#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5x n SER 2 N 0.00 -2.78 -3.80 1.61 7.64 -1.26 -4.99 113.62 110.04 1x5x n SER 2 Ca 0.00 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.81 1x5x n SER 2 Cb 0.00 -1.07 -0.16 0.00 -1.01 0.00 0.00 64.21 61.97 1x5x n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5x s SER 3 N -1.80 3.36 0.00 6.43 0.01 -1.26 -5.12 113.70 115.33 1x5x s SER 3 Ca 0.53 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1x5x s SER 3 Cb -0.18 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1x5x s SER 3 CO 0.70 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1x5x n GLY 4 N 4.90 1.51 3.02 3.44 0.00 -1.26 -5.06 105.19 111.75 1x5x n GLY 4 Ca -0.09 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1x5x n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5x s SER 5 N -1.00 4.73 -0.43 1.61 0.01 -1.26 -5.00 113.70 112.35 1x5x s SER 5 Ca 0.00 -2.07 0.05 0.00 1.31 0.00 0.00 55.95 55.24 1x5x s SER 5 Cb 0.00 -1.62 0.19 0.00 0.21 0.00 0.00 66.02 64.80 1x5x s SER 5 CO 0.00 -0.36 0.40 -1.20 0.41 0.00 0.00 173.24 172.49 1x5x n SER 6 N 4.27 -0.03 0.00 2.44 7.64 -1.26 -5.02 113.62 121.66 1x5x n SER 6 Ca 0.02 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1x5x n SER 6 Cb 0.42 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1x5x n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5x n GLY 7 N 2.43 -1.86 3.81 0.23 0.00 -1.26 -4.98 105.19 103.56 1x5x n GLY 7 Ca 0.27 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 2.45 0.69 1.61 0.04 -1.26 -5.04 135.00 133.49 1x5x s PRO 8 Ca 0.00 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 1x5x s PRO 8 Cb 0.00 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.76 1x5x s PRO 8 CO 0.00 -1.40 0.62 0.43 0.04 0.00 0.00 177.00 176.69 1x5x n SER 9 N -3.30 -1.60 -4.66 6.66 7.64 -1.26 -4.77 113.62 112.33 1x5x n SER 9 Ca 0.07 -0.88 -0.43 0.00 1.01 0.00 0.00 58.87 58.65 1x5x n SER 9 Cb 0.55 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 -4.40 4.23 0.85 1.43 1.75 -1.26 -4.89 119.30 117.01 1x5x s MET 10 Ca 0.40 1.68 -0.12 0.00 -1.25 0.00 0.00 55.69 56.40 1x5x s MET 10 Cb -0.04 -3.77 0.10 0.00 2.84 0.00 0.00 34.83 33.96 1x5x s MET 10 CO 0.31 -0.71 1.12 -1.25 -0.65 0.00 0.00 175.02 173.83 1x5x s PRO 11 N 3.52 1.63 0.12 4.11 0.04 -1.26 -4.82 135.00 138.33 1x5x s PRO 11 Ca 0.55 0.46 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 1x5x s PRO 11 Cb -0.22 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1x5x s PRO 11 CO 0.15 -1.90 0.83 0.00 0.04 0.00 0.00 177.00 176.12 1x5x s ALA 12 N -3.22 3.37 0.43 8.56 0.00 -1.26 -4.73 121.76 124.91 1x5x s ALA 12 Ca 0.62 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 1x5x s ALA 12 Cb -0.14 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 1x5x s ALA 12 CO 0.54 0.15 0.45 0.43 0.00 0.00 0.00 175.76 177.32 1x5x n SER 13 N 2.22 -1.31 -4.70 0.00 7.64 -1.26 -4.24 113.62 111.96 1x5x n SER 13 Ca -0.03 0.87 -0.42 0.00 1.01 0.00 0.00 58.87 60.30 1x5x n SER 13 Cb 0.49 -1.07 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.51 4.41 0.03 1.43 0.04 -1.26 -4.72 135.00 133.40 1x5x s PRO 14 Ca 0.63 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 1x5x s PRO 14 Cb -0.59 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 30.51 1x5x s PRO 14 CO 0.59 -0.32 0.04 1.33 0.04 0.00 0.00 177.00 178.67 1x5x n VAL 15 N 4.20 0.00 -3.49 -0.36 0.24 0.17 -4.75 118.33 114.34 1x5x n VAL 15 Ca 0.10 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.34 62.09 1x5x n VAL 15 Cb 0.47 -1.78 -0.13 0.00 -1.47 0.00 0.00 33.84 30.93 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 0.56 0.02 1.34 2.96 -1.26 -1.72 118.68 120.57 1x5x s LEU 16 Ca 0.02 -1.53 -0.26 0.00 -0.22 0.00 0.00 54.13 52.14 1x5x s LEU 16 Cb -0.00 -0.23 -0.16 0.00 0.50 0.00 0.00 46.19 46.30 1x5x s LEU 16 CO 0.02 -0.38 1.27 0.71 -1.32 0.00 0.00 176.35 176.64 1x5x h THR 17 N 5.89 0.55 -4.03 3.68 1.35 -1.39 -3.45 112.91 115.52 1x5x h THR 17 Ca -0.10 -0.47 -0.40 0.00 -0.55 0.00 0.00 66.41 64.89 1x5x h THR 17 Cb 1.01 0.76 -0.26 0.00 -1.73 0.00 0.00 68.15 67.93 1x5x h THR 17 CO 0.36 0.08 -0.78 -0.75 -0.25 0.00 0.00 175.52 174.18 1x5x s LYS 18 N -4.85 0.80 -0.25 4.72 2.20 -1.20 -5.05 119.74 116.11 1x5x s LYS 18 Ca -0.14 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 1x5x s LYS 18 Cb 0.02 -0.76 0.03 0.00 -1.51 0.00 0.00 37.83 35.61 1x5x s LYS 18 CO 0.54 0.19 -0.05 0.00 -0.36 0.00 0.00 175.35 175.67 1x5x s ALA 19 N -0.66 2.72 0.34 3.13 0.00 -1.26 -1.17 121.76 124.85 1x5x s ALA 19 Ca 0.01 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.52 1x5x s ALA 19 Cb -0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1x5x s ALA 19 CO 0.00 -0.83 0.52 0.20 0.00 0.00 0.00 175.76 175.66 1x5x s GLY 20 N 1.33 1.37 0.27 0.00 0.00 0.37 -4.57 107.32 106.09 1x5x s GLY 20 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1x5x s GLY 20 CO -0.04 -0.99 1.69 -2.22 0.00 0.00 0.00 173.10 171.54 1x5x h ILE 21 N 0.80 1.28 0.00 0.90 2.04 -1.90 -3.24 117.51 117.39 1x5x h ILE 21 Ca -0.49 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.97 1x5x h ILE 21 Cb 1.23 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 1x5x h ILE 21 CO 0.60 0.43 -0.43 0.35 0.00 0.00 0.00 178.15 179.10 1x5x n THR 22 N -4.09 0.82 -3.58 -0.27 -2.24 -1.26 -3.60 114.28 100.06 1x5x n THR 22 Ca -0.01 -1.21 -0.14 0.00 -2.27 0.00 0.00 64.05 60.42 1x5x n THR 22 Cb 0.44 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.24 -0.43 -0.04 4.78 1.48 -1.22 -2.57 118.94 119.69 1x5x s TRP 23 Ca 0.19 0.53 -0.02 0.00 -1.06 0.00 0.00 56.10 55.74 1x5x s TRP 23 Cb 0.19 0.33 0.03 0.00 -1.16 0.00 0.00 33.47 32.86 1x5x s TRP 23 CO -0.03 -0.62 0.06 -0.51 -4.06 0.00 0.00 176.95 171.79 1x5x s LEU 24 N -1.85 0.25 -0.55 -4.66 1.43 -0.89 0.14 118.68 112.54 1x5x s LEU 24 Ca -0.06 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 1x5x s LEU 24 Cb -0.01 -0.09 0.11 0.00 0.03 0.00 0.00 46.19 46.22 1x5x s LEU 24 CO -0.00 -0.23 0.59 -0.55 0.23 0.00 0.00 176.35 176.39 1x5x s SER 25 N 2.03 6.19 0.40 2.29 0.15 -0.32 -0.32 113.70 124.12 1x5x s SER 25 Ca 0.03 -1.52 -0.00 0.00 0.70 0.00 0.00 55.95 55.16 1x5x s SER 25 Cb -0.12 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1x5x s SER 25 CO -0.03 -0.96 0.63 -0.76 1.20 0.00 0.00 173.24 173.32 1x5x s LEU 26 N 2.17 3.82 -0.17 3.45 1.43 -1.02 -1.03 118.68 127.33 1x5x s LEU 26 Ca 0.08 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1x5x s LEU 26 Cb -0.26 -3.32 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1x5x s LEU 26 CO 0.05 -0.49 0.19 -1.58 0.23 0.00 0.00 176.35 174.75 1x5x s GLN 27 N -4.46 0.13 0.31 1.70 0.74 -0.70 -2.99 119.66 114.39 1x5x s GLN 27 Ca 0.44 0.25 0.09 0.00 0.05 0.00 0.00 55.36 56.19 1x5x s GLN 27 Cb -0.10 -1.06 -0.04 0.00 1.10 0.00 0.00 33.01 32.90 1x5x s GLN 27 CO 0.38 -0.57 0.09 1.67 -0.55 0.00 0.00 175.29 176.31 1x5x s TRP 28 N 2.29 2.71 0.45 1.67 -2.14 -1.17 0.41 118.94 123.16 1x5x s TRP 28 Ca 0.05 -0.33 0.04 0.00 2.66 0.00 0.00 56.10 58.52 1x5x s TRP 28 Cb -0.15 -1.48 -0.05 0.00 -3.10 0.00 0.00 33.47 28.69 1x5x s TRP 28 CO -0.10 0.44 0.01 -1.12 -2.66 0.00 0.00 176.95 173.52 1x5x s SER 29 N -3.78 3.89 0.57 -2.66 0.01 -1.26 -4.60 113.70 105.87 1x5x s SER 29 Ca 0.35 -1.50 -0.05 0.00 1.31 0.00 0.00 55.95 56.07 1x5x s SER 29 Cb -0.04 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1x5x s SER 29 CO 0.22 -0.64 0.86 -1.59 0.41 0.00 0.00 173.24 172.50 1x5x s LYS 30 N -3.79 2.91 -0.59 12.44 -2.85 -1.26 -4.24 119.74 122.36 1x5x s LYS 30 Ca 0.23 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.79 1x5x s LYS 30 Cb 0.06 -2.33 0.01 0.00 -2.06 0.00 0.00 37.83 33.51 1x5x s LYS 30 CO 0.12 -0.64 1.51 -1.25 0.10 0.00 0.00 175.35 175.19 1x5x s PRO 31 N -4.91 3.14 0.24 1.78 0.04 -1.26 -4.67 135.00 129.36 1x5x s PRO 31 Ca 0.53 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 1x5x s PRO 31 Cb -0.10 -4.20 -0.16 0.00 0.04 0.00 0.00 34.50 30.08 1x5x s PRO 31 CO 0.44 -2.14 0.41 0.43 0.04 0.00 0.00 177.00 176.17 1x5x n SER 32 N 10.29 -1.60 -2.43 6.66 7.64 -1.26 -2.83 113.62 130.09 1x5x n SER 32 Ca 0.13 1.03 -0.09 0.00 1.01 0.00 0.00 58.87 60.95 1x5x n SER 32 Cb 0.50 -0.91 0.05 0.00 -1.01 0.00 0.00 64.21 62.83 1x5x n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5x n GLY 33 N 2.03 -0.12 3.63 0.23 0.00 -1.26 -4.99 105.19 104.71 1x5x n GLY 33 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1x5x n GLY 33 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x5x n THR 34 N -2.65 0.00 0.08 2.61 -2.24 -1.13 -4.98 114.28 105.98 1x5x n THR 34 Ca -0.11 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1x5x n THR 34 Cb 0.58 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 1x5x n THR 34 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x5x h PRO 35 N -1.88 -0.30 -5.06 -0.78 0.13 -1.94 -3.48 132.00 118.69 1x5x h PRO 35 Ca -0.44 0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.28 1x5x h PRO 35 Cb 1.27 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.33 1x5x h PRO 35 CO 0.40 -0.12 -0.60 -1.12 -0.23 0.00 0.00 178.00 176.33 1x5x s SER 36 N -5.24 1.92 -1.45 1.44 0.01 -1.26 -5.03 113.70 104.09 1x5x s SER 36 Ca -0.06 -1.42 -0.09 0.00 1.31 0.00 0.00 55.95 55.69 1x5x s SER 36 Cb 0.00 0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.23 1x5x s SER 36 CO 0.21 -0.70 2.89 0.47 0.41 0.00 0.00 173.24 176.51 1x5x n ASP 37 N -0.67 8.09 -1.12 2.44 8.00 -1.26 -4.83 116.55 127.19 1x5x n ASP 37 Ca -0.02 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 52.95 1x5x n ASP 37 Cb 0.66 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1x5x n ASP 37 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x5x n GLU 38 N 3.60 2.16 -3.77 -1.24 1.02 -1.26 -5.11 120.64 116.04 1x5x n GLU 38 Ca 0.72 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.57 1x5x n GLU 38 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.53 1x5x n GLU 38 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1x5x s GLY 39 N -1.28 1.52 0.47 0.62 0.00 -1.26 -5.11 107.32 102.26 1x5x s GLY 39 Ca 0.00 -2.27 -0.21 0.00 0.00 0.00 0.00 44.72 42.23 1x5x s GLY 39 CO 0.00 1.47 1.07 -0.42 0.00 0.00 0.00 173.10 175.22 1x5x s ILE 40 N 0.87 3.60 0.26 0.90 1.01 -1.26 -5.02 121.20 121.56 1x5x s ILE 40 Ca 0.14 1.08 0.07 0.00 0.00 0.00 0.00 60.65 61.94 1x5x s ILE 40 Cb -0.21 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1x5x s ILE 40 CO -0.10 -0.13 0.25 -0.44 0.00 0.00 0.00 174.94 174.51 1x5x s SER 41 N -1.76 5.69 -0.03 3.58 0.01 -1.14 -4.76 113.70 115.29 1x5x s SER 41 Ca 0.65 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 1x5x s SER 41 Cb -0.20 -1.46 0.03 0.00 0.21 0.00 0.00 66.02 64.59 1x5x s SER 41 CO 0.25 -0.08 0.05 -0.31 0.41 0.00 0.00 173.24 173.55 1x5x s TYR 42 N -2.12 0.05 -0.24 2.43 1.51 -1.11 -1.78 117.35 116.11 1x5x s TYR 42 Ca 0.34 0.21 -0.14 0.00 -1.01 0.00 0.00 57.07 56.47 1x5x s TYR 42 Cb -0.08 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 1x5x s TYR 42 CO 0.26 -0.15 0.31 0.42 -1.11 0.00 0.00 175.55 175.28 1x5x s ILE 43 N 1.74 5.24 -0.44 2.71 1.01 0.27 -4.20 121.20 127.54 1x5x s ILE 43 Ca -0.00 0.49 -0.24 0.00 0.00 0.00 0.00 60.65 60.89 1x5x s ILE 43 Cb -0.12 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1x5x s ILE 43 CO -0.03 0.25 0.84 -0.22 0.00 0.00 0.00 174.94 175.78 1x5x s LEU 44 N 1.47 4.15 0.39 2.97 2.96 -1.12 -1.32 118.68 128.17 1x5x s LEU 44 Ca 0.14 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1x5x s LEU 44 Cb -0.15 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1x5x s LEU 44 CO 0.08 -0.95 0.59 -1.61 -1.32 0.00 0.00 176.35 173.14 1x5x s GLU 45 N 3.45 3.29 -0.27 1.98 2.02 -0.78 0.82 118.70 129.21 1x5x s GLU 45 Ca 0.33 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1x5x s GLU 45 Cb -0.11 -2.63 0.08 0.00 0.10 0.00 0.00 34.13 31.57 1x5x s GLU 45 CO 0.23 -0.03 0.80 1.41 0.02 0.00 0.00 175.26 177.69 1x5x s MET 46 N -4.41 0.76 -0.14 1.61 -2.45 -0.78 -3.06 119.30 110.83 1x5x s MET 46 Ca 0.44 0.88 -0.14 0.00 -1.25 0.00 0.00 55.69 55.61 1x5x s MET 46 Cb -0.10 0.37 0.04 0.00 1.25 0.00 0.00 34.83 36.39 1x5x s MET 46 CO 0.37 -0.09 0.40 -2.00 1.05 0.00 0.00 175.02 174.74 1x5x s GLU 47 N 0.31 0.49 -0.14 4.11 -6.30 -1.11 -2.13 118.70 113.93 1x5x s GLU 47 Ca 0.01 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.96 1x5x s GLU 47 Cb -0.05 0.24 0.02 0.00 0.00 0.00 0.00 34.13 34.34 1x5x s GLU 47 CO -0.01 -0.07 -0.11 -1.83 0.02 0.00 0.00 175.26 173.26 1x5x s GLU 48 N 0.05 1.98 0.65 4.30 -1.05 -1.26 -3.49 118.70 119.88 1x5x s GLU 48 Ca -0.01 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1x5x s GLU 48 Cb -0.03 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 1x5x s GLU 48 CO 0.01 -0.25 0.00 0.39 0.95 0.00 0.00 175.26 176.36 1x5x n GLU 49 N 4.84 0.00 -0.92 -4.83 1.02 -1.26 -4.73 120.64 114.76 1x5x n GLU 49 Ca -0.15 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.69 1x5x n GLU 49 Cb 0.50 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.17 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 0.00 1.53 0.00 2.62 -4.23 -1.26 -4.94 115.64 109.36 1x5x s THR 50 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1x5x s THR 50 Cb 0.00 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1x5x s THR 50 CO 0.00 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.84 1x5x n SER 51 N -4.95 0.00 0.00 3.99 2.88 -1.26 -5.05 113.62 109.23 1x5x n SER 51 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1x5x n SER 51 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.00 0.67 2.01 0.46 0.00 -1.26 -5.05 105.19 102.03 1x5x n GLY 52 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.46 0.00 1.61 4.01 -1.26 -5.18 117.16 113.89 1x5x n TYR 53 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1x5x n TYR 53 Cb 0.00 0.66 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.32 2.45 3.61 2.72 0.00 -1.26 -5.00 105.19 106.38 1x5x n GLY 54 Ca 0.00 -1.97 -0.60 0.00 0.00 0.00 0.00 46.02 43.45 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 0.67 1.28 -3.95 1.61 3.72 -1.26 -4.93 117.46 114.59 1x5x n PHE 55 Ca 0.00 0.93 -0.31 0.00 -0.05 0.00 0.00 57.45 58.02 1x5x n PHE 55 Cb 0.00 -2.22 -0.05 0.00 -0.94 0.00 0.00 39.48 36.27 1x5x n PHE 55 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1x5x s LYS 56 N 1.31 3.31 0.13 -1.08 0.00 -0.91 -4.83 119.74 117.68 1x5x s LYS 56 Ca 0.94 -0.49 -0.30 0.00 0.00 0.00 0.00 55.97 56.12 1x5x s LYS 56 Cb -1.24 -2.97 -0.07 0.00 0.00 0.00 0.00 37.83 33.55 1x5x s LYS 56 CO 0.62 0.60 1.14 -1.25 0.00 0.00 0.00 175.35 176.47 1x5x s PRO 57 N -2.44 4.53 -0.11 1.78 0.04 -1.26 -1.86 135.00 135.67 1x5x s PRO 57 Ca 0.33 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1x5x s PRO 57 Cb -0.13 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1x5x s PRO 57 CO 0.26 -0.06 -0.24 1.63 0.04 0.00 0.00 177.00 178.63 1x5x n LYS 58 N 2.98 0.36 -4.14 4.56 4.76 0.24 -4.97 118.16 121.95 1x5x n LYS 58 Ca 0.05 0.14 -0.29 0.00 -2.87 0.00 0.00 58.31 55.35 1x5x n LYS 58 Cb 0.46 -1.12 -0.08 0.00 -1.84 0.00 0.00 35.03 32.46 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1x5x s TYR 59 N -2.42 2.98 -0.41 2.13 5.04 -1.20 -4.96 117.35 118.52 1x5x s TYR 59 Ca -0.20 -0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.42 1x5x s TYR 59 Cb 0.03 -1.50 0.17 0.00 0.35 0.00 0.00 41.96 41.00 1x5x s TYR 59 CO 0.29 0.49 0.40 0.16 -1.34 0.00 0.00 175.55 175.56 1x5x s ASP 60 N -2.57 1.02 0.00 4.32 1.47 -1.26 -2.81 116.67 116.85 1x5x s ASP 60 Ca 0.27 -2.26 0.00 0.00 1.18 0.00 0.00 52.55 51.74 1x5x s ASP 60 Cb -0.11 0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.76 1x5x s ASP 60 CO 0.19 -0.19 0.00 0.61 0.68 0.00 0.00 175.17 176.46 1x5x n GLY 61 N 3.45 3.42 2.39 2.12 0.00 -1.26 -5.07 105.19 110.24 1x5x n GLY 61 Ca 0.20 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1x5x n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5x n GLU 62 N 0.00 3.15 -4.35 1.61 1.02 -1.26 -2.75 120.64 118.07 1x5x n GLU 62 Ca 0.00 -4.23 -0.26 0.00 -0.02 0.00 0.00 57.16 52.65 1x5x n GLU 62 Cb 0.00 -2.12 -0.10 0.00 -0.02 0.00 0.00 31.44 29.20 1x5x n GLU 62 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5x s ASP 63 N -3.53 3.95 -0.41 1.62 1.01 -1.26 -4.96 116.67 113.09 1x5x s ASP 63 Ca 0.46 -0.71 0.05 0.00 0.71 0.00 0.00 52.55 53.06 1x5x s ASP 63 Cb 0.40 -0.54 0.66 0.00 1.01 0.00 0.00 42.92 44.45 1x5x s ASP 63 CO -0.09 0.10 1.87 0.18 0.21 0.00 0.00 175.17 177.43 1x5x n LEU 64 N 0.03 6.51 -3.60 1.23 4.77 -1.26 -4.75 117.00 119.92 1x5x n LEU 64 Ca -0.11 -3.46 -0.08 0.00 -0.03 0.00 0.00 56.01 52.33 1x5x n LEU 64 Cb 0.56 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1x5x n LEU 64 CO 0.34 0.99 0.87 0.00 -1.33 0.00 0.00 177.39 178.26 1x5x s ALA 65 N -3.13 -2.00 0.12 -1.18 0.00 -1.26 -3.06 121.76 111.26 1x5x s ALA 65 Ca 0.55 1.70 -0.20 0.00 0.00 0.00 0.00 51.96 54.00 1x5x s ALA 65 Cb 0.46 -1.07 0.05 0.00 0.00 0.00 0.00 23.12 22.56 1x5x s ALA 65 CO 0.11 -0.27 0.51 -0.47 0.00 0.00 0.00 175.76 175.64 1x5x s TYR 66 N -0.79 -0.39 -0.32 0.00 5.04 -1.16 -5.05 117.35 114.68 1x5x s TYR 66 Ca 0.02 0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1x5x s TYR 66 Cb -0.02 0.40 0.08 0.00 0.35 0.00 0.00 41.96 42.77 1x5x s TYR 66 CO -0.03 -0.75 0.02 0.99 -1.34 0.00 0.00 175.55 174.45 1x5x s THR 67 N -3.47 2.62 0.49 4.34 2.01 -1.26 -2.42 115.64 117.95 1x5x s THR 67 Ca 0.00 -1.85 -0.21 0.00 0.31 0.00 0.00 61.69 59.93 1x5x s THR 67 Cb 0.00 -2.69 -0.07 0.00 0.01 0.00 0.00 72.50 69.75 1x5x s THR 67 CO -0.10 -0.34 1.13 -0.69 -0.69 0.00 0.00 174.62 173.94 1x5x s VAL 68 N 1.09 3.23 0.27 3.82 1.01 0.56 -4.86 120.40 125.52 1x5x s VAL 68 Ca 0.01 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1x5x s VAL 68 Cb -0.20 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1x5x s VAL 68 CO -0.05 -0.09 0.13 -0.54 0.00 0.00 0.00 175.10 174.56 1x5x s LYS 69 N -2.96 1.46 -0.47 2.72 1.02 -1.26 -2.10 119.74 118.14 1x5x s LYS 69 Ca 0.67 -1.81 -0.15 0.00 0.02 0.00 0.00 55.97 54.71 1x5x s LYS 69 Cb -0.25 -0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1x5x s LYS 69 CO 0.30 -0.39 0.61 0.09 -0.92 0.00 0.00 175.35 175.05 1x5x n ASN 70 N -0.65 -7.85 -2.82 2.83 3.02 -1.06 -4.92 115.26 103.81 1x5x n ASN 70 Ca 0.01 0.44 -0.16 0.00 -0.03 0.00 0.00 54.58 54.84 1x5x n ASN 70 Cb 0.66 -5.26 -0.05 0.00 -0.61 0.00 0.00 39.78 34.51 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x5x n LEU 71 N -0.49 0.00 -4.29 3.41 4.77 -1.21 -5.00 117.00 114.19 1x5x n LEU 71 Ca 0.10 -2.27 -0.27 0.00 -0.03 0.00 0.00 56.01 53.53 1x5x n LEU 71 Cb 0.47 1.04 -0.14 0.00 -2.33 0.00 0.00 43.42 42.47 1x5x n LEU 71 CO 0.49 -0.37 -0.54 -0.13 -1.33 0.00 0.00 177.39 175.51 1x5x s ARG 72 N -3.03 1.55 0.41 3.23 0.52 -1.26 -4.76 118.95 115.61 1x5x s ARG 72 Ca 0.24 -1.02 -0.26 0.00 -0.52 0.00 0.00 55.73 54.16 1x5x s ARG 72 Cb 0.01 -1.70 -0.09 0.00 0.52 0.00 0.00 34.95 33.69 1x5x s ARG 72 CO 0.17 0.43 1.35 -0.98 0.02 0.00 0.00 175.30 176.29 1x5x s ARG 73 N -1.24 3.91 -0.52 3.54 1.70 -1.24 -3.77 118.95 121.33 1x5x s ARG 73 Ca 0.09 2.25 -0.30 0.00 -0.47 0.00 0.00 55.73 57.30 1x5x s ARG 73 Cb -0.09 -2.75 0.05 0.00 -0.57 0.00 0.00 34.95 31.58 1x5x s ARG 73 CO 0.02 -0.57 0.65 -1.13 -1.08 0.00 0.00 175.30 173.19 1x5x n SER 74 N 0.08 -5.60 -3.71 -2.89 3.41 -1.21 -4.98 113.62 98.72 1x5x n SER 74 Ca 0.04 -0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1x5x n SER 74 Cb 0.43 -1.98 -0.13 0.00 -0.26 0.00 0.00 64.21 62.27 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x5x s THR 75 N -1.85 -0.12 -0.07 6.66 2.01 -1.25 -4.96 115.64 116.07 1x5x s THR 75 Ca 0.30 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1x5x s THR 75 Cb -0.03 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1x5x s THR 75 CO 0.87 0.07 1.18 -0.54 -0.69 0.00 0.00 174.62 175.51 1x5x s LYS 76 N 1.52 4.35 0.02 4.92 1.02 -1.26 -4.11 119.74 126.20 1x5x s LYS 76 Ca -0.07 1.64 0.04 0.00 0.02 0.00 0.00 55.97 57.59 1x5x s LYS 76 Cb -0.10 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 1x5x s LYS 76 CO -0.09 -0.45 -0.11 0.71 -0.92 0.00 0.00 175.35 174.48 1x5x s TYR 77 N 2.30 0.95 -0.09 3.18 2.02 -1.01 -4.90 117.35 119.79 1x5x s TYR 77 Ca 0.55 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1x5x s TYR 77 Cb -0.24 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1x5x s TYR 77 CO 0.21 -0.00 -0.08 0.15 -1.57 0.00 0.00 175.55 174.25 1x5x s LYS 78 N -0.87 3.01 0.04 -0.62 1.02 -1.23 -1.64 119.74 119.45 1x5x s LYS 78 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.44 1x5x s LYS 78 Cb -0.07 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1x5x s LYS 78 CO 0.01 0.50 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.77 1x5x s PHE 79 N -0.36 0.85 -0.06 3.18 0.08 0.51 -2.76 117.98 119.42 1x5x s PHE 79 Ca 0.05 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.70 1x5x s PHE 79 Cb -0.12 -0.51 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1x5x s PHE 79 CO 0.02 -0.02 0.13 -1.59 -0.10 0.00 0.00 175.22 173.66 1x5x s LYS 80 N -1.19 0.09 -0.01 0.44 -2.85 -1.17 -0.17 119.74 114.87 1x5x s LYS 80 Ca -0.04 0.31 -0.24 0.00 -1.00 0.00 0.00 55.97 55.00 1x5x s LYS 80 Cb -0.08 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.51 1x5x s LYS 80 CO 0.01 -0.13 0.74 0.54 0.10 0.00 0.00 175.35 176.60 1x5x s VAL 81 N 0.93 4.90 -0.22 1.79 0.11 -1.26 -1.86 120.40 124.79 1x5x s VAL 81 Ca -0.07 1.54 0.01 0.00 -2.93 0.00 0.00 61.98 60.54 1x5x s VAL 81 Cb -0.09 -4.08 0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1x5x s VAL 81 CO -0.04 0.30 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.29 1x5x s ILE 82 N 0.41 1.81 -0.27 7.04 1.01 -0.43 -1.69 121.20 129.08 1x5x s ILE 82 Ca 0.38 -1.22 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1x5x s ILE 82 Cb -0.19 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1x5x s ILE 82 CO 0.21 0.10 0.61 0.00 0.00 0.00 0.00 174.94 175.85 1x5x s ALA 83 N 1.30 3.59 0.22 9.38 0.00 -1.26 0.97 121.76 135.96 1x5x s ALA 83 Ca -0.04 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1x5x s ALA 83 Cb -0.17 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1x5x s ALA 83 CO -0.07 -0.85 -0.12 1.52 0.00 0.00 0.00 175.76 176.24 1x5x s TYR 84 N 2.49 1.73 0.14 0.00 -0.85 -0.73 -2.56 117.35 117.58 1x5x s TYR 84 Ca 0.25 -0.63 0.09 0.00 -0.52 0.00 0.00 57.07 56.26 1x5x s TYR 84 Cb -0.15 -0.86 -0.04 0.00 0.38 0.00 0.00 41.96 41.28 1x5x s TYR 84 CO 0.09 0.31 -0.21 1.21 -1.52 0.00 0.00 175.55 175.43 1x5x s ASN 85 N -3.34 2.78 0.60 -0.18 2.47 0.55 -2.87 114.94 114.95 1x5x s ASN 85 Ca 0.24 -0.79 0.28 0.00 0.42 0.00 0.00 52.86 53.02 1x5x s ASN 85 Cb 0.01 -0.17 1.20 0.00 -1.45 0.00 0.00 41.25 40.84 1x5x s ASN 85 CO 0.08 0.04 1.58 -1.28 -3.72 0.00 0.00 177.10 173.79 1x5x h SER 86 N 3.60 0.00 0.04 -4.21 0.87 -2.00 0.83 113.55 112.68 1x5x h SER 86 Ca -0.45 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.03 1x5x h SER 86 Cb 1.19 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1x5x h SER 86 CO 0.45 0.00 -0.34 -0.33 -0.53 0.00 0.00 176.83 176.08 1x5x h GLU 87 N 0.00 0.17 -2.10 2.24 5.08 -2.05 -3.49 114.58 114.42 1x5x h GLU 87 Ca 0.38 -0.23 0.27 0.00 -1.00 0.00 0.00 59.36 58.78 1x5x h GLU 87 Cb 2.17 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 31.43 1x5x h GLU 87 CO -0.00 1.03 0.75 0.20 -1.00 0.00 0.00 179.01 179.99 1x5x s GLY 88 N -4.14 -0.13 0.21 -3.84 0.00 0.29 -5.14 107.32 94.56 1x5x s GLY 88 Ca -0.16 0.09 0.05 0.00 0.00 0.00 0.00 44.72 44.71 1x5x s GLY 88 CO 0.75 2.78 0.22 -1.59 0.00 0.00 0.00 173.10 175.26 1x5x s LYS 89 N -2.28 3.08 0.00 2.90 -2.85 -1.26 0.20 119.74 119.52 1x5x s LYS 89 Ca 0.22 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 1x5x s LYS 89 Cb 0.00 -2.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.07 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 -0.86 0.84 -4.81 0.03 7.64 -1.06 -4.67 113.62 110.73 1x5x n SER 90 Ca -0.08 -0.47 -0.34 0.00 1.01 0.00 0.00 58.87 58.99 1x5x n SER 90 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.56 6.58 0.71 6.43 2.20 -1.26 -4.85 114.94 124.18 1x5x s ASN 91 Ca 0.00 1.83 -0.11 0.00 -0.94 0.00 0.00 52.86 53.65 1x5x s ASN 91 Cb 0.00 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.71 1x5x s ASN 91 CO 0.00 -0.62 1.06 -2.16 -2.94 0.00 0.00 177.10 172.45 1x5x s PRO 92 N -3.22 2.85 0.72 3.55 0.04 -1.26 -4.55 135.00 133.13 1x5x s PRO 92 Ca 0.65 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 1x5x s PRO 92 Cb -0.13 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.55 1x5x s PRO 92 CO 0.17 -1.15 0.99 0.45 0.04 0.00 0.00 177.00 177.50 1x5x s SER 93 N -3.80 4.38 0.19 6.66 0.15 -0.68 -4.95 113.70 115.65 1x5x s SER 93 Ca 0.58 -0.37 -0.33 0.00 0.70 0.00 0.00 55.95 56.53 1x5x s SER 93 Cb -0.14 -0.02 -0.13 0.00 -1.71 0.00 0.00 66.02 64.02 1x5x s SER 93 CO 0.55 -1.84 1.59 -0.62 1.20 0.00 0.00 173.24 174.12 1x5x n GLU 94 N -2.81 2.33 -2.51 5.44 -0.58 -1.26 -4.66 120.64 116.58 1x5x n GLU 94 Ca 0.15 0.84 -0.43 0.00 -0.42 0.00 0.00 57.16 57.30 1x5x n GLU 94 Cb 0.61 -2.61 -0.02 0.00 -0.57 0.00 0.00 31.44 28.84 1x5x n GLU 94 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x5x s VAL 95 N 0.76 4.41 0.38 2.62 1.01 -1.26 -4.64 120.40 123.68 1x5x s VAL 95 Ca 0.75 1.70 0.07 0.00 0.00 0.00 0.00 61.98 64.50 1x5x s VAL 95 Cb -0.62 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 31.63 1x5x s VAL 95 CO 0.39 -0.18 0.46 0.68 0.00 0.00 0.00 175.10 176.45 1x5x s VAL 96 N 3.46 3.30 0.08 2.92 -7.23 0.76 -4.89 120.40 118.81 1x5x s VAL 96 Ca 0.51 -1.13 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 1x5x s VAL 96 Cb -0.19 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 1x5x s VAL 96 CO 0.12 -0.07 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.04 1x5x s GLU 97 N -4.20 0.79 0.29 4.82 2.12 -1.26 -0.36 118.70 120.90 1x5x s GLU 97 Ca 0.49 -1.07 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 1x5x s GLU 97 Cb -0.08 -0.54 0.01 0.00 0.26 0.00 0.00 34.13 33.78 1x5x s GLU 97 CO 0.30 0.09 0.57 -0.06 -0.54 0.00 0.00 175.26 175.62 1x5x s PHE 98 N -2.09 0.38 0.03 5.30 0.08 -0.65 -5.00 117.98 116.02 1x5x s PHE 98 Ca 0.02 -0.79 0.01 0.00 0.12 0.00 0.00 56.93 56.29 1x5x s PHE 98 Cb -0.05 0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.70 1x5x s PHE 98 CO 0.00 -1.16 -0.05 0.99 -0.10 0.00 0.00 175.22 174.91 1x5x s THR 99 N -3.52 0.25 0.65 0.64 2.01 -1.26 -2.40 115.64 112.01 1x5x s THR 99 Ca 0.21 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1x5x s THR 99 Cb -0.02 -0.39 0.09 0.00 0.01 0.00 0.00 72.50 72.19 1x5x s THR 99 CO 0.11 -0.47 0.91 0.42 -0.69 0.00 0.00 174.62 174.90 1x5x s THR 100 N -1.47 2.30 0.59 -0.82 -4.23 -1.26 -4.86 115.64 105.89 1x5x s THR 100 Ca -0.14 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1x5x s THR 100 Cb -0.10 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1x5x s THR 100 CO -0.01 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 174.94 1x5x s PRO 102 N -4.94 1.01 -0.06 0.00 0.04 -1.26 -3.33 135.00 126.46 1x5x s PRO 102 Ca 0.55 0.24 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 1x5x s PRO 102 Cb -0.10 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x5x s PRO 102 CO 0.42 -2.27 0.11 0.34 0.04 0.00 0.00 177.00 175.64 1x5x s ASP 103 N -4.07 0.93 -1.34 6.66 -1.08 -1.26 -4.87 116.67 111.64 1x5x s ASP 103 Ca 0.65 0.21 -0.11 0.00 -0.52 0.00 0.00 52.55 52.77 1x5x s ASP 103 Cb -0.14 0.08 0.12 0.00 -1.46 0.00 0.00 42.92 41.52 1x5x s ASP 103 CO 0.53 -0.25 1.96 -0.24 0.52 0.00 0.00 175.17 177.70 1x5x n SER 104 N 5.30 4.70 0.00 -0.34 2.88 -1.26 -4.82 113.62 120.08 1x5x n SER 104 Ca -0.04 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1x5x n SER 104 Cb 0.50 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1x5x n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 105 N 3.37 -0.44 3.78 0.46 0.00 -1.26 -5.04 105.19 106.06 1x5x n GLY 105 Ca 0.44 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.85 0.60 0.61 1.61 0.04 -1.26 -4.99 135.00 126.76 1x5x s PRO 106 Ca 0.00 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 60.93 1x5x s PRO 106 Cb 0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1x5x s PRO 106 CO 0.00 -2.52 1.09 -1.13 0.04 0.00 0.00 177.00 174.48 1x5x n SER 107 N -3.95 1.29 0.12 6.66 3.41 -1.26 -4.92 113.62 114.98 1x5x n SER 107 Ca 0.10 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1x5x n SER 107 Cb 0.59 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1x5x n SER 107 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5x n SER 108 N -1.09 -0.14 0.00 4.04 2.88 -1.26 -5.28 113.62 112.77 1x5x n SER 108 Ca 0.14 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1x5x n SER 108 Cb 0.47 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42