#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5o n SER 2 N 0.00 0.82 -4.13 1.61 3.41 -1.26 -5.07 113.62 109.00 2e5o n SER 2 Ca 0.00 0.01 -0.16 0.00 -0.26 0.00 0.00 58.87 58.46 2e5o n SER 2 Cb 0.00 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 63.80 2e5o n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e5o s SER 3 N -4.94 1.33 0.00 4.04 1.04 -1.26 -4.95 113.70 108.97 2e5o s SER 3 Ca -0.02 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2e5o s SER 3 Cb 0.01 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2e5o s SER 3 CO 0.03 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2e5o n GLY 4 N 1.33 2.28 3.38 7.32 0.00 -1.26 -5.17 105.19 113.07 2e5o n GLY 4 Ca -0.22 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 2e5o n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5o s SER 5 N 0.00 3.22 -0.10 1.61 1.04 -1.26 -5.03 113.70 113.18 2e5o s SER 5 Ca 0.00 -0.74 0.14 0.00 0.48 0.00 0.00 55.95 55.83 2e5o s SER 5 Cb 0.00 -0.21 0.22 0.00 0.10 0.00 0.00 66.02 66.14 2e5o s SER 5 CO 0.00 0.16 1.12 -1.20 0.98 0.00 0.00 173.24 174.30 2e5o n SER 6 N 0.93 1.66 -2.33 7.02 7.64 -1.26 -5.01 113.62 122.28 2e5o n SER 6 Ca -0.18 -2.83 -0.06 0.00 1.01 0.00 0.00 58.87 56.81 2e5o n SER 6 Cb 0.53 -0.37 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 2e5o n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5o n GLY 7 N -1.00 -0.20 3.80 0.23 0.00 -1.26 -4.71 105.19 102.05 2e5o n GLY 7 Ca 0.12 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2e5o n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2e5o s TRP 8 N -3.16 2.89 -0.00 1.61 0.52 -1.26 -3.81 118.94 115.72 2e5o s TRP 8 Ca 0.19 1.29 0.00 0.00 0.02 0.00 0.00 56.10 57.61 2e5o s TRP 8 Cb -0.02 -3.02 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 2e5o s TRP 8 CO 0.36 -1.60 -0.01 0.00 0.02 0.00 0.00 176.95 175.71 2e5o s LEU 10 N 0.09 2.76 0.02 0.00 2.96 0.12 -3.31 118.68 121.32 2e5o s LEU 10 Ca -0.01 -1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 52.46 2e5o s LEU 10 Cb -0.02 -1.33 -0.06 0.00 0.50 0.00 0.00 46.19 45.28 2e5o s LEU 10 CO -0.00 -0.18 1.40 -0.94 -1.32 0.00 0.00 176.35 175.30 2e5o s SER 11 N 1.29 6.85 0.27 3.68 1.04 -1.26 -3.09 113.70 122.49 2e5o s SER 11 Ca -0.05 2.14 0.08 0.00 0.48 0.00 0.00 55.95 58.60 2e5o s SER 11 Cb -0.18 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 2e5o s SER 11 CO -0.07 -0.71 0.15 -0.69 0.98 0.00 0.00 173.24 172.91 2e5o s VAL 12 N 2.22 4.05 -0.42 5.02 1.01 0.12 -4.71 120.40 127.69 2e5o s VAL 12 Ca 0.64 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 2e5o s VAL 12 Cb -0.32 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2e5o s VAL 12 CO 0.27 -0.33 0.66 -1.00 0.00 0.00 0.00 175.10 174.70 2e5o s HIS 13 N -2.21 3.08 0.92 5.22 3.76 -1.26 -1.01 115.29 123.79 2e5o s HIS 13 Ca 0.33 0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.21 2e5o s HIS 13 Cb -0.07 -3.34 0.13 0.00 1.11 0.00 0.00 32.58 30.41 2e5o s HIS 13 CO 0.24 -0.83 1.04 1.04 -0.85 0.00 0.00 174.74 175.38 2e5o n GLN 14 N 6.27 -0.43 0.12 1.40 6.02 -1.26 -2.99 117.38 126.51 2e5o n GLN 14 Ca -0.01 -0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 2e5o n GLN 14 Cb 0.48 -2.30 0.23 0.00 1.02 0.00 0.00 30.24 29.67 2e5o n GLN 14 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2e5o h PRO 15 N -1.84 0.13 -0.30 -1.09 0.13 -1.93 -3.39 132.00 123.71 2e5o h PRO 15 Ca -0.43 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2e5o h PRO 15 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2e5o h PRO 15 CO 0.40 0.58 -0.12 0.91 -0.23 0.00 0.00 178.00 179.54 2e5o n TRP 16 N -3.97 -0.00 -0.34 1.56 8.01 -1.17 0.11 117.44 121.64 2e5o n TRP 16 Ca -0.02 0.37 -0.07 0.00 -1.31 0.00 0.00 57.50 56.47 2e5o n TRP 16 Cb 0.51 -0.60 -0.06 0.00 -2.01 0.00 0.00 31.31 29.15 2e5o n TRP 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2e5o n ALA 17 N -3.84 -0.44 -0.20 6.99 0.00 -1.16 0.54 120.51 122.40 2e5o n ALA 17 Ca 0.03 0.73 -0.09 0.00 0.00 0.00 0.00 53.44 54.10 2e5o n ALA 17 Cb 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.42 2e5o n ALA 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2e5o h SER 18 N 0.00 0.99 -0.51 0.00 0.02 0.48 -2.57 113.55 111.95 2e5o h SER 18 Ca 0.16 -0.30 0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2e5o h SER 18 Cb 0.37 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2e5o h SER 18 CO -0.79 1.05 0.52 -0.07 -1.14 0.00 0.00 176.83 176.40 2e5o h LEU 19 N 0.90 0.00 0.03 5.07 3.38 0.64 0.10 115.31 125.43 2e5o h LEU 19 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2e5o h LEU 19 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2e5o h LEU 19 CO 0.03 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.47 2e5o h LEU 20 N 0.00 -0.03 -1.41 1.67 4.07 -0.64 0.46 115.31 119.43 2e5o h LEU 20 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2e5o h LEU 20 Cb 1.27 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.02 2e5o h LEU 20 CO -0.00 -0.01 0.04 1.33 -1.08 0.00 0.00 178.44 178.73 2e5o n VAL 21 N -2.21 0.94 0.14 1.22 0.24 -1.02 -1.20 118.33 116.45 2e5o n VAL 21 Ca -0.00 0.75 -0.24 0.00 -2.04 0.00 0.00 64.34 62.80 2e5o n VAL 21 Cb 0.02 -1.75 -0.16 0.00 -1.47 0.00 0.00 33.84 30.48 2e5o n VAL 21 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2e5o h ARG 22 N 0.00 0.52 0.00 7.34 2.47 -0.83 -2.98 114.38 120.90 2e5o h ARG 22 Ca 0.00 -0.89 0.00 0.00 -1.26 0.00 0.00 59.98 57.83 2e5o h ARG 22 Cb 0.09 0.33 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2e5o h ARG 22 CO 0.00 1.43 0.00 0.41 0.56 0.00 0.00 179.97 182.37 2e5o n GLY 23 N 1.70 1.14 0.11 0.04 0.00 -0.34 -4.94 105.19 102.90 2e5o n GLY 23 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 2e5o n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2e5o h ILE 24 N 0.00 0.85 -3.53 -0.61 5.03 -0.40 -3.45 117.51 115.40 2e5o h ILE 24 Ca 0.00 -2.22 -0.62 0.00 -0.12 0.00 0.00 64.86 61.90 2e5o h ILE 24 Cb 0.00 2.30 -0.12 0.00 -3.03 0.00 0.00 36.82 35.96 2e5o h ILE 24 CO 0.00 0.45 0.14 -0.75 -0.68 0.00 0.00 178.15 177.32 2e5o s LYS 25 N -2.41 3.92 0.00 2.37 2.47 0.38 -4.91 119.74 121.57 2e5o s LYS 25 Ca -0.27 0.32 0.21 0.00 -1.56 0.00 0.00 55.97 54.67 2e5o s LYS 25 Cb 0.06 -3.72 0.17 0.00 -1.46 0.00 0.00 37.83 32.88 2e5o s LYS 25 CO 0.64 -0.55 1.16 -2.13 0.16 0.00 0.00 175.35 174.63 2e5o n ARG 26 N 5.85 1.90 -3.84 4.03 0.63 -1.26 -4.41 116.66 119.56 2e5o n ARG 26 Ca -0.01 -1.75 -0.10 0.00 -0.92 0.00 0.00 57.85 55.06 2e5o n ARG 26 Cb 0.49 -1.40 -0.08 0.00 0.45 0.00 0.00 32.46 31.92 2e5o n ARG 26 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2e5o s VAL 27 N -1.73 0.11 0.16 5.15 -7.23 -1.26 -1.36 120.40 114.24 2e5o s VAL 27 Ca 0.25 -0.88 0.10 0.00 -1.81 0.00 0.00 61.98 59.63 2e5o s VAL 27 Cb 0.17 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2e5o s VAL 27 CO 0.26 -0.49 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.65 2e5o s GLU 28 N -2.60 1.35 -0.13 4.82 -6.30 0.03 -4.91 118.70 110.96 2e5o s GLU 28 Ca -0.05 -1.40 -0.01 0.00 -2.50 0.00 0.00 54.97 51.01 2e5o s GLU 28 Cb -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 34.13 32.50 2e5o s GLU 28 CO -0.04 0.35 -0.11 0.20 0.02 0.00 0.00 175.26 175.68 2e5o s GLY 29 N -2.46 1.59 -0.01 -1.50 0.00 -1.26 0.00 107.32 103.67 2e5o s GLY 29 Ca 0.16 -0.87 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 2e5o s GLY 29 CO 0.07 -0.19 0.29 0.50 0.00 0.00 0.00 173.10 173.78 2e5o s ARG 30 N 0.29 0.64 -0.07 2.90 1.81 -1.09 -4.90 118.95 118.54 2e5o s ARG 30 Ca -0.08 -0.20 0.04 0.00 -1.72 0.00 0.00 55.73 53.77 2e5o s ARG 30 Cb -0.15 0.28 0.22 0.00 -0.45 0.00 0.00 34.95 34.85 2e5o s ARG 30 CO 0.05 -0.17 0.85 -1.13 -0.68 0.00 0.00 175.30 174.21 2e5o n SER 31 N 1.34 2.30 -4.07 0.23 3.41 -1.26 -2.20 113.62 113.36 2e5o n SER 31 Ca -0.21 -2.25 -0.10 0.00 -0.26 0.00 0.00 58.87 56.04 2e5o n SER 31 Cb 0.56 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2e5o n SER 31 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2e5o s TRP 32 N -1.45 0.69 -0.05 7.33 1.48 -1.26 -4.92 118.94 120.76 2e5o s TRP 32 Ca 0.15 -1.01 0.00 0.00 -1.06 0.00 0.00 56.10 54.18 2e5o s TRP 32 Cb 0.11 -0.22 -0.03 0.00 -1.16 0.00 0.00 33.47 32.17 2e5o s TRP 32 CO 0.04 -0.72 -0.03 -0.47 -4.06 0.00 0.00 176.95 171.71 2e5o s TYR 33 N -4.05 3.03 -0.26 1.66 6.14 -1.26 -4.53 117.35 118.08 2e5o s TYR 33 Ca 0.26 0.08 -0.02 0.00 0.64 0.00 0.00 57.07 58.03 2e5o s TYR 33 Cb 0.04 -1.72 0.09 0.00 0.42 0.00 0.00 41.96 40.79 2e5o s TYR 33 CO 0.06 0.41 0.08 -0.08 0.64 0.00 0.00 175.55 176.66 2e5o s THR 34 N -0.91 0.51 -2.00 4.34 -1.32 -1.26 -4.98 115.64 110.02 2e5o s THR 34 Ca 0.15 -0.94 0.12 0.00 -1.21 0.00 0.00 61.69 59.80 2e5o s THR 34 Cb -0.11 -1.27 0.34 0.00 -1.51 0.00 0.00 72.50 69.95 2e5o s THR 34 CO 0.04 -0.53 1.14 -0.81 -2.21 0.00 0.00 174.62 172.25 2e5o n PRO 35 N 5.02 0.49 -1.64 7.08 -0.04 -1.26 -4.75 135.00 139.90 2e5o n PRO 35 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 2e5o n PRO 35 Cb 0.44 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2e5o n PRO 35 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2e5o s HIS 36 N -2.00 1.21 -0.20 0.54 5.65 -1.26 -4.95 115.29 114.28 2e5o s HIS 36 Ca 0.18 0.65 -0.03 0.00 0.25 0.00 0.00 55.06 56.11 2e5o s HIS 36 Cb 0.08 -3.91 -0.01 0.00 -1.18 0.00 0.00 32.58 27.56 2e5o s HIS 36 CO 0.14 -3.82 -0.05 1.03 -0.65 0.00 0.00 174.74 171.39 2e5o s ARG 37 N 6.49 3.43 0.00 2.88 1.81 -1.26 -4.83 118.95 127.48 2e5o s ARG 37 Ca 0.98 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 54.38 2e5o s ARG 37 Cb -0.30 -2.95 0.00 0.00 -0.45 0.00 0.00 34.95 31.25 2e5o s ARG 37 CO 0.34 -0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 2e5o n GLY 38 N 4.43 0.17 3.74 -3.53 0.00 -1.18 -4.94 105.19 103.87 2e5o n GLY 38 Ca -0.18 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 2e5o n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e5o s ARG 39 N 0.00 3.09 -0.15 1.61 3.52 -1.26 -1.01 118.95 124.75 2e5o s ARG 39 Ca 0.00 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.20 2e5o s ARG 39 Cb 0.00 -2.89 0.07 0.00 -1.56 0.00 0.00 34.95 30.57 2e5o s ARG 39 CO 0.00 0.71 0.19 -1.17 -0.81 0.00 0.00 175.30 174.22 2e5o s LEU 40 N -1.07 -0.05 0.13 -0.88 2.96 -0.36 -4.31 118.68 115.10 2e5o s LEU 40 Ca 0.15 -0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.75 2e5o s LEU 40 Cb -0.12 0.29 -0.07 0.00 0.50 0.00 0.00 46.19 46.79 2e5o s LEU 40 CO 0.05 -0.29 1.28 0.26 -1.32 0.00 0.00 176.35 176.33 2e5o s TRP 41 N 2.30 3.33 -0.21 5.38 0.52 0.75 -0.21 118.94 130.81 2e5o s TRP 41 Ca 0.04 1.19 -0.08 0.00 0.02 0.00 0.00 56.10 57.28 2e5o s TRP 41 Cb -0.14 -3.55 -0.04 0.00 -1.15 0.00 0.00 33.47 28.59 2e5o s TRP 41 CO -0.09 -1.75 0.09 0.42 0.02 0.00 0.00 176.95 175.64 2e5o s ILE 42 N 0.65 4.89 0.09 2.03 -1.09 0.21 0.16 121.20 128.15 2e5o s ILE 42 Ca 0.59 0.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.09 2e5o s ILE 42 Cb -0.34 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2e5o s ILE 42 CO 0.33 0.42 -0.18 0.00 -1.23 0.00 0.00 174.94 174.28 2e5o s ALA 43 N 0.69 1.52 -0.25 9.38 0.00 -1.18 -1.98 121.76 129.94 2e5o s ALA 43 Ca 0.05 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.61 2e5o s ALA 43 Cb -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2e5o s ALA 43 CO 0.02 0.27 0.91 0.00 0.00 0.00 0.00 175.76 176.96 2e5o s ALA 44 N -1.21 3.63 0.95 0.00 0.00 -0.94 0.11 121.76 124.31 2e5o s ALA 44 Ca 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 2e5o s ALA 44 Cb -0.10 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2e5o s ALA 44 CO 0.03 -1.04 0.30 0.25 0.00 0.00 0.00 175.76 175.30 2e5o n THR 45 N 5.36 0.00 0.96 0.00 -2.24 -0.18 0.56 114.28 118.75 2e5o n THR 45 Ca 0.08 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 2e5o n THR 45 Cb 0.47 -0.34 0.53 0.00 -2.10 0.00 0.00 70.33 68.89 2e5o n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5o n ALA 46 N -3.54 2.53 -1.79 6.98 0.00 -1.26 -1.65 120.51 121.79 2e5o n ALA 46 Ca -0.07 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 2e5o n ALA 46 Cb 0.21 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 2e5o n ALA 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2e5o s LYS 47 N -3.01 3.81 -0.14 0.00 2.20 -1.26 -4.86 119.74 116.48 2e5o s LYS 47 Ca 0.13 1.48 -0.03 0.00 -0.36 0.00 0.00 55.97 57.19 2e5o s LYS 47 Cb 0.18 -2.21 -0.03 0.00 -1.51 0.00 0.00 37.83 34.26 2e5o s LYS 47 CO 0.57 -0.45 -0.03 -1.59 -0.36 0.00 0.00 175.35 173.49 2e5o s LYS 48 N -3.02 3.49 0.08 4.03 0.00 -1.26 -4.62 119.74 118.44 2e5o s LYS 48 Ca 0.66 -0.49 -0.31 0.00 0.00 0.00 0.00 55.97 55.82 2e5o s LYS 48 Cb -0.20 -2.88 -0.07 0.00 0.00 0.00 0.00 37.83 34.68 2e5o s LYS 48 CO 0.24 0.36 1.39 -1.25 0.00 0.00 0.00 175.35 176.09 2e5o s PRO 49 N 0.04 4.31 0.71 1.78 0.04 -1.26 -4.98 135.00 135.64 2e5o s PRO 49 Ca 0.01 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2e5o s PRO 49 Cb -0.13 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.06 2e5o s PRO 49 CO 0.02 -0.47 1.07 -1.12 0.04 0.00 0.00 177.00 176.54 2e5o s SER 50 N 1.37 5.23 0.00 6.66 0.01 -1.26 -4.91 113.70 120.79 2e5o s SER 50 Ca 0.64 1.66 0.14 0.00 1.31 0.00 0.00 55.95 59.71 2e5o s SER 50 Cb -0.35 -2.50 0.66 0.00 0.21 0.00 0.00 66.02 64.04 2e5o s SER 50 CO 0.29 -1.55 1.43 -0.81 0.41 0.00 0.00 173.24 173.02 2e5o n PRO 51 N -3.17 0.08 -0.07 12.44 -0.04 -1.26 -2.37 135.00 140.61 2e5o n PRO 51 Ca 0.08 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 2e5o n PRO 51 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2e5o n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e5o n GLN 52 N -1.42 0.68 -0.16 0.54 1.13 -1.26 -3.58 117.38 113.31 2e5o n GLN 52 Ca 0.05 0.26 -0.11 0.00 -1.94 0.00 0.00 57.00 55.26 2e5o n GLN 52 Cb 0.15 -1.62 -0.00 0.00 0.11 0.00 0.00 30.24 28.87 2e5o n GLN 52 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2e5o h GLU 53 N -0.21 0.93 0.09 -1.09 3.07 -1.91 0.41 114.58 115.86 2e5o h GLU 53 Ca -0.50 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 57.98 2e5o h GLU 53 Cb 1.85 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.71 2e5o h GLU 53 CO -0.07 1.03 -0.04 0.28 -1.40 0.00 0.00 179.01 178.81 2e5o h VAL 54 N 0.78 1.06 -0.31 3.13 2.07 -1.68 0.39 116.25 121.69 2e5o h VAL 54 Ca 0.12 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2e5o h VAL 54 Cb 0.71 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2e5o h VAL 54 CO 0.05 0.14 0.10 -1.28 0.02 0.00 0.00 177.57 176.60 2e5o h SER 55 N -0.37 0.46 0.25 0.57 0.87 -1.61 0.03 113.55 113.74 2e5o h SER 55 Ca -0.01 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 2e5o h SER 55 Cb 0.31 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2e5o h SER 55 CO 0.02 0.54 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.42 2e5o h GLU 56 N 0.35 -0.32 -0.74 2.24 5.08 -0.91 -2.88 114.58 117.40 2e5o h GLU 56 Ca 0.10 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2e5o h GLU 56 Cb 0.25 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2e5o h GLU 56 CO -0.00 -0.04 0.41 -0.07 -1.00 0.00 0.00 179.01 178.31 2e5o h LEU 57 N -0.59 0.60 -0.44 1.33 3.38 -0.22 0.27 115.31 119.64 2e5o h LEU 57 Ca -0.03 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2e5o h LEU 57 Cb 0.43 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2e5o h LEU 57 CO 0.06 0.37 -0.07 1.56 0.09 0.00 0.00 178.44 180.44 2e5o h GLN 58 N 0.73 0.03 -0.04 1.13 4.20 -0.93 0.26 115.11 120.49 2e5o h GLN 58 Ca 0.34 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.85 2e5o h GLN 58 Cb 0.26 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2e5o h GLN 58 CO -0.21 0.02 -0.80 0.00 -0.67 0.00 0.00 178.83 177.17 2e5o h ALA 59 N 1.42 0.53 -0.11 3.87 0.00 -1.19 -2.21 119.26 121.58 2e5o h ALA 59 Ca 0.21 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2e5o h ALA 59 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2e5o h ALA 59 CO -0.42 0.80 0.06 1.15 0.00 0.00 0.00 179.25 180.84 2e5o h THR 60 N 0.23 1.08 -0.11 0.00 2.02 0.50 -2.82 112.91 113.82 2e5o h THR 60 Ca -0.04 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 2e5o h THR 60 Cb 1.40 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2e5o h THR 60 CO 0.13 0.08 -0.53 1.88 0.37 0.00 0.00 175.52 177.45 2e5o h TYR 61 N 0.09 0.40 -0.87 3.16 0.05 -0.59 -2.87 116.97 116.34 2e5o h TYR 61 Ca 0.04 -0.14 0.16 0.00 0.05 0.00 0.00 58.73 58.85 2e5o h TYR 61 Cb 0.07 -0.08 -0.07 0.00 1.01 0.00 0.00 36.73 37.66 2e5o h TYR 61 CO -0.05 0.78 0.57 0.00 -1.05 0.00 0.00 178.16 178.41 2e5o h ARG 62 N 0.25 0.54 0.00 4.88 3.08 -1.15 0.57 114.38 122.55 2e5o h ARG 62 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2e5o h ARG 62 Cb 1.02 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2e5o h ARG 62 CO 0.09 0.36 -0.60 1.28 -1.07 0.00 0.00 179.97 180.03 2e5o n LEU 63 N -4.54 0.59 -0.01 3.04 4.77 -1.11 0.80 117.00 120.53 2e5o n LEU 63 Ca 0.17 0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 56.21 2e5o n LEU 63 Cb 0.54 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2e5o n LEU 63 CO 0.30 0.03 -0.50 0.18 -1.33 0.00 0.00 177.39 176.07 2e5o n LEU 64 N -1.84 0.83 0.00 2.23 4.77 0.94 -4.56 117.00 119.37 2e5o n LEU 64 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2e5o n LEU 64 Cb 0.40 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2e5o n LEU 64 CO 0.36 0.34 -0.43 0.54 -1.33 0.00 0.00 177.39 176.87 2e5o n ARG 65 N -2.99 3.18 0.00 3.23 5.12 0.16 -5.08 116.66 120.28 2e5o n ARG 65 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2e5o n ARG 65 Cb 1.01 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 31.38 2e5o n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2e5o n GLY 66 N 2.59 4.10 0.29 -0.13 0.00 0.24 -4.89 105.19 107.39 2e5o n GLY 66 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.24 2e5o n GLY 66 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2e5o h LYS 67 N 0.00 0.00 -0.95 1.61 5.09 -0.37 0.65 116.57 122.60 2e5o h LYS 67 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 2e5o h LYS 67 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 2e5o h LYS 67 CO 0.00 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 173.89 2e5o n ASP 68 N -2.50 1.64 -3.66 7.07 2.03 -1.26 -4.88 116.55 115.00 2e5o n ASP 68 Ca -0.01 -2.12 -0.30 0.00 0.52 0.00 0.00 54.79 52.88 2e5o n ASP 68 Cb 0.63 -0.52 0.25 0.00 -0.72 0.00 0.00 41.12 40.76 2e5o n ASP 68 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2e5o s VAL 69 N -1.18 1.56 0.37 5.18 -7.23 0.23 -5.08 120.40 114.24 2e5o s VAL 69 Ca 0.07 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.32 2e5o s VAL 69 Cb 0.05 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.39 2e5o s VAL 69 CO 0.02 0.00 0.04 -1.61 -0.31 0.00 0.00 175.10 173.24 2e5o s GLU 70 N -5.56 2.07 -0.27 4.82 2.02 -1.26 -5.12 118.70 115.40 2e5o s GLU 70 Ca 0.73 -1.85 -0.24 0.00 0.02 0.00 0.00 54.97 53.63 2e5o s GLU 70 Cb -0.07 -1.87 0.07 0.00 0.10 0.00 0.00 34.13 32.36 2e5o s GLU 70 CO 0.55 0.05 0.71 -0.06 0.02 0.00 0.00 175.26 176.53 2e5o s PHE 71 N -2.58 -0.82 0.87 1.61 0.08 -1.26 -4.86 117.98 111.01 2e5o s PHE 71 Ca 0.36 1.95 -0.11 0.00 0.12 0.00 0.00 56.93 59.24 2e5o s PHE 71 Cb 0.03 0.32 0.11 0.00 -0.57 0.00 0.00 43.02 42.91 2e5o s PHE 71 CO 0.20 -0.40 1.09 -1.25 -0.10 0.00 0.00 175.22 174.76 2e5o s PRO 72 N 0.56 1.50 0.20 0.24 0.04 -1.26 -4.98 135.00 131.29 2e5o s PRO 72 Ca -0.01 0.90 0.19 0.00 0.04 0.00 0.00 61.00 62.12 2e5o s PRO 72 Cb -0.05 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.67 2e5o s PRO 72 CO -0.02 -2.10 1.11 -0.97 0.04 0.00 0.00 177.00 175.06 2e5o h ASN 73 N -1.45 0.00 -5.22 6.66 -1.24 -2.04 -3.48 115.58 108.82 2e5o h ASN 73 Ca -0.48 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.46 2e5o h ASN 73 Cb 1.27 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 40.21 2e5o h ASN 73 CO 0.54 0.29 -0.18 1.51 -1.29 0.00 0.00 177.43 178.30 2e5o s ASP 74 N -5.81 -0.07 -0.46 1.15 1.47 -1.26 -5.13 116.67 106.57 2e5o s ASP 74 Ca 0.00 -0.81 0.02 0.00 1.18 0.00 0.00 52.55 52.95 2e5o s ASP 74 Cb 0.08 0.51 0.14 0.00 -0.34 0.00 0.00 42.92 43.32 2e5o s ASP 74 CO 0.77 -1.01 0.27 -0.31 0.68 0.00 0.00 175.17 175.58 2e5o s TYR 75 N -3.97 1.97 1.05 2.11 1.51 -1.26 -5.05 117.35 113.71 2e5o s TYR 75 Ca 0.17 -2.46 -0.14 0.00 -1.01 0.00 0.00 57.07 53.64 2e5o s TYR 75 Cb 0.01 -1.81 0.22 0.00 -0.11 0.00 0.00 41.96 40.27 2e5o s TYR 75 CO 0.02 -0.77 1.10 -1.25 -1.11 0.00 0.00 175.55 173.54 2e5o s PRO 76 N 0.19 -0.02 0.01 -1.71 0.04 -1.26 -4.79 135.00 127.46 2e5o s PRO 76 Ca 0.20 0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2e5o s PRO 76 Cb -0.19 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2e5o s PRO 76 CO -0.03 -3.00 -0.03 -1.54 0.04 0.00 0.00 177.00 172.44 2e5o s SER 77 N -3.55 0.27 -0.87 6.66 1.04 -1.26 -4.75 113.70 111.25 2e5o s SER 77 Ca 0.67 -0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.81 2e5o s SER 77 Cb -0.17 0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.98 2e5o s SER 77 CO 0.57 -0.11 0.62 0.61 0.98 0.00 0.00 173.24 175.92 2e5o n GLY 78 N 2.40 0.01 3.24 7.32 0.00 0.19 -4.89 105.19 113.46 2e5o n GLY 78 Ca -0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2e5o n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o s LEU 80 N -0.83 4.09 0.00 0.00 0.20 -1.03 -2.22 118.68 118.89 2e5o s LEU 80 Ca -0.09 1.50 0.00 0.00 0.69 0.00 0.00 54.13 56.23 2e5o s LEU 80 Cb -0.04 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 2e5o s LEU 80 CO 0.03 -0.83 0.00 0.18 -0.29 0.00 0.00 176.35 175.44 2e5o n LEU 81 N 6.83 0.29 0.00 -0.68 4.77 -0.95 -4.12 117.00 123.13 2e5o n LEU 81 Ca 0.14 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2e5o n LEU 81 Cb 0.45 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2e5o n LEU 81 CO 0.57 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2e5o n GLY 82 N 1.92 4.78 3.24 -0.72 0.00 -0.84 -0.75 105.19 112.82 2e5o n GLY 82 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2e5o n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o s VAL 84 N -2.26 0.02 -0.37 0.00 -7.23 0.71 -2.63 120.40 108.64 2e5o s VAL 84 Ca -0.07 -0.20 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 2e5o s VAL 84 Cb -0.02 -0.08 0.02 0.00 0.56 0.00 0.00 36.38 36.86 2e5o s VAL 84 CO -0.02 -0.11 0.96 -0.62 -0.31 0.00 0.00 175.10 175.00 2e5o s ASP 85 N -0.32 6.71 -0.83 4.85 -1.08 0.95 -1.22 116.67 125.73 2e5o s ASP 85 Ca -0.04 0.64 -0.25 0.00 -0.52 0.00 0.00 52.55 52.38 2e5o s ASP 85 Cb -0.02 -2.48 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 2e5o s ASP 85 CO -0.00 -0.88 1.51 -0.22 0.52 0.00 0.00 175.17 176.10 2e5o s LEU 86 N 3.55 3.29 0.10 -1.34 0.20 -0.18 0.65 118.68 124.94 2e5o s LEU 86 Ca 0.40 -0.66 -0.18 0.00 0.69 0.00 0.00 54.13 54.37 2e5o s LEU 86 Cb -0.12 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.02 2e5o s LEU 86 CO 0.19 -1.94 1.59 0.16 -0.29 0.00 0.00 176.35 176.07 2e5o h ILE 87 N 6.56 1.22 -2.33 6.68 -2.65 -1.34 -3.13 117.51 122.51 2e5o h ILE 87 Ca -0.08 -0.72 0.15 0.00 1.03 0.00 0.00 64.86 65.24 2e5o h ILE 87 Cb 1.05 1.15 -0.11 0.00 -2.05 0.00 0.00 36.82 36.86 2e5o h ILE 87 CO 1.31 0.23 0.48 -1.81 0.03 0.00 0.00 178.15 178.40 2e5o s ASP 88 N -5.84 -0.26 -0.33 2.16 1.01 -1.19 -4.92 116.67 107.31 2e5o s ASP 88 Ca -0.13 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 52.90 2e5o s ASP 88 Cb 0.08 0.45 0.10 0.00 1.01 0.00 0.00 42.92 44.57 2e5o s ASP 88 CO 0.74 -0.79 0.10 0.00 0.21 0.00 0.00 175.17 175.42 2e5o s LEU 90 N 1.23 3.44 0.40 0.00 1.43 -0.03 -4.84 118.68 120.32 2e5o s LEU 90 Ca 0.11 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 2e5o s LEU 90 Cb -0.19 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2e5o s LEU 90 CO -0.17 -1.00 0.27 -0.55 0.23 0.00 0.00 176.35 175.13 2e5o s SER 91 N -4.42 4.78 0.66 2.29 0.15 -1.26 0.15 113.70 116.06 2e5o s SER 91 Ca 0.57 -0.86 0.15 0.00 0.70 0.00 0.00 55.95 56.51 2e5o s SER 91 Cb -0.10 -0.58 0.81 0.00 -1.71 0.00 0.00 66.02 64.45 2e5o s SER 91 CO 0.36 -0.55 1.46 1.56 1.20 0.00 0.00 173.24 177.27 2e5o h GLN 92 N 1.25 0.00 0.00 5.44 1.08 -0.99 1.32 115.11 123.21 2e5o h GLN 92 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2e5o h GLN 92 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2e5o h GLN 92 CO 0.63 0.00 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.84 2e5o h LYS 93 N 0.00 0.00 0.01 1.46 3.64 -1.93 -3.36 116.57 116.39 2e5o h LYS 93 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2e5o h LYS 93 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2e5o h LYS 93 CO -0.00 0.00 -0.01 1.96 -2.27 0.00 0.00 179.45 179.13 2e5o h GLN 94 N -0.94 -0.02 -0.96 1.90 4.20 -1.60 -2.12 115.11 115.57 2e5o h GLN 94 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2e5o h GLN 94 Cb 0.45 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.09 2e5o h GLN 94 CO 0.00 0.50 -0.40 0.34 -0.67 0.00 0.00 178.83 178.60 2e5o n PHE 95 N -4.85 -0.03 -0.04 2.96 7.35 0.44 -0.42 117.46 122.87 2e5o n PHE 95 Ca -0.09 1.19 -0.13 0.00 -0.76 0.00 0.00 57.45 57.67 2e5o n PHE 95 Cb 0.27 -0.82 -0.07 0.00 0.35 0.00 0.00 39.48 39.20 2e5o n PHE 95 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 2e5o h LYS 96 N 0.00 0.25 -0.57 -4.13 2.10 -1.67 0.78 116.57 113.33 2e5o h LYS 96 Ca 0.31 -0.11 0.10 0.00 -2.00 0.00 0.00 60.65 58.95 2e5o h LYS 96 Cb 0.55 -0.01 -0.11 0.00 -0.90 0.00 0.00 32.23 31.76 2e5o h LYS 96 CO -0.95 0.60 -0.34 0.93 -2.00 0.00 0.00 179.45 177.68 2e5o h GLU 97 N -0.11 -0.17 0.00 0.07 5.08 -0.10 0.41 114.58 119.76 2e5o h GLU 97 Ca 0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2e5o h GLU 97 Cb 0.52 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2e5o h GLU 97 CO 0.02 -0.12 -0.13 1.96 -1.00 0.00 0.00 179.01 179.74 2e5o h GLN 98 N -0.18 0.00 -2.72 2.33 4.20 -0.77 -3.39 115.11 114.58 2e5o h GLN 98 Ca 0.22 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 58.19 2e5o h GLN 98 Cb 0.55 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 28.00 2e5o h GLN 98 CO -0.66 0.82 0.28 1.19 -0.67 0.00 0.00 178.83 179.79 2e5o n PHE 99 N -4.62 2.90 0.33 2.96 3.01 0.27 -4.82 117.46 117.49 2e5o n PHE 99 Ca -0.11 -3.21 0.15 0.00 1.01 0.00 0.00 57.45 55.29 2e5o n PHE 99 Cb 0.42 -1.03 0.61 0.00 -0.01 0.00 0.00 39.48 39.46 2e5o n PHE 99 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2e5o h PRO 100 N 5.09 0.00 0.00 -1.08 0.13 -0.30 -2.39 132.00 133.44 2e5o h PRO 100 Ca 0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.23 2e5o h PRO 100 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2e5o h PRO 100 CO 1.14 0.00 -0.48 -0.44 -0.23 0.00 0.00 178.00 177.99 2e5o h ASP 101 N 0.00 0.00 0.00 1.44 3.32 -1.88 -3.20 116.42 116.10 2e5o h ASP 101 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2e5o h ASP 101 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2e5o h ASP 101 CO 0.00 0.48 -0.22 2.30 -1.72 0.00 0.00 179.24 180.08 2e5o n ILE 102 N -3.49 2.01 0.28 0.35 -5.35 -1.02 -4.69 119.36 107.44 2e5o n ILE 102 Ca 0.00 -2.67 0.17 0.00 -0.27 0.00 0.00 62.75 59.98 2e5o n ILE 102 Cb 0.60 -0.23 0.74 0.00 -1.74 0.00 0.00 39.64 39.01 2e5o n ILE 102 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2e5o h SER 103 N 0.44 0.00 0.29 7.28 4.64 -1.44 -2.67 113.55 122.10 2e5o h SER 103 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2e5o h SER 103 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2e5o h SER 103 CO 0.00 0.05 -1.82 0.00 -0.87 0.00 0.00 176.83 174.19 2e5o n GLN 104 N -3.20 0.65 -0.33 4.77 -0.00 -1.26 -4.31 117.38 113.70 2e5o n GLN 104 Ca -0.00 -0.02 0.16 0.00 -0.00 0.00 0.00 57.00 57.14 2e5o n GLN 104 Cb 0.28 -1.63 0.35 0.00 -0.00 0.00 0.00 30.24 29.25 2e5o n GLN 104 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2e5o h GLU 105 N 0.00 0.47 -6.11 2.61 5.08 -1.79 -3.40 114.58 111.45 2e5o h GLU 105 Ca -0.16 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.57 2e5o h GLU 105 Cb 1.41 -0.11 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 2e5o h GLU 105 CO 0.02 0.31 -0.85 0.45 -1.00 0.00 0.00 179.01 177.94 2e5o s SER 106 N -5.17 2.50 -0.14 1.42 0.15 -1.25 -5.00 113.70 106.21 2e5o s SER 106 Ca -0.11 -0.47 0.15 0.00 0.70 0.00 0.00 55.95 56.21 2e5o s SER 106 Cb 0.26 -0.24 -0.21 0.00 -1.71 0.00 0.00 66.02 64.13 2e5o s SER 106 CO 0.79 0.20 0.10 -0.67 1.20 0.00 0.00 173.24 174.86 2e5o n ASP 107 N 2.11 1.08 -4.19 5.45 2.03 -1.26 -4.92 116.55 116.85 2e5o n ASP 107 Ca -0.16 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.80 2e5o n ASP 107 Cb 0.53 1.01 0.08 0.00 -0.72 0.00 0.00 41.12 42.03 2e5o n ASP 107 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2e5o n SER 108 N -2.52 -3.96 -0.08 1.67 7.64 -1.26 -4.90 113.62 110.20 2e5o n SER 108 Ca -0.23 0.20 -0.13 0.00 1.01 0.00 0.00 58.87 59.72 2e5o n SER 108 Cb 0.94 -0.93 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 2e5o n SER 108 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2e5o h PRO 109 N -1.31 0.60 -4.54 1.43 0.13 -1.94 -3.39 132.00 122.98 2e5o h PRO 109 Ca -0.44 -0.32 -0.69 0.00 -0.87 0.00 0.00 66.00 63.68 2e5o h PRO 109 Cb 1.30 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.11 2e5o h PRO 109 CO 0.28 0.91 -0.57 -0.06 -0.23 0.00 0.00 178.00 178.33 2e5o s PHE 110 N -4.34 3.50 0.07 1.56 0.08 -0.93 -0.51 117.98 117.41 2e5o s PHE 110 Ca -0.13 -2.23 -0.24 0.00 0.12 0.00 0.00 56.93 54.45 2e5o s PHE 110 Cb 0.08 -2.97 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 2e5o s PHE 110 CO 0.81 -0.93 0.74 0.08 -0.10 0.00 0.00 175.22 175.82 2e5o s VAL 111 N 1.19 4.66 -0.44 -0.44 1.01 0.39 -2.67 120.40 124.11 2e5o s VAL 111 Ca 0.05 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.52 2e5o s VAL 111 Cb -0.22 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.15 2e5o s VAL 111 CO -0.03 0.41 0.31 -0.36 0.00 0.00 0.00 175.10 175.43 2e5o s PHE 112 N -0.37 3.32 -0.11 5.22 0.08 0.10 -0.85 117.98 125.37 2e5o s PHE 112 Ca 0.37 -1.43 -0.30 0.00 0.12 0.00 0.00 56.93 55.70 2e5o s PHE 112 Cb -0.21 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 2e5o s PHE 112 CO 0.23 -0.86 1.29 0.42 -0.10 0.00 0.00 175.22 176.20 2e5o s ILE 113 N 1.47 4.16 0.17 0.64 1.01 0.14 -0.79 121.20 128.01 2e5o s ILE 113 Ca 0.04 1.44 0.10 0.00 0.00 0.00 0.00 60.65 62.22 2e5o s ILE 113 Cb -0.24 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2e5o s ILE 113 CO 0.03 -0.08 -0.21 0.00 0.00 0.00 0.00 174.94 174.67 2e5o s LYS 115 N -2.63 1.64 -1.25 0.00 -0.14 0.21 -4.60 119.74 112.96 2e5o s LYS 115 Ca 0.17 -1.94 -0.06 0.00 -1.36 0.00 0.00 55.97 52.78 2e5o s LYS 115 Cb -0.07 0.26 -0.01 0.00 -1.68 0.00 0.00 37.83 36.33 2e5o s LYS 115 CO 0.08 -0.58 0.70 0.09 -0.76 0.00 0.00 175.35 174.88 2e5o n ASN 116 N -1.24 -2.62 -4.64 2.83 3.02 -1.26 -0.03 115.26 111.31 2e5o n ASN 116 Ca 0.06 -0.89 -0.43 0.00 -0.03 0.00 0.00 54.58 53.29 2e5o n ASN 116 Cb 0.63 -3.84 -0.03 0.00 -0.61 0.00 0.00 39.78 35.94 2e5o n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2e5o s PRO 117 N -5.91 4.00 0.02 3.52 0.04 -1.26 -4.44 135.00 130.96 2e5o s PRO 117 Ca 0.17 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2e5o s PRO 117 Cb -0.05 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 2e5o s PRO 117 CO 0.83 -1.05 -0.12 1.14 0.04 0.00 0.00 177.00 177.84 2e5o s GLN 118 N 4.27 0.87 -0.24 4.56 -2.07 -1.08 -4.68 119.66 121.30 2e5o s GLN 118 Ca 0.69 -0.59 -0.06 0.00 -1.82 0.00 0.00 55.36 53.58 2e5o s GLN 118 Cb -0.27 -0.84 -0.02 0.00 -1.09 0.00 0.00 33.01 30.78 2e5o s GLN 118 CO 0.27 0.22 0.03 -2.00 -1.32 0.00 0.00 175.29 172.49 2e5o s GLU 119 N -0.79 3.58 0.71 9.60 2.12 -1.13 -1.98 118.70 130.81 2e5o s GLU 119 Ca 0.02 -0.52 -0.16 0.00 0.36 0.00 0.00 54.97 54.67 2e5o s GLU 119 Cb -0.06 -3.21 0.03 0.00 0.26 0.00 0.00 34.13 31.14 2e5o s GLU 119 CO 0.00 -0.17 1.21 -1.64 -0.54 0.00 0.00 175.26 174.13 2e5o s MET 120 N 1.50 2.26 0.08 4.30 -1.94 0.07 -4.81 119.30 120.76 2e5o s MET 120 Ca 0.06 1.78 0.01 0.00 -1.71 0.00 0.00 55.69 55.83 2e5o s MET 120 Cb -0.15 -1.84 -0.25 0.00 2.01 0.00 0.00 34.83 34.60 2e5o s MET 120 CO 0.02 -1.75 1.16 0.28 -0.01 0.00 0.00 175.02 174.71 2e5o h VAL 121 N -0.12 1.54 -3.66 -6.03 2.07 -1.58 -3.45 116.25 105.02 2e5o h VAL 121 Ca -0.48 -3.18 -0.68 0.00 0.82 0.00 0.00 66.70 63.17 2e5o h VAL 121 Cb 1.30 2.88 -0.32 0.00 -1.52 0.00 0.00 31.29 33.63 2e5o h VAL 121 CO 0.51 0.91 -0.88 0.54 0.02 0.00 0.00 177.57 178.67 2e5o s VAL 122 N -2.67 2.10 0.14 2.57 0.11 -1.26 -5.13 120.40 116.26 2e5o s VAL 122 Ca -0.02 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 2e5o s VAL 122 Cb 0.08 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2e5o s VAL 122 CO 0.85 0.56 0.22 -0.54 -3.33 0.00 0.00 175.10 172.87 2e5o s LYS 123 N 0.09 3.23 0.02 1.54 -0.14 -1.26 -4.89 119.74 118.32 2e5o s LYS 123 Ca -0.11 -0.68 0.08 0.00 -1.36 0.00 0.00 55.97 53.90 2e5o s LYS 123 Cb -0.16 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 2e5o s LYS 123 CO 0.06 0.52 -0.26 -0.06 -0.76 0.00 0.00 175.35 174.86 2e5o s PHE 124 N -1.71 2.27 -0.95 3.18 0.08 -1.26 -4.90 117.98 114.69 2e5o s PHE 124 Ca 0.33 -0.42 -0.24 0.00 0.12 0.00 0.00 56.93 56.72 2e5o s PHE 124 Cb -0.11 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 2e5o s PHE 124 CO 0.26 0.05 1.95 -1.25 -0.10 0.00 0.00 175.22 176.13 2e5o s PRO 125 N -0.94 2.54 0.29 0.24 0.04 -1.26 -2.46 135.00 133.46 2e5o s PRO 125 Ca 0.11 -0.45 0.07 0.00 0.04 0.00 0.00 61.00 60.77 2e5o s PRO 125 Cb -0.10 -5.09 -0.06 0.00 0.04 0.00 0.00 34.50 29.29 2e5o s PRO 125 CO 0.01 -3.49 -0.05 0.96 0.04 0.00 0.00 177.00 174.46 2e5o s ILE 126 N 10.27 1.71 -0.12 0.56 -5.25 -0.44 -4.98 121.20 122.94 2e5o s ILE 126 Ca 0.70 -2.12 -0.03 0.00 -0.99 0.00 0.00 60.65 58.20 2e5o s ILE 126 Cb -0.06 -2.51 -0.03 0.00 2.95 0.00 0.00 42.46 42.81 2e5o s ILE 126 CO 0.02 -0.26 -0.00 -0.54 -1.79 0.00 0.00 174.94 172.36 2e5o s LYS 127 N -3.72 3.32 0.65 0.37 1.02 -1.26 -3.34 119.74 116.78 2e5o s LYS 127 Ca 0.30 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 2e5o s LYS 127 Cb 0.04 -2.88 0.07 0.00 -0.52 0.00 0.00 37.83 34.54 2e5o s LYS 127 CO 0.13 0.50 0.91 0.20 -0.92 0.00 0.00 175.35 176.18 2e5o s GLY 128 N -0.34 1.77 0.06 -3.33 0.00 -1.26 -5.01 107.32 99.21 2e5o s GLY 128 Ca 0.07 -1.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 2e5o s GLY 128 CO 0.02 -0.89 0.31 -1.31 0.00 0.00 0.00 173.10 171.23 2e5o s ASN 129 N -4.53 -0.12 0.00 1.64 0.01 -1.26 -4.92 114.94 105.76 2e5o s ASN 129 Ca 0.61 -0.27 0.12 0.00 -0.71 0.00 0.00 52.86 52.61 2e5o s ASN 129 Cb -0.09 0.38 0.73 0.00 0.41 0.00 0.00 41.25 42.68 2e5o s ASN 129 CO 0.42 -0.67 1.16 -0.81 -1.51 0.00 0.00 177.10 175.69 2e5o n PRO 130 N 0.35 0.49 -3.23 -0.60 -0.04 -1.26 -4.04 135.00 126.67 2e5o n PRO 130 Ca -0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 2e5o n PRO 130 Cb 0.61 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 2e5o n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2e5o n LYS 131 N -0.89 0.26 -2.97 0.54 4.76 -1.26 -4.98 118.16 113.62 2e5o n LYS 131 Ca 0.09 -1.83 -0.40 0.00 -2.87 0.00 0.00 58.31 53.30 2e5o n LYS 131 Cb 0.04 1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 34.65 2e5o n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2e5o s ILE 132 N -2.72 4.87 -0.02 -0.18 1.01 -1.26 -4.58 121.20 118.32 2e5o s ILE 132 Ca 0.21 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.48 2e5o s ILE 132 Cb 0.01 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.39 2e5o s ILE 132 CO 0.15 0.29 0.01 -1.66 0.00 0.00 0.00 174.94 173.73 2e5o s TRP 133 N 0.42 0.19 0.17 3.97 1.48 -1.21 -5.04 118.94 118.91 2e5o s TRP 133 Ca 0.40 0.04 -0.33 0.00 -1.06 0.00 0.00 56.10 55.15 2e5o s TRP 133 Cb -0.19 -0.29 -0.12 0.00 -1.16 0.00 0.00 33.47 31.70 2e5o s TRP 133 CO 0.22 -0.09 1.71 1.17 -4.06 0.00 0.00 176.95 175.89 2e5o n LYS 134 N 3.95 2.57 -0.78 3.25 4.81 -1.26 -3.35 118.16 127.35 2e5o n LYS 134 Ca -0.25 0.93 -0.28 0.00 -0.87 0.00 0.00 58.31 57.84 2e5o n LYS 134 Cb 0.52 -2.76 0.23 0.00 0.02 0.00 0.00 35.03 33.04 2e5o n LYS 134 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2e5o s LEU 135 N 1.48 0.91 -0.05 3.14 1.43 -1.25 -4.95 118.68 119.38 2e5o s LEU 135 Ca 0.78 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 2e5o s LEU 135 Cb -0.56 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2e5o s LEU 135 CO 0.36 -3.94 1.05 -0.62 0.23 0.00 0.00 176.35 173.43 2e5o s ASP 136 N -2.93 7.23 0.20 2.29 2.15 -1.26 -4.83 116.67 119.51 2e5o s ASP 136 Ca 0.68 1.66 -0.06 0.00 0.43 0.00 0.00 52.55 55.25 2e5o s ASP 136 Cb -0.22 -2.56 0.32 0.00 -0.30 0.00 0.00 42.92 40.16 2e5o s ASP 136 CO 0.62 -0.43 1.12 -0.24 -0.17 0.00 0.00 175.17 176.08 2e5o n SER 137 N 4.65 -0.27 -0.23 -0.34 2.88 -1.26 0.26 113.62 119.31 2e5o n SER 137 Ca 0.08 1.24 -0.08 0.00 -1.33 0.00 0.00 58.87 58.78 2e5o n SER 137 Cb 0.49 -0.37 0.03 0.00 -0.75 0.00 0.00 64.21 63.61 2e5o n SER 137 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2e5o h LYS 138 N 0.00 1.09 -0.30 -1.46 1.79 -2.02 -3.06 116.57 112.60 2e5o h LYS 138 Ca 0.34 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2e5o h LYS 138 Cb 0.52 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2e5o h LYS 138 CO -0.74 1.01 0.09 0.82 -1.08 0.00 0.00 179.45 179.55 2e5o h ILE 139 N 1.00 1.21 -0.46 1.86 1.08 0.31 -3.02 117.51 119.48 2e5o h ILE 139 Ca 0.19 -0.67 0.04 0.00 -0.39 0.00 0.00 64.86 64.04 2e5o h ILE 139 Cb 0.47 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.23 2e5o h ILE 139 CO 0.02 0.22 -0.29 -0.74 -0.69 0.00 0.00 178.15 176.68 2e5o h HIS 140 N 0.33 -0.92 0.00 1.37 2.76 -0.20 0.24 115.15 118.74 2e5o h HIS 140 Ca 0.10 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2e5o h HIS 140 Cb 0.25 0.46 0.00 0.00 1.55 0.00 0.00 27.41 29.67 2e5o h HIS 140 CO 0.01 -0.18 0.00 1.04 -1.30 0.00 0.00 177.93 177.49 2e5o n GLN 141 N -4.09 0.00 -0.28 5.26 6.02 -1.23 -1.71 117.38 121.36 2e5o n GLN 141 Ca 0.01 0.69 0.19 0.00 -0.01 0.00 0.00 57.00 57.87 2e5o n GLN 141 Cb 0.13 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.25 2e5o n GLN 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e5o n GLY 142 N -1.00 -0.90 0.14 1.08 0.00 -1.04 0.13 105.19 103.60 2e5o n GLY 142 Ca 0.00 0.75 -0.10 0.00 0.00 0.00 0.00 46.02 46.67 2e5o n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o h ALA 143 N 1.67 0.35 0.00 4.61 0.00 -0.00 0.22 119.26 126.10 2e5o h ALA 143 Ca 0.60 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2e5o h ALA 143 Cb 1.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2e5o h ALA 143 CO -0.72 -0.12 -0.00 0.87 0.00 0.00 0.00 179.25 179.27 2e5o h LYS 144 N 0.33 0.00 0.02 0.00 1.57 0.20 -2.76 116.57 115.93 2e5o h LYS 144 Ca 0.10 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.61 2e5o h LYS 144 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2e5o h LYS 144 CO -0.02 0.00 -1.45 1.63 -0.57 0.00 0.00 179.45 179.05 2e5o n LYS 145 N -3.21 0.60 0.22 3.15 4.76 -0.70 -4.09 118.16 118.91 2e5o n LYS 145 Ca -0.03 0.51 0.07 0.00 -2.87 0.00 0.00 58.31 55.99 2e5o n LYS 145 Cb 0.10 -1.73 0.14 0.00 -1.84 0.00 0.00 35.03 31.70 2e5o n LYS 145 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2e5o h GLY 146 N -0.60 0.00 -2.77 0.72 0.00 -0.29 0.02 103.07 100.15 2e5o h GLY 146 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2e5o h GLY 146 CO -0.16 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.42 2e5o n LEU 147 N -2.68 4.61 -4.20 3.11 4.77 -1.23 -1.58 117.00 119.81 2e5o n LEU 147 Ca 0.04 -2.11 -0.29 0.00 -0.03 0.00 0.00 56.01 53.62 2e5o n LEU 147 Cb 1.06 -0.94 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 2e5o n LEU 147 CO 0.06 0.86 -0.54 0.00 -1.33 0.00 0.00 177.39 176.43 2e5o s MET 148 N 0.06 2.34 -1.11 3.23 0.23 -0.01 -4.77 119.30 119.27 2e5o s MET 148 Ca 0.00 -0.77 -0.03 0.00 -1.03 0.00 0.00 55.69 53.86 2e5o s MET 148 Cb 0.00 -1.94 -0.03 0.00 -1.53 0.00 0.00 34.83 31.32 2e5o s MET 148 CO 0.00 0.28 0.95 1.17 -2.03 0.00 0.00 175.02 175.38 2e5o n LYS 149 N 3.18 -4.39 -3.17 3.16 4.81 -1.26 -4.77 118.16 115.71 2e5o n LYS 149 Ca -0.18 0.85 -0.20 0.00 -0.87 0.00 0.00 58.31 57.90 2e5o n LYS 149 Cb 0.52 -5.80 0.04 0.00 0.02 0.00 0.00 35.03 29.81 2e5o n LYS 149 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2e5o s GLN 150 N -4.86 2.39 0.02 1.64 -2.07 -1.26 -4.93 119.66 110.58 2e5o s GLN 150 Ca 0.23 -1.63 -0.29 0.00 -1.82 0.00 0.00 55.36 51.84 2e5o s GLN 150 Cb -0.03 -2.58 -0.15 0.00 -1.09 0.00 0.00 33.01 29.16 2e5o s GLN 150 CO 0.72 -0.71 0.77 0.27 -1.32 0.00 0.00 175.29 175.02 2e5o n ASN 151 N -2.09 -0.13 -1.91 12.60 0.23 -1.26 -4.78 115.26 117.92 2e5o n ASN 151 Ca 0.12 0.89 -0.17 0.00 -0.53 0.00 0.00 54.58 54.88 2e5o n ASN 151 Cb 0.62 -0.71 0.04 0.00 -2.08 0.00 0.00 39.78 37.65 2e5o n ASN 151 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2e5o n LYS 152 N 1.10 1.83 0.00 -3.83 4.76 -1.26 -4.04 118.16 116.73 2e5o n LYS 152 Ca 0.15 -1.62 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 2e5o n LYS 152 Cb 0.08 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 2e5o n LYS 152 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e5o n ALA 153 N 0.32 2.90 0.79 7.82 0.00 -1.26 -5.31 120.51 125.76 2e5o n ALA 153 Ca 0.31 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.84 2e5o n ALA 153 Cb 0.58 0.38 0.08 0.00 0.00 0.00 0.00 19.45 20.49 2e5o n ALA 153 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05