#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 6.48 -0.29 1.61 0.15 -1.26 -4.84 113.70 115.55 1x5x s SER 2 Ca 0.00 -1.76 -0.16 0.00 0.70 0.00 0.00 55.95 54.73 1x5x s SER 2 Cb 0.00 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.87 1x5x s SER 2 CO 0.00 -1.53 0.91 -0.55 1.20 0.00 0.00 173.24 173.27 1x5x s SER 3 N 4.97 -0.61 0.00 5.45 0.15 -1.26 -5.16 113.70 117.24 1x5x s SER 3 Ca 0.51 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1x5x s SER 3 Cb 0.01 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1x5x s SER 3 CO -0.02 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1x5x n GLY 4 N 3.93 4.14 3.02 9.45 0.00 -1.26 -5.11 105.19 119.36 1x5x n GLY 4 Ca -0.18 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 1.00 4.74 -0.57 1.61 1.04 -1.26 -5.06 113.70 115.20 1x5x s SER 5 Ca 0.00 -2.21 -0.19 0.00 0.48 0.00 0.00 55.95 54.03 1x5x s SER 5 Cb 0.00 -1.63 0.09 0.00 0.10 0.00 0.00 66.02 64.57 1x5x s SER 5 CO 0.00 -0.37 0.70 -0.94 0.98 0.00 0.00 173.24 173.61 1x5x s SER 6 N 0.83 6.20 0.00 7.02 1.04 -1.26 -4.79 113.70 122.74 1x5x s SER 6 Ca 0.11 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1x5x s SER 6 Cb -0.19 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1x5x s SER 6 CO -0.08 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1x5x n GLY 7 N 5.25 2.22 3.69 7.32 0.00 -1.26 -5.06 105.19 117.36 1x5x n GLY 7 Ca -0.08 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 4.47 4.37 1.06 1.61 0.04 -1.26 -4.81 135.00 140.48 1x5x s PRO 8 Ca 0.00 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 1x5x s PRO 8 Cb 0.00 -3.51 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1x5x s PRO 8 CO 0.00 -0.41 -0.37 0.43 0.04 0.00 0.00 177.00 176.69 1x5x n SER 9 N 4.92 -2.62 -4.63 6.66 7.64 -1.26 -4.71 113.62 119.61 1x5x n SER 9 Ca 0.11 -0.14 -0.44 0.00 1.01 0.00 0.00 58.87 59.41 1x5x n SER 9 Cb 0.46 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 1x5x n SER 9 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1x5x n MET 10 N -0.74 2.34 -1.56 1.43 1.56 -1.26 -4.62 117.12 114.27 1x5x n MET 10 Ca 0.01 0.80 -0.30 0.00 -0.27 0.00 0.00 57.70 57.93 1x5x n MET 10 Cb 0.61 -2.97 0.08 0.00 2.15 0.00 0.00 33.22 33.09 1x5x n MET 10 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1x5x s PRO 11 N 5.07 2.25 0.18 2.12 0.04 -1.26 -4.52 135.00 138.88 1x5x s PRO 11 Ca 0.95 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 1x5x s PRO 11 Cb -0.49 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 1x5x s PRO 11 CO 0.43 -1.52 1.01 0.00 0.04 0.00 0.00 177.00 176.96 1x5x s ALA 12 N -3.14 3.32 0.47 8.56 0.00 -1.26 -4.72 121.76 124.99 1x5x s ALA 12 Ca 0.60 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 1x5x s ALA 12 Cb -0.14 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1x5x s ALA 12 CO 0.54 -0.03 0.66 0.43 0.00 0.00 0.00 175.76 177.37 1x5x n SER 13 N 2.18 -0.37 -4.70 0.00 7.64 -1.26 -4.24 113.62 112.87 1x5x n SER 13 Ca 0.01 0.89 -0.42 0.00 1.01 0.00 0.00 58.87 60.35 1x5x n SER 13 Cb 0.47 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 1x5x n SER 13 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x5x s PRO 14 N -1.87 4.40 0.46 1.43 0.04 -1.26 -4.73 135.00 133.46 1x5x s PRO 14 Ca 0.65 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 1x5x s PRO 14 Cb -0.54 -3.46 0.10 0.00 0.04 0.00 0.00 34.50 30.64 1x5x s PRO 14 CO 0.56 -0.35 0.62 1.33 0.04 0.00 0.00 177.00 179.21 1x5x n VAL 15 N 4.28 0.00 -3.49 -0.36 0.24 0.30 -4.74 118.33 114.55 1x5x n VAL 15 Ca 0.10 -0.62 -0.29 0.00 -2.04 0.00 0.00 64.34 61.49 1x5x n VAL 15 Cb 0.46 -1.51 -0.12 0.00 -1.47 0.00 0.00 33.84 31.20 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 1.23 0.04 1.34 2.96 -1.26 -1.45 118.68 121.54 1x5x s LEU 16 Ca 0.37 -2.28 -0.33 0.00 -0.22 0.00 0.00 54.13 51.67 1x5x s LEU 16 Cb -0.01 -0.49 -0.18 0.00 0.50 0.00 0.00 46.19 46.01 1x5x s LEU 16 CO 0.26 -0.30 1.39 0.71 -1.32 0.00 0.00 176.35 177.09 1x5x h THR 17 N 5.03 0.00 -3.37 3.68 1.35 -1.69 -3.43 112.91 114.48 1x5x h THR 17 Ca 0.06 -0.10 -0.57 0.00 -0.55 0.00 0.00 66.41 65.25 1x5x h THR 17 Cb 0.96 0.00 -0.34 0.00 -1.73 0.00 0.00 68.15 67.05 1x5x h THR 17 CO 0.30 0.00 -0.83 -0.54 -0.25 0.00 0.00 175.52 174.19 1x5x s LYS 18 N -5.46 2.12 -0.32 4.72 1.02 -1.23 -5.05 119.74 115.54 1x5x s LYS 18 Ca -0.17 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.17 1x5x s LYS 18 Cb 0.02 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 1x5x s LYS 18 CO 0.52 0.05 0.14 0.00 -0.92 0.00 0.00 175.35 175.14 1x5x s ALA 19 N 0.64 3.21 0.58 5.17 0.00 -1.26 -0.72 121.76 129.38 1x5x s ALA 19 Ca -0.14 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.37 1x5x s ALA 19 Cb -0.16 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.67 1x5x s ALA 19 CO 0.04 -0.99 0.80 0.20 0.00 0.00 0.00 175.76 175.82 1x5x s GLY 20 N 1.57 1.82 -0.07 0.00 0.00 0.13 -4.51 107.32 106.25 1x5x s GLY 20 Ca 0.03 -1.52 -0.26 0.00 0.00 0.00 0.00 44.72 42.97 1x5x s GLY 20 CO 0.05 -1.17 1.00 -2.22 0.00 0.00 0.00 173.10 170.77 1x5x h ILE 21 N 0.00 1.59 -0.19 0.90 2.04 -1.93 -3.12 117.51 116.80 1x5x h ILE 21 Ca -0.40 -1.87 -0.09 0.00 1.00 0.00 0.00 64.86 63.51 1x5x h ILE 21 Cb 1.29 2.82 -0.05 0.00 -0.74 0.00 0.00 36.82 40.13 1x5x h ILE 21 CO 0.48 0.49 -0.22 0.35 0.00 0.00 0.00 178.15 179.25 1x5x n THR 22 N -4.64 2.37 -3.52 -0.27 -2.24 -1.26 -3.64 114.28 101.08 1x5x n THR 22 Ca -0.09 -2.85 -0.11 0.00 -2.27 0.00 0.00 64.05 58.73 1x5x n THR 22 Cb 0.43 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 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 -3.20 -0.42 -0.06 4.78 1.48 -1.25 -2.69 118.94 117.58 1x5x s TRP 23 Ca 0.41 0.49 -0.02 0.00 -1.06 0.00 0.00 56.10 55.91 1x5x s TRP 23 Cb 0.38 0.50 0.04 0.00 -1.16 0.00 0.00 33.47 33.22 1x5x s TRP 23 CO -0.02 -0.53 0.09 -0.51 -4.06 0.00 0.00 176.95 171.92 1x5x s LEU 24 N -1.92 0.07 -0.62 -4.66 1.43 -0.55 0.20 118.68 112.63 1x5x s LEU 24 Ca 0.00 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 1x5x s LEU 24 Cb -0.01 -0.00 0.07 0.00 0.03 0.00 0.00 46.19 46.29 1x5x s LEU 24 CO -0.04 -0.25 0.88 -0.44 0.23 0.00 0.00 176.35 176.74 1x5x s SER 25 N 2.21 6.19 0.38 2.29 0.01 0.10 -0.74 113.70 124.15 1x5x s SER 25 Ca 0.04 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.27 1x5x s SER 25 Cb -0.12 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1x5x s SER 25 CO -0.04 -1.32 0.60 -0.76 0.41 0.00 0.00 173.24 172.14 1x5x s LEU 26 N 3.65 3.90 -0.16 2.44 1.43 -0.85 -1.86 118.68 127.22 1x5x s LEU 26 Ca 0.20 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1x5x s LEU 26 Cb -0.18 -3.36 0.08 0.00 0.03 0.00 0.00 46.19 42.76 1x5x s LEU 26 CO 0.10 -0.40 0.26 -1.10 0.23 0.00 0.00 176.35 175.43 1x5x s GLN 27 N -4.41 0.18 0.34 1.70 -1.52 -0.53 -3.17 119.66 112.24 1x5x s GLN 27 Ca 0.42 0.54 0.07 0.00 -1.95 0.00 0.00 55.36 54.44 1x5x s GLN 27 Cb -0.10 -0.49 -0.07 0.00 -0.22 0.00 0.00 33.01 32.14 1x5x s GLN 27 CO 0.37 -0.45 -0.04 1.67 -0.25 0.00 0.00 175.29 176.60 1x5x s TRP 28 N 2.40 2.26 0.44 0.91 -2.14 -1.00 0.11 118.94 121.91 1x5x s TRP 28 Ca 0.04 -0.65 0.03 0.00 2.66 0.00 0.00 56.10 58.18 1x5x s TRP 28 Cb -0.14 -1.40 -0.02 0.00 -3.10 0.00 0.00 33.47 28.82 1x5x s TRP 28 CO -0.10 0.40 0.12 -1.12 -2.66 0.00 0.00 176.95 173.58 1x5x s SER 29 N -3.57 3.12 0.59 -2.66 0.01 -1.26 -4.54 113.70 105.38 1x5x s SER 29 Ca 0.33 -1.73 -0.09 0.00 1.31 0.00 0.00 55.95 55.77 1x5x s SER 29 Cb 0.06 0.61 -0.03 0.00 0.21 0.00 0.00 66.02 66.87 1x5x s SER 29 CO 0.16 -0.98 0.96 -1.59 0.41 0.00 0.00 173.24 172.20 1x5x s LYS 30 N -3.70 3.44 0.53 12.44 -2.85 -1.26 -4.14 119.74 124.19 1x5x s LYS 30 Ca 0.18 0.50 -0.09 0.00 -1.00 0.00 0.00 55.97 55.56 1x5x s LYS 30 Cb 0.01 -2.17 0.13 0.00 -2.06 0.00 0.00 37.83 33.74 1x5x s LYS 30 CO 0.13 -0.53 0.58 -0.35 0.10 0.00 0.00 175.35 175.27 1x5x n PRO 31 N -2.63 -1.31 -3.77 1.78 -0.04 -1.26 -4.50 135.00 123.27 1x5x n PRO 31 Ca 0.04 -0.91 -0.36 0.00 -0.04 0.00 0.00 63.50 62.24 1x5x n PRO 31 Cb 0.55 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 33.24 1x5x n PRO 31 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5x s SER 32 N -3.12 6.50 -0.79 3.54 0.01 -1.26 -4.57 113.70 114.01 1x5x s SER 32 Ca 0.35 0.58 -0.01 0.00 1.31 0.00 0.00 55.95 58.18 1x5x s SER 32 Cb -0.02 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 64.11 1x5x s SER 32 CO 0.26 0.31 0.66 0.61 0.41 0.00 0.00 173.24 175.49 1x5x n GLY 33 N 1.45 -1.27 3.80 3.44 0.00 -1.26 -4.56 105.19 106.79 1x5x n GLY 33 Ca -0.14 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.01 3.72 0.08 2.61 -4.23 -1.26 -4.75 115.64 108.80 1x5x s THR 34 Ca 0.01 0.67 -0.14 0.00 -1.18 0.00 0.00 61.69 61.06 1x5x s THR 34 Cb -0.00 -3.26 -0.21 0.00 1.34 0.00 0.00 72.50 70.37 1x5x s THR 34 CO 0.81 -0.62 1.23 1.55 -0.54 0.00 0.00 174.62 177.05 1x5x h PRO 35 N -0.33 0.74 -6.06 3.99 0.13 -1.92 -3.46 132.00 125.10 1x5x h PRO 35 Ca -0.45 -0.72 -0.61 0.00 -0.87 0.00 0.00 66.00 63.35 1x5x h PRO 35 Cb 1.22 0.19 -0.13 0.00 0.13 0.00 0.00 31.00 32.41 1x5x h PRO 35 CO 0.56 1.31 -0.70 -1.54 -0.23 0.00 0.00 178.00 177.39 1x5x s SER 36 N -7.23 3.78 0.07 1.44 1.04 -1.26 -5.06 113.70 106.48 1x5x s SER 36 Ca -0.10 -1.08 -0.35 0.00 0.48 0.00 0.00 55.95 54.89 1x5x s SER 36 Cb 0.07 -0.38 -0.19 0.00 0.10 0.00 0.00 66.02 65.62 1x5x s SER 36 CO 0.92 -0.11 1.60 -0.78 0.98 0.00 0.00 173.24 175.85 1x5x h ASP 37 N 2.08 -0.97 -5.35 7.02 1.82 -2.04 -3.47 116.42 115.50 1x5x h ASP 37 Ca -0.41 0.04 -0.14 0.00 -0.39 0.00 0.00 57.03 56.13 1x5x h ASP 37 Cb 1.25 0.26 -0.09 0.00 0.68 0.00 0.00 39.33 41.43 1x5x h ASP 37 CO 0.66 -0.67 -0.19 -1.61 -1.61 0.00 0.00 179.24 175.82 1x5x s GLU 38 N -6.02 1.62 0.00 0.28 0.41 -1.26 -4.96 118.70 108.77 1x5x s GLU 38 Ca -0.19 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 52.93 1x5x s GLU 38 Cb 0.03 0.44 0.00 0.00 -1.78 0.00 0.00 34.13 32.82 1x5x s GLU 38 CO 0.61 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 1x5x n GLY 39 N -0.42 1.51 3.85 -1.39 0.00 -1.26 -5.11 105.19 102.37 1x5x n GLY 39 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 5.24 0.15 -0.61 1.01 -1.26 -4.82 121.20 118.90 1x5x s ILE 40 Ca 0.00 0.57 0.11 0.00 0.00 0.00 0.00 60.65 61.33 1x5x s ILE 40 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1x5x s ILE 40 CO 0.00 0.59 -0.25 -0.94 0.00 0.00 0.00 174.94 174.34 1x5x s SER 41 N -0.98 3.43 -0.08 3.58 1.04 -1.18 -4.68 113.70 114.83 1x5x s SER 41 Ca 0.20 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1x5x s SER 41 Cb -0.15 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1x5x s SER 41 CO 0.09 0.16 -0.19 -0.31 0.98 0.00 0.00 173.24 173.97 1x5x s TYR 42 N -1.28 2.02 -0.33 5.02 1.51 -1.14 -1.23 117.35 121.92 1x5x s TYR 42 Ca 0.17 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.31 1x5x s TYR 42 Cb -0.09 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1x5x s TYR 42 CO 0.08 -0.33 0.37 0.42 -1.11 0.00 0.00 175.55 174.98 1x5x s ILE 43 N 0.42 5.16 -0.45 2.71 1.01 0.49 -4.08 121.20 126.46 1x5x s ILE 43 Ca -0.15 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 1x5x s ILE 43 Cb -0.16 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1x5x s ILE 43 CO 0.06 -0.04 1.05 -0.22 0.00 0.00 0.00 174.94 175.79 1x5x s LEU 44 N 2.06 3.80 0.41 2.97 2.96 -1.20 -1.48 118.68 128.20 1x5x s LEU 44 Ca 0.13 0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1x5x s LEU 44 Cb -0.16 -3.42 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 1x5x s LEU 44 CO 0.11 -1.13 0.60 -1.61 -1.32 0.00 0.00 176.35 173.00 1x5x s GLU 45 N 4.10 3.03 -0.07 1.98 2.02 -0.91 -0.84 118.70 128.00 1x5x s GLU 45 Ca 0.44 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 1x5x s GLU 45 Cb -0.09 -2.67 0.09 0.00 0.10 0.00 0.00 34.13 31.56 1x5x s GLU 45 CO 0.28 -0.18 0.77 1.41 0.02 0.00 0.00 175.26 177.56 1x5x s MET 46 N -4.41 0.93 -0.24 1.61 -2.45 -0.72 -3.10 119.30 110.91 1x5x s MET 46 Ca 0.48 0.17 -0.02 0.00 -1.25 0.00 0.00 55.69 55.08 1x5x s MET 46 Cb -0.10 0.44 0.02 0.00 1.25 0.00 0.00 34.83 36.44 1x5x s MET 46 CO 0.35 -0.30 -0.06 -2.00 1.05 0.00 0.00 175.02 174.06 1x5x s GLU 47 N -1.35 2.90 -0.30 4.11 2.12 -1.26 -1.52 118.70 123.40 1x5x s GLU 47 Ca -0.07 -0.94 -0.07 0.00 0.36 0.00 0.00 54.97 54.26 1x5x s GLU 47 Cb -0.00 -2.98 0.18 0.00 0.26 0.00 0.00 34.13 31.60 1x5x s GLU 47 CO 0.06 -0.37 0.82 -2.00 -0.54 0.00 0.00 175.26 173.22 1x5x s GLU 48 N 1.34 0.38 0.34 4.30 -6.30 -1.26 -4.37 118.70 113.14 1x5x s GLU 48 Ca 0.01 0.67 -0.07 0.00 -2.50 0.00 0.00 54.97 53.08 1x5x s GLU 48 Cb -0.16 0.37 0.01 0.00 0.00 0.00 0.00 34.13 34.35 1x5x s GLU 48 CO -0.05 -0.43 0.55 -2.00 0.02 0.00 0.00 175.26 173.35 1x5x s GLU 49 N 2.90 1.95 0.39 4.30 2.12 -1.26 -4.95 118.70 124.15 1x5x s GLU 49 Ca 0.11 -1.63 0.26 0.00 0.36 0.00 0.00 54.97 54.06 1x5x s GLU 49 Cb -0.12 0.49 1.35 0.00 0.26 0.00 0.00 34.13 36.11 1x5x s GLU 49 CO -0.16 -0.84 1.49 -2.37 -0.54 0.00 0.00 175.26 172.84 1x5x n THR 50 N -0.54 -0.32 0.01 -1.70 5.66 -1.26 -3.45 114.28 112.69 1x5x n THR 50 Ca -0.01 1.82 0.00 0.00 -3.05 0.00 0.00 64.05 62.80 1x5x n THR 50 Cb 0.61 -2.96 0.00 0.00 -1.55 0.00 0.00 70.33 66.43 1x5x n THR 50 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1x5x n SER 51 N -4.87 0.06 0.00 1.09 2.88 -1.26 -5.13 113.62 106.39 1x5x n SER 51 Ca 0.37 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1x5x n SER 51 Cb 1.37 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 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 2.45 2.07 3.01 0.46 0.00 -1.22 -5.03 105.19 106.92 1x5x n GLY 52 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 1x5x n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5x s TYR 53 N 0.00 -1.11 0.00 1.61 2.02 -1.26 -4.99 117.35 113.62 1x5x s TYR 53 Ca 0.00 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1x5x s TYR 53 Cb 0.00 0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.57 1x5x s TYR 53 CO 0.00 -1.09 0.00 0.41 -1.57 0.00 0.00 175.55 173.30 1x5x n GLY 54 N 4.28 2.81 3.62 0.71 0.00 -1.26 -5.08 105.19 110.27 1x5x n GLY 54 Ca 0.12 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1x5x n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5x s PHE 55 N -2.84 2.83 0.09 1.61 0.40 -1.26 -4.50 117.98 114.31 1x5x s PHE 55 Ca 0.00 -0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.27 1x5x s PHE 55 Cb 0.00 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1x5x s PHE 55 CO 0.00 0.46 -0.14 0.15 0.70 0.00 0.00 175.22 176.39 1x5x s LYS 56 N -2.33 0.90 0.33 0.44 -0.14 -0.58 -4.90 119.74 113.45 1x5x s LYS 56 Ca 0.23 -1.07 -0.27 0.00 -1.36 0.00 0.00 55.97 53.50 1x5x s LYS 56 Cb -0.11 -0.84 -0.09 0.00 -1.68 0.00 0.00 37.83 35.11 1x5x s LYS 56 CO 0.16 0.17 1.07 -1.25 -0.76 0.00 0.00 175.35 174.74 1x5x s PRO 57 N -2.16 4.44 -0.00 -1.68 0.04 -1.26 -1.76 135.00 132.62 1x5x s PRO 57 Ca 0.03 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 1x5x s PRO 57 Cb -0.08 -2.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.55 1x5x s PRO 57 CO 0.02 0.07 -0.00 1.63 0.04 0.00 0.00 177.00 178.76 1x5x n LYS 58 N 0.66 0.01 -4.46 4.56 5.02 -0.02 -4.96 118.16 118.96 1x5x n LYS 58 Ca 0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 1x5x n LYS 58 Cb 0.47 -0.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.70 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 -2.01 2.44 -0.42 2.13 5.04 -1.20 -4.99 117.35 118.34 1x5x s TYR 59 Ca -0.00 -0.44 0.01 0.00 -2.44 0.00 0.00 57.07 54.20 1x5x s TYR 59 Cb 0.00 -1.34 0.19 0.00 0.35 0.00 0.00 41.96 41.17 1x5x s TYR 59 CO 0.01 0.58 0.85 0.34 -1.34 0.00 0.00 175.55 175.99 1x5x s ASP 60 N -3.62 -1.00 0.29 4.32 2.15 -1.26 -3.25 116.67 114.30 1x5x s ASP 60 Ca 0.33 -0.96 -0.01 0.00 0.43 0.00 0.00 52.55 52.34 1x5x s ASP 60 Cb 0.00 1.30 -0.02 0.00 -0.30 0.00 0.00 42.92 43.90 1x5x s ASP 60 CO 0.17 -0.06 0.34 -0.83 -0.17 0.00 0.00 175.17 174.62 1x5x s GLY 61 N 1.24 1.60 -0.56 2.66 0.00 -1.26 -5.04 107.32 105.97 1x5x s GLY 61 Ca 0.23 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 1x5x s GLY 61 CO -0.08 -1.18 2.01 -1.84 0.00 0.00 0.00 173.10 172.01 1x5x n GLU 62 N -0.49 2.42 -4.34 2.90 0.28 -1.26 -2.89 120.64 117.26 1x5x n GLU 62 Ca 0.03 -2.81 -0.23 0.00 -0.16 0.00 0.00 57.16 53.98 1x5x n GLU 62 Cb 0.63 -2.10 -0.08 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.27 4.28 -0.27 -1.84 1.11 -1.26 -4.95 116.67 112.47 1x5x s ASP 63 Ca 0.55 -0.77 0.12 0.00 0.18 0.00 0.00 52.55 52.64 1x5x s ASP 63 Cb 0.44 -0.68 0.60 0.00 1.07 0.00 0.00 42.92 44.34 1x5x s ASP 63 CO 0.00 -0.01 1.57 0.18 1.18 0.00 0.00 175.17 178.10 1x5x n LEU 64 N -0.83 4.75 -3.62 1.23 4.77 -1.26 -4.60 117.00 117.43 1x5x n LEU 64 Ca -0.06 -3.32 -0.13 0.00 -0.03 0.00 0.00 56.01 52.48 1x5x n LEU 64 Cb 0.59 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1x5x n LEU 64 CO 0.40 0.89 0.51 0.00 -1.33 0.00 0.00 177.39 177.86 1x5x s ALA 65 N -3.02 -1.83 0.05 -1.18 0.00 -1.26 -2.38 121.76 112.14 1x5x s ALA 65 Ca 0.47 1.94 -0.15 0.00 0.00 0.00 0.00 51.96 54.23 1x5x s ALA 65 Cb 0.40 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1x5x s ALA 65 CO 0.08 -0.31 0.34 -0.47 0.00 0.00 0.00 175.76 175.40 1x5x s TYR 66 N 0.22 -0.16 -0.34 0.00 5.04 -1.19 -5.06 117.35 115.87 1x5x s TYR 66 Ca 0.00 0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.65 1x5x s TYR 66 Cb -0.05 0.14 0.08 0.00 0.35 0.00 0.00 41.96 42.49 1x5x s TYR 66 CO -0.00 -0.54 0.07 0.99 -1.34 0.00 0.00 175.55 174.73 1x5x s THR 67 N -2.69 2.88 0.46 4.34 2.01 -1.26 -2.02 115.64 119.37 1x5x s THR 67 Ca -0.04 -1.84 -0.23 0.00 0.31 0.00 0.00 61.69 59.89 1x5x s THR 67 Cb -0.00 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.56 1x5x s THR 67 CO -0.04 -0.41 1.19 -0.69 -0.69 0.00 0.00 174.62 173.98 1x5x s VAL 68 N 1.13 2.99 0.34 3.82 1.01 0.08 -4.84 120.40 124.93 1x5x s VAL 68 Ca 0.03 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1x5x s VAL 68 Cb -0.21 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1x5x s VAL 68 CO -0.04 -0.00 0.19 -0.54 0.00 0.00 0.00 175.10 174.71 1x5x s LYS 69 N -2.67 1.74 -0.85 2.72 1.02 -1.26 -1.48 119.74 118.95 1x5x s LYS 69 Ca 0.64 -2.02 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 1x5x s LYS 69 Cb -0.30 -0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1x5x s LYS 69 CO 0.37 -0.52 0.78 -1.71 -0.92 0.00 0.00 175.35 173.34 1x5x n ASN 70 N -1.23 -7.38 -2.96 2.83 5.15 -1.09 -4.90 115.26 105.68 1x5x n ASN 70 Ca 0.01 -0.30 -0.14 0.00 -0.60 0.00 0.00 54.58 53.54 1x5x n ASN 70 Cb 0.64 -5.27 -0.03 0.00 -0.53 0.00 0.00 39.78 34.59 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x5x n LEU 71 N -2.30 0.00 -4.22 1.20 4.77 -1.22 -5.01 117.00 110.22 1x5x n LEU 71 Ca -0.03 -1.56 -0.25 0.00 -0.03 0.00 0.00 56.01 54.15 1x5x n LEU 71 Cb 0.54 0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.85 1x5x n LEU 71 CO 0.55 -0.23 -0.51 -0.13 -1.33 0.00 0.00 177.39 175.74 1x5x s ARG 72 N -2.83 1.33 0.54 3.23 0.52 -1.26 -4.72 118.95 115.77 1x5x s ARG 72 Ca 0.06 -0.85 -0.20 0.00 -0.52 0.00 0.00 55.73 54.22 1x5x s ARG 72 Cb 0.00 -1.40 -0.06 0.00 0.52 0.00 0.00 34.95 34.02 1x5x s ARG 72 CO 0.04 0.36 1.14 -0.98 0.02 0.00 0.00 175.30 175.88 1x5x s ARG 73 N -1.02 3.34 -0.53 3.54 3.03 -1.24 -4.06 118.95 122.02 1x5x s ARG 73 Ca 0.06 1.63 -0.28 0.00 2.03 0.00 0.00 55.73 59.18 1x5x s ARG 73 Cb -0.08 -2.01 0.04 0.00 -1.03 0.00 0.00 34.95 31.87 1x5x s ARG 73 CO 0.01 -0.86 0.65 0.45 -1.13 0.00 0.00 175.30 174.42 1x5x n SER 74 N -1.29 -5.76 -3.87 -2.89 2.88 -1.16 -4.94 113.62 96.58 1x5x n SER 74 Ca 0.12 -0.22 -0.10 0.00 -1.33 0.00 0.00 58.87 57.33 1x5x n SER 74 Cb 0.51 -2.25 -0.05 0.00 -0.75 0.00 0.00 64.21 61.67 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 -1.95 0.00 -0.16 2.46 2.01 -1.26 -5.00 115.64 111.74 1x5x s THR 75 Ca 0.28 -1.49 0.01 0.00 0.31 0.00 0.00 61.69 60.81 1x5x s THR 75 Cb -0.04 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1x5x s THR 75 CO 0.86 0.00 -0.20 -1.59 -0.69 0.00 0.00 174.62 173.01 1x5x s LYS 76 N -3.83 2.86 0.08 4.92 -2.85 -1.26 -3.65 119.74 116.00 1x5x s LYS 76 Ca 0.25 -0.78 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 1x5x s LYS 76 Cb 0.00 -2.42 -0.03 0.00 -2.06 0.00 0.00 37.83 33.31 1x5x s LYS 76 CO 0.11 -0.14 -0.07 0.71 0.10 0.00 0.00 175.35 176.06 1x5x s TYR 77 N 1.14 0.82 0.43 1.78 2.02 -1.00 -5.03 117.35 117.51 1x5x s TYR 77 Ca 0.00 -0.72 0.07 0.00 -0.37 0.00 0.00 57.07 56.05 1x5x s TYR 77 Cb -0.14 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1x5x s TYR 77 CO -0.08 -0.11 0.18 0.15 -1.57 0.00 0.00 175.55 174.12 1x5x s LYS 78 N -2.81 2.22 -0.28 -0.62 1.02 -1.26 -1.26 119.74 116.74 1x5x s LYS 78 Ca 0.02 -1.89 -0.19 0.00 0.02 0.00 0.00 55.97 53.93 1x5x s LYS 78 Cb -0.02 -1.96 0.10 0.00 -0.52 0.00 0.00 37.83 35.43 1x5x s LYS 78 CO -0.02 -0.17 0.81 -0.06 -0.92 0.00 0.00 175.35 174.99 1x5x s PHE 79 N -2.63 -0.81 -0.06 3.18 0.08 -0.26 -4.06 117.98 113.42 1x5x s PHE 79 Ca 0.39 1.73 0.00 0.00 0.12 0.00 0.00 56.93 59.17 1x5x s PHE 79 Cb 0.03 0.45 0.02 0.00 -0.57 0.00 0.00 43.02 42.96 1x5x s PHE 79 CO 0.21 -0.40 -0.04 -1.59 -0.10 0.00 0.00 175.22 173.31 1x5x s LYS 80 N 1.09 0.86 -0.04 0.44 -2.85 -1.18 -1.18 119.74 116.88 1x5x s LYS 80 Ca -0.06 -0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1x5x s LYS 80 Cb -0.05 -0.99 -0.02 0.00 -2.06 0.00 0.00 37.83 34.71 1x5x s LYS 80 CO -0.12 -0.17 0.98 0.54 0.10 0.00 0.00 175.35 176.67 1x5x s VAL 81 N 1.35 4.85 -0.24 1.79 0.11 -1.26 -2.15 120.40 124.85 1x5x s VAL 81 Ca -0.04 2.02 0.02 0.00 -2.93 0.00 0.00 61.98 61.05 1x5x s VAL 81 Cb -0.13 -4.30 0.05 0.00 -1.53 0.00 0.00 36.38 30.46 1x5x s VAL 81 CO -0.03 0.11 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.10 1x5x s ILE 82 N 1.37 2.22 -0.20 7.04 1.01 -0.55 -1.80 121.20 130.30 1x5x s ILE 82 Ca 0.50 -1.41 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1x5x s ILE 82 Cb -0.20 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1x5x s ILE 82 CO 0.24 0.12 0.45 0.00 0.00 0.00 0.00 174.94 175.75 1x5x s ALA 83 N 1.17 3.55 0.15 9.38 0.00 -1.26 0.18 121.76 134.93 1x5x s ALA 83 Ca -0.05 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1x5x s ALA 83 Cb -0.18 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1x5x s ALA 83 CO -0.07 -0.34 -0.06 1.52 0.00 0.00 0.00 175.76 176.81 1x5x s TYR 84 N 1.40 1.23 0.13 0.00 -0.85 -0.37 -2.45 117.35 116.44 1x5x s TYR 84 Ca 0.21 -0.86 0.09 0.00 -0.52 0.00 0.00 57.07 55.99 1x5x s TYR 84 Cb -0.15 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.49 1x5x s TYR 84 CO 0.09 -0.03 -0.21 1.21 -1.52 0.00 0.00 175.55 175.08 1x5x s ASN 85 N -3.16 2.78 0.59 -0.18 2.47 0.55 -3.12 114.94 114.87 1x5x s ASN 85 Ca 0.19 -0.76 0.32 0.00 0.42 0.00 0.00 52.86 53.03 1x5x s ASN 85 Cb 0.04 -0.17 1.24 0.00 -1.45 0.00 0.00 41.25 40.91 1x5x s ASN 85 CO 0.01 0.06 1.52 -1.28 -3.72 0.00 0.00 177.10 173.68 1x5x h SER 86 N 3.72 0.00 -0.03 -4.21 0.87 -1.98 1.23 113.55 113.15 1x5x h SER 86 Ca -0.46 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.04 1x5x h SER 86 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1x5x h SER 86 CO 0.44 0.00 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.20 1x5x h GLU 87 N 0.00 0.19 0.00 2.24 5.08 -2.01 -3.49 114.58 116.60 1x5x h GLU 87 Ca 0.52 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1x5x h GLU 87 Cb 2.66 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.95 1x5x h GLU 87 CO -0.01 0.84 0.00 0.41 -1.00 0.00 0.00 179.01 179.25 1x5x n GLY 88 N 0.79 2.12 3.13 -3.84 0.00 0.42 -5.16 105.19 102.66 1x5x n GLY 88 Ca -0.09 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 1x5x n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5x s LYS 89 N 1.22 0.74 0.14 1.61 -2.85 -1.26 0.21 119.74 119.55 1x5x s LYS 89 Ca 0.00 -0.86 0.02 0.00 -1.00 0.00 0.00 55.97 54.13 1x5x s LYS 89 Cb 0.00 -0.69 0.02 0.00 -2.06 0.00 0.00 37.83 35.11 1x5x s LYS 89 CO 0.00 0.15 0.19 0.43 0.10 0.00 0.00 175.35 176.22 1x5x n SER 90 N 1.44 0.59 -4.79 0.03 7.64 -1.02 -4.81 113.62 112.69 1x5x n SER 90 Ca -0.21 -1.39 -0.33 0.00 1.01 0.00 0.00 58.87 57.95 1x5x n SER 90 Cb 0.54 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 1x5x n SER 90 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x5x s ASN 91 N -1.88 5.73 0.74 6.43 2.20 -1.26 -4.80 114.94 122.09 1x5x s ASN 91 Ca 0.15 1.89 -0.11 0.00 -0.94 0.00 0.00 52.86 53.84 1x5x s ASN 91 Cb -0.01 -2.54 0.04 0.00 -2.00 0.00 0.00 41.25 36.73 1x5x s ASN 91 CO 0.09 -1.21 1.08 -2.16 -2.94 0.00 0.00 177.10 171.96 1x5x s PRO 92 N -3.92 2.53 0.63 3.55 0.04 -1.26 -4.56 135.00 132.01 1x5x s PRO 92 Ca 0.65 0.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 1x5x s PRO 92 Cb -0.17 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1x5x s PRO 92 CO 0.35 -1.35 0.89 0.45 0.04 0.00 0.00 177.00 177.38 1x5x s SER 93 N -3.85 4.86 0.10 6.66 0.15 -0.74 -4.93 113.70 115.95 1x5x s SER 93 Ca 0.59 -0.09 -0.34 0.00 0.70 0.00 0.00 55.95 56.81 1x5x s SER 93 Cb -0.14 -0.57 -0.14 0.00 -1.71 0.00 0.00 66.02 63.46 1x5x s SER 93 CO 0.55 -1.48 1.60 -0.62 1.20 0.00 0.00 173.24 174.49 1x5x n GLU 94 N -2.60 2.02 -2.19 5.44 1.02 -1.26 -4.64 120.64 118.43 1x5x n GLU 94 Ca 0.11 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.55 1x5x n GLU 94 Cb 0.60 -2.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 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 1.43 3.86 0.24 2.62 1.01 -1.26 -4.71 120.40 123.58 1x5x s VAL 95 Ca 0.82 1.01 0.05 0.00 0.00 0.00 0.00 61.98 63.87 1x5x s VAL 95 Cb -0.72 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1x5x s VAL 95 CO 0.42 -0.17 0.34 0.68 0.00 0.00 0.00 175.10 176.37 1x5x s VAL 96 N 4.21 5.18 0.20 2.92 -7.23 -0.32 -4.91 120.40 120.45 1x5x s VAL 96 Ca 0.66 -1.03 0.10 0.00 -1.81 0.00 0.00 61.98 59.90 1x5x s VAL 96 Cb -0.27 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.82 1x5x s VAL 96 CO 0.25 -0.33 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.94 1x5x s GLU 97 N -3.97 1.83 0.22 4.82 8.01 -1.26 -1.10 118.70 127.25 1x5x s GLU 97 Ca 0.34 -1.43 -0.18 0.00 0.01 0.00 0.00 54.97 53.72 1x5x s GLU 97 Cb -0.09 -2.00 0.02 0.00 -4.31 0.00 0.00 34.13 27.75 1x5x s GLU 97 CO 0.29 0.41 0.56 -0.06 0.01 0.00 0.00 175.26 176.46 1x5x s PHE 98 N -1.81 -0.07 0.01 1.61 0.08 -0.39 -4.98 117.98 112.43 1x5x s PHE 98 Ca 0.24 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 1x5x s PHE 98 Cb -0.08 0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 42.79 1x5x s PHE 98 CO 0.13 -1.00 -0.01 0.99 -0.10 0.00 0.00 175.22 175.24 1x5x s THR 99 N -3.90 0.08 0.83 0.64 2.01 -1.26 -2.38 115.64 111.66 1x5x s THR 99 Ca 0.12 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1x5x s THR 99 Cb -0.02 -0.23 0.16 0.00 0.01 0.00 0.00 72.50 72.43 1x5x s THR 99 CO 0.01 -0.39 1.15 0.42 -0.69 0.00 0.00 174.62 175.12 1x5x s THR 100 N -1.15 2.06 0.45 -0.82 -4.23 -1.24 -4.84 115.64 105.87 1x5x s THR 100 Ca -0.13 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1x5x s THR 100 Cb -0.08 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1x5x s THR 100 CO -0.01 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.71 1x5x s PRO 102 N -4.49 4.40 -0.63 0.00 0.04 -1.26 -3.00 135.00 130.05 1x5x s PRO 102 Ca 0.51 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 1x5x s PRO 102 Cb -0.10 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 31.04 1x5x s PRO 102 CO 0.36 -0.34 1.03 0.34 0.04 0.00 0.00 177.00 178.43 1x5x s ASP 103 N 1.27 6.24 -0.29 6.66 2.15 -1.26 -4.95 116.67 126.49 1x5x s ASP 103 Ca 0.57 -0.62 -0.03 0.00 0.43 0.00 0.00 52.55 52.90 1x5x s ASP 103 Cb -0.27 -2.46 0.10 0.00 -0.30 0.00 0.00 42.92 39.99 1x5x s ASP 103 CO 0.26 -1.45 0.12 -0.55 -0.17 0.00 0.00 175.17 173.38 1x5x s SER 104 N 3.38 3.65 0.43 -0.34 0.15 -1.26 -5.11 113.70 114.61 1x5x s SER 104 Ca 0.28 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1x5x s SER 104 Cb -0.13 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1x5x s SER 104 CO 0.15 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1x5x n GLY 105 N 5.11 0.41 3.82 9.45 0.00 -1.26 -4.69 105.19 118.02 1x5x n GLY 105 Ca -0.05 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1x5x n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5x s PRO 106 N 0.00 3.05 -0.31 1.61 0.04 -1.26 -4.89 135.00 133.24 1x5x s PRO 106 Ca 0.00 1.01 -0.44 0.00 0.04 0.00 0.00 61.00 61.62 1x5x s PRO 106 Cb 0.00 -2.00 -0.19 0.00 0.04 0.00 0.00 34.50 32.35 1x5x s PRO 106 CO 0.00 -1.01 1.49 0.45 0.04 0.00 0.00 177.00 177.97 1x5x n SER 107 N -2.84 1.18 -2.54 6.66 2.88 -1.26 -3.58 113.62 114.12 1x5x n SER 107 Ca 0.08 1.16 -0.03 0.00 -1.33 0.00 0.00 58.87 58.74 1x5x n SER 107 Cb 0.53 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 63.01 1x5x n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5x n SER 108 N 3.60 -3.88 0.00 -3.46 2.88 -1.26 -5.22 113.62 106.28 1x5x n SER 108 Ca 0.27 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 59.27 1x5x n SER 108 Cb 0.02 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 58.78 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42