -0.02 0.00 -1.51 0.00 0.00 37.83 35.36 1x5x s LYS 18 CO 0.61 0.06 0.10 0.00 -0.36 0.00 0.00 175.35 175.75 1x5x s ALA 19 N 0.43 3.19 0.62 3.13 0.00 -1.26 -1.30 121.76 126.56 1x5x s ALA 19 Ca -0.07 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1x5x s ALA 19 Cb -0.11 -2.18 0.09 0.00 0.00 0.00 0.00 23.12 20.92 1x5x s ALA 19 CO 0.01 -0.66 0.86 0.20 0.00 0.00 0.00 175.76 176.16 1x5x s GLY 20 N 1.60 1.78 0.00 0.00 0.00 0.13 -4.61 107.32 106.21 1x5x s GLY 20 Ca 0.05 -1.82 -0.19 0.00 0.00 0.00 0.00 44.72 42.76 1x5x s GLY 20 CO 0.04 -1.36 1.02 -2.22 0.00 0.00 0.00 173.10 170.58 1x5x h ILE 21 N -0.10 1.41 0.00 0.90 2.04 -1.94 -3.27 117.51 116.55 1x5x h ILE 21 Ca -0.35 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.13 1x5x h ILE 21 Cb 1.28 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 40.20 1x5x h ILE 21 CO 0.42 0.69 -0.23 0.35 0.00 0.00 0.00 178.15 179.39 1x5x n THR 22 N -4.05 1.45 -3.64 -0.27 -2.24 -1.26 -3.68 114.28 100.59 1x5x n THR 22 Ca -0.13 -1.89 -0.12 0.00 -2.27 0.00 0.00 64.05 59.64 1x5x n THR 22 Cb 0.83 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 1x5x n THR 22 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1x5x s TRP 23 N -2.20 -0.28 -0.10 4.78 1.48 -1.26 -2.40 118.94 118.96 1x5x s TRP 23 Ca 0.26 0.20 -0.03 0.00 -1.06 0.00 0.00 56.10 55.47 1x5x s TRP 23 Cb 0.24 0.25 0.05 0.00 -1.16 0.00 0.00 33.47 32.85 1x5x s TRP 23 CO -0.00 -0.61 0.14 -0.51 -4.06 0.00 0.00 176.95 171.91 1x5x s LEU 24 N -2.18 -0.00 -0.60 -4.66 1.43 -0.91 0.19 118.68 111.95 1x5x s LEU 24 Ca -0.03 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 1x5x s LEU 24 Cb -0.00 0.16 0.09 0.00 0.03 0.00 0.00 46.19 46.47 1x5x s LEU 24 CO -0.04 -0.26 0.76 -0.44 0.23 0.00 0.00 176.35 176.59 1x5x s SER 25 N 2.26 6.19 0.38 2.29 0.01 -0.42 -0.49 113.70 123.91 1x5x s SER 25 Ca 0.04 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.05 1x5x s SER 25 Cb -0.13 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1x5x s SER 25 CO -0.06 -1.17 0.58 -0.76 0.41 0.00 0.00 173.24 172.23 1x5x s LEU 26 N 3.02 3.90 -0.17 2.44 1.43 -1.00 -1.59 118.68 126.72 1x5x s LEU 26 Ca 0.15 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.54 1x5x s LEU 26 Cb -0.22 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 42.87 1x5x s LEU 26 CO 0.08 -0.43 0.18 -1.58 0.23 0.00 0.00 176.35 174.83 1x5x s GLN 27 N -4.37 0.13 0.28 1.70 -0.44 -0.70 -3.12 119.66 113.14 1x5x s GLN 27 Ca 0.43 0.24 0.10 0.00 -2.50 0.00 0.00 55.36 53.63 1x5x s GLN 27 Cb -0.10 -1.09 -0.05 0.00 -1.64 0.00 0.00 33.01 30.14 1x5x s GLN 27 CO 0.36 -0.57 -0.04 1.67 0.50 0.00 0.00 175.29 177.22 1x5x s TRP 28 N 2.28 2.60 0.43 1.67 -2.14 -1.18 -0.47 118.94 122.14 1x5x s TRP 28 Ca 0.05 -0.27 0.06 0.00 2.66 0.00 0.00 56.10 58.60 1x5x s TRP 28 Cb -0.15 -1.19 -0.07 0.00 -3.10 0.00 0.00 33.47 28.96 1x5x s TRP 28 CO -0.10 0.62 0.01 -1.12 -2.66 0.00 0.00 176.95 173.70 1x5x s SER 29 N -3.65 3.94 0.81 -2.66 0.01 -1.26 -4.57 113.70 106.32 1x5x s SER 29 Ca 0.32 -1.43 -0.11 0.00 1.31 0.00 0.00 55.95 56.04 1x5x s SER 29 Cb -0.05 -0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.05 1x5x s SER 29 CO 0.19 -0.54 1.09 -1.59 0.41 0.00 0.00 173.24 172.81 1x5x s LYS 30 N -3.75 1.93 0.77 12.44 -2.85 -1.26 -4.16 119.74 122.86 1x5x s LYS 30 Ca 0.29 1.06 -0.11 0.00 -1.00 0.00 0.00 55.97 56.20 1x5x s LYS 30 Cb 0.08 -1.87 0.05 0.00 -2.06 0.00 0.00 37.83 34.04 1x5x s LYS 30 CO 0.15 -1.84 1.09 -1.25 0.10 0.00 0.00 175.35 173.59 1x5x s PRO 31 N -4.91 2.30 0.12 1.78 0.04 -1.26 -4.49 135.00 128.58 1x5x s PRO 31 Ca 0.62 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 1x5x s PRO 31 Cb -0.17 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1x5x s PRO 31 CO 0.56 -1.49 1.68 -1.12 0.04 0.00 0.00 177.00 176.67 1x5x s SER 32 N -3.88 6.54 -0.03 6.66 0.01 -1.26 -3.95 113.70 117.79 1x5x s SER 32 Ca 0.60 2.62 -0.00 0.00 1.31 0.00 0.00 55.95 60.48 1x5x s SER 32 Cb -0.14 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1x5x s SER 32 CO 0.54 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1x5x n GLY 33 N 3.98 -0.45 3.74 3.44 0.00 -1.26 -4.63 105.19 110.01 1x5x n GLY 33 Ca 0.16 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1x5x n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5x s THR 34 N -0.98 2.80 -0.01 2.61 -4.23 -1.25 -4.77 115.64 109.80 1x5x s THR 34 Ca -0.00 0.31 -0.21 0.00 -1.18 0.00 0.00 61.69 60.61 1x5x s THR 34 Cb 0.00 -2.72 -0.22 0.00 1.34 0.00 0.00 72.50 70.90 1x5x s THR 34 CO 0.08 -0.29 1.11 1.55 -0.54 0.00 0.00 174.62 176.53 1x5x h PRO 35 N -0.83 0.32 -2.67 3.99 0.13 -1.92 -3.48 132.00 127.54 1x5x h PRO 35 Ca -0.45 -0.32 -0.05 0.00 -0.87 0.00 0.00 66.00 64.32 1x5x h PRO 35 Cb 1.26 0.08 -0.16 0.00 0.13 0.00 0.00 31.00 32.31 1x5x h PRO 35 CO 0.49 0.99 0.12 -1.12 -0.23 0.00 0.00 178.00 178.25 1x5x s SER 36 N -6.51 -0.52 -0.25 1.44 0.01 -1.26 -5.04 113.70 101.57 1x5x s SER 36 Ca -0.14 0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 1x5x s SER 36 Cb 0.03 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.73 1x5x s SER 36 CO 0.78 -0.76 3.04 0.47 0.41 0.00 0.00 173.24 177.18 1x5x n ASP 37 N 0.30 5.94 -2.11 2.44 9.92 -1.26 -4.51 116.55 127.27 1x5x n ASP 37 Ca -0.18 -2.88 -0.25 0.00 -0.53 0.00 0.00 54.79 50.95 1x5x n ASP 37 Cb 0.61 -1.29 0.08 0.00 -0.64 0.00 0.00 41.12 39.88 1x5x n ASP 37 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1x5x n GLU 38 N 1.51 2.24 -2.39 -1.24 2.13 -1.26 -4.94 120.64 116.70 1x5x n GLU 38 Ca 0.43 -2.53 -0.01 0.00 0.66 0.00 0.00 57.16 55.72 1x5x n GLU 38 Cb 0.70 -1.99 -0.01 0.00 0.27 0.00 0.00 31.44 30.41 1x5x n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x5x n GLY 39 N -0.50 -5.78 3.79 8.31 0.00 -1.26 -4.93 105.19 104.83 1x5x n GLY 39 Ca 0.49 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 1x5x n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5x s ILE 40 N -0.61 4.98 0.23 -0.61 1.01 -1.26 -4.80 121.20 120.13 1x5x s ILE 40 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 60.65 60.72 1x5x s ILE 40 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1x5x s ILE 40 CO 0.13 0.61 -0.18 -0.44 0.00 0.00 0.00 174.94 175.06 1x5x s SER 41 N -0.98 3.75 -0.05 3.58 0.01 -1.20 -4.65 113.70 114.17 1x5x s SER 41 Ca 0.14 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1x5x s SER 41 Cb -0.12 -0.41 0.02 0.00 0.21 0.00 0.00 66.02 65.72 1x5x s SER 41 CO 0.03 0.08 -0.06 -0.31 0.41 0.00 0.00 173.24 173.39 1x5x s TYR 42 N -2.05 0.84 -0.25 2.43 1.51 -1.14 -1.94 117.35 116.75 1x5x s TYR 42 Ca 0.26 -0.25 -0.13 0.00 -1.01 0.00 0.00 57.07 55.94 1x5x s TYR 42 Cb -0.07 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1x5x s TYR 42 CO 0.14 -0.20 0.27 0.42 -1.11 0.00 0.00 175.55 175.06 1x5x s ILE 43 N 0.89 5.27 -0.48 2.71 1.01 0.61 -4.16 121.20 127.05 1x5x s ILE 43 Ca -0.11 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.70 1x5x s ILE 43 Cb -0.15 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1x5x s ILE 43 CO 0.01 0.26 0.75 -0.22 0.00 0.00 0.00 174.94 175.73 1x5x s LEU 44 N 1.52 4.43 0.36 2.97 2.96 -1.23 -1.97 118.68 127.73 1x5x s LEU 44 Ca 0.12 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1x5x s LEU 44 Cb -0.15 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1x5x s LEU 44 CO 0.08 -0.95 0.56 -1.61 -1.32 0.00 0.00 176.35 173.11 1x5x s GLU 45 N 3.19 3.44 -0.30 1.98 2.02 -1.06 -2.53 118.70 125.45 1x5x s GLU 45 Ca 0.25 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.78 1x5x s GLU 45 Cb -0.14 -2.65 0.13 0.00 0.10 0.00 0.00 34.13 31.57 1x5x s GLU 45 CO 0.19 0.10 0.72 1.41 0.02 0.00 0.00 175.26 177.69 1x5x s MET 46 N -4.35 0.55 -0.14 1.61 1.75 -1.16 -2.96 119.30 114.60 1x5x s MET 46 Ca 0.41 1.30 0.00 0.00 -1.25 0.00 0.00 55.69 56.15 1x5x s MET 46 Cb -0.10 0.71 0.03 0.00 2.84 0.00 0.00 34.83 38.31 1x5x s MET 46 CO 0.36 -0.18 -0.11 -2.00 -0.65 0.00 0.00 175.02 172.45 1x5x s GLU 47 N 2.64 1.94 0.54 4.11 -6.30 -1.18 -3.74 118.70 116.72 1x5x s GLU 47 Ca -0.06 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 51.92 1x5x s GLU 47 Cb -0.10 -1.97 0.11 0.00 0.00 0.00 0.00 34.13 32.17 1x5x s GLU 47 CO -0.19 -0.29 0.74 -0.85 0.02 0.00 0.00 175.26 174.70 1x5x n GLU 48 N 4.83 0.09 -0.31 4.30 0.28 -1.26 -3.58 120.64 124.98 1x5x n GLU 48 Ca -0.15 -2.05 0.04 0.00 -0.16 0.00 0.00 57.16 54.84 1x5x n GLU 48 Cb 0.49 -0.49 -0.01 0.00 1.43 0.00 0.00 31.44 32.87 1x5x n GLU 48 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1x5x n GLU 49 N -2.37 -0.63 -1.87 3.44 1.02 -1.26 -4.82 120.64 114.15 1x5x n GLU 49 Ca 0.12 0.42 -0.40 0.00 -0.02 0.00 0.00 57.16 57.28 1x5x n GLU 49 Cb 0.44 -0.77 0.01 0.00 -0.02 0.00 0.00 31.44 31.10 1x5x n GLU 49 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1x5x s THR 50 N -0.84 2.22 0.04 2.62 -4.23 -1.26 -4.75 115.64 109.44 1x5x s THR 50 Ca 0.00 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1x5x s THR 50 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1x5x s THR 50 CO 0.00 0.03 0.00 -0.24 -0.54 0.00 0.00 174.62 173.87 1x5x n SER 51 N 0.01 -2.42 0.00 3.99 2.88 -1.26 -4.92 113.62 111.90 1x5x n SER 51 Ca 0.04 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x5x n SER 51 Cb 0.42 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1x5x n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 52 N -0.59 0.63 2.85 0.46 0.00 -1.26 -4.76 105.19 102.53 1x5x n GLY 52 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1x5x n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x5x n TYR 53 N 0.00 -2.21 0.00 1.61 4.01 -1.26 -4.71 117.16 114.60 1x5x n TYR 53 Ca 0.00 1.28 0.00 0.00 -0.16 0.00 0.00 57.90 59.02 1x5x n TYR 53 Cb 0.00 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 36.59 1x5x n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5x n GLY 54 N 2.13 0.88 3.31 2.72 0.00 -1.26 -5.05 105.19 107.91 1x5x n GLY 54 Ca -0.21 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.25 1x5x n GLY 54 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x5x n PHE 55 N 0.00 1.07 -3.43 1.61 3.72 -1.26 -4.88 117.46 114.28 1x5x n PHE 55 Ca 0.00 0.67 -0.33 0.00 -0.05 0.00 0.00 57.45 57.74 1x5x n PHE 55 Cb 0.00 -2.32 -0.05 0.00 -0.94 0.00 0.00 39.48 36.16 1x5x n PHE 55 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x5x s LYS 56 N 6.60 3.84 0.46 -1.08 -0.14 -1.25 -4.83 119.74 123.35 1x5x s LYS 56 Ca 1.22 0.30 -0.21 0.00 -1.36 0.00 0.00 55.97 55.92 1x5x s LYS 56 Cb -1.41 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 31.86 1x5x s LYS 56 CO 0.62 0.40 1.04 -1.25 -0.76 0.00 0.00 175.35 175.40 1x5x s PRO 57 N -2.44 3.90 0.00 -1.68 0.04 -1.26 -2.98 135.00 130.58 1x5x s PRO 57 Ca 0.42 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1x5x s PRO 57 Cb -0.13 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1x5x s PRO 57 CO 0.20 -0.35 0.00 1.63 0.04 0.00 0.00 177.00 178.52 1x5x n LYS 58 N -0.73 0.00 -4.32 4.56 5.02 -1.05 -4.98 118.16 116.66 1x5x n LYS 58 Ca 0.08 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.11 1x5x n LYS 58 Cb 0.52 -0.49 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1x5x s TYR 59 N -1.85 2.59 -0.50 2.13 5.04 -1.23 -5.01 117.35 118.52 1x5x s TYR 59 Ca 0.00 -0.24 0.06 0.00 -2.44 0.00 0.00 57.07 54.45 1x5x s TYR 59 Cb 0.00 -1.23 0.19 0.00 0.35 0.00 0.00 41.96 41.27 1x5x s TYR 59 CO 0.00 0.55 0.76 0.16 -1.34 0.00 0.00 175.55 175.68 1x5x s ASP 60 N -3.04 -1.34 0.24 4.32 -4.77 -1.26 -3.51 116.67 107.32 1x5x s ASP 60 Ca 0.26 -1.59 -0.04 0.00 -3.30 0.00 0.00 52.55 47.88 1x5x s ASP 60 Cb -0.08 1.76 -0.02 0.00 -1.09 0.00 0.00 42.92 43.48 1x5x s ASP 60 CO 0.16 -0.05 0.29 -0.83 0.70 0.00 0.00 175.17 175.44 1x5x s GLY 61 N 0.90 1.26 -0.66 2.12 0.00 -1.26 -5.05 107.32 104.63 1x5x s GLY 61 Ca 0.29 -1.47 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1x5x s GLY 61 CO -0.06 -1.13 2.13 -1.84 0.00 0.00 0.00 173.10 172.20 1x5x n GLU 62 N -0.37 2.56 -4.38 2.90 0.28 -1.26 -2.91 120.64 117.47 1x5x n GLU 62 Ca 0.01 -3.03 -0.28 0.00 -0.16 0.00 0.00 57.16 53.70 1x5x n GLU 62 Cb 0.64 -2.18 -0.12 0.00 1.43 0.00 0.00 31.44 31.21 1x5x n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x5x s ASP 63 N -1.03 3.52 -0.43 -1.84 1.01 -1.26 -4.95 116.67 111.69 1x5x s ASP 63 Ca 0.55 -0.74 0.03 0.00 0.71 0.00 0.00 52.55 53.10 1x5x s ASP 63 Cb 0.44 -0.32 0.58 0.00 1.01 0.00 0.00 42.92 44.62 1x5x s ASP 63 CO -0.18 0.16 1.86 0.18 0.21 0.00 0.00 175.17 177.39 1x5x n LEU 64 N 0.63 6.53 -3.61 1.23 4.77 -1.26 -4.68 117.00 120.61 1x5x n LEU 64 Ca -0.15 -3.49 -0.09 0.00 -0.03 0.00 0.00 56.01 52.24 1x5x n LEU 64 Cb 0.54 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1x5x n LEU 64 CO 0.27 1.05 0.80 0.00 -1.33 0.00 0.00 177.39 178.18 1x5x s ALA 65 N -3.04 -1.98 0.11 -1.18 0.00 -1.26 -3.12 121.76 111.30 1x5x s ALA 65 Ca 0.52 1.73 -0.17 0.00 0.00 0.00 0.00 51.96 54.04 1x5x s ALA 65 Cb 0.44 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1x5x s ALA 65 CO 0.09 -0.26 0.43 -0.47 0.00 0.00 0.00 175.76 175.54 1x5x s TYR 66 N -0.47 -0.26 -0.32 0.00 5.04 -1.18 -5.06 117.35 115.10 1x5x s TYR 66 Ca 0.01 0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 1x5x s TYR 66 Cb -0.03 0.29 0.08 0.00 0.35 0.00 0.00 41.96 42.66 1x5x s TYR 66 CO -0.03 -0.70 0.02 0.99 -1.34 0.00 0.00 175.55 174.49 1x5x s THR 67 N -3.56 2.50 0.56 4.34 2.01 -1.26 -2.38 115.64 117.85 1x5x s THR 67 Ca 0.01 -1.96 -0.20 0.00 0.31 0.00 0.00 61.69 59.85 1x5x s THR 67 Cb 0.01 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1x5x s THR 67 CO -0.10 -0.38 1.20 -0.69 -0.69 0.00 0.00 174.62 173.95 1x5x s VAL 68 N 1.04 2.75 0.15 3.82 1.01 0.36 -4.84 120.40 124.69 1x5x s VAL 68 Ca 0.03 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1x5x s VAL 68 Cb -0.20 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1x5x s VAL 68 CO -0.06 -0.08 0.17 -0.54 0.00 0.00 0.00 175.10 174.59 1x5x s LYS 69 N -3.22 1.05 -0.53 2.72 1.02 -1.26 -2.15 119.74 117.38 1x5x s LYS 69 Ca 0.75 -1.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.39 1x5x s LYS 69 Cb -0.30 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1x5x s LYS 69 CO 0.33 -0.34 0.46 -1.71 -0.92 0.00 0.00 175.35 173.17 1x5x n ASN 70 N -0.16 -4.46 -3.65 2.83 2.85 -1.01 -4.95 115.26 106.72 1x5x n ASN 70 Ca -0.06 -0.34 -0.21 0.00 -0.11 0.00 0.00 54.58 53.87 1x5x n ASN 70 Cb 0.63 -2.96 -0.04 0.00 1.24 0.00 0.00 39.78 38.65 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x5x n LEU 71 N -2.30 0.00 -4.33 1.20 4.77 -1.14 -5.03 117.00 110.16 1x5x n LEU 71 Ca -0.03 -2.07 -0.27 0.00 -0.03 0.00 0.00 56.01 53.61 1x5x n LEU 71 Cb 0.56 0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.81 1x5x n LEU 71 CO 0.30 -0.30 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.39 1x5x s ARG 72 N -3.17 1.32 0.27 3.23 0.52 -1.26 -4.73 118.95 115.13 1x5x s ARG 72 Ca 0.02 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 53.71 1x5x s ARG 72 Cb 0.00 -1.67 -0.10 0.00 0.52 0.00 0.00 34.95 33.71 1x5x s ARG 72 CO 0.01 0.40 1.31 -0.98 0.02 0.00 0.00 175.30 176.07 1x5x s ARG 73 N -1.87 4.37 -0.46 3.54 1.70 -1.24 -3.90 118.95 121.09 1x5x s ARG 73 Ca 0.10 2.14 -0.33 0.00 -0.47 0.00 0.00 55.73 57.17 1x5x s ARG 73 Cb -0.10 -3.13 0.05 0.00 -0.57 0.00 0.00 34.95 31.20 1x5x s ARG 73 CO 0.05 -0.22 0.65 0.45 -1.08 0.00 0.00 175.30 175.15 1x5x n SER 74 N 1.76 -5.93 -3.72 -2.89 2.88 -0.72 -5.00 113.62 99.99 1x5x n SER 74 Ca 0.03 -0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.39 1x5x n SER 74 Cb 0.42 -2.35 -0.11 0.00 -0.75 0.00 0.00 64.21 61.41 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x5x s THR 75 N -1.75 -0.02 -0.00 2.46 2.01 -1.25 -4.98 115.64 112.10 1x5x s THR 75 Ca 0.34 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1x5x s THR 75 Cb -0.04 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1x5x s THR 75 CO 0.86 0.03 1.23 -0.54 -0.69 0.00 0.00 174.62 175.51 1x5x s LYS 76 N 1.04 4.38 0.04 4.92 3.01 -1.26 -4.33 119.74 127.53 1x5x s LYS 76 Ca -0.07 1.75 0.02 0.00 -1.01 0.00 0.00 55.97 56.66 1x5x s LYS 76 Cb -0.07 -3.48 -0.02 0.00 -1.01 0.00 0.00 37.83 33.25 1x5x s LYS 76 CO -0.08 -0.39 -0.08 0.71 0.51 0.00 0.00 175.35 176.03 1x5x s TYR 77 N 1.78 0.65 0.12 3.18 2.02 -1.20 -4.63 117.35 119.27 1x5x s TYR 77 Ca 0.58 -0.50 0.07 0.00 -0.37 0.00 0.00 57.07 56.85 1x5x s TYR 77 Cb -0.27 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 1x5x s TYR 77 CO 0.25 -0.09 -0.06 0.15 -1.57 0.00 0.00 175.55 174.23 1x5x s LYS 78 N -1.56 2.26 -0.14 -0.62 1.02 -1.23 -2.62 119.74 116.84 1x5x s LYS 78 Ca -0.10 -1.02 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 1x5x s LYS 78 Cb -0.10 -2.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1x5x s LYS 78 CO 0.00 0.50 0.37 -0.06 -0.92 0.00 0.00 175.35 175.24 1x5x s PHE 79 N -1.37 -0.43 -0.03 3.18 0.40 -0.93 -3.09 117.98 115.72 1x5x s PHE 79 Ca 0.24 1.03 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 1x5x s PHE 79 Cb -0.11 0.15 0.03 0.00 0.51 0.00 0.00 43.02 43.61 1x5x s PHE 79 CO 0.16 -0.22 0.04 -1.59 0.70 0.00 0.00 175.22 174.31 1x5x s LYS 80 N 0.43 -0.04 0.03 0.44 -2.85 -1.15 -1.62 119.74 114.98 1x5x s LYS 80 Ca -0.02 0.24 -0.27 0.00 -1.00 0.00 0.00 55.97 54.92 1x5x s LYS 80 Cb -0.04 -0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.39 1x5x s LYS 80 CO -0.02 -0.20 0.86 0.54 0.10 0.00 0.00 175.35 176.63 1x5x s VAL 81 N 1.31 4.75 -0.20 1.79 0.11 -1.26 -2.55 120.40 124.36 1x5x s VAL 81 Ca -0.06 1.83 0.01 0.00 -2.93 0.00 0.00 61.98 60.82 1x5x s VAL 81 Cb -0.13 -4.21 0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1x5x s VAL 81 CO -0.03 0.28 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.29 1x5x s ILE 82 N 0.36 1.66 -0.34 7.04 1.01 -0.83 -1.22 121.20 128.87 1x5x s ILE 82 Ca 0.44 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 1x5x s ILE 82 Cb -0.21 -1.73 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 1x5x s ILE 82 CO 0.25 0.17 0.55 0.00 0.00 0.00 0.00 174.94 175.91 1x5x s ALA 83 N 1.39 3.48 0.26 9.38 0.00 -1.26 -0.28 121.76 134.73 1x5x s ALA 83 Ca -0.01 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.11 1x5x s ALA 83 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1x5x s ALA 83 CO -0.08 -1.22 -0.15 1.52 0.00 0.00 0.00 175.76 175.82 1x5x s TYR 84 N 2.48 2.06 0.13 0.00 -0.85 -0.82 -2.78 117.35 117.58 1x5x s TYR 84 Ca 0.21 -0.48 0.09 0.00 -0.52 0.00 0.00 57.07 56.37 1x5x s TYR 84 Cb -0.15 -0.98 -0.04 0.00 0.38 0.00 0.00 41.96 41.17 1x5x s TYR 84 CO 0.13 0.53 -0.22 1.21 -1.52 0.00 0.00 175.55 175.69 1x5x s ASN 85 N -3.45 2.79 0.60 -0.18 3.84 0.53 -3.23 114.94 115.84 1x5x s ASN 85 Ca 0.28 -0.76 0.29 0.00 0.21 0.00 0.00 52.86 52.88 1x5x s ASN 85 Cb -0.02 -0.17 1.22 0.00 -0.55 0.00 0.00 41.25 41.73 1x5x s ASN 85 CO 0.12 0.06 1.59 0.28 -2.79 0.00 0.00 177.10 176.36 1x5x h SER 86 N 3.76 0.00 0.04 -4.21 0.02 -1.91 0.80 113.55 112.05 1x5x h SER 86 Ca -0.46 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1x5x h SER 86 Cb 1.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1x5x h SER 86 CO 0.43 0.00 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.42 1x5x h GLU 87 N 0.00 0.18 -2.11 3.45 5.08 -2.00 -3.49 114.58 115.70 1x5x h GLU 87 Ca 0.38 -0.25 0.25 0.00 -1.00 0.00 0.00 59.36 58.74 1x5x h GLU 87 Cb 2.15 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 31.41 1x5x h GLU 87 CO -0.00 1.05 0.69 0.20 -1.00 0.00 0.00 179.01 179.94 1x5x s GLY 88 N -4.15 -0.16 0.20 -3.84 0.00 0.28 -5.15 107.32 94.51 1x5x s GLY 88 Ca -0.16 0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1x5x s GLY 88 CO 0.76 1.85 0.21 -1.59 0.00 0.00 0.00 173.10 174.33 1x5x s LYS 89 N -2.46 3.06 0.00 2.90 -2.85 -1.26 0.20 119.74 119.33 1x5x s LYS 89 Ca 0.19 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1x5x s LYS 89 Cb 0.00 -2.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.08 1x5x s LYS 89 CO 0.01 0.45 0.00 0.43 0.10 0.00 0.00 175.35 176.34 1x5x n SER 90 N -0.83 0.98 -4.79 0.03 7.64 -1.12 -4.52 113.62 111.01 1x5x n SER 90 Ca -0.08 -0.81 -0.34 0.00 1.01 0.00 0.00 58.87 58.65 1x5x n SER 90 Cb 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1x5x n SER 90 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x5x s ASN 91 N -0.81 6.20 0.68 6.43 0.01 -1.26 -4.83 114.94 121.35 1x5x s ASN 91 Ca 0.00 1.96 -0.12 0.00 -0.71 0.00 0.00 52.86 53.99 1x5x s ASN 91 Cb 0.00 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 1x5x s ASN 91 CO 0.00 -0.88 1.06 -2.16 -1.51 0.00 0.00 177.10 173.61 1x5x s PRO 92 N -3.31 3.01 0.42 -0.60 0.04 -1.26 -4.54 135.00 128.76 1x5x s PRO 92 Ca 0.68 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 1x5x s PRO 92 Cb -0.17 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1x5x s PRO 92 CO 0.22 -1.04 0.68 0.45 0.04 0.00 0.00 177.00 177.35 1x5x s SER 93 N -3.64 6.28 0.13 6.66 0.15 -0.36 -4.93 113.70 117.99 1x5x s SER 93 Ca 0.59 0.71 -0.33 0.00 0.70 0.00 0.00 55.95 57.62 1x5x s SER 93 Cb -0.14 -2.15 -0.18 0.00 -1.71 0.00 0.00 66.02 61.84 1x5x s SER 93 CO 0.52 -0.45 0.78 -0.62 1.20 0.00 0.00 173.24 174.68 1x5x n GLU 94 N -2.03 0.13 -2.65 5.44 1.02 -1.26 -4.49 120.64 116.79 1x5x n GLU 94 Ca -0.02 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 1x5x n GLU 94 Cb 0.56 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1x5x n GLU 94 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x5x s VAL 95 N -0.57 4.70 0.41 2.62 1.01 -1.26 -4.66 120.40 122.64 1x5x s VAL 95 Ca 0.74 1.98 0.08 0.00 0.00 0.00 0.00 61.98 64.78 1x5x s VAL 95 Cb -1.04 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.04 1x5x s VAL 95 CO 0.56 -0.03 0.33 0.68 0.00 0.00 0.00 175.10 176.64 1x5x s VAL 96 N 2.26 2.71 0.03 2.92 -7.23 -0.64 -4.96 120.40 115.48 1x5x s VAL 96 Ca 0.49 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1x5x s VAL 96 Cb -0.18 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 1x5x s VAL 96 CO 0.16 -0.02 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.13 1x5x s GLU 97 N -4.07 0.68 0.28 4.82 2.12 -1.26 -2.18 118.70 119.08 1x5x s GLU 97 Ca 0.46 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 1x5x s GLU 97 Cb -0.02 -0.60 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 1x5x s GLU 97 CO 0.27 0.14 0.34 -0.06 -0.54 0.00 0.00 175.26 175.41 1x5x s PHE 98 N -0.86 1.05 0.16 5.30 0.08 -1.08 -5.04 117.98 117.59 1x5x s PHE 98 Ca -0.02 -1.26 -0.01 0.00 0.12 0.00 0.00 56.93 55.77 1x5x s PHE 98 Cb -0.07 -0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 1x5x s PHE 98 CO 0.01 -0.91 0.07 0.99 -0.10 0.00 0.00 175.22 175.28 1x5x s THR 99 N -3.67 0.16 0.37 0.64 2.01 -1.26 -3.23 115.64 110.66 1x5x s THR 99 Ca 0.33 -1.94 0.08 0.00 0.31 0.00 0.00 61.69 60.47 1x5x s THR 99 Cb 0.02 -2.18 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 1x5x s THR 99 CO 0.16 -0.34 0.07 0.42 -0.69 0.00 0.00 174.62 174.25 1x5x s THR 100 N -4.02 2.47 1.10 -0.82 -4.23 -1.26 -4.83 115.64 104.05 1x5x s THR 100 Ca 0.28 -1.87 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 1x5x s THR 100 Cb 0.07 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 71.21 1x5x s THR 100 CO 0.05 -0.11 0.69 0.00 -0.54 0.00 0.00 174.62 174.71 1x5x h PRO 102 N -2.28 0.58 -3.35 0.00 0.13 -1.96 -1.92 132.00 123.20 1x5x h PRO 102 Ca -0.55 -0.56 0.19 0.00 -0.87 0.00 0.00 66.00 64.21 1x5x h PRO 102 Cb 1.33 0.14 -0.10 0.00 0.13 0.00 0.00 31.00 32.50 1x5x h PRO 102 CO 0.43 1.18 -1.07 -3.47 -0.23 0.00 0.00 178.00 174.84 1x5x n ASP 103 N -4.08 -7.52 -2.73 1.44 -0.08 -1.26 -4.47 116.55 97.86 1x5x n ASP 103 Ca -0.10 1.53 -0.03 0.00 -1.51 0.00 0.00 54.79 54.68 1x5x n ASP 103 Cb 0.73 -4.63 0.00 0.00 2.34 0.00 0.00 41.12 39.56 1x5x n ASP 103 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x5x n SER 104 N -3.48 -7.82 -3.48 1.67 7.64 -1.26 -5.05 113.62 101.83 1x5x n SER 104 Ca -0.05 1.02 0.02 0.00 1.01 0.00 0.00 58.87 60.87 1x5x n SER 104 Cb 0.56 -5.24 -0.05 0.00 -1.01 0.00 0.00 64.21 58.47 1x5x n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5x s GLY 105 N -2.00 0.41 0.97 0.23 0.00 -1.26 -5.15 107.32 100.52 1x5x s GLY 105 Ca 0.10 3.67 -0.14 0.00 0.00 0.00 0.00 44.72 48.35 1x5x s GLY 105 CO 0.75 2.98 1.16 2.56 0.00 0.00 0.00 173.10 180.56 1x5x s PRO 106 N 1.49 0.66 -0.34 2.90 0.04 -1.26 -4.31 135.00 134.18 1x5x s PRO 106 Ca -0.05 0.11 -0.22 0.00 0.04 0.00 0.00 61.00 60.88 1x5x s PRO 106 Cb -0.02 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.75 1x5x s PRO 106 CO -0.13 -2.49 0.45 0.43 0.04 0.00 0.00 177.00 175.30 1x5x n SER 107 N -3.93 -6.55 -1.19 6.66 7.64 -1.26 -4.68 113.62 110.31 1x5x n SER 107 Ca 0.09 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1x5x n SER 107 Cb 0.59 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.90 1x5x n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5x n SER 108 N 0.18 -6.71 0.00 6.43 2.88 -1.26 -5.26 113.62 109.88 1x5x n SER 108 Ca -0.01 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1x5x n SER 108 Cb 0.52 -3.00 0.00 0.00 -0.75 0.00 0.00 64.21 60.98 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42