#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 1.87 -4.53 1.61 2.88 -1.26 -4.83 113.62 109.36 2e5o n SER 2 Ca 0.00 0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 57.60 2e5o n SER 2 Cb 0.00 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 2e5o n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e5o s SER 3 N -5.88 6.33 0.00 -3.46 1.04 -1.26 -5.00 113.70 105.46 2e5o s SER 3 Ca -0.22 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2e5o s SER 3 Cb 0.03 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2e5o s SER 3 CO 0.33 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2e5o n GLY 4 N 5.16 -1.60 3.66 7.32 0.00 -1.26 -4.82 105.19 113.64 2e5o n GLY 4 Ca 0.03 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.60 6.94 -0.14 1.61 1.04 -1.26 -4.89 113.70 115.40 2e5o s SER 5 Ca 0.00 1.61 0.15 0.00 0.48 0.00 0.00 55.95 58.20 2e5o s SER 5 Cb 0.00 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 64.02 2e5o s SER 5 CO 0.00 -0.78 1.34 -1.20 0.98 0.00 0.00 173.24 173.58 2e5o n SER 6 N 6.67 3.46 -1.98 7.02 7.64 -1.26 -4.98 113.62 130.19 2e5o n SER 6 Ca 0.14 -2.82 -0.04 0.00 1.01 0.00 0.00 58.87 57.15 2e5o n SER 6 Cb 0.45 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.46 0.30 3.77 0.23 0.00 -1.26 -4.79 105.19 102.96 2e5o n GLY 7 Ca 0.18 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.11 2.59 -0.01 1.61 0.52 -1.26 -4.06 118.94 115.22 2e5o s TRP 8 Ca 0.12 1.19 0.01 0.00 0.02 0.00 0.00 56.10 57.44 2e5o s TRP 8 Cb -0.02 -3.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 2e5o s TRP 8 CO 0.22 -2.07 -0.02 0.00 0.02 0.00 0.00 176.95 175.10 2e5o s LEU 10 N 0.18 3.73 0.37 0.00 2.96 0.33 -3.47 118.68 122.78 2e5o s LEU 10 Ca -0.01 -1.58 -0.27 0.00 -0.22 0.00 0.00 54.13 52.05 2e5o s LEU 10 Cb -0.04 -1.55 -0.09 0.00 0.50 0.00 0.00 46.19 45.01 2e5o s LEU 10 CO -0.00 -0.24 1.25 -0.55 -1.32 0.00 0.00 176.35 175.49 2e5o s SER 11 N 1.07 6.58 0.20 3.68 0.15 -1.26 -3.24 113.70 120.87 2e5o s SER 11 Ca -0.04 2.56 0.08 0.00 0.70 0.00 0.00 55.95 59.24 2e5o s SER 11 Cb -0.20 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.43 2e5o s SER 11 CO -0.06 -0.65 -0.15 -0.69 1.20 0.00 0.00 173.24 172.89 2e5o s VAL 12 N -1.26 1.73 -0.39 4.45 1.01 0.13 -4.85 120.40 121.22 2e5o s VAL 12 Ca 0.54 -2.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.13 2e5o s VAL 12 Cb -0.36 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.02 2e5o s VAL 12 CO 0.47 -0.57 0.67 -1.00 0.00 0.00 0.00 175.10 174.66 2e5o s HIS 13 N -2.88 3.11 0.95 5.22 3.76 -1.26 -0.93 115.29 123.26 2e5o s HIS 13 Ca 0.21 0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 55.25 2e5o s HIS 13 Cb -0.01 -3.28 0.14 0.00 1.11 0.00 0.00 32.58 30.54 2e5o s HIS 13 CO 0.07 -0.74 0.99 1.04 -0.85 0.00 0.00 174.74 175.25 2e5o n GLN 14 N 6.21 -0.63 0.18 1.40 6.02 -1.26 -2.99 117.38 126.31 2e5o n GLN 14 Ca -0.01 -0.12 0.03 0.00 -0.01 0.00 0.00 57.00 56.89 2e5o n GLN 14 Cb 0.48 -2.26 0.33 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.92 0.00 -0.44 -1.09 0.13 -1.93 -3.38 132.00 123.37 2e5o h PRO 15 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2e5o h PRO 15 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2e5o h PRO 15 CO 0.40 0.42 -0.22 0.91 -0.23 0.00 0.00 178.00 179.28 2e5o n TRP 16 N -3.85 -0.11 -0.23 1.56 8.01 -1.16 0.35 117.44 122.01 2e5o n TRP 16 Ca -0.01 0.54 -0.06 0.00 -1.31 0.00 0.00 57.50 56.66 2e5o n TRP 16 Cb 0.48 -0.58 -0.06 0.00 -2.01 0.00 0.00 31.31 29.14 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 -3.71 -0.35 -0.09 6.99 0.00 -1.16 0.47 120.51 122.66 2e5o n ALA 17 Ca 0.02 0.47 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 2e5o n ALA 17 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 0.39 -1.37 0.00 0.02 -0.45 -2.50 113.55 109.64 2e5o h SER 18 Ca 0.09 -0.16 0.40 0.00 -0.84 0.00 0.00 61.79 61.28 2e5o h SER 18 Cb 0.23 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 2e5o h SER 18 CO -0.52 0.44 0.97 -0.07 -1.14 0.00 0.00 176.83 176.51 2e5o h LEU 19 N 0.31 0.07 0.12 5.07 3.38 0.67 0.19 115.31 125.13 2e5o h LEU 19 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2e5o h LEU 19 Cb 0.17 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2e5o h LEU 19 CO -0.01 -0.01 -0.06 -0.07 0.09 0.00 0.00 178.44 178.38 2e5o h LEU 20 N 0.05 -0.14 -0.22 1.67 4.07 -0.58 0.24 115.31 120.38 2e5o h LEU 20 Ca 0.68 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.65 2e5o h LEU 20 Cb 2.58 0.04 0.00 0.00 1.08 0.00 0.00 40.66 44.35 2e5o h LEU 20 CO -0.08 -0.07 0.00 1.33 -1.08 0.00 0.00 178.44 178.54 2e5o n VAL 21 N -2.64 1.79 0.08 1.22 0.24 -0.71 -1.40 118.33 116.91 2e5o n VAL 21 Ca -0.02 0.52 -0.22 0.00 -2.04 0.00 0.00 64.34 62.58 2e5o n VAL 21 Cb 0.07 -1.50 -0.15 0.00 -1.47 0.00 0.00 33.84 30.78 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 0.40 0.00 7.34 2.47 -0.58 -2.41 114.38 121.60 2e5o h ARG 22 Ca 0.00 -0.68 0.00 0.00 -1.26 0.00 0.00 59.98 58.04 2e5o h ARG 22 Cb 0.02 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2e5o h ARG 22 CO 0.00 1.31 0.00 0.41 0.56 0.00 0.00 179.97 182.25 2e5o n GLY 23 N 1.80 0.69 0.09 0.04 0.00 -0.49 -4.92 105.19 102.40 2e5o n GLY 23 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 1.33 -3.47 -0.61 5.03 -0.80 -3.45 117.51 115.53 2e5o h ILE 24 Ca 0.00 -2.27 -0.61 0.00 -0.12 0.00 0.00 64.86 61.86 2e5o h ILE 24 Cb 0.00 2.79 -0.11 0.00 -3.03 0.00 0.00 36.82 36.46 2e5o h ILE 24 CO 0.00 0.47 0.23 -0.75 -0.68 0.00 0.00 178.15 177.42 2e5o s LYS 25 N -2.30 4.01 0.00 2.37 2.47 -0.28 -4.90 119.74 121.10 2e5o s LYS 25 Ca -0.24 0.50 0.19 0.00 -1.56 0.00 0.00 55.97 54.87 2e5o s LYS 25 Cb 0.02 -3.69 0.15 0.00 -1.46 0.00 0.00 37.83 32.85 2e5o s LYS 25 CO 0.65 -0.53 1.11 -2.13 0.16 0.00 0.00 175.35 174.61 2e5o n ARG 26 N 5.89 1.69 -3.94 4.03 0.63 -1.26 -4.35 116.66 119.35 2e5o n ARG 26 Ca 0.01 -1.65 -0.09 0.00 -0.92 0.00 0.00 57.85 55.20 2e5o n ARG 26 Cb 0.49 -1.37 -0.09 0.00 0.45 0.00 0.00 32.46 31.93 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 -1.63 0.14 0.16 5.15 -7.23 -1.26 -0.94 120.40 114.79 2e5o s VAL 27 Ca 0.23 -1.17 0.10 0.00 -1.81 0.00 0.00 61.98 59.33 2e5o s VAL 27 Cb 0.16 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 2e5o s VAL 27 CO 0.25 -0.65 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.46 2e5o s GLU 28 N -2.81 1.37 -0.15 4.82 -6.30 0.08 -4.91 118.70 110.80 2e5o s GLU 28 Ca -0.03 -1.40 -0.02 0.00 -2.50 0.00 0.00 54.97 51.02 2e5o s GLU 28 Cb -0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 34.13 32.45 2e5o s GLU 28 CO -0.06 0.37 -0.08 0.20 0.02 0.00 0.00 175.26 175.71 2e5o s GLY 29 N -2.41 1.64 -0.06 -1.50 0.00 -1.26 -0.02 107.32 103.70 2e5o s GLY 29 Ca 0.16 -0.87 -0.12 0.00 0.00 0.00 0.00 44.72 43.88 2e5o s GLY 29 CO 0.07 -0.09 0.30 0.50 0.00 0.00 0.00 173.10 173.88 2e5o s ARG 30 N 0.42 0.51 -0.03 2.90 1.81 -1.08 -4.92 118.95 118.56 2e5o s ARG 30 Ca -0.06 0.11 0.02 0.00 -1.72 0.00 0.00 55.73 54.07 2e5o s ARG 30 Cb -0.15 0.23 0.12 0.00 -0.45 0.00 0.00 34.95 34.70 2e5o s ARG 30 CO 0.04 -0.11 0.75 -1.13 -0.68 0.00 0.00 175.30 174.17 2e5o n SER 31 N 2.10 1.56 -4.06 0.23 3.41 -1.26 -2.19 113.62 113.40 2e5o n SER 31 Ca -0.17 -2.12 -0.10 0.00 -0.26 0.00 0.00 58.87 56.22 2e5o n SER 31 Cb 0.57 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.35 0.65 -0.08 7.33 1.48 -1.26 -4.90 118.94 120.80 2e5o s TRP 32 Ca 0.08 -1.01 -0.02 0.00 -1.06 0.00 0.00 56.10 54.09 2e5o s TRP 32 Cb 0.06 -0.26 -0.03 0.00 -1.16 0.00 0.00 33.47 32.07 2e5o s TRP 32 CO 0.03 -0.64 0.03 -0.47 -4.06 0.00 0.00 176.95 171.84 2e5o s TYR 33 N -4.02 3.25 -0.25 1.66 6.14 -1.26 -4.56 117.35 118.31 2e5o s TYR 33 Ca 0.22 0.25 -0.02 0.00 0.64 0.00 0.00 57.07 58.15 2e5o s TYR 33 Cb 0.05 -1.81 0.08 0.00 0.42 0.00 0.00 41.96 40.71 2e5o s TYR 33 CO 0.02 0.53 0.08 -0.08 0.64 0.00 0.00 175.55 176.73 2e5o s THR 34 N -0.95 0.49 -2.00 4.34 -1.32 -1.26 -4.98 115.64 109.96 2e5o s THR 34 Ca 0.15 -0.85 0.12 0.00 -1.21 0.00 0.00 61.69 59.89 2e5o s THR 34 Cb -0.11 -1.21 0.33 0.00 -1.51 0.00 0.00 72.50 70.00 2e5o s THR 34 CO 0.04 -0.47 1.12 -0.81 -2.21 0.00 0.00 174.62 172.29 2e5o n PRO 35 N 5.03 0.49 -1.72 7.08 -0.04 -1.26 -4.73 135.00 139.85 2e5o n PRO 35 Ca -0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 2e5o n PRO 35 Cb 0.45 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.36 -0.19 0.54 5.65 -1.26 -4.96 115.29 114.42 2e5o s HIS 36 Ca 0.17 0.42 -0.02 0.00 0.25 0.00 0.00 55.06 55.88 2e5o s HIS 36 Cb 0.08 -4.01 -0.00 0.00 -1.18 0.00 0.00 32.58 27.47 2e5o s HIS 36 CO 0.13 -4.02 -0.10 1.03 -0.65 0.00 0.00 174.74 171.14 2e5o s ARG 37 N 5.86 3.29 0.00 2.88 1.81 -1.26 -4.84 118.95 126.68 2e5o s ARG 37 Ca 0.93 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 54.26 2e5o s ARG 37 Cb -0.32 -2.83 0.00 0.00 -0.45 0.00 0.00 34.95 31.35 2e5o s ARG 37 CO 0.35 -0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.27 2e5o n GLY 38 N 4.49 0.13 3.89 -3.53 0.00 -1.06 -4.97 105.19 104.14 2e5o n GLY 38 Ca -0.19 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 3.47 -0.18 1.61 3.52 -1.26 0.03 118.95 126.15 2e5o s ARG 39 Ca 0.00 -0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.38 2e5o s ARG 39 Cb 0.00 -3.14 0.08 0.00 -1.56 0.00 0.00 34.95 30.33 2e5o s ARG 39 CO 0.00 0.72 0.19 -1.17 -0.81 0.00 0.00 175.30 174.23 2e5o s LEU 40 N -1.45 -0.03 -0.09 -0.88 2.96 -0.20 -4.20 118.68 114.79 2e5o s LEU 40 Ca 0.21 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 2e5o s LEU 40 Cb -0.13 0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.80 2e5o s LEU 40 CO 0.11 -0.32 1.37 0.26 -1.32 0.00 0.00 176.35 176.46 2e5o s TRP 41 N 2.29 2.69 -0.12 5.38 0.52 0.74 -0.19 118.94 130.24 2e5o s TRP 41 Ca 0.05 0.81 -0.17 0.00 0.02 0.00 0.00 56.10 56.81 2e5o s TRP 41 Cb -0.15 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.51 2e5o s TRP 41 CO -0.10 -2.30 0.44 0.42 0.02 0.00 0.00 176.95 175.43 2e5o s ILE 42 N 3.23 5.21 0.01 2.03 -1.09 0.27 0.12 121.20 130.99 2e5o s ILE 42 Ca 0.61 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.96 2e5o s ILE 42 Cb -0.27 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 2e5o s ILE 42 CO 0.21 0.34 -0.16 0.00 -1.23 0.00 0.00 174.94 174.10 2e5o s ALA 43 N 0.58 1.37 -0.13 9.38 0.00 -1.20 -1.98 121.76 129.78 2e5o s ALA 43 Ca 0.24 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 2e5o s ALA 43 Cb -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2e5o s ALA 43 CO 0.09 0.32 1.20 0.00 0.00 0.00 0.00 175.76 177.36 2e5o s ALA 44 N -0.55 3.59 1.35 0.00 0.00 -0.54 0.20 121.76 125.80 2e5o s ALA 44 Ca 0.05 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 2e5o s ALA 44 Cb -0.07 -3.56 0.33 0.00 0.00 0.00 0.00 23.12 19.82 2e5o s ALA 44 CO 0.00 -0.97 0.85 0.25 0.00 0.00 0.00 175.76 175.89 2e5o n THR 45 N 5.03 0.00 0.41 0.00 -2.24 -0.11 0.14 114.28 117.51 2e5o n THR 45 Ca 0.12 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2e5o n THR 45 Cb 0.46 -0.95 0.50 0.00 -2.10 0.00 0.00 70.33 68.24 2e5o n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5o h ALA 46 N -3.23 1.00 -2.64 6.98 0.00 -1.90 -2.13 119.26 117.34 2e5o h ALA 46 Ca -0.48 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.93 2e5o h ALA 46 Cb 1.31 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.13 2e5o h ALA 46 CO 0.33 0.00 0.45 0.21 0.00 0.00 0.00 179.25 180.25 2e5o s LYS 47 N -3.34 4.19 -0.13 0.00 2.20 -1.26 -4.80 119.74 116.60 2e5o s LYS 47 Ca 0.05 1.67 -0.06 0.00 -0.36 0.00 0.00 55.97 57.27 2e5o s LYS 47 Cb 0.10 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2e5o s LYS 47 CO 0.47 -0.15 0.09 -1.59 -0.36 0.00 0.00 175.35 173.81 2e5o s LYS 48 N -2.26 3.48 0.09 4.03 0.00 -1.26 -4.56 119.74 119.25 2e5o s LYS 48 Ca 0.55 -0.25 -0.31 0.00 0.00 0.00 0.00 55.97 55.97 2e5o s LYS 48 Cb -0.27 -3.11 -0.07 0.00 0.00 0.00 0.00 37.83 34.38 2e5o s LYS 48 CO 0.33 0.63 1.38 -1.25 0.00 0.00 0.00 175.35 176.45 2e5o s PRO 49 N -0.63 4.32 0.64 1.78 0.04 -1.26 -4.97 135.00 134.93 2e5o s PRO 49 Ca 0.12 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 2e5o s PRO 49 Cb -0.12 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2e5o s PRO 49 CO 0.02 -0.45 1.07 -1.12 0.04 0.00 0.00 177.00 176.56 2e5o s SER 50 N 1.28 5.46 0.00 6.66 0.01 -1.26 -4.92 113.70 120.92 2e5o s SER 50 Ca 0.64 1.82 0.14 0.00 1.31 0.00 0.00 55.95 59.86 2e5o s SER 50 Cb -0.35 -2.53 0.67 0.00 0.21 0.00 0.00 66.02 64.02 2e5o s SER 50 CO 0.29 -1.39 1.43 -0.81 0.41 0.00 0.00 173.24 173.18 2e5o n PRO 51 N -2.44 0.09 -0.05 12.44 -0.04 -1.26 -2.54 135.00 141.20 2e5o n PRO 51 Ca 0.09 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 2e5o n PRO 51 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.40 0.70 -0.07 0.54 1.13 -1.26 -3.58 117.38 113.43 2e5o n GLN 52 Ca 0.05 0.20 -0.15 0.00 -1.94 0.00 0.00 57.00 55.16 2e5o n GLN 52 Cb 0.14 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 28.80 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 0.03 0.68 0.10 -1.09 3.07 -1.89 -1.33 114.58 114.15 2e5o h GLU 53 Ca -0.46 -0.43 -0.00 0.00 -0.50 0.00 0.00 59.36 57.96 2e5o h GLU 53 Cb 2.02 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.98 2e5o h GLU 53 CO 0.03 1.05 -0.05 0.28 -1.40 0.00 0.00 179.01 178.92 2e5o h VAL 54 N 0.39 1.03 -0.49 3.13 2.07 -1.69 0.33 116.25 121.02 2e5o h VAL 54 Ca 0.01 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2e5o h VAL 54 Cb 1.02 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2e5o h VAL 54 CO 0.09 0.12 0.26 -1.28 0.02 0.00 0.00 177.57 176.78 2e5o h SER 55 N -0.35 0.62 0.46 0.57 0.87 -1.63 0.13 113.55 114.22 2e5o h SER 55 Ca -0.01 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2e5o h SER 55 Cb 0.29 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2e5o h SER 55 CO 0.02 0.53 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.30 2e5o h GLU 56 N 0.65 -0.60 0.18 2.24 5.08 -1.20 -3.12 114.58 117.81 2e5o h GLU 56 Ca 0.17 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2e5o h GLU 56 Cb 0.06 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2e5o h GLU 56 CO -0.03 -0.29 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.29 2e5o h LEU 57 N -0.94 -0.94 -0.87 1.33 3.38 -0.32 0.22 115.31 117.17 2e5o h LEU 57 Ca -0.06 0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.21 2e5o h LEU 57 Cb 0.58 0.35 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 2e5o h LEU 57 CO 0.10 -0.43 -0.14 0.00 0.09 0.00 0.00 178.44 178.07 2e5o n GLN 58 N -5.43 -0.08 0.01 1.13 6.02 0.44 0.16 117.38 119.63 2e5o n GLN 58 Ca -0.07 1.34 -0.18 0.00 -0.01 0.00 0.00 57.00 58.08 2e5o n GLN 58 Cb 0.34 -2.05 -0.12 0.00 1.02 0.00 0.00 30.24 29.43 2e5o n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5o h ALA 59 N 1.75 0.05 -0.20 -1.58 0.00 -1.36 -2.40 119.26 115.51 2e5o h ALA 59 Ca 0.46 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2e5o h ALA 59 Cb 0.80 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2e5o h ALA 59 CO -0.87 0.33 -0.24 1.15 0.00 0.00 0.00 179.25 179.61 2e5o h THR 60 N -0.19 0.40 -0.50 0.00 2.02 0.31 -1.86 112.91 113.09 2e5o h THR 60 Ca -0.08 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2e5o h THR 60 Cb 1.33 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2e5o h THR 60 CO 0.12 0.00 -0.10 1.88 0.37 0.00 0.00 175.52 177.79 2e5o h TYR 61 N -0.28 1.02 -1.03 3.16 0.05 -0.41 -2.75 116.97 116.73 2e5o h TYR 61 Ca 0.12 -0.20 0.26 0.00 0.05 0.00 0.00 58.73 58.96 2e5o h TYR 61 Cb 0.46 -0.26 -0.10 0.00 1.01 0.00 0.00 36.73 37.84 2e5o h TYR 61 CO -0.38 0.97 0.65 0.00 -1.05 0.00 0.00 178.16 178.35 2e5o h ARG 62 N 0.83 0.44 0.00 4.88 3.08 -0.81 0.94 114.38 123.75 2e5o h ARG 62 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2e5o h ARG 62 Cb 0.63 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2e5o h ARG 62 CO 0.04 0.29 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.65 2e5o h LEU 63 N 0.46 0.00 0.00 3.04 3.38 -1.22 1.46 115.31 122.43 2e5o h LEU 63 Ca 0.61 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 58.23 2e5o h LEU 63 Cb 1.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 2e5o h LEU 63 CO -0.36 0.06 -1.31 -0.07 0.09 0.00 0.00 178.44 176.86 2e5o h LEU 64 N 0.00 0.00 0.00 1.67 3.38 0.95 -3.40 115.31 117.91 2e5o h LEU 64 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2e5o h LEU 64 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2e5o h LEU 64 CO 0.00 0.88 -0.87 0.54 0.09 0.00 0.00 178.44 179.09 2e5o n ARG 65 N -3.14 2.78 0.00 1.13 5.12 0.12 -5.08 116.66 117.59 2e5o n ARG 65 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2e5o n ARG 65 Cb 0.95 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 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 2.54 4.03 0.36 -0.13 0.00 0.46 -4.87 105.19 107.59 2e5o n GLY 66 Ca 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 1.61 5.09 -0.78 1.03 116.57 123.53 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 -0.40 -2.09 0.00 0.00 179.45 176.96 2e5o n ASP 68 N -2.78 0.00 -3.37 7.07 5.68 -1.26 -4.80 116.55 117.08 2e5o n ASP 68 Ca 0.02 -0.72 -0.31 0.00 -0.50 0.00 0.00 54.79 53.29 2e5o n ASP 68 Cb 0.84 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 41.11 2e5o n ASP 68 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2e5o s VAL 69 N -2.00 1.14 0.41 2.12 -7.23 0.36 -5.06 120.40 110.13 2e5o s VAL 69 Ca 0.18 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.40 2e5o s VAL 69 Cb 0.08 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 2e5o s VAL 69 CO 0.14 0.00 0.03 -1.61 -0.31 0.00 0.00 175.10 173.35 2e5o s GLU 70 N -5.06 1.92 -0.24 4.82 8.01 -1.26 -5.12 118.70 121.77 2e5o s GLU 70 Ca 0.68 -2.12 -0.26 0.00 0.01 0.00 0.00 54.97 53.28 2e5o s GLU 70 Cb -0.13 -1.33 0.08 0.00 -4.31 0.00 0.00 34.13 28.43 2e5o s GLU 70 CO 0.58 -0.18 0.76 -0.06 0.01 0.00 0.00 175.26 176.36 2e5o s PHE 71 N -2.94 -0.73 0.91 1.61 0.08 -1.26 -4.85 117.98 110.81 2e5o s PHE 71 Ca 0.29 1.71 -0.12 0.00 0.12 0.00 0.00 56.93 58.93 2e5o s PHE 71 Cb 0.07 0.30 0.14 0.00 -0.57 0.00 0.00 43.02 42.97 2e5o s PHE 71 CO 0.14 -0.39 1.09 -1.25 -0.10 0.00 0.00 175.22 174.71 2e5o s PRO 72 N 0.13 1.10 0.05 0.24 0.04 -1.26 -4.99 135.00 130.32 2e5o s PRO 72 Ca -0.01 0.76 0.15 0.00 0.04 0.00 0.00 61.00 61.94 2e5o s PRO 72 Cb -0.04 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.55 2e5o s PRO 72 CO 0.01 -2.33 0.84 -2.95 0.04 0.00 0.00 177.00 172.61 2e5o h ASN 73 N -1.61 0.00 -5.34 6.66 -1.07 -2.04 -3.48 115.58 108.69 2e5o h ASN 73 Ca -0.50 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.73 2e5o h ASN 73 Cb 1.29 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.41 2e5o h ASN 73 CO 0.55 0.70 -0.43 1.51 0.07 0.00 0.00 177.43 179.83 2e5o s ASP 74 N -5.95 0.12 -0.45 6.14 -4.77 -1.26 -5.13 116.67 105.38 2e5o s ASP 74 Ca -0.03 -1.03 0.02 0.00 -3.30 0.00 0.00 52.55 48.22 2e5o s ASP 74 Cb 0.08 0.40 0.14 0.00 -1.09 0.00 0.00 42.92 42.46 2e5o s ASP 74 CO 0.81 -0.86 0.26 -0.31 0.70 0.00 0.00 175.17 175.77 2e5o s TYR 75 N -4.01 1.92 0.98 2.11 1.51 -1.26 -5.06 117.35 113.54 2e5o s TYR 75 Ca 0.22 -2.42 -0.12 0.00 -1.01 0.00 0.00 57.07 53.74 2e5o s TYR 75 Cb 0.05 -1.79 0.18 0.00 -0.11 0.00 0.00 41.96 40.28 2e5o s TYR 75 CO 0.02 -0.77 1.09 -1.25 -1.11 0.00 0.00 175.55 173.53 2e5o s PRO 76 N 0.27 0.60 0.06 -1.71 0.04 -1.26 -4.80 135.00 128.20 2e5o s PRO 76 Ca 0.19 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.86 2e5o s PRO 76 Cb -0.21 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2e5o s PRO 76 CO -0.02 -2.63 -0.11 -1.54 0.04 0.00 0.00 177.00 172.74 2e5o s SER 77 N -3.44 1.27 -1.40 6.66 1.04 -1.26 -4.72 113.70 111.84 2e5o s SER 77 Ca 0.65 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 2e5o s SER 77 Cb -0.18 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 65.96 2e5o s SER 77 CO 0.57 -0.15 1.12 0.61 0.98 0.00 0.00 173.24 176.38 2e5o n GLY 78 N 1.33 -0.53 3.18 7.32 0.00 0.36 -4.87 105.19 111.99 2e5o n GLY 78 Ca -0.22 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.62 3.77 0.00 0.00 0.20 -0.98 -1.47 118.68 118.58 2e5o s LEU 80 Ca -0.11 0.83 0.00 0.00 0.69 0.00 0.00 54.13 55.54 2e5o s LEU 80 Cb -0.04 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2e5o s LEU 80 CO 0.01 -1.11 0.00 0.18 -0.29 0.00 0.00 176.35 175.13 2e5o n LEU 81 N 7.56 0.16 0.00 -0.68 4.77 -0.84 -4.10 117.00 123.87 2e5o n LEU 81 Ca 0.13 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2e5o n LEU 81 Cb 0.48 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2e5o n LEU 81 CO 0.66 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2e5o n GLY 82 N 2.00 4.72 3.34 -0.72 0.00 -0.95 -1.00 105.19 112.59 2e5o n GLY 82 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.21 -0.00 -0.41 0.00 -7.23 0.73 -2.72 120.40 108.56 2e5o s VAL 84 Ca -0.07 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 2e5o s VAL 84 Cb -0.01 -0.06 0.02 0.00 0.56 0.00 0.00 36.38 36.89 2e5o s VAL 84 CO -0.00 0.00 1.03 -0.62 -0.31 0.00 0.00 175.10 175.20 2e5o s ASP 85 N 0.03 6.69 -0.70 4.85 -1.08 0.55 -1.03 116.67 125.99 2e5o s ASP 85 Ca -0.00 0.58 -0.27 0.00 -0.52 0.00 0.00 52.55 52.34 2e5o s ASP 85 Cb -0.00 -2.51 0.02 0.00 -1.46 0.00 0.00 42.92 38.96 2e5o s ASP 85 CO -0.00 -1.03 1.42 -0.22 0.52 0.00 0.00 175.17 175.86 2e5o s LEU 86 N 3.90 3.21 0.04 -1.34 0.20 0.11 -0.23 118.68 124.56 2e5o s LEU 86 Ca 0.43 -0.22 -0.20 0.00 0.69 0.00 0.00 54.13 54.83 2e5o s LEU 86 Cb -0.10 -2.59 -0.15 0.00 -0.43 0.00 0.00 46.19 42.92 2e5o s LEU 86 CO 0.24 -1.95 1.30 0.16 -0.29 0.00 0.00 176.35 175.81 2e5o h ILE 87 N 6.25 1.37 -2.45 6.68 -2.65 -1.33 -2.81 117.51 122.55 2e5o h ILE 87 Ca -0.27 -1.47 0.13 0.00 1.03 0.00 0.00 64.86 64.28 2e5o h ILE 87 Cb 1.08 1.99 -0.10 0.00 -2.05 0.00 0.00 36.82 37.73 2e5o h ILE 87 CO 1.26 0.43 0.43 -1.81 0.03 0.00 0.00 178.15 178.50 2e5o s ASP 88 N -6.27 -0.28 -0.36 2.16 1.01 -1.20 -4.91 116.67 106.82 2e5o s ASP 88 Ca -0.14 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 52.87 2e5o s ASP 88 Cb 0.05 0.49 0.11 0.00 1.01 0.00 0.00 42.92 44.58 2e5o s ASP 88 CO 0.77 -0.87 0.13 0.00 0.21 0.00 0.00 175.17 175.41 2e5o s LEU 90 N 1.04 3.48 0.41 0.00 1.43 -0.10 -4.82 118.68 120.11 2e5o s LEU 90 Ca 0.12 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2e5o s LEU 90 Cb -0.20 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 2e5o s LEU 90 CO -0.14 -0.92 0.42 -0.55 0.23 0.00 0.00 176.35 175.40 2e5o s SER 91 N -4.34 5.25 0.65 2.29 0.15 -1.26 0.14 113.70 116.59 2e5o s SER 91 Ca 0.54 -0.62 0.14 0.00 0.70 0.00 0.00 55.95 56.71 2e5o s SER 91 Cb -0.10 -0.65 0.71 0.00 -1.71 0.00 0.00 66.02 64.27 2e5o s SER 91 CO 0.37 -0.65 1.38 1.56 1.20 0.00 0.00 173.24 177.11 2e5o h GLN 92 N 0.94 0.00 0.00 5.44 1.08 -1.08 0.99 115.11 122.49 2e5o h GLN 92 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2e5o h GLN 92 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2e5o h GLN 92 CO 0.54 0.00 -0.05 1.17 -0.95 0.00 0.00 178.83 179.54 2e5o n LYS 93 N -2.78 0.04 -0.16 1.46 4.81 -1.26 -4.08 118.16 116.19 2e5o n LYS 93 Ca 0.02 0.23 -0.05 0.00 -0.87 0.00 0.00 58.31 57.65 2e5o n LYS 93 Cb 0.84 -0.80 0.04 0.00 0.02 0.00 0.00 35.03 35.13 2e5o n LYS 93 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2e5o h GLN 94 N -0.09 0.51 -0.58 1.64 4.20 -1.78 -0.15 115.11 118.86 2e5o h GLN 94 Ca 0.00 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.75 2e5o h GLN 94 Cb 0.05 -0.11 -0.10 0.00 0.30 0.00 0.00 27.48 27.62 2e5o h GLN 94 CO 0.00 0.34 -0.52 0.35 -0.67 0.00 0.00 178.83 178.33 2e5o h PHE 95 N 0.52 -1.58 -0.57 2.96 3.57 0.77 0.96 116.94 123.57 2e5o h PHE 95 Ca 0.21 0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 2e5o h PHE 95 Cb 0.08 0.77 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2e5o h PHE 95 CO -0.09 -0.45 -0.08 1.57 -2.23 0.00 0.00 178.31 177.04 2e5o h LYS 96 N -0.26 1.06 -0.19 1.11 2.10 -1.65 0.67 116.57 119.40 2e5o h LYS 96 Ca 0.13 -0.38 0.05 0.00 -2.00 0.00 0.00 60.65 58.46 2e5o h LYS 96 Cb 0.55 -0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 31.74 2e5o h LYS 96 CO -0.70 1.08 -0.37 0.93 -2.00 0.00 0.00 179.45 178.38 2e5o h GLU 97 N 0.95 -0.40 0.02 0.07 5.08 0.62 0.39 114.58 121.31 2e5o h GLU 97 Ca 0.15 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2e5o h GLU 97 Cb 0.65 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2e5o h GLU 97 CO 0.04 -0.26 -0.35 1.96 -1.00 0.00 0.00 179.01 179.40 2e5o h GLN 98 N -0.41 0.04 -2.53 2.33 4.20 -0.88 -3.39 115.11 114.47 2e5o h GLN 98 Ca 0.10 -0.07 -0.71 0.00 0.06 0.00 0.00 58.65 58.04 2e5o h GLN 98 Cb 0.58 0.03 -0.35 0.00 0.30 0.00 0.00 27.48 28.04 2e5o h GLN 98 CO -0.42 1.03 0.13 1.19 -0.67 0.00 0.00 178.83 180.09 2e5o n PHE 99 N -4.50 2.96 0.45 2.96 3.01 0.23 -4.83 117.46 117.75 2e5o n PHE 99 Ca -0.15 -3.33 0.09 0.00 1.01 0.00 0.00 57.45 55.07 2e5o n PHE 99 Cb 0.57 -0.91 0.38 0.00 -0.01 0.00 0.00 39.48 39.50 2e5o n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2e5o n PRO 100 N 0.97 0.07 0.20 -1.08 -0.04 0.14 -2.30 135.00 132.96 2e5o n PRO 100 Ca 0.29 0.32 0.09 0.00 -0.04 0.00 0.00 63.50 64.17 2e5o n PRO 100 Cb 0.37 -1.64 0.24 0.00 -0.04 0.00 0.00 33.50 32.42 2e5o n PRO 100 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2e5o h ASP 101 N 0.00 0.00 0.00 3.54 5.19 -1.88 -3.23 116.42 120.04 2e5o h ASP 101 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2e5o h ASP 101 Cb 0.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2e5o h ASP 101 CO 0.00 0.19 -0.20 2.30 -3.12 0.00 0.00 179.24 178.41 2e5o n ILE 102 N -3.18 1.74 0.31 0.35 -5.35 -0.97 -4.72 119.36 107.53 2e5o n ILE 102 Ca 0.02 -2.26 0.20 0.00 -0.27 0.00 0.00 62.75 60.44 2e5o n ILE 102 Cb 0.55 -0.13 0.97 0.00 -1.74 0.00 0.00 39.64 39.29 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 0.28 0.00 0.21 7.28 4.64 -1.54 -2.26 113.55 122.16 2e5o h SER 103 Ca -0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.04 2e5o h SER 103 Cb 1.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.11 2e5o h SER 103 CO 0.00 0.02 -2.04 0.00 -0.87 0.00 0.00 176.83 173.94 2e5o n GLN 104 N -3.18 0.66 -0.34 4.77 -0.00 -1.26 -4.31 117.38 113.73 2e5o n GLN 104 Ca -0.02 0.06 0.20 0.00 -0.00 0.00 0.00 57.00 57.24 2e5o n GLN 104 Cb 0.17 -1.62 0.42 0.00 -0.00 0.00 0.00 30.24 29.21 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 0.46 -6.85 2.61 5.08 -1.73 -3.40 114.58 110.76 2e5o h GLU 105 Ca -0.36 -0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.29 2e5o h GLU 105 Cb 1.91 -0.10 -0.21 0.00 0.50 0.00 0.00 28.75 30.84 2e5o h GLU 105 CO 0.04 0.31 -0.86 0.45 -1.00 0.00 0.00 179.01 177.94 2e5o s SER 106 N -5.08 3.32 -0.03 1.42 0.15 -1.24 -4.99 113.70 107.24 2e5o s SER 106 Ca -0.10 -0.77 0.04 0.00 0.70 0.00 0.00 55.95 55.82 2e5o s SER 106 Cb 0.28 -0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2e5o s SER 106 CO 0.79 0.17 0.04 -0.67 1.20 0.00 0.00 173.24 174.77 2e5o n ASP 107 N 0.82 4.05 -4.37 5.45 -0.08 -1.26 -4.91 116.55 116.24 2e5o n ASP 107 Ca -0.17 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.78 2e5o n ASP 107 Cb 0.53 0.76 0.13 0.00 2.34 0.00 0.00 41.12 44.89 2e5o n ASP 107 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2e5o n SER 108 N -2.00 -2.23 -0.04 1.67 7.64 -1.26 -4.91 113.62 112.48 2e5o n SER 108 Ca -0.05 0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 2e5o n SER 108 Cb 0.48 -1.14 0.06 0.00 -1.01 0.00 0.00 64.21 62.60 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 -1.68 0.69 -4.66 1.43 0.13 -1.93 -3.39 132.00 122.60 2e5o h PRO 109 Ca -0.46 -0.36 -0.67 0.00 -0.87 0.00 0.00 66.00 63.64 2e5o h PRO 109 Cb 1.30 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 32.06 2e5o h PRO 109 CO 0.35 0.97 -0.68 -0.06 -0.23 0.00 0.00 178.00 178.35 2e5o s PHE 110 N -4.28 3.67 0.09 1.56 0.08 -0.93 -0.66 117.98 117.50 2e5o s PHE 110 Ca -0.09 -2.77 -0.25 0.00 0.12 0.00 0.00 56.93 53.94 2e5o s PHE 110 Cb 0.12 -2.89 -0.06 0.00 -0.57 0.00 0.00 43.02 39.61 2e5o s PHE 110 CO 0.84 -0.94 0.77 0.08 -0.10 0.00 0.00 175.22 175.88 2e5o s VAL 111 N 0.99 4.60 -0.47 -0.44 1.01 0.37 -2.63 120.40 123.83 2e5o s VAL 111 Ca 0.08 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 2e5o s VAL 111 Cb -0.20 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.15 2e5o s VAL 111 CO -0.07 0.42 0.35 -0.36 0.00 0.00 0.00 175.10 175.44 2e5o s PHE 112 N -0.43 3.34 -0.11 5.22 0.08 0.97 -0.92 117.98 126.13 2e5o s PHE 112 Ca 0.38 -1.52 -0.29 0.00 0.12 0.00 0.00 56.93 55.61 2e5o s PHE 112 Cb -0.21 -3.32 -0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2e5o s PHE 112 CO 0.24 -0.92 1.49 0.42 -0.10 0.00 0.00 175.22 176.35 2e5o s ILE 113 N 1.46 3.89 0.16 0.64 1.01 0.16 -0.74 121.20 127.78 2e5o s ILE 113 Ca 0.04 1.07 0.09 0.00 0.00 0.00 0.00 60.65 61.85 2e5o s ILE 113 Cb -0.26 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2e5o s ILE 113 CO 0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 174.94 174.65 2e5o s LYS 115 N -2.60 1.66 -1.25 0.00 -0.14 0.69 -4.51 119.74 113.59 2e5o s LYS 115 Ca 0.15 -1.85 -0.03 0.00 -1.36 0.00 0.00 55.97 52.87 2e5o s LYS 115 Cb -0.07 0.34 -0.01 0.00 -1.68 0.00 0.00 37.83 36.42 2e5o s LYS 115 CO 0.07 -0.62 0.77 0.09 -0.76 0.00 0.00 175.35 174.89 2e5o n ASN 116 N -1.20 -2.32 -4.66 2.83 3.02 -1.26 -0.33 115.26 111.35 2e5o n ASN 116 Ca 0.05 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.36 2e5o n ASN 116 Cb 0.63 -4.22 -0.03 0.00 -0.61 0.00 0.00 39.78 35.55 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 -5.74 4.19 -0.01 3.52 0.04 -1.26 -4.47 135.00 131.27 2e5o s PRO 117 Ca 0.11 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.18 2e5o s PRO 117 Cb -0.03 -3.91 -0.00 0.00 0.04 0.00 0.00 34.50 30.60 2e5o s PRO 117 CO 0.80 -0.80 -0.09 1.14 0.04 0.00 0.00 177.00 178.08 2e5o s GLN 118 N 3.86 0.84 -0.25 4.56 -2.07 -1.10 -4.60 119.66 120.90 2e5o s GLN 118 Ca 0.67 -0.33 -0.09 0.00 -1.82 0.00 0.00 55.36 53.79 2e5o s GLN 118 Cb -0.29 -0.81 -0.04 0.00 -1.09 0.00 0.00 33.01 30.78 2e5o s GLN 118 CO 0.24 0.17 0.12 -2.00 -1.32 0.00 0.00 175.29 172.51 2e5o s GLU 119 N -0.07 3.87 0.70 9.60 -6.30 -0.92 -2.13 118.70 123.44 2e5o s GLU 119 Ca 0.01 -0.37 -0.16 0.00 -2.50 0.00 0.00 54.97 51.95 2e5o s GLU 119 Cb -0.05 -3.45 0.02 0.00 0.00 0.00 0.00 34.13 30.64 2e5o s GLU 119 CO -0.00 -0.08 1.21 -1.64 0.02 0.00 0.00 175.26 174.77 2e5o s MET 120 N 1.39 2.31 0.15 4.30 -1.94 -0.17 -4.68 119.30 120.66 2e5o s MET 120 Ca 0.06 1.78 -0.06 0.00 -1.71 0.00 0.00 55.69 55.76 2e5o s MET 120 Cb -0.15 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 2e5o s MET 120 CO 0.06 -1.71 1.40 0.28 -0.01 0.00 0.00 175.02 175.04 2e5o h VAL 121 N -0.05 1.32 -4.16 -6.03 2.07 -1.72 -3.45 116.25 104.24 2e5o h VAL 121 Ca -0.48 -1.98 -0.56 0.00 0.82 0.00 0.00 66.70 64.50 2e5o h VAL 121 Cb 1.30 1.95 -0.30 0.00 -1.52 0.00 0.00 31.29 32.72 2e5o h VAL 121 CO 0.51 0.61 -0.84 0.54 0.02 0.00 0.00 177.57 178.42 2e5o s VAL 122 N -3.78 1.42 0.06 2.57 0.11 -1.26 -5.14 120.40 114.38 2e5o s VAL 122 Ca -0.08 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 2e5o s VAL 122 Cb 0.10 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2e5o s VAL 122 CO 0.87 0.40 0.15 -0.54 -3.33 0.00 0.00 175.10 172.65 2e5o s LYS 123 N -0.23 3.19 -0.02 1.54 1.02 -1.26 -4.91 119.74 119.07 2e5o s LYS 123 Ca 0.03 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.51 2e5o s LYS 123 Cb -0.09 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2e5o s LYS 123 CO 0.00 0.60 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.85 2e5o s PHE 124 N -1.43 2.76 -1.00 3.18 0.08 -1.26 -4.88 117.98 115.43 2e5o s PHE 124 Ca 0.32 -0.12 -0.24 0.00 0.12 0.00 0.00 56.93 57.01 2e5o s PHE 124 Cb -0.13 -1.60 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2e5o s PHE 124 CO 0.24 0.27 1.94 -1.25 -0.10 0.00 0.00 175.22 176.33 2e5o s PRO 125 N -1.10 2.53 0.28 0.24 0.04 -1.26 -2.31 135.00 133.41 2e5o s PRO 125 Ca 0.14 -0.59 0.11 0.00 0.04 0.00 0.00 61.00 60.70 2e5o s PRO 125 Cb -0.11 -5.12 -0.05 0.00 0.04 0.00 0.00 34.50 29.26 2e5o s PRO 125 CO 0.04 -3.59 -0.18 0.96 0.04 0.00 0.00 177.00 174.27 2e5o s ILE 126 N 10.43 2.33 -0.16 0.56 -5.25 -0.44 -4.98 121.20 123.69 2e5o s ILE 126 Ca 0.70 -2.35 -0.09 0.00 -0.99 0.00 0.00 60.65 57.91 2e5o s ILE 126 Cb -0.05 -2.31 -0.05 0.00 2.95 0.00 0.00 42.46 43.01 2e5o s ILE 126 CO 0.04 -0.40 0.15 -1.59 -1.79 0.00 0.00 174.94 171.35 2e5o s LYS 127 N -3.55 3.86 0.58 0.37 -2.85 -1.26 -3.44 119.74 113.45 2e5o s LYS 127 Ca 0.29 -0.15 0.01 0.00 -1.00 0.00 0.00 55.97 55.13 2e5o s LYS 127 Cb -0.03 -3.32 0.11 0.00 -2.06 0.00 0.00 37.83 32.53 2e5o s LYS 127 CO 0.14 0.51 0.80 0.41 0.10 0.00 0.00 175.35 177.31 2e5o n GLY 128 N 2.80 0.90 3.44 0.59 0.00 -1.26 -5.05 105.19 106.61 2e5o n GLY 128 Ca -0.17 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2e5o n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e5o s ASN 129 N -4.29 -0.54 0.00 1.61 -0.87 -1.26 -5.00 114.94 104.58 2e5o s ASN 129 Ca 0.54 0.05 0.15 0.00 -1.57 0.00 0.00 52.86 52.03 2e5o s ASN 129 Cb -0.03 0.56 0.91 0.00 -0.02 0.00 0.00 41.25 42.67 2e5o s ASN 129 CO 0.36 -0.89 1.32 -0.81 -2.57 0.00 0.00 177.10 174.51 2e5o n PRO 130 N -0.26 0.49 -3.18 -0.60 -0.04 -1.26 -4.37 135.00 125.77 2e5o n PRO 130 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 2e5o n PRO 130 Cb 0.64 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.98 0.39 -3.03 0.54 4.76 -1.26 -4.97 118.16 113.60 2e5o n LYS 131 Ca 0.11 -1.75 -0.39 0.00 -2.87 0.00 0.00 58.31 53.42 2e5o n LYS 131 Cb 0.05 1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 34.45 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 -2.58 4.43 -0.11 -0.18 1.01 -1.26 -4.62 121.20 117.89 2e5o s ILE 132 Ca 0.17 1.61 -0.05 0.00 0.00 0.00 0.00 60.65 62.38 2e5o s ILE 132 Cb 0.01 -4.09 0.05 0.00 0.01 0.00 0.00 42.46 38.44 2e5o s ILE 132 CO 0.12 0.51 0.25 -1.66 0.00 0.00 0.00 174.94 174.15 2e5o s TRP 133 N -1.17 -0.34 0.18 3.97 1.48 -1.23 -5.04 118.94 116.79 2e5o s TRP 133 Ca 0.35 0.80 -0.33 0.00 -1.06 0.00 0.00 56.10 55.86 2e5o s TRP 133 Cb -0.22 0.04 -0.13 0.00 -1.16 0.00 0.00 33.47 31.99 2e5o s TRP 133 CO 0.25 -0.24 1.61 1.17 -4.06 0.00 0.00 176.95 175.67 2e5o n LYS 134 N 4.35 2.31 -0.88 3.25 4.81 -1.26 -3.65 118.16 127.08 2e5o n LYS 134 Ca -0.23 0.83 -0.29 0.00 -0.87 0.00 0.00 58.31 57.75 2e5o n LYS 134 Cb 0.53 -2.62 0.21 0.00 0.02 0.00 0.00 35.03 33.17 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 0.91 1.33 -0.04 3.14 1.43 -1.26 -4.96 118.68 119.23 2e5o s LEU 135 Ca 0.77 1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 2e5o s LEU 135 Cb -0.63 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 2e5o s LEU 135 CO 0.37 -3.59 1.10 -0.62 0.23 0.00 0.00 176.35 173.84 2e5o s ASP 136 N -3.02 7.18 0.28 2.29 2.15 -1.26 -4.82 116.67 119.47 2e5o s ASP 136 Ca 0.67 1.74 0.16 0.00 0.43 0.00 0.00 52.55 55.55 2e5o s ASP 136 Cb -0.21 -2.56 1.02 0.00 -0.30 0.00 0.00 42.92 40.86 2e5o s ASP 136 CO 0.61 -0.46 1.20 -1.20 -0.17 0.00 0.00 175.17 175.15 2e5o n SER 137 N 4.63 0.26 -0.00 -0.34 7.64 -1.26 0.25 113.62 124.80 2e5o n SER 137 Ca 0.09 1.26 -0.17 0.00 1.01 0.00 0.00 58.87 61.05 2e5o n SER 137 Cb 0.48 -0.61 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 2e5o n SER 137 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2e5o h LYS 138 N 0.00 0.57 -0.66 1.43 6.56 -2.02 -3.26 116.57 119.19 2e5o h LYS 138 Ca 0.64 -0.53 -0.06 0.00 -1.06 0.00 0.00 60.65 59.65 2e5o h LYS 138 Cb 1.70 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 33.46 2e5o h LYS 138 CO -0.58 1.15 0.18 0.82 -2.06 0.00 0.00 179.45 178.96 2e5o h ILE 139 N 0.17 1.25 -0.17 1.86 1.08 0.30 -3.12 117.51 118.88 2e5o h ILE 139 Ca -0.07 -0.89 0.02 0.00 -0.39 0.00 0.00 64.86 63.53 2e5o h ILE 139 Cb 1.34 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 2e5o h ILE 139 CO 0.14 0.34 -0.28 -0.74 -0.69 0.00 0.00 178.15 176.92 2e5o h HIS 140 N 0.98 -0.84 -0.00 1.37 2.76 -0.45 0.25 115.15 119.22 2e5o h HIS 140 Ca 0.21 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2e5o h HIS 140 Cb 0.32 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2e5o h HIS 140 CO 0.02 -0.25 -0.08 1.96 -1.30 0.00 0.00 177.93 178.28 2e5o h GLN 141 N -0.22 -0.10 -0.85 5.26 1.08 -1.64 -1.66 115.11 116.97 2e5o h GLN 141 Ca 0.03 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 2e5o h GLN 141 Cb 0.31 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 27.63 2e5o h GLN 141 CO -0.28 -0.06 -0.34 0.41 -0.95 0.00 0.00 178.83 177.60 2e5o n GLY 142 N -1.07 -1.79 0.34 3.46 0.00 -1.15 0.15 105.19 105.13 2e5o n GLY 142 Ca -0.01 0.96 0.08 0.00 0.00 0.00 0.00 46.02 47.05 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 1.12 1.46 0.00 4.61 0.00 -0.56 0.47 119.26 126.35 2e5o h ALA 143 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2e5o h ALA 143 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2e5o h ALA 143 CO -0.84 0.07 0.00 0.87 0.00 0.00 0.00 179.25 179.34 2e5o h LYS 144 N 0.82 0.00 0.00 0.00 1.57 0.23 -3.12 116.57 116.07 2e5o h LYS 144 Ca 0.50 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.05 2e5o h LYS 144 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2e5o h LYS 144 CO -0.32 0.00 -1.25 0.87 -0.57 0.00 0.00 179.45 178.18 2e5o h LYS 145 N 0.00 0.00 -0.76 3.15 1.79 0.83 -3.36 116.57 118.22 2e5o h LYS 145 Ca 0.00 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.69 2e5o h LYS 145 Cb 0.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2e5o h LYS 145 CO 0.00 0.99 1.16 0.78 -1.08 0.00 0.00 179.45 181.31 2e5o h GLY 146 N -1.00 0.00 -2.98 3.86 0.00 -0.96 0.13 103.07 102.12 2e5o h GLY 146 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2e5o h GLY 146 CO -0.21 0.00 0.07 1.04 0.00 0.00 0.00 176.54 177.44 2e5o n LEU 147 N -3.04 5.29 -0.09 3.11 4.77 -1.25 -2.39 117.00 123.40 2e5o n LEU 147 Ca 0.17 -2.46 -0.12 0.00 -0.03 0.00 0.00 56.01 53.57 2e5o n LEU 147 Cb 1.39 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2e5o n LEU 147 CO 0.17 0.99 -1.09 1.15 -1.33 0.00 0.00 177.39 177.28 2e5o n MET 148 N 1.19 0.80 -3.74 3.23 0.00 0.44 -4.79 117.12 114.25 2e5o n MET 148 Ca 0.05 0.08 -0.28 0.00 0.00 0.00 0.00 57.70 57.55 2e5o n MET 148 Cb 0.52 -1.39 -0.11 0.00 0.00 0.00 0.00 33.22 32.24 2e5o n MET 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2e5o n LYS 149 N -2.92 1.57 -1.64 3.17 4.01 -1.24 -5.10 118.16 116.01 2e5o n LYS 149 Ca -0.32 -4.23 -0.29 0.00 -0.51 0.00 0.00 58.31 52.96 2e5o n LYS 149 Cb 0.91 -2.14 0.10 0.00 -0.51 0.00 0.00 35.03 33.39 2e5o n LYS 149 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2e5o s GLN 150 N -1.29 1.81 1.01 1.97 -1.52 -1.26 -4.58 119.66 115.81 2e5o s GLN 150 Ca 0.28 0.41 -0.21 0.00 -1.95 0.00 0.00 55.36 53.89 2e5o s GLN 150 Cb -0.00 -1.91 -0.03 0.00 -0.22 0.00 0.00 33.01 30.85 2e5o s GLN 150 CO -0.16 -1.76 -0.67 0.09 -0.25 0.00 0.00 175.29 172.54 2e5o n ASN 151 N -3.49 -2.70 -0.01 5.90 3.02 -1.26 -4.89 115.26 111.84 2e5o n ASN 151 Ca 0.07 -0.09 -0.18 0.00 -0.03 0.00 0.00 54.58 54.34 2e5o n ASN 151 Cb 0.58 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 2e5o n ASN 151 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2e5o h LYS 152 N -1.66 0.78 0.82 3.52 6.56 -2.03 -3.32 116.57 121.23 2e5o h LYS 152 Ca -0.40 -0.69 -0.04 0.00 -1.06 0.00 0.00 60.65 58.46 2e5o h LYS 152 Cb 1.21 0.16 0.01 0.00 -0.57 0.00 0.00 32.23 33.04 2e5o h LYS 152 CO 0.25 1.28 -0.39 0.00 -2.06 0.00 0.00 179.45 178.53 2e5o h ALA 153 N 0.51 -1.10 0.00 3.86 0.00 -2.04 -3.57 119.26 116.93 2e5o h ALA 153 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2e5o h ALA 153 Cb 1.49 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2e5o h ALA 153 CO 0.17 -1.10 0.00 0.28 0.00 0.00 0.00 179.25 178.61