#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 -6.45 -2.97 1.61 3.41 -1.26 -4.12 113.62 103.85 1x5x n SER 2 Ca 0.00 0.28 -0.01 0.00 -0.26 0.00 0.00 58.87 58.88 1x5x n SER 2 Cb 0.00 -2.54 -0.01 0.00 -0.26 0.00 0.00 64.21 61.40 1x5x n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5x n SER 3 N 0.36 -6.30 -2.78 4.04 3.41 -1.26 -5.03 113.62 106.05 1x5x n SER 3 Ca -0.02 0.92 -0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1x5x n SER 3 Cb 0.52 -3.03 -0.04 0.00 -0.26 0.00 0.00 64.21 61.40 1x5x n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5x n GLY 4 N 1.48 3.60 3.09 5.00 0.00 -1.26 -4.99 105.19 112.10 1x5x n GLY 4 Ca -0.06 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 1x5x n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5x n SER 5 N -1.80 -6.90 -3.99 1.61 3.41 -1.26 -5.01 113.62 99.68 1x5x n SER 5 Ca -0.03 0.62 -0.15 0.00 -0.26 0.00 0.00 58.87 59.05 1x5x n SER 5 Cb 0.35 -2.75 -0.13 0.00 -0.26 0.00 0.00 64.21 61.41 1x5x n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5x s SER 6 N -1.29 0.71 0.00 4.04 0.15 -1.26 -5.02 113.70 111.03 1x5x s SER 6 Ca 0.06 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x5x s SER 6 Cb -0.01 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1x5x s SER 6 CO 0.34 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1x5x n GLY 7 N 2.49 0.42 3.73 9.45 0.00 -1.26 -5.03 105.19 114.98 1x5x n GLY 7 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 3.08 4.54 0.87 1.61 0.04 -1.26 -4.96 135.00 138.92 1x5x s PRO 8 Ca 0.00 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1x5x s PRO 8 Cb 0.00 -3.29 0.23 0.00 0.04 0.00 0.00 34.50 31.47 1x5x s PRO 8 CO 0.00 -0.03 0.51 -1.13 0.04 0.00 0.00 177.00 176.39 1x5x n SER 9 N 2.78 -3.30 -4.63 6.66 3.41 -1.26 -4.62 113.62 112.65 1x5x n SER 9 Ca 0.04 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.71 1x5x n SER 9 Cb 0.46 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1x5x n SER 9 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1x5x s MET 10 N -4.21 3.84 0.82 4.33 1.75 -1.26 -4.82 119.30 119.75 1x5x s MET 10 Ca 0.39 1.82 -0.12 0.00 -1.25 0.00 0.00 55.69 56.54 1x5x s MET 10 Cb -0.07 -4.05 0.08 0.00 2.84 0.00 0.00 34.83 33.63 1x5x s MET 10 CO 0.33 -1.24 1.11 -1.25 -0.65 0.00 0.00 175.02 173.31 1x5x s PRO 11 N 4.64 1.89 0.17 4.11 0.04 -1.26 -4.90 135.00 139.69 1x5x s PRO 11 Ca 0.74 0.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 1x5x s PRO 11 Cb -0.28 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1x5x s PRO 11 CO 0.30 -1.74 0.87 0.00 0.04 0.00 0.00 177.00 176.48 1x5x s ALA 12 N -3.18 3.36 0.46 8.56 0.00 -1.26 -4.70 121.76 124.99 1x5x s ALA 12 Ca 0.61 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 1x5x s ALA 12 Cb -0.14 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.72 1x5x s ALA 12 CO 0.54 0.17 0.30 0.43 0.00 0.00 0.00 175.76 177.20 1x5x n SER 13 N 1.95 -1.95 -4.80 0.00 7.64 -1.26 -4.58 113.62 110.62 1x5x n SER 13 Ca -0.02 0.81 -0.34 0.00 1.01 0.00 0.00 58.87 60.33 1x5x n SER 13 Cb 0.48 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 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 -1.41 3.79 0.34 1.43 0.04 -1.26 -4.83 135.00 133.09 1x5x s PRO 14 Ca 0.62 1.35 0.08 0.00 0.04 0.00 0.00 61.00 63.09 1x5x s PRO 14 Cb -0.57 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1x5x s PRO 14 CO 0.60 -0.44 0.16 0.54 0.04 0.00 0.00 177.00 177.90 1x5x s VAL 15 N -2.00 3.13 -0.54 -0.36 0.11 0.45 -4.89 120.40 116.30 1x5x s VAL 15 Ca 0.67 -1.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 1x5x s VAL 15 Cb -0.16 -3.01 0.14 0.00 -1.53 0.00 0.00 36.38 31.82 1x5x s VAL 15 CO 0.21 -0.19 0.30 -0.22 -3.33 0.00 0.00 175.10 171.87 1x5x s LEU 16 N -3.86 4.73 0.07 2.54 2.96 -1.26 0.13 118.68 123.98 1x5x s LEU 16 Ca 0.38 -2.84 -0.35 0.00 -0.22 0.00 0.00 54.13 51.10 1x5x s LEU 16 Cb -0.03 -1.72 -0.19 0.00 0.50 0.00 0.00 46.19 44.74 1x5x s LEU 16 CO 0.23 -0.31 1.60 0.71 -1.32 0.00 0.00 176.35 177.26 1x5x h THR 17 N 5.55 0.18 -3.47 3.68 1.35 -1.66 -3.43 112.91 115.12 1x5x h THR 17 Ca -0.06 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.32 1x5x h THR 17 Cb 0.93 0.18 -0.33 0.00 -1.73 0.00 0.00 68.15 67.20 1x5x h THR 17 CO 0.68 0.00 -0.80 -0.75 -0.25 0.00 0.00 175.52 174.40 1x5x s LYS 18 N -6.02 1.41 -0.26 4.72 2.20 -1.21 -5.06 119.74 115.53 1x5x s LYS 18 Ca -0.19 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 1x5x s LYS 18 Cb 0.03 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 1x5x s LYS 18 CO 0.61 0.01 0.14 0.00 -0.36 0.00 0.00 175.35 175.75 1x5x s ALA 19 N 0.68 3.37 0.40 3.13 0.00 -1.26 -0.68 121.76 127.40 1x5x s ALA 19 Ca -0.13 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.81 1x5x s ALA 19 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1x5x s ALA 19 CO 0.03 -0.50 0.47 0.20 0.00 0.00 0.00 175.76 175.95 1x5x s GLY 20 N 1.65 1.96 -0.05 0.00 0.00 0.90 -4.40 107.32 107.38 1x5x s GLY 20 Ca 0.07 -1.72 -0.20 0.00 0.00 0.00 0.00 44.72 42.86 1x5x s GLY 20 CO 0.08 -1.56 0.83 -2.22 0.00 0.00 0.00 173.10 170.23 1x5x h ILE 21 N 0.86 0.77 -0.35 0.90 2.04 -1.92 -3.07 117.51 116.74 1x5x h ILE 21 Ca -0.42 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.24 1x5x h ILE 21 Cb 1.27 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.59 1x5x h ILE 21 CO 0.51 0.20 0.01 0.35 0.00 0.00 0.00 178.15 179.22 1x5x n THR 22 N -4.93 2.47 -3.49 -0.27 -2.24 -1.26 -3.68 114.28 100.87 1x5x n THR 22 Ca -0.07 -2.26 -0.15 0.00 -2.27 0.00 0.00 64.05 59.29 1x5x n THR 22 Cb 0.26 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.04 -0.58 -0.11 4.78 1.48 -1.25 -2.74 118.94 117.47 1x5x s TRP 23 Ca 0.44 0.76 -0.03 0.00 -1.06 0.00 0.00 56.10 56.21 1x5x s TRP 23 Cb 0.38 0.45 0.04 0.00 -1.16 0.00 0.00 33.47 33.18 1x5x s TRP 23 CO 0.05 -0.70 0.05 -0.51 -4.06 0.00 0.00 176.95 171.78 1x5x s LEU 24 N -1.84 0.51 -0.66 -4.66 1.43 -0.54 -0.07 118.68 112.84 1x5x s LEU 24 Ca -0.06 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 1x5x s LEU 24 Cb -0.00 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.94 1x5x s LEU 24 CO 0.00 -0.27 1.04 -0.44 0.23 0.00 0.00 176.35 176.91 1x5x s SER 25 N 2.05 6.19 0.71 2.29 0.01 0.14 -1.37 113.70 123.72 1x5x s SER 25 Ca 0.03 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 1x5x s SER 25 Cb -0.14 -2.45 0.10 0.00 0.21 0.00 0.00 66.02 63.73 1x5x s SER 25 CO -0.06 -1.51 1.00 -0.76 0.41 0.00 0.00 173.24 172.32 1x5x s LEU 26 N 4.44 2.95 -0.29 2.44 1.43 -0.89 -1.91 118.68 126.85 1x5x s LEU 26 Ca 0.26 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.25 1x5x s LEU 26 Cb -0.14 -2.54 0.13 0.00 0.03 0.00 0.00 46.19 43.66 1x5x s LEU 26 CO 0.12 -1.75 0.83 -1.58 0.23 0.00 0.00 176.35 174.20 1x5x s GLN 27 N -5.19 0.50 0.18 1.70 0.74 0.12 -3.78 119.66 113.92 1x5x s GLN 27 Ca 0.64 1.00 0.02 0.00 0.05 0.00 0.00 55.36 57.07 1x5x s GLN 27 Cb -0.08 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.32 1x5x s GLN 27 CO 0.44 -0.13 -0.01 1.67 -0.55 0.00 0.00 175.29 176.71 1x5x s TRP 28 N 1.97 1.26 0.34 1.67 -2.14 -1.18 0.17 118.94 121.03 1x5x s TRP 28 Ca -0.07 -0.97 0.04 0.00 2.66 0.00 0.00 56.10 57.75 1x5x s TRP 28 Cb -0.06 -0.71 -0.06 0.00 -3.10 0.00 0.00 33.47 29.53 1x5x s TRP 28 CO -0.18 -0.15 0.06 -1.12 -2.66 0.00 0.00 176.95 172.90 1x5x s SER 29 N -3.19 2.52 0.43 -2.66 0.01 -1.26 -4.58 113.70 104.96 1x5x s SER 29 Ca 0.24 -1.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.03 1x5x s SER 29 Cb 0.06 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 1x5x s SER 29 CO 0.04 -0.64 0.73 -1.59 0.41 0.00 0.00 173.24 172.19 1x5x s LYS 30 N -3.87 3.59 0.86 12.44 -2.85 -1.26 -4.45 119.74 124.20 1x5x s LYS 30 Ca 0.34 0.17 -0.12 0.00 -1.00 0.00 0.00 55.97 55.36 1x5x s LYS 30 Cb 0.08 -2.44 0.11 0.00 -2.06 0.00 0.00 37.83 33.52 1x5x s LYS 30 CO 0.15 -0.09 1.12 -1.25 0.10 0.00 0.00 175.35 175.38 1x5x s PRO 31 N -4.40 1.56 0.53 1.78 0.04 -1.26 -4.88 135.00 128.37 1x5x s PRO 31 Ca 0.47 0.44 -0.19 0.00 0.04 0.00 0.00 61.00 61.76 1x5x s PRO 31 Cb -0.10 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1x5x s PRO 31 CO 0.40 -1.94 1.07 0.45 0.04 0.00 0.00 177.00 177.01 1x5x s SER 32 N -3.98 6.02 -0.10 6.66 0.15 -1.26 -4.33 113.70 116.86 1x5x s SER 32 Ca 0.62 1.98 -0.09 0.00 0.70 0.00 0.00 55.95 59.17 1x5x s SER 32 Cb -0.15 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1x5x s SER 32 CO 0.54 -1.01 0.14 0.61 1.20 0.00 0.00 173.24 174.72 1x5x n GLY 33 N -0.28 0.04 3.87 9.45 0.00 -1.26 -4.91 105.19 112.10 1x5x n GLY 33 Ca 0.10 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.97 4.75 0.02 2.61 -4.23 -1.26 -5.03 115.64 111.53 1x5x s THR 34 Ca 0.08 0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1x5x s THR 34 Cb -0.01 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.05 1x5x s THR 34 CO 0.19 -0.74 0.03 -0.81 -0.54 0.00 0.00 174.62 172.74 1x5x n PRO 35 N -1.83 -0.54 -2.21 3.99 -0.04 -1.26 -4.87 135.00 128.24 1x5x n PRO 35 Ca 0.03 -0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.06 1x5x n PRO 35 Cb 0.54 -0.03 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 1x5x n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5x n SER 36 N -3.03 4.14 -3.27 3.54 7.64 -1.26 -4.75 113.62 116.62 1x5x n SER 36 Ca 0.00 -2.84 -0.07 0.00 1.01 0.00 0.00 58.87 56.98 1x5x n SER 36 Cb 0.01 -1.68 -0.05 0.00 -1.01 0.00 0.00 64.21 61.48 1x5x n SER 36 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x5x s ASP 37 N 4.65 0.01 -0.68 6.43 1.01 -1.26 -5.10 116.67 121.73 1x5x s ASP 37 Ca 0.56 -0.28 -0.26 0.00 0.71 0.00 0.00 52.55 53.29 1x5x s ASP 37 Cb 0.05 1.28 -0.01 0.00 1.01 0.00 0.00 42.92 45.25 1x5x s ASP 37 CO 0.07 -0.34 1.75 -1.61 0.21 0.00 0.00 175.17 175.24 1x5x s GLU 38 N 2.60 2.75 0.00 8.23 2.02 -1.26 -4.42 118.70 128.61 1x5x s GLU 38 Ca 0.10 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.39 1x5x s GLU 38 Cb -0.12 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.66 1x5x s GLU 38 CO -0.29 -2.68 0.00 0.41 0.02 0.00 0.00 175.26 172.72 1x5x n GLY 39 N 5.80 0.52 3.86 -1.39 0.00 -1.26 -5.10 105.19 107.62 1x5x n GLY 39 Ca 0.20 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 5.07 0.01 -0.61 1.01 -1.26 -5.02 121.20 120.40 1x5x s ILE 40 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1x5x s ILE 40 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1x5x s ILE 40 CO 0.00 0.19 -0.17 -0.44 0.00 0.00 0.00 174.94 174.51 1x5x s SER 41 N -2.30 3.81 -0.03 3.58 0.01 -1.23 -4.50 113.70 113.04 1x5x s SER 41 Ca 0.31 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1x5x s SER 41 Cb -0.13 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1x5x s SER 41 CO 0.23 0.29 -0.09 -0.31 0.41 0.00 0.00 173.24 173.77 1x5x s TYR 42 N -0.84 1.02 -0.30 2.43 1.51 -1.17 -1.59 117.35 118.41 1x5x s TYR 42 Ca 0.13 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.79 1x5x s TYR 42 Cb -0.10 -0.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1x5x s TYR 42 CO 0.03 -0.12 0.33 0.42 -1.11 0.00 0.00 175.55 175.10 1x5x s ILE 43 N 0.25 5.20 -0.67 2.71 1.01 0.81 -4.21 121.20 126.30 1x5x s ILE 43 Ca -0.04 0.30 -0.23 0.00 0.00 0.00 0.00 60.65 60.67 1x5x s ILE 43 Cb -0.10 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.74 1x5x s ILE 43 CO 0.01 0.10 1.02 -0.22 0.00 0.00 0.00 174.94 175.85 1x5x s LEU 44 N 1.98 4.15 0.39 2.97 2.96 -1.25 -2.41 118.68 127.47 1x5x s LEU 44 Ca 0.12 -0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 1x5x s LEU 44 Cb -0.16 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1x5x s LEU 44 CO 0.11 -1.52 0.61 -1.61 -1.32 0.00 0.00 176.35 172.62 1x5x s GLU 45 N 4.38 3.47 -0.28 1.98 8.01 -0.98 -2.93 118.70 132.35 1x5x s GLU 45 Ca 0.25 -0.22 -0.20 0.00 0.01 0.00 0.00 54.97 54.81 1x5x s GLU 45 Cb -0.15 -2.59 0.08 0.00 -4.31 0.00 0.00 34.13 27.16 1x5x s GLU 45 CO 0.11 0.04 0.72 1.41 0.01 0.00 0.00 175.26 177.54 1x5x s MET 46 N -4.43 0.75 -0.09 1.61 1.75 -1.21 -2.36 119.30 115.31 1x5x s MET 46 Ca 0.42 1.11 -0.12 0.00 -1.25 0.00 0.00 55.69 55.85 1x5x s MET 46 Cb -0.10 0.25 0.03 0.00 2.84 0.00 0.00 34.83 37.85 1x5x s MET 46 CO 0.38 -0.13 0.31 -1.21 -0.65 0.00 0.00 175.02 173.73 1x5x s GLU 47 N 1.10 0.46 -0.34 4.11 0.41 -0.76 -3.84 118.70 119.85 1x5x s GLU 47 Ca -0.06 0.25 -0.20 0.00 -0.41 0.00 0.00 54.97 54.56 1x5x s GLU 47 Cb -0.05 0.22 -0.00 0.00 -1.78 0.00 0.00 34.13 32.51 1x5x s GLU 47 CO -0.11 -0.08 0.62 -2.00 -0.49 0.00 0.00 175.26 173.19 1x5x s GLU 48 N -0.28 3.74 0.48 1.61 2.12 -1.26 -3.04 118.70 122.06 1x5x s GLU 48 Ca -0.04 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1x5x s GLU 48 Cb -0.03 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.57 1x5x s GLU 48 CO 0.01 -0.67 0.00 -0.85 -0.54 0.00 0.00 175.26 173.21 1x5x n GLU 49 N 5.95 0.00 -2.01 4.30 0.28 -1.26 -4.52 120.64 123.38 1x5x n GLU 49 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.59 1x5x n GLU 49 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 1x5x n GLU 49 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1x5x s THR 50 N 0.00 2.53 -0.28 3.84 -1.32 -1.26 -5.02 115.64 114.13 1x5x s THR 50 Ca 0.00 0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 60.76 1x5x s THR 50 Cb 0.00 -3.26 0.10 0.00 -1.51 0.00 0.00 72.50 67.83 1x5x s THR 50 CO 0.00 0.05 0.78 -0.55 -2.21 0.00 0.00 174.62 172.69 1x5x s SER 51 N -0.80 -0.80 0.15 8.08 0.15 -1.26 -5.05 113.70 114.18 1x5x s SER 51 Ca 0.60 1.32 -0.16 0.00 0.70 0.00 0.00 55.95 58.41 1x5x s SER 51 Cb -0.38 1.33 0.02 0.00 -1.71 0.00 0.00 66.02 65.28 1x5x s SER 51 CO 0.48 -0.21 1.81 1.23 1.20 0.00 0.00 173.24 177.75 1x5x h GLY 52 N 6.34 0.60 -0.37 9.45 0.00 -1.98 -2.97 103.07 114.13 1x5x h GLY 52 Ca -0.29 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 46.89 1x5x h GLY 52 CO 0.15 0.23 -0.42 -0.97 0.00 0.00 0.00 176.54 175.53 1x5x h TYR 53 N 0.57 -1.21 0.00 5.60 0.05 -2.02 -3.48 116.97 116.48 1x5x h TYR 53 Ca 0.15 0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.01 1x5x h TYR 53 Cb -0.05 0.60 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1x5x h TYR 53 CO -0.04 -0.43 0.00 0.41 -1.05 0.00 0.00 178.16 177.05 1x5x n GLY 54 N -1.41 2.19 3.66 3.88 0.00 -1.12 -4.97 105.19 107.40 1x5x n GLY 54 Ca 0.01 -1.95 -0.50 0.00 0.00 0.00 0.00 46.02 43.58 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 1.43 2.06 -4.08 1.61 3.72 -1.26 -4.97 117.46 115.97 1x5x n PHE 55 Ca 0.00 0.34 -0.32 0.00 -0.05 0.00 0.00 57.45 57.42 1x5x n PHE 55 Cb 0.00 -2.50 -0.07 0.00 -0.94 0.00 0.00 39.48 35.97 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 1.87 2.98 0.18 -1.08 -0.14 -1.25 -4.92 119.74 117.38 1x5x s LYS 56 Ca 0.86 -0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.59 1x5x s LYS 56 Cb -0.81 -2.79 -0.08 0.00 -1.68 0.00 0.00 37.83 32.47 1x5x s LYS 56 CO 0.47 0.61 1.12 -1.25 -0.76 0.00 0.00 175.35 175.54 1x5x s PRO 57 N -2.05 4.57 -0.05 -1.68 0.04 -1.26 -3.34 135.00 131.24 1x5x s PRO 57 Ca 0.26 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x5x s PRO 57 Cb -0.12 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1x5x s PRO 57 CO 0.18 0.04 -0.04 1.63 0.04 0.00 0.00 177.00 178.85 1x5x n LYS 58 N 2.42 0.25 -4.47 4.56 5.02 -1.15 -5.03 118.16 119.76 1x5x n LYS 58 Ca 0.03 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 1x5x n LYS 58 Cb 0.46 -1.10 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.10 2.28 -0.41 2.13 5.04 -1.23 -5.01 117.35 118.05 1x5x s TYR 59 Ca -0.06 -0.34 0.01 0.00 -2.44 0.00 0.00 57.07 54.23 1x5x s TYR 59 Cb 0.02 -1.00 0.19 0.00 0.35 0.00 0.00 41.96 41.52 1x5x s TYR 59 CO 0.11 0.71 0.85 0.16 -1.34 0.00 0.00 175.55 176.04 1x5x s ASP 60 N -3.51 -0.99 0.26 4.32 1.47 -1.26 -3.78 116.67 113.17 1x5x s ASP 60 Ca 0.30 -0.86 -0.02 0.00 1.18 0.00 0.00 52.55 53.15 1x5x s ASP 60 Cb -0.05 1.29 0.01 0.00 -0.34 0.00 0.00 42.92 43.83 1x5x s ASP 60 CO 0.15 -0.07 0.37 0.61 0.68 0.00 0.00 175.17 176.91 1x5x n GLY 61 N 3.41 2.34 2.47 2.12 0.00 -1.26 -5.06 105.19 109.21 1x5x n GLY 61 Ca 0.12 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1x5x n GLY 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5x n GLU 62 N -0.43 3.04 -4.38 1.61 0.28 -1.26 -3.02 120.64 116.48 1x5x n GLU 62 Ca 0.00 -3.77 -0.27 0.00 -0.16 0.00 0.00 57.16 52.96 1x5x n GLU 62 Cb 0.43 -2.27 -0.11 0.00 1.43 0.00 0.00 31.44 30.92 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 -2.30 3.66 -0.44 -1.84 1.01 -1.26 -4.85 116.67 110.65 1x5x s ASP 63 Ca 0.55 -0.77 0.04 0.00 0.71 0.00 0.00 52.55 53.08 1x5x s ASP 63 Cb 0.45 -0.38 0.64 0.00 1.01 0.00 0.00 42.92 44.64 1x5x s ASP 63 CO -0.15 0.12 1.86 0.18 0.21 0.00 0.00 175.17 177.39 1x5x n LEU 64 N 0.26 6.43 -3.62 1.23 4.77 -1.26 -4.70 117.00 120.11 1x5x n LEU 64 Ca -0.12 -3.66 -0.09 0.00 -0.03 0.00 0.00 56.01 52.11 1x5x n LEU 64 Cb 0.56 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1x5x n LEU 64 CO 0.30 1.09 0.79 0.00 -1.33 0.00 0.00 177.39 178.25 1x5x s ALA 65 N -3.31 -1.98 0.01 -1.18 0.00 -1.26 -3.09 121.76 110.95 1x5x s ALA 65 Ca 0.56 1.76 -0.24 0.00 0.00 0.00 0.00 51.96 54.04 1x5x s ALA 65 Cb 0.47 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 22.44 1x5x s ALA 65 CO 0.09 -0.25 0.53 -0.47 0.00 0.00 0.00 175.76 175.66 1x5x s TYR 66 N -0.29 -0.45 -0.30 0.00 5.04 -1.25 -5.05 117.35 115.05 1x5x s TYR 66 Ca 0.02 0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 55.25 1x5x s TYR 66 Cb -0.03 0.32 0.05 0.00 0.35 0.00 0.00 41.96 42.65 1x5x s TYR 66 CO -0.04 -0.59 0.01 0.99 -1.34 0.00 0.00 175.55 174.57 1x5x s THR 67 N -1.93 3.06 0.31 4.34 2.01 -1.26 -2.09 115.64 120.08 1x5x s THR 67 Ca -0.08 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.30 1x5x s THR 67 Cb -0.01 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.66 1x5x s THR 67 CO 0.02 -0.10 1.02 -0.69 -0.69 0.00 0.00 174.62 174.19 1x5x s VAL 68 N 1.27 3.80 0.40 3.82 1.01 -0.47 -4.89 120.40 125.34 1x5x s VAL 68 Ca -0.05 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.62 1x5x s VAL 68 Cb -0.20 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1x5x s VAL 68 CO -0.01 0.27 0.10 -0.54 0.00 0.00 0.00 175.10 174.92 1x5x s LYS 69 N -1.75 1.89 -0.67 2.72 1.02 -1.26 -1.47 119.74 120.22 1x5x s LYS 69 Ca 0.48 -2.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.32 1x5x s LYS 69 Cb -0.26 -0.74 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 1x5x s LYS 69 CO 0.33 -0.41 0.63 0.09 -0.92 0.00 0.00 175.35 175.06 1x5x n ASN 70 N -1.17 -6.83 -2.79 2.83 3.02 -1.11 -4.92 115.26 104.29 1x5x n ASN 70 Ca -0.06 -0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.22 1x5x n ASN 70 Cb 0.65 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.12 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 -1.84 0.00 -4.13 3.41 4.77 -1.18 -5.00 117.00 113.02 1x5x n LEU 71 Ca -0.01 -1.46 -0.22 0.00 -0.03 0.00 0.00 56.01 54.29 1x5x n LEU 71 Cb 0.51 0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.85 1x5x n LEU 71 CO 0.46 -0.22 -0.48 -0.13 -1.33 0.00 0.00 177.39 175.69 1x5x s ARG 72 N -2.76 1.11 0.56 3.23 0.52 -1.26 -4.71 118.95 115.64 1x5x s ARG 72 Ca 0.07 -0.62 -0.21 0.00 -0.52 0.00 0.00 55.73 54.45 1x5x s ARG 72 Cb 0.00 -1.10 -0.05 0.00 0.52 0.00 0.00 34.95 34.32 1x5x s ARG 72 CO 0.05 0.29 1.23 2.89 0.02 0.00 0.00 175.30 179.78 1x5x n ARG 73 N 2.42 1.41 -3.51 3.54 0.00 -1.24 -3.62 116.66 115.66 1x5x n ARG 73 Ca -0.16 0.53 -0.37 0.00 -0.00 0.00 0.00 57.85 57.85 1x5x n ARG 73 Cb 0.55 -2.43 0.03 0.00 -0.00 0.00 0.00 32.46 30.61 1x5x n ARG 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1x5x n SER 74 N -0.93 -5.22 -3.79 2.89 7.64 -1.21 -4.98 113.62 108.02 1x5x n SER 74 Ca 0.12 -0.29 -0.13 0.00 1.01 0.00 0.00 58.87 59.58 1x5x n SER 74 Cb 0.45 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.00 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x5x s THR 75 N -1.66 0.05 -0.12 0.44 2.01 -1.24 -4.96 115.64 110.16 1x5x s THR 75 Ca 0.32 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1x5x s THR 75 Cb -0.03 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1x5x s THR 75 CO 0.86 -0.21 0.09 -1.59 -0.69 0.00 0.00 174.62 173.07 1x5x s LYS 76 N -0.91 3.39 -0.03 4.92 -2.85 -1.26 -3.23 119.74 119.78 1x5x s LYS 76 Ca -0.10 -0.25 -0.08 0.00 -1.00 0.00 0.00 55.97 54.54 1x5x s LYS 76 Cb -0.05 -3.08 0.01 0.00 -2.06 0.00 0.00 37.83 32.66 1x5x s LYS 76 CO 0.02 0.67 0.17 0.71 0.10 0.00 0.00 175.35 177.03 1x5x s TYR 77 N -0.75 -0.07 -0.11 1.78 2.02 -1.09 -4.92 117.35 114.21 1x5x s TYR 77 Ca 0.13 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.92 1x5x s TYR 77 Cb -0.12 0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1x5x s TYR 77 CO 0.03 -0.23 0.03 0.15 -1.57 0.00 0.00 175.55 173.96 1x5x s LYS 78 N -0.84 3.29 0.03 -0.62 1.02 -1.17 -2.17 119.74 119.28 1x5x s LYS 78 Ca -0.09 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1x5x s LYS 78 Cb -0.05 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1x5x s LYS 78 CO 0.01 0.60 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.88 1x5x s PHE 79 N -0.59 0.95 -0.03 3.18 0.08 0.13 -1.83 117.98 119.88 1x5x s PHE 79 Ca 0.10 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1x5x s PHE 79 Cb -0.12 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.78 1x5x s PHE 79 CO 0.02 -0.00 -0.00 -1.59 -0.10 0.00 0.00 175.22 173.54 1x5x s LYS 80 N -0.97 0.32 -0.19 0.44 -2.85 -1.00 -0.20 119.74 115.29 1x5x s LYS 80 Ca -0.01 0.05 -0.19 0.00 -1.00 0.00 0.00 55.97 54.82 1x5x s LYS 80 Cb -0.07 -0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 35.20 1x5x s LYS 80 CO 0.01 -0.11 0.55 0.54 0.10 0.00 0.00 175.35 176.44 1x5x s VAL 81 N 0.90 5.08 -0.18 1.79 0.11 -1.26 -2.33 120.40 124.51 1x5x s VAL 81 Ca -0.09 1.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1x5x s VAL 81 Cb -0.13 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 30.86 1x5x s VAL 81 CO -0.01 0.17 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.12 1x5x s ILE 82 N 1.66 2.30 -0.26 7.04 1.01 -1.01 -2.29 121.20 129.64 1x5x s ILE 82 Ca 0.26 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1x5x s ILE 82 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1x5x s ILE 82 CO 0.10 0.52 0.34 0.00 0.00 0.00 0.00 174.94 175.90 1x5x s ALA 83 N 1.26 3.56 0.20 9.38 0.00 -1.26 -0.14 121.76 134.76 1x5x s ALA 83 Ca 0.04 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1x5x s ALA 83 Cb -0.14 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 1x5x s ALA 83 CO -0.10 -0.56 -0.07 1.52 0.00 0.00 0.00 175.76 176.55 1x5x s TYR 84 N 1.86 1.53 0.11 0.00 -0.85 -0.62 -2.64 117.35 116.73 1x5x s TYR 84 Ca 0.14 -0.77 0.09 0.00 -0.52 0.00 0.00 57.07 56.01 1x5x s TYR 84 Cb -0.15 -0.82 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 1x5x s TYR 84 CO 0.09 0.11 -0.23 -0.80 -1.52 0.00 0.00 175.55 173.21 1x5x s ASN 85 N -3.28 2.77 0.61 -0.18 0.01 0.55 -3.57 114.94 111.86 1x5x s ASN 85 Ca 0.23 -0.70 0.27 0.00 -0.71 0.00 0.00 52.86 51.95 1x5x s ASN 85 Cb 0.03 -0.17 1.20 0.00 0.41 0.00 0.00 41.25 42.72 1x5x s ASN 85 CO 0.06 0.10 1.61 -1.28 -1.51 0.00 0.00 177.10 176.08 1x5x h SER 86 N 4.04 0.00 0.07 -1.22 0.87 -1.97 0.60 113.55 115.93 1x5x h SER 86 Ca -0.48 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 1x5x h SER 86 Cb 1.18 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1x5x h SER 86 CO 0.39 0.00 -0.45 -0.33 -0.53 0.00 0.00 176.83 175.91 1x5x h GLU 87 N 0.00 0.14 -2.32 2.24 5.08 -2.03 -3.49 114.58 114.20 1x5x h GLU 87 Ca 0.30 -0.24 0.18 0.00 -1.00 0.00 0.00 59.36 58.61 1x5x h GLU 87 Cb 1.89 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 31.15 1x5x h GLU 87 CO -0.00 1.11 0.49 0.20 -1.00 0.00 0.00 179.01 179.81 1x5x s GLY 88 N -4.36 -0.23 0.36 -3.84 0.00 0.21 -5.13 107.32 94.33 1x5x s GLY 88 Ca -0.17 0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.75 1x5x s GLY 88 CO 0.75 0.02 0.40 -1.59 0.00 0.00 0.00 173.10 172.68 1x5x s LYS 89 N -3.25 2.82 0.00 2.90 -2.85 -1.26 0.21 119.74 118.30 1x5x s LYS 89 Ca 0.12 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 1x5x s LYS 89 Cb -0.01 -2.60 0.00 0.00 -2.06 0.00 0.00 37.83 33.16 1x5x s LYS 89 CO 0.02 -0.02 0.00 0.43 0.10 0.00 0.00 175.35 175.88 1x5x n SER 90 N -1.55 1.75 -4.85 0.03 7.64 -1.08 -4.50 113.62 111.07 1x5x n SER 90 Ca 0.01 -0.36 -0.32 0.00 1.01 0.00 0.00 58.87 59.21 1x5x n SER 90 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.13 6.70 0.75 6.43 4.22 -1.26 -4.87 114.94 127.03 1x5x s ASN 91 Ca 0.00 1.44 -0.11 0.00 -2.14 0.00 0.00 52.86 52.05 1x5x s ASN 91 Cb 0.00 -2.45 0.04 0.00 1.28 0.00 0.00 41.25 40.12 1x5x s ASN 91 CO 0.00 -0.42 1.08 -2.16 -2.04 0.00 0.00 177.10 173.56 1x5x s PRO 92 N -3.62 2.50 0.52 3.55 0.04 -1.26 -4.52 135.00 132.20 1x5x s PRO 92 Ca 0.57 0.79 0.09 0.00 0.04 0.00 0.00 61.00 62.49 1x5x s PRO 92 Cb -0.10 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1x5x s PRO 92 CO 0.25 -1.37 0.71 0.45 0.04 0.00 0.00 177.00 177.08 1x5x s SER 93 N -3.85 5.30 0.13 6.66 0.15 -0.97 -4.92 113.70 116.20 1x5x s SER 93 Ca 0.59 -0.70 -0.34 0.00 0.70 0.00 0.00 55.95 56.21 1x5x s SER 93 Cb -0.14 -0.05 -0.14 0.00 -1.71 0.00 0.00 66.02 63.98 1x5x s SER 93 CO 0.55 -1.12 1.61 -0.62 1.20 0.00 0.00 173.24 174.85 1x5x n GLU 94 N -2.09 2.14 -2.58 5.44 -0.58 -1.26 -4.63 120.64 117.07 1x5x n GLU 94 Ca 0.13 0.77 -0.42 0.00 -0.42 0.00 0.00 57.16 57.22 1x5x n GLU 94 Cb 0.61 -2.55 -0.03 0.00 -0.57 0.00 0.00 31.44 28.90 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 1.27 4.46 0.33 2.62 1.01 -1.26 -4.64 120.40 124.19 1x5x s VAL 95 Ca 0.80 1.79 0.09 0.00 0.00 0.00 0.00 61.98 64.66 1x5x s VAL 95 Cb -0.68 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.50 1x5x s VAL 95 CO 0.40 0.15 0.06 0.68 0.00 0.00 0.00 175.10 176.39 1x5x s VAL 96 N 0.93 2.91 0.18 2.92 -7.23 0.71 -4.90 120.40 115.92 1x5x s VAL 96 Ca 0.54 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1x5x s VAL 96 Cb -0.25 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1x5x s VAL 96 CO 0.29 -0.22 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.08 1x5x s GLU 97 N -3.76 1.30 0.10 4.82 0.41 -1.26 0.22 118.70 120.54 1x5x s GLU 97 Ca 0.35 -1.48 -0.17 0.00 -0.41 0.00 0.00 54.97 53.26 1x5x s GLU 97 Cb -0.02 -1.25 0.04 0.00 -1.78 0.00 0.00 34.13 31.12 1x5x s GLU 97 CO 0.21 0.24 0.42 -0.06 -0.49 0.00 0.00 175.26 175.57 1x5x s PHE 98 N -2.42 -0.25 0.16 1.61 0.08 -0.92 -5.00 117.98 111.24 1x5x s PHE 98 Ca 0.18 0.02 0.10 0.00 0.12 0.00 0.00 56.93 57.36 1x5x s PHE 98 Cb -0.04 0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 42.64 1x5x s PHE 98 CO 0.07 -0.68 -0.23 0.99 -0.10 0.00 0.00 175.22 175.27 1x5x s THR 99 N -3.41 2.14 0.80 0.64 2.01 -1.26 -2.66 115.64 113.89 1x5x s THR 99 Ca 0.00 -1.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.05 1x5x s THR 99 Cb 0.01 -1.96 0.14 0.00 0.01 0.00 0.00 72.50 70.70 1x5x s THR 99 CO -0.09 -0.10 1.11 0.42 -0.69 0.00 0.00 174.62 175.27 1x5x s THR 100 N -1.53 2.13 0.72 -0.82 -4.23 -1.20 -4.78 115.64 105.93 1x5x s THR 100 Ca 0.16 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 1x5x s THR 100 Cb -0.08 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1x5x s THR 100 CO 0.08 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.21 1x5x s PRO 102 N -5.32 4.58 0.11 0.00 0.04 -1.26 -3.30 135.00 129.85 1x5x s PRO 102 Ca 0.59 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1x5x s PRO 102 Cb -0.11 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1x5x s PRO 102 CO 0.47 0.18 0.00 -3.47 0.04 0.00 0.00 177.00 174.23 1x5x n ASP 103 N 1.01 0.43 -1.12 6.66 2.03 -1.26 -4.98 116.55 119.31 1x5x n ASP 103 Ca -0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1x5x n ASP 103 Cb 0.46 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1x5x n ASP 103 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x5x n SER 104 N -3.13 -4.71 -4.55 1.67 2.88 -1.26 -4.97 113.62 99.55 1x5x n SER 104 Ca 0.00 0.54 -0.38 0.00 -1.33 0.00 0.00 58.87 57.70 1x5x n SER 104 Cb 0.00 -2.58 -0.11 0.00 -0.75 0.00 0.00 64.21 60.77 1x5x n SER 104 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5x s GLY 105 N -0.20 1.91 0.75 0.46 0.00 -1.26 -5.08 107.32 103.90 1x5x s GLY 105 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 1x5x s GLY 105 CO 0.00 0.66 1.08 2.56 0.00 0.00 0.00 173.10 177.40 1x5x s PRO 106 N 1.73 2.50 -0.41 2.90 0.04 -1.26 -4.93 135.00 135.56 1x5x s PRO 106 Ca 0.07 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 1x5x s PRO 106 Cb -0.16 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1x5x s PRO 106 CO 0.10 -1.37 1.89 -1.12 0.04 0.00 0.00 177.00 176.54 1x5x s SER 107 N -3.85 5.58 -0.44 6.66 0.01 -1.26 -4.81 113.70 115.58 1x5x s SER 107 Ca 0.59 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.93 1x5x s SER 107 Cb -0.14 -2.52 0.20 0.00 0.21 0.00 0.00 66.02 63.77 1x5x s SER 107 CO 0.55 -2.00 0.90 -0.24 0.41 0.00 0.00 173.24 172.85 1x5x n SER 108 N 11.50 -2.59 0.00 2.44 2.88 -1.26 -5.37 113.62 121.23 1x5x n SER 108 Ca 0.24 -2.10 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1x5x n SER 108 Cb 0.49 1.32 0.00 0.00 -0.75 0.00 0.00 64.21 65.27 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42