#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 1.42 -3.67 1.61 3.41 -1.26 -4.92 113.62 110.20 2e5o n SER 2 Ca 0.00 1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 59.53 2e5o n SER 2 Cb 0.00 -0.96 -0.13 0.00 -0.26 0.00 0.00 64.21 62.87 2e5o n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e5o s SER 3 N 3.83 0.17 0.00 4.04 0.15 -1.26 -4.99 113.70 115.64 2e5o s SER 3 Ca 1.06 0.63 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2e5o s SER 3 Cb -1.38 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2e5o s SER 3 CO 0.74 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2e5o n GLY 4 N 5.13 0.31 2.59 9.45 0.00 -1.26 -4.94 105.19 116.46 2e5o n GLY 4 Ca -0.10 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 2e5o n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e5o n SER 5 N 0.00 7.03 -1.31 1.61 2.88 -1.26 -4.70 113.62 117.86 2e5o n SER 5 Ca 0.00 -3.80 -0.06 0.00 -1.33 0.00 0.00 58.87 53.68 2e5o n SER 5 Cb 0.00 -0.90 0.06 0.00 -0.75 0.00 0.00 64.21 62.62 2e5o n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e5o n SER 6 N -0.68 3.14 -3.26 -3.46 7.64 -1.26 -4.85 113.62 110.89 2e5o n SER 6 Ca 0.54 -2.44 -0.12 0.00 1.01 0.00 0.00 58.87 57.86 2e5o n SER 6 Cb 0.49 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.04 -1.18 3.74 0.23 0.00 -1.26 -4.79 105.19 101.97 2e5o n GLY 7 Ca 0.16 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.25 2.43 -0.00 1.61 0.52 -1.25 -4.23 118.94 114.76 2e5o s TRP 8 Ca 0.29 1.05 0.02 0.00 0.02 0.00 0.00 56.10 57.48 2e5o s TRP 8 Cb -0.05 -3.24 -0.01 0.00 -1.15 0.00 0.00 33.47 29.02 2e5o s TRP 8 CO 0.76 -2.38 -0.06 0.00 0.02 0.00 0.00 176.95 175.30 2e5o s LEU 10 N -0.21 1.95 0.50 0.00 2.96 0.17 -2.99 118.68 121.07 2e5o s LEU 10 Ca 0.01 -1.20 -0.22 0.00 -0.22 0.00 0.00 54.13 52.51 2e5o s LEU 10 Cb -0.03 -0.85 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 2e5o s LEU 10 CO -0.00 -0.32 1.20 -0.44 -1.32 0.00 0.00 176.35 175.46 2e5o s SER 11 N 1.64 5.84 0.12 3.68 0.01 -1.25 -3.14 113.70 120.60 2e5o s SER 11 Ca 0.01 2.38 0.04 0.00 1.31 0.00 0.00 55.95 59.69 2e5o s SER 11 Cb -0.18 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2e5o s SER 11 CO -0.13 -1.15 -0.10 -0.69 0.41 0.00 0.00 173.24 171.58 2e5o s VAL 12 N -1.54 1.05 -0.35 3.43 1.01 0.95 -4.82 120.40 120.13 2e5o s VAL 12 Ca 0.68 -1.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.56 2e5o s VAL 12 Cb -0.30 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2e5o s VAL 12 CO 0.36 -0.67 0.75 -1.00 0.00 0.00 0.00 175.10 174.54 2e5o s HIS 13 N -2.94 3.15 0.96 5.22 3.76 -1.26 -0.83 115.29 123.35 2e5o s HIS 13 Ca 0.11 0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 55.50 2e5o s HIS 13 Cb 0.00 -3.29 0.17 0.00 1.11 0.00 0.00 32.58 30.58 2e5o s HIS 13 CO 0.00 -0.66 1.12 -0.65 -0.85 0.00 0.00 174.74 173.70 2e5o s GLN 14 N 2.97 0.63 0.38 1.40 -0.21 -1.26 -2.88 119.66 120.69 2e5o s GLN 14 Ca 0.30 1.36 0.17 0.00 0.02 0.00 0.00 55.36 57.21 2e5o s GLN 14 Cb -0.14 -1.70 0.77 0.00 1.00 0.00 0.00 33.01 32.94 2e5o s GLN 14 CO 0.15 -2.83 1.80 -1.00 -2.12 0.00 0.00 175.29 171.28 2e5o h PRO 15 N -2.01 0.00 -0.52 2.91 0.13 -1.93 -3.40 132.00 127.19 2e5o h PRO 15 Ca -0.47 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 2e5o h PRO 15 Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 2e5o h PRO 15 CO 0.44 0.36 -0.16 0.91 -0.23 0.00 0.00 178.00 179.32 2e5o n TRP 16 N -3.74 0.10 -0.24 1.56 8.01 -1.16 0.08 117.44 122.06 2e5o n TRP 16 Ca -0.01 0.63 -0.06 0.00 -1.31 0.00 0.00 57.50 56.75 2e5o n TRP 16 Cb 0.45 -0.75 -0.06 0.00 -2.01 0.00 0.00 31.31 28.95 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 -3.77 -0.36 0.16 6.99 0.00 -1.14 -0.82 120.51 121.57 2e5o n ALA 17 Ca 0.07 0.48 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 2e5o n ALA 17 Cb 0.23 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.30 -0.92 0.00 0.02 -0.70 -2.78 113.55 108.87 2e5o h SER 18 Ca 0.09 -0.04 0.35 0.00 -0.84 0.00 0.00 61.79 61.35 2e5o h SER 18 Cb 0.23 0.08 -0.17 0.00 0.14 0.00 0.00 62.40 62.68 2e5o h SER 18 CO -0.53 -0.16 0.37 0.18 -1.14 0.00 0.00 176.83 175.56 2e5o n LEU 19 N -5.21 0.21 0.06 5.07 4.77 -0.00 -0.44 117.00 121.45 2e5o n LEU 19 Ca -0.10 1.53 -0.03 0.00 -0.03 0.00 0.00 56.01 57.39 2e5o n LEU 19 Cb 0.18 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2e5o n LEU 19 CO 0.34 -1.68 0.50 -0.07 -1.33 0.00 0.00 177.39 175.16 2e5o h LEU 20 N 0.00 -0.22 -0.88 2.23 4.07 -0.80 0.18 115.31 119.90 2e5o h LEU 20 Ca 0.72 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.70 2e5o h LEU 20 Cb 1.83 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.64 2e5o h LEU 20 CO -0.75 -0.12 0.01 1.33 -1.08 0.00 0.00 178.44 177.83 2e5o n VAL 21 N -2.75 1.40 0.10 1.22 0.24 -0.15 -1.35 118.33 117.03 2e5o n VAL 21 Ca -0.02 0.65 -0.23 0.00 -2.04 0.00 0.00 64.34 62.69 2e5o n VAL 21 Cb 0.08 -1.65 -0.15 0.00 -1.47 0.00 0.00 33.84 30.65 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 0.44 0.00 7.34 2.47 0.09 -3.16 114.38 121.57 2e5o h ARG 22 Ca 0.00 -0.76 0.00 0.00 -1.26 0.00 0.00 59.98 57.96 2e5o h ARG 22 Cb 0.01 0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2e5o h ARG 22 CO 0.00 1.36 0.00 0.41 0.56 0.00 0.00 179.97 182.30 2e5o n GLY 23 N 1.79 0.99 0.10 0.04 0.00 0.48 -4.94 105.19 103.64 2e5o n GLY 23 Ca -0.21 0.00 -0.17 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 1.61 -3.58 -0.61 5.03 -1.31 -3.43 117.51 115.21 2e5o h ILE 24 Ca 0.00 -2.32 -0.67 0.00 -0.12 0.00 0.00 64.86 61.76 2e5o h ILE 24 Cb 0.00 3.13 -0.17 0.00 -3.03 0.00 0.00 36.82 36.76 2e5o h ILE 24 CO 0.00 0.64 -0.09 -0.75 -0.68 0.00 0.00 178.15 177.27 2e5o s LYS 25 N -2.56 3.34 -0.13 2.37 2.47 -1.04 -4.90 119.74 119.29 2e5o s LYS 25 Ca -0.16 -0.46 0.15 0.00 -1.56 0.00 0.00 55.97 53.95 2e5o s LYS 25 Cb -0.00 -3.90 0.53 0.00 -1.46 0.00 0.00 37.83 33.00 2e5o s LYS 25 CO 0.77 -0.80 1.44 2.89 0.16 0.00 0.00 175.35 179.81 2e5o n ARG 26 N 5.79 3.22 -3.76 4.03 1.85 -1.26 -4.20 116.66 122.33 2e5o n ARG 26 Ca -0.05 -2.68 -0.13 0.00 -1.00 0.00 0.00 57.85 53.98 2e5o n ARG 26 Cb 0.48 -1.75 -0.10 0.00 -1.05 0.00 0.00 32.46 30.05 2e5o n ARG 26 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2e5o s VAL 27 N -2.21 0.02 0.10 8.89 -7.23 -1.26 -2.33 120.40 116.38 2e5o s VAL 27 Ca 0.40 -0.19 0.06 0.00 -1.81 0.00 0.00 61.98 60.45 2e5o s VAL 27 Cb 0.29 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 2e5o s VAL 27 CO 0.14 -0.10 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.05 2e5o s GLU 28 N -0.41 2.25 -0.17 4.82 2.56 -0.24 -4.90 118.70 122.60 2e5o s GLU 28 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 54.97 53.93 2e5o s GLU 28 Cb -0.04 -2.37 -0.00 0.00 2.00 0.00 0.00 34.13 33.72 2e5o s GLU 28 CO 0.02 0.51 -0.13 0.20 -0.56 0.00 0.00 175.26 175.31 2e5o s GLY 29 N -2.27 1.51 0.01 -1.50 0.00 -1.26 -1.06 107.32 102.74 2e5o s GLY 29 Ca 0.23 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 43.73 2e5o s GLY 29 CO 0.15 0.13 0.31 0.50 0.00 0.00 0.00 173.10 174.20 2e5o s ARG 30 N 0.98 0.72 -0.13 2.90 1.81 -1.20 -4.85 118.95 119.18 2e5o s ARG 30 Ca -0.02 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.73 2e5o s ARG 30 Cb -0.15 0.32 0.30 0.00 -0.45 0.00 0.00 34.95 34.97 2e5o s ARG 30 CO -0.02 -0.21 1.15 0.45 -0.68 0.00 0.00 175.30 175.98 2e5o n SER 31 N 1.02 3.06 -3.92 0.23 2.88 -1.26 -2.31 113.62 113.32 2e5o n SER 31 Ca -0.21 -2.48 -0.09 0.00 -1.33 0.00 0.00 58.87 54.77 2e5o n SER 31 Cb 0.57 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 2e5o n SER 31 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2e5o s TRP 32 N -1.55 0.23 -0.13 0.66 1.48 -1.26 -4.92 118.94 113.45 2e5o s TRP 32 Ca 0.22 -0.61 -0.09 0.00 -1.06 0.00 0.00 56.10 54.56 2e5o s TRP 32 Cb 0.18 -0.14 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 2e5o s TRP 32 CO 0.06 -0.44 0.17 -0.47 -4.06 0.00 0.00 176.95 172.20 2e5o s TYR 33 N -3.33 3.57 -0.30 1.66 6.14 -1.26 -4.59 117.35 119.24 2e5o s TYR 33 Ca 0.01 0.54 -0.02 0.00 0.64 0.00 0.00 57.07 58.24 2e5o s TYR 33 Cb 0.03 -2.03 0.10 0.00 0.42 0.00 0.00 41.96 40.48 2e5o s TYR 33 CO -0.08 0.63 0.10 -0.08 0.64 0.00 0.00 175.55 176.76 2e5o s THR 34 N -0.72 0.68 -2.00 4.34 -1.32 -1.26 -4.98 115.64 110.38 2e5o s THR 34 Ca 0.15 -1.21 0.06 0.00 -1.21 0.00 0.00 61.69 59.47 2e5o s THR 34 Cb -0.12 -1.49 0.17 0.00 -1.51 0.00 0.00 72.50 69.55 2e5o s THR 34 CO 0.04 -0.64 0.81 -0.81 -2.21 0.00 0.00 174.62 171.81 2e5o n PRO 35 N 4.94 0.49 -1.84 7.08 -0.04 -1.26 -4.73 135.00 139.64 2e5o n PRO 35 Ca -0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2e5o n PRO 35 Cb 0.42 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.56 -0.31 0.54 5.65 -1.26 -4.95 115.29 114.53 2e5o s HIS 36 Ca 0.09 0.50 -0.04 0.00 0.25 0.00 0.00 55.06 55.86 2e5o s HIS 36 Cb 0.04 -4.04 0.04 0.00 -1.18 0.00 0.00 32.58 27.44 2e5o s HIS 36 CO 0.07 -3.58 0.03 1.03 -0.65 0.00 0.00 174.74 171.65 2e5o s ARG 37 N 5.70 2.55 0.00 2.88 1.81 -1.26 -4.83 118.95 125.81 2e5o s ARG 37 Ca 0.87 -1.20 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 2e5o s ARG 37 Cb -0.28 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 30.95 2e5o s ARG 37 CO 0.34 -0.61 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 2e5o n GLY 38 N 4.70 -0.52 3.78 -3.53 0.00 -1.07 -4.84 105.19 103.71 2e5o n GLY 38 Ca -0.13 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.89 4.58 -0.22 1.61 3.52 -1.26 0.68 118.95 125.96 2e5o s ARG 39 Ca 0.00 1.23 -0.04 0.00 -0.13 0.00 0.00 55.73 56.80 2e5o s ARG 39 Cb 0.00 -3.04 0.09 0.00 -1.56 0.00 0.00 34.95 30.45 2e5o s ARG 39 CO 0.00 0.43 0.19 -1.17 -0.81 0.00 0.00 175.30 173.94 2e5o s LEU 40 N -1.61 0.06 -0.15 -0.88 2.96 -0.02 -3.93 118.68 115.10 2e5o s LEU 40 Ca 0.43 -0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 2e5o s LEU 40 Cb -0.21 0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 2e5o s LEU 40 CO 0.26 -0.36 1.44 0.26 -1.32 0.00 0.00 176.35 176.63 2e5o s TRP 41 N 2.26 2.44 -0.12 5.38 0.52 0.11 -0.01 118.94 129.52 2e5o s TRP 41 Ca 0.07 0.66 -0.18 0.00 0.02 0.00 0.00 56.10 56.67 2e5o s TRP 41 Cb -0.16 -3.74 -0.04 0.00 -1.15 0.00 0.00 33.47 28.38 2e5o s TRP 41 CO -0.19 -2.58 0.49 0.42 0.02 0.00 0.00 176.95 175.11 2e5o s ILE 42 N 4.00 5.18 0.10 2.03 -1.09 0.13 0.44 121.20 131.99 2e5o s ILE 42 Ca 0.63 0.98 0.09 0.00 -2.23 0.00 0.00 60.65 60.12 2e5o s ILE 42 Cb -0.25 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2e5o s ILE 42 CO 0.22 0.32 -0.24 0.00 -1.23 0.00 0.00 174.94 174.02 2e5o s ALA 43 N 0.66 2.04 -0.41 9.38 0.00 -1.19 -1.89 121.76 130.35 2e5o s ALA 43 Ca 0.26 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.66 2e5o s ALA 43 Cb -0.15 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2e5o s ALA 43 CO 0.11 0.45 1.01 0.00 0.00 0.00 0.00 175.76 177.33 2e5o s ALA 44 N -1.03 3.31 1.00 0.00 0.00 -0.56 -0.04 121.76 124.44 2e5o s ALA 44 Ca 0.10 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 2e5o s ALA 44 Cb -0.10 -3.69 0.10 0.00 0.00 0.00 0.00 23.12 19.43 2e5o s ALA 44 CO 0.04 -1.89 0.01 0.25 0.00 0.00 0.00 175.76 174.18 2e5o n THR 45 N 6.32 0.00 0.65 0.00 -2.24 -0.01 0.39 114.28 119.39 2e5o n THR 45 Ca 0.09 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2e5o n THR 45 Cb 0.48 -0.43 0.46 0.00 -2.10 0.00 0.00 70.33 68.75 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 -4.21 2.02 -1.77 6.98 0.00 -1.26 -2.09 120.51 120.19 2e5o n ALA 46 Ca 0.03 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2e5o n ALA 46 Cb 0.43 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.10 4.44 -0.17 0.00 2.20 -1.26 -4.79 119.74 117.06 2e5o s LYS 47 Ca 0.09 1.71 -0.07 0.00 -0.36 0.00 0.00 55.97 57.34 2e5o s LYS 47 Cb 0.13 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2e5o s LYS 47 CO 0.46 0.06 0.07 -1.59 -0.36 0.00 0.00 175.35 173.99 2e5o s LYS 48 N -1.84 3.88 0.18 4.03 -2.85 -1.26 -4.52 119.74 117.36 2e5o s LYS 48 Ca 0.50 -0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 54.85 2e5o s LYS 48 Cb -0.29 -3.20 -0.08 0.00 -2.06 0.00 0.00 37.83 32.20 2e5o s LYS 48 CO 0.37 0.35 1.32 -1.25 0.10 0.00 0.00 175.35 176.24 2e5o s PRO 49 N 0.15 4.38 0.56 1.78 0.04 -1.26 -4.99 135.00 135.66 2e5o s PRO 49 Ca 0.05 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 2e5o s PRO 49 Cb -0.12 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2e5o s PRO 49 CO 0.00 -0.28 0.95 -1.12 0.04 0.00 0.00 177.00 176.59 2e5o s SER 50 N 0.50 6.29 0.00 6.66 0.01 -1.26 -4.94 113.70 120.96 2e5o s SER 50 Ca 0.58 1.30 0.15 0.00 1.31 0.00 0.00 55.95 59.29 2e5o s SER 50 Cb -0.36 -2.41 0.84 0.00 0.21 0.00 0.00 66.02 64.30 2e5o s SER 50 CO 0.36 -0.74 1.37 -0.81 0.41 0.00 0.00 173.24 173.83 2e5o n PRO 51 N -2.43 0.35 -0.10 12.44 -0.04 -1.26 -2.42 135.00 141.54 2e5o n PRO 51 Ca 0.04 0.07 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 2e5o n PRO 51 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 2e5o n PRO 51 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2e5o n GLN 52 N -1.14 0.62 -0.12 0.54 -0.06 -1.26 -3.58 117.38 112.39 2e5o n GLN 52 Ca 0.09 0.36 -0.13 0.00 -2.00 0.00 0.00 57.00 55.33 2e5o n GLN 52 Cb 0.09 -1.63 -0.03 0.00 -4.06 0.00 0.00 30.24 24.61 2e5o n GLN 52 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2e5o h GLU 53 N -0.64 0.85 0.14 3.69 3.07 -1.93 -1.58 114.58 118.19 2e5o h GLU 53 Ca -0.50 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.36 57.93 2e5o h GLU 53 Cb 1.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.54 2e5o h GLU 53 CO -0.20 1.06 -0.07 0.28 -1.40 0.00 0.00 179.01 178.69 2e5o h VAL 54 N 0.65 0.94 -0.56 3.13 2.07 -1.69 0.37 116.25 121.15 2e5o h VAL 54 Ca 0.07 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2e5o h VAL 54 Cb 0.87 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2e5o h VAL 54 CO 0.08 0.08 0.36 -1.28 0.02 0.00 0.00 177.57 176.82 2e5o h SER 55 N -0.35 0.67 0.49 0.57 0.87 -1.61 0.13 113.55 114.32 2e5o h SER 55 Ca -0.02 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2e5o h SER 55 Cb 0.28 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2e5o h SER 55 CO 0.03 0.51 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.28 2e5o h GLU 56 N 0.76 -0.64 -0.99 2.24 5.08 -1.21 -2.89 114.58 116.95 2e5o h GLU 56 Ca 0.20 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.74 2e5o h GLU 56 Cb -0.05 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 2e5o h GLU 56 CO -0.04 -0.33 0.61 -0.07 -1.00 0.00 0.00 179.01 178.18 2e5o h LEU 57 N -0.99 0.88 -0.59 1.33 3.38 -0.23 0.41 115.31 119.50 2e5o h LEU 57 Ca -0.07 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2e5o h LEU 57 Cb 0.60 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2e5o h LEU 57 CO 0.11 0.44 0.25 1.56 0.09 0.00 0.00 178.44 180.89 2e5o h GLN 58 N 0.94 0.44 0.11 1.13 4.20 -0.71 0.20 115.11 121.41 2e5o h GLN 58 Ca 0.50 -0.03 -0.26 0.00 0.06 0.00 0.00 58.65 58.92 2e5o h GLN 58 Cb 0.55 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2e5o h GLN 58 CO -0.29 0.29 -1.19 0.00 -0.67 0.00 0.00 178.83 176.98 2e5o h ALA 59 N 1.37 0.15 0.07 3.87 0.00 -1.01 -2.54 119.26 121.16 2e5o h ALA 59 Ca 0.28 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2e5o h ALA 59 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2e5o h ALA 59 CO -0.26 0.95 -0.03 1.15 0.00 0.00 0.00 179.25 181.06 2e5o h THR 60 N 0.10 1.00 -0.42 0.00 2.02 0.33 -3.03 112.91 112.91 2e5o h THR 60 Ca -0.12 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 2e5o h THR 60 Cb 1.90 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2e5o h THR 60 CO 0.20 0.06 -0.28 1.88 0.37 0.00 0.00 175.52 177.74 2e5o h TYR 61 N -0.19 1.06 -1.14 3.16 0.05 -0.74 -2.87 116.97 116.29 2e5o h TYR 61 Ca -0.01 -0.28 0.32 0.00 0.05 0.00 0.00 58.73 58.81 2e5o h TYR 61 Cb 0.16 -0.24 -0.08 0.00 1.01 0.00 0.00 36.73 37.58 2e5o h TYR 61 CO -0.04 1.08 0.77 0.00 -1.05 0.00 0.00 178.16 178.91 2e5o h ARG 62 N 0.77 0.21 0.00 4.88 3.08 -1.34 1.30 114.38 123.27 2e5o h ARG 62 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2e5o h ARG 62 Cb 0.85 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2e5o h ARG 62 CO 0.07 0.14 -0.82 1.28 -1.07 0.00 0.00 179.97 179.57 2e5o n LEU 63 N -4.47 0.68 0.00 3.04 4.77 -1.12 0.14 117.00 120.05 2e5o n LEU 63 Ca 0.27 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.34 2e5o n LEU 63 Cb 1.09 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.92 2e5o n LEU 63 CO 0.30 -0.04 -0.35 -0.07 -1.33 0.00 0.00 177.39 175.91 2e5o h LEU 64 N 0.00 0.00 0.00 2.23 3.38 0.16 -3.40 115.31 117.67 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 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2e5o h LEU 64 CO 0.00 0.94 -0.94 0.54 0.09 0.00 0.00 178.44 179.07 2e5o n ARG 65 N -3.09 3.40 0.00 1.13 5.12 0.17 -5.08 116.66 118.32 2e5o n ARG 65 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2e5o n ARG 65 Cb 1.00 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 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 2.80 3.84 0.33 -0.13 0.00 0.19 -4.89 105.19 107.33 2e5o n GLY 66 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.65 1.61 5.09 0.93 1.08 116.57 124.62 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 -2.60 0.81 -3.29 7.07 2.03 -1.26 -4.87 116.55 114.43 2e5o n ASP 68 Ca -0.01 -2.02 -0.24 0.00 0.52 0.00 0.00 54.79 53.04 2e5o n ASP 68 Cb 0.78 -0.34 0.21 0.00 -0.72 0.00 0.00 41.12 41.05 2e5o n ASP 68 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2e5o n VAL 69 N -0.13 0.00 -4.31 5.18 0.24 0.37 -5.07 118.33 114.61 2e5o n VAL 69 Ca 0.01 -0.27 -0.26 0.00 -2.04 0.00 0.00 64.34 61.79 2e5o n VAL 69 Cb 0.19 -1.06 -0.09 0.00 -1.47 0.00 0.00 33.84 31.41 2e5o n VAL 69 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2e5o s GLU 70 N -4.89 2.13 -0.28 7.34 -1.05 -1.26 -5.12 118.70 115.57 2e5o s GLU 70 Ca 0.56 -1.94 -0.22 0.00 -0.15 0.00 0.00 54.97 53.22 2e5o s GLU 70 Cb -0.07 -1.86 0.10 0.00 -0.44 0.00 0.00 34.13 31.86 2e5o s GLU 70 CO 0.44 -0.10 0.83 -0.06 0.95 0.00 0.00 175.26 177.32 2e5o s PHE 71 N -2.64 -0.74 0.75 4.83 0.08 -1.26 -4.91 117.98 114.09 2e5o s PHE 71 Ca 0.39 1.68 -0.11 0.00 0.12 0.00 0.00 56.93 59.00 2e5o s PHE 71 Cb 0.06 0.39 0.04 0.00 -0.57 0.00 0.00 43.02 42.94 2e5o s PHE 71 CO 0.21 -0.36 1.10 -1.25 -0.10 0.00 0.00 175.22 174.81 2e5o s PRO 72 N 0.74 2.37 0.18 0.24 0.04 -1.26 -4.97 135.00 132.34 2e5o s PRO 72 Ca -0.02 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.31 2e5o s PRO 72 Cb -0.05 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2e5o s PRO 72 CO -0.08 -1.56 1.41 -0.97 0.04 0.00 0.00 177.00 175.84 2e5o h ASN 73 N -0.88 0.03 -5.48 6.66 -1.24 -2.05 -3.47 115.58 109.14 2e5o h ASN 73 Ca -0.44 -0.02 -0.25 0.00 0.71 0.00 0.00 56.30 56.30 2e5o h ASN 73 Cb 1.23 -0.01 -0.08 0.00 0.73 0.00 0.00 38.32 40.20 2e5o h ASN 73 CO 0.52 0.87 -0.17 -1.81 -1.29 0.00 0.00 177.43 175.55 2e5o s ASP 74 N -6.78 0.81 -0.34 1.15 1.11 -1.26 -5.14 116.67 106.22 2e5o s ASP 74 Ca -0.00 -1.44 -0.01 0.00 0.18 0.00 0.00 52.55 51.28 2e5o s ASP 74 Cb 0.11 0.67 0.12 0.00 1.07 0.00 0.00 42.92 44.88 2e5o s ASP 74 CO 0.80 -1.30 0.16 -0.31 1.18 0.00 0.00 175.17 175.69 2e5o s TYR 75 N -3.08 1.26 1.25 4.23 1.51 -1.26 -5.06 117.35 116.19 2e5o s TYR 75 Ca 0.29 -1.67 -0.21 0.00 -1.01 0.00 0.00 57.07 54.47 2e5o s TYR 75 Cb -0.01 -1.41 0.31 0.00 -0.11 0.00 0.00 41.96 40.75 2e5o s TYR 75 CO 0.19 -0.84 1.11 -0.35 -1.11 0.00 0.00 175.55 174.55 2e5o n PRO 76 N 4.50 -3.17 -3.82 -1.71 -0.04 -1.26 -4.80 135.00 124.69 2e5o n PRO 76 Ca 0.02 -1.77 -0.12 0.00 -0.04 0.00 0.00 63.50 61.59 2e5o n PRO 76 Cb 0.39 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 2e5o n PRO 76 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2e5o s SER 77 N -4.49 -0.13 -1.21 3.54 1.04 -1.26 -4.82 113.70 106.36 2e5o s SER 77 Ca 0.72 0.18 -0.02 0.00 0.48 0.00 0.00 55.95 57.31 2e5o s SER 77 Cb -0.07 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2e5o s SER 77 CO 0.55 -0.19 1.03 0.61 0.98 0.00 0.00 173.24 176.21 2e5o n GLY 78 N 2.35 -0.39 3.44 7.32 0.00 0.16 -4.90 105.19 113.18 2e5o n GLY 78 Ca -0.17 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.77 4.22 0.00 0.00 0.20 -1.03 -1.49 118.68 119.81 2e5o s LEU 80 Ca -0.08 1.78 0.00 0.00 0.69 0.00 0.00 54.13 56.51 2e5o s LEU 80 Cb -0.03 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 2e5o s LEU 80 CO 0.06 -0.73 0.00 0.18 -0.29 0.00 0.00 176.35 175.57 2e5o n LEU 81 N 6.25 0.20 0.00 -0.68 4.77 -0.79 -4.16 117.00 122.59 2e5o n LEU 81 Ca 0.13 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2e5o n LEU 81 Cb 0.45 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2e5o n LEU 81 CO 0.56 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2e5o n GLY 82 N 1.86 4.91 3.33 -0.72 0.00 -0.90 -1.27 105.19 112.40 2e5o n GLY 82 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.46 0.01 -0.44 0.00 -7.23 0.98 -2.87 120.40 108.40 2e5o s VAL 84 Ca -0.05 -0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 59.73 2e5o s VAL 84 Cb -0.01 -0.08 0.02 0.00 0.56 0.00 0.00 36.38 36.88 2e5o s VAL 84 CO -0.02 -0.07 0.99 -0.62 -0.31 0.00 0.00 175.10 175.07 2e5o s ASP 85 N -0.19 6.60 -0.71 4.85 -1.08 0.11 -0.84 116.67 125.40 2e5o s ASP 85 Ca -0.02 0.36 -0.26 0.00 -0.52 0.00 0.00 52.55 52.10 2e5o s ASP 85 Cb -0.02 -2.48 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 2e5o s ASP 85 CO -0.00 -1.05 1.53 -0.22 0.52 0.00 0.00 175.17 175.95 2e5o s LEU 86 N 3.88 3.23 0.02 -1.34 0.20 0.21 0.22 118.68 125.10 2e5o s LEU 86 Ca 0.41 -0.22 -0.23 0.00 0.69 0.00 0.00 54.13 54.77 2e5o s LEU 86 Cb -0.10 -2.55 -0.16 0.00 -0.43 0.00 0.00 46.19 42.95 2e5o s LEU 86 CO 0.26 -2.06 1.37 0.16 -0.29 0.00 0.00 176.35 175.79 2e5o h ILE 87 N 6.44 1.32 -2.77 6.68 -2.65 -1.18 -2.83 117.51 122.51 2e5o h ILE 87 Ca -0.23 -1.05 0.10 0.00 1.03 0.00 0.00 64.86 64.70 2e5o h ILE 87 Cb 1.09 1.85 -0.07 0.00 -2.05 0.00 0.00 36.82 37.64 2e5o h ILE 87 CO 1.26 0.29 0.31 -1.81 0.03 0.00 0.00 178.15 178.24 2e5o s ASP 88 N -5.81 -0.27 -0.29 2.16 1.01 -1.18 -4.91 116.67 107.37 2e5o s ASP 88 Ca -0.15 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 52.66 2e5o s ASP 88 Cb 0.04 0.63 0.09 0.00 1.01 0.00 0.00 42.92 44.69 2e5o s ASP 88 CO 0.71 -1.15 0.04 0.00 0.21 0.00 0.00 175.17 174.98 2e5o s LEU 90 N 1.39 3.80 0.39 0.00 1.43 0.12 -4.86 118.68 120.95 2e5o s LEU 90 Ca 0.06 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2e5o s LEU 90 Cb -0.18 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2e5o s LEU 90 CO -0.15 -0.61 0.41 -0.55 0.23 0.00 0.00 176.35 175.68 2e5o s SER 91 N -4.25 5.31 0.65 2.29 0.15 -1.26 0.11 113.70 116.70 2e5o s SER 91 Ca 0.49 -0.58 0.15 0.00 0.70 0.00 0.00 55.95 56.72 2e5o s SER 91 Cb -0.10 -0.73 0.78 0.00 -1.71 0.00 0.00 66.02 64.26 2e5o s SER 91 CO 0.33 -0.59 1.43 1.56 1.20 0.00 0.00 173.24 177.16 2e5o h GLN 92 N 0.99 0.00 0.00 5.44 1.08 -0.86 0.98 115.11 122.73 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 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2e5o h GLN 92 CO 0.55 0.00 -0.37 1.17 -0.95 0.00 0.00 178.83 179.23 2e5o n LYS 93 N -2.77 0.30 0.01 1.46 4.81 -1.26 -4.04 118.16 116.66 2e5o n LYS 93 Ca 0.01 0.40 -0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2e5o n LYS 93 Cb 0.78 -1.33 -0.07 0.00 0.02 0.00 0.00 35.03 34.43 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 -0.65 0.06 -0.74 1.64 4.20 -1.67 -0.93 115.11 117.02 2e5o h GLN 94 Ca 0.00 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.81 2e5o h GLN 94 Cb 0.37 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.01 2e5o h GLN 94 CO 0.00 0.17 -0.44 0.35 -0.67 0.00 0.00 178.83 178.25 2e5o h PHE 95 N -0.06 -1.29 -0.51 2.96 3.57 0.71 0.31 116.94 122.64 2e5o h PHE 95 Ca 0.01 0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 2e5o h PHE 95 Cb 0.13 0.67 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2e5o h PHE 95 CO -0.03 -0.41 -0.07 1.57 -2.23 0.00 0.00 178.31 177.14 2e5o h LYS 96 N -0.14 0.90 0.24 1.11 2.10 -1.67 0.74 116.57 119.85 2e5o h LYS 96 Ca 0.22 -0.30 0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2e5o h LYS 96 Cb 0.55 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.78 2e5o h LYS 96 CO -0.80 0.94 -0.29 0.93 -2.00 0.00 0.00 179.45 178.24 2e5o h GLU 97 N 0.82 -0.56 0.02 0.07 5.08 0.75 0.24 114.58 121.00 2e5o h GLU 97 Ca 0.14 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2e5o h GLU 97 Cb 0.58 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2e5o h GLU 97 CO 0.04 -0.37 -0.01 1.96 -1.00 0.00 0.00 179.01 179.63 2e5o h GLN 98 N -0.58 -0.02 -2.50 2.33 4.20 -0.52 -3.38 115.11 114.63 2e5o h GLN 98 Ca 0.00 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.01 2e5o h GLN 98 Cb 0.55 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.99 2e5o h GLN 98 CO -0.09 0.72 0.13 1.19 -0.67 0.00 0.00 178.83 180.10 2e5o n PHE 99 N -4.69 3.01 0.40 2.96 3.01 0.26 -4.82 117.46 117.59 2e5o n PHE 99 Ca -0.08 -3.33 0.11 0.00 1.01 0.00 0.00 57.45 55.16 2e5o n PHE 99 Cb 0.36 -0.90 0.48 0.00 -0.01 0.00 0.00 39.48 39.41 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 0.85 0.18 0.23 -1.08 -0.04 0.85 -2.17 135.00 133.83 2e5o n PRO 100 Ca 0.30 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 2e5o n PRO 100 Cb 0.36 -1.84 0.44 0.00 -0.04 0.00 0.00 33.50 32.43 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 3.32 -1.88 -3.14 116.42 118.27 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 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2e5o h ASP 101 CO 0.00 0.15 0.00 2.30 -1.72 0.00 0.00 179.24 179.97 2e5o n ILE 102 N -3.25 0.77 0.01 0.35 -5.35 -1.00 -4.72 119.36 106.17 2e5o n ILE 102 Ca 0.01 -0.85 0.22 0.00 -0.27 0.00 0.00 62.75 61.86 2e5o n ILE 102 Cb 0.44 0.63 0.66 0.00 -1.74 0.00 0.00 39.64 39.62 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 0.00 0.00 0.53 7.28 4.64 -1.38 0.75 113.55 125.37 2e5o h SER 103 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2e5o h SER 103 Cb 0.44 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 2e5o h SER 103 CO 0.00 0.00 -1.66 0.00 -0.87 0.00 0.00 176.83 174.30 2e5o n GLN 104 N -3.52 0.63 0.27 4.77 -0.00 -1.26 -3.95 117.38 114.32 2e5o n GLN 104 Ca 0.12 0.26 0.18 0.00 -0.00 0.00 0.00 57.00 57.56 2e5o n GLN 104 Cb 0.88 -1.78 0.92 0.00 -0.00 0.00 0.00 30.24 30.26 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 0.00 -6.19 2.61 5.08 0.21 -3.41 114.58 112.87 2e5o h GLU 105 Ca -0.26 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.54 2e5o h GLU 105 Cb 1.89 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.04 2e5o h GLU 105 CO 0.07 0.00 -0.66 -1.54 -1.00 0.00 0.00 179.01 175.88 2e5o s SER 106 N -5.20 4.41 0.00 1.42 1.04 -1.16 -4.98 113.70 109.23 2e5o s SER 106 Ca -0.04 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2e5o s SER 106 Cb 0.13 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.49 2e5o s SER 106 CO 0.43 -0.01 0.00 -0.67 0.98 0.00 0.00 173.24 173.97 2e5o n ASP 107 N -0.87 1.20 -4.59 7.02 -0.08 -1.26 -4.96 116.55 113.00 2e5o n ASP 107 Ca -0.06 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.93 2e5o n ASP 107 Cb 0.59 0.09 0.21 0.00 2.34 0.00 0.00 41.12 44.35 2e5o n ASP 107 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2e5o s SER 108 N -2.06 2.02 0.06 1.67 0.01 -1.26 -4.96 113.70 109.17 2e5o s SER 108 Ca 0.00 1.74 -0.19 0.00 1.31 0.00 0.00 55.95 58.81 2e5o s SER 108 Cb 0.00 -2.37 -0.13 0.00 0.21 0.00 0.00 66.02 63.73 2e5o s SER 108 CO 0.00 -3.59 1.37 1.55 0.41 0.00 0.00 173.24 172.97 2e5o h PRO 109 N -2.20 0.46 -4.24 12.44 0.13 -1.94 -3.40 132.00 133.25 2e5o h PRO 109 Ca -0.53 -0.25 -0.71 0.00 -0.87 0.00 0.00 66.00 63.64 2e5o h PRO 109 Cb 1.30 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.12 2e5o h PRO 109 CO 0.48 0.82 -0.44 -0.06 -0.23 0.00 0.00 178.00 178.57 2e5o s PHE 110 N -4.31 3.51 0.18 1.56 0.08 -0.98 -0.31 117.98 117.72 2e5o s PHE 110 Ca -0.14 -2.28 -0.26 0.00 0.12 0.00 0.00 56.93 54.37 2e5o s PHE 110 Cb 0.06 -3.33 -0.08 0.00 -0.57 0.00 0.00 43.02 39.10 2e5o s PHE 110 CO 0.78 -0.96 0.81 0.08 -0.10 0.00 0.00 175.22 175.82 2e5o s VAL 111 N 0.97 4.32 -0.35 -0.44 1.01 0.29 -3.26 120.40 122.94 2e5o s VAL 111 Ca 0.09 1.76 -0.08 0.00 0.00 0.00 0.00 61.98 63.75 2e5o s VAL 111 Cb -0.23 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2e5o s VAL 111 CO -0.03 0.50 0.14 -0.36 0.00 0.00 0.00 175.10 175.35 2e5o s PHE 112 N -1.18 3.24 -0.14 5.22 0.08 -0.23 -0.70 117.98 124.27 2e5o s PHE 112 Ca 0.37 -1.21 -0.29 0.00 0.12 0.00 0.00 56.93 55.91 2e5o s PHE 112 Cb -0.23 -2.33 -0.01 0.00 -0.57 0.00 0.00 43.02 39.87 2e5o s PHE 112 CO 0.27 -0.69 1.16 0.42 -0.10 0.00 0.00 175.22 176.28 2e5o s ILE 113 N 1.47 4.45 0.16 0.64 1.01 0.22 -1.08 121.20 128.06 2e5o s ILE 113 Ca 0.00 1.75 0.09 0.00 0.00 0.00 0.00 60.65 62.48 2e5o s ILE 113 Cb -0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2e5o s ILE 113 CO 0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 174.94 174.70 2e5o s LYS 115 N -2.74 1.63 -1.20 0.00 -0.14 0.13 -4.68 119.74 112.75 2e5o s LYS 115 Ca 0.15 -1.83 -0.03 0.00 -1.36 0.00 0.00 55.97 52.90 2e5o s LYS 115 Cb -0.06 0.34 -0.01 0.00 -1.68 0.00 0.00 37.83 36.42 2e5o s LYS 115 CO 0.06 -0.61 0.88 0.09 -0.76 0.00 0.00 175.35 175.02 2e5o n ASN 116 N -1.14 -2.91 -4.64 2.83 3.02 -1.26 0.06 115.26 111.21 2e5o n ASN 116 Ca 0.04 -0.72 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 2e5o n ASN 116 Cb 0.63 -4.71 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 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 -5.39 3.99 -0.01 3.52 0.04 -1.26 -4.47 135.00 131.42 2e5o s PRO 117 Ca 0.12 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2e5o s PRO 117 Cb -0.02 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 2e5o s PRO 117 CO 0.77 -1.05 -0.09 1.14 0.04 0.00 0.00 177.00 177.80 2e5o s GLN 118 N 4.27 0.76 -0.23 4.56 -2.07 -1.14 -4.73 119.66 121.08 2e5o s GLN 118 Ca 0.69 -0.31 -0.09 0.00 -1.82 0.00 0.00 55.36 53.83 2e5o s GLN 118 Cb -0.27 -0.73 -0.05 0.00 -1.09 0.00 0.00 33.01 30.88 2e5o s GLN 118 CO 0.27 0.17 0.13 -2.00 -1.32 0.00 0.00 175.29 172.54 2e5o s GLU 119 N -0.12 4.01 0.59 9.60 -6.30 -1.20 -2.22 118.70 123.07 2e5o s GLU 119 Ca 0.02 -0.31 -0.18 0.00 -2.50 0.00 0.00 54.97 52.00 2e5o s GLU 119 Cb -0.05 -3.45 -0.03 0.00 0.00 0.00 0.00 34.13 30.61 2e5o s GLU 119 CO -0.00 0.08 1.17 -1.64 0.02 0.00 0.00 175.26 174.89 2e5o s MET 120 N 0.97 3.01 0.20 4.30 -1.94 -0.40 -4.64 119.30 120.81 2e5o s MET 120 Ca 0.06 1.70 0.07 0.00 -1.71 0.00 0.00 55.69 55.81 2e5o s MET 120 Cb -0.13 -1.95 0.11 0.00 2.01 0.00 0.00 34.83 34.87 2e5o s MET 120 CO 0.03 -1.14 1.46 0.28 -0.01 0.00 0.00 175.02 175.64 2e5o h VAL 121 N 0.80 1.52 -4.12 -6.03 2.07 -1.69 -3.45 116.25 105.35 2e5o h VAL 121 Ca -0.50 -2.56 -0.61 0.00 0.82 0.00 0.00 66.70 63.86 2e5o h VAL 121 Cb 1.28 2.39 -0.25 0.00 -1.52 0.00 0.00 31.29 33.19 2e5o h VAL 121 CO 0.55 0.74 -0.85 0.54 0.02 0.00 0.00 177.57 178.57 2e5o s VAL 122 N -3.30 1.82 0.10 2.57 0.11 -1.26 -5.11 120.40 115.33 2e5o s VAL 122 Ca -0.01 -1.36 0.07 0.00 -2.93 0.00 0.00 61.98 57.74 2e5o s VAL 122 Cb 0.11 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 2e5o s VAL 122 CO 0.80 0.17 -0.10 -0.54 -3.33 0.00 0.00 175.10 172.10 2e5o s LYS 123 N -1.43 2.16 -0.03 1.54 -0.14 -1.26 -4.90 119.74 115.68 2e5o s LYS 123 Ca 0.09 -1.00 0.05 0.00 -1.36 0.00 0.00 55.97 53.75 2e5o s LYS 123 Cb -0.09 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 2e5o s LYS 123 CO 0.03 0.51 -0.16 -0.06 -0.76 0.00 0.00 175.35 174.91 2e5o s PHE 124 N -1.20 2.63 -1.06 3.18 0.08 -1.26 -4.90 117.98 115.46 2e5o s PHE 124 Ca 0.21 -0.21 -0.23 0.00 0.12 0.00 0.00 56.93 56.82 2e5o s PHE 124 Cb -0.11 -1.58 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2e5o s PHE 124 CO 0.13 0.17 1.94 -1.25 -0.10 0.00 0.00 175.22 176.11 2e5o s PRO 125 N -0.87 2.53 0.25 0.24 0.04 -1.26 -2.47 135.00 133.47 2e5o s PRO 125 Ca 0.12 -0.79 0.10 0.00 0.04 0.00 0.00 61.00 60.48 2e5o s PRO 125 Cb -0.11 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.22 2e5o s PRO 125 CO 0.01 -3.70 -0.08 0.96 0.04 0.00 0.00 177.00 174.23 2e5o s ILE 126 N 10.56 3.13 -0.23 0.56 -5.25 -0.98 -4.98 121.20 124.00 2e5o s ILE 126 Ca 0.69 -1.99 -0.19 0.00 -0.99 0.00 0.00 60.65 58.17 2e5o s ILE 126 Cb -0.03 -2.64 -0.03 0.00 2.95 0.00 0.00 42.46 42.71 2e5o s ILE 126 CO 0.07 -0.33 0.54 -0.54 -1.79 0.00 0.00 174.94 172.90 2e5o s LYS 127 N -3.45 4.13 0.66 0.37 -0.14 -1.26 -3.59 119.74 116.47 2e5o s LYS 127 Ca 0.30 0.41 -0.14 0.00 -1.36 0.00 0.00 55.97 55.18 2e5o s LYS 127 Cb -0.07 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 2e5o s LYS 127 CO 0.18 -0.28 1.10 0.20 -0.76 0.00 0.00 175.35 175.79 2e5o s GLY 128 N 1.36 2.07 0.05 -3.33 0.00 -1.26 -5.04 107.32 101.17 2e5o s GLY 128 Ca 0.24 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 2e5o s GLY 128 CO 0.09 0.81 0.26 -1.31 0.00 0.00 0.00 173.10 172.96 2e5o s ASN 129 N -2.77 -0.05 -0.02 1.64 -0.87 -1.26 -4.88 114.94 106.74 2e5o s ASN 129 Ca 0.65 -0.32 -0.25 0.00 -1.57 0.00 0.00 52.86 51.37 2e5o s ASN 129 Cb -0.19 0.34 -0.19 0.00 -0.02 0.00 0.00 41.25 41.19 2e5o s ASN 129 CO 0.43 -0.63 1.21 1.55 -2.57 0.00 0.00 177.10 177.09 2e5o h PRO 130 N 3.15 -0.08 0.00 -0.60 0.13 -1.98 -3.31 132.00 129.32 2e5o h PRO 130 Ca -0.32 0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 2e5o h PRO 130 Cb 1.20 0.02 0.06 0.00 0.13 0.00 0.00 31.00 32.41 2e5o h PRO 130 CO 0.48 0.38 0.12 1.63 -0.23 0.00 0.00 178.00 180.39 2e5o n LYS 131 N -4.90 -0.14 -2.93 0.86 4.76 -1.26 -4.81 118.16 109.74 2e5o n LYS 131 Ca -0.08 -1.12 -0.38 0.00 -2.87 0.00 0.00 58.31 53.85 2e5o n LYS 131 Cb 0.25 -0.46 -0.06 0.00 -1.84 0.00 0.00 35.03 32.92 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 -1.80 4.33 -0.12 -0.18 1.01 -1.26 -4.63 121.20 118.54 2e5o s ILE 132 Ca 0.33 1.71 -0.05 0.00 0.00 0.00 0.00 60.65 62.63 2e5o s ILE 132 Cb -0.01 -4.09 0.06 0.00 0.01 0.00 0.00 42.46 38.42 2e5o s ILE 132 CO 0.22 0.39 0.26 -1.66 0.00 0.00 0.00 174.94 174.16 2e5o s TRP 133 N -1.31 -0.39 0.13 3.97 1.48 -1.16 -5.04 118.94 116.61 2e5o s TRP 133 Ca 0.40 0.91 -0.34 0.00 -1.06 0.00 0.00 56.10 56.02 2e5o s TRP 133 Cb -0.22 0.00 -0.13 0.00 -1.16 0.00 0.00 33.47 31.97 2e5o s TRP 133 CO 0.26 -0.31 1.65 1.17 -4.06 0.00 0.00 176.95 175.66 2e5o n LYS 134 N 4.91 2.27 -0.67 3.25 4.81 -1.26 -3.53 118.16 127.93 2e5o n LYS 134 Ca -0.14 0.82 -0.28 0.00 -0.87 0.00 0.00 58.31 57.84 2e5o n LYS 134 Cb 0.51 -2.62 0.24 0.00 0.02 0.00 0.00 35.03 33.19 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 1.50 0.86 0.00 3.14 1.43 -1.26 -4.94 118.68 119.41 2e5o s LEU 135 Ca 0.80 1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 2e5o s LEU 135 Cb -0.65 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2e5o s LEU 135 CO 0.39 -4.07 1.19 -0.62 0.23 0.00 0.00 176.35 173.47 2e5o s ASP 136 N -2.72 7.08 0.30 2.29 2.15 -1.26 -4.81 116.67 119.71 2e5o s ASP 136 Ca 0.68 1.90 0.16 0.00 0.43 0.00 0.00 52.55 55.72 2e5o s ASP 136 Cb -0.24 -2.57 1.08 0.00 -0.30 0.00 0.00 42.92 40.89 2e5o s ASP 136 CO 0.63 -0.51 1.30 -1.20 -0.17 0.00 0.00 175.17 175.22 2e5o n SER 137 N 4.55 0.26 -0.02 -0.34 7.64 -1.26 0.24 113.62 124.69 2e5o n SER 137 Ca 0.10 1.37 -0.17 0.00 1.01 0.00 0.00 58.87 61.18 2e5o n SER 137 Cb 0.47 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.72 -0.39 1.43 6.56 -2.02 -3.28 116.57 119.59 2e5o h LYS 138 Ca 0.69 -0.59 -0.04 0.00 -1.06 0.00 0.00 60.65 59.64 2e5o h LYS 138 Cb 1.80 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 33.56 2e5o h LYS 138 CO -0.64 1.21 0.07 0.82 -2.06 0.00 0.00 179.45 178.84 2e5o h ILE 139 N 0.43 1.24 -0.67 1.86 1.08 0.27 -3.19 117.51 118.53 2e5o h ILE 139 Ca -0.05 -0.84 0.06 0.00 -0.39 0.00 0.00 64.86 63.64 2e5o h ILE 139 Cb 1.34 1.03 -0.08 0.00 -3.07 0.00 0.00 36.82 36.05 2e5o h ILE 139 CO 0.15 0.29 -0.39 1.57 -0.69 0.00 0.00 178.15 179.07 2e5o n HIS 140 N -4.54 -0.29 0.05 1.37 -0.00 0.90 -0.95 115.22 111.76 2e5o n HIS 140 Ca -0.01 0.83 -0.04 0.00 0.46 0.00 0.00 57.72 58.96 2e5o n HIS 140 Cb 0.22 -0.54 -0.02 0.00 -0.12 0.00 0.00 29.99 29.53 2e5o n HIS 140 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2e5o h GLN 141 N 0.00 -0.21 -0.75 1.57 4.20 -1.67 -2.43 115.11 115.82 2e5o h GLN 141 Ca 0.11 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.04 2e5o h GLN 141 Cb 0.27 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 27.96 2e5o h GLN 141 CO -0.63 -0.14 0.02 0.41 -0.67 0.00 0.00 178.83 177.82 2e5o n GLY 142 N -1.13 -1.01 0.10 3.46 0.00 -0.79 0.13 105.19 105.95 2e5o n GLY 142 Ca -0.03 0.73 -0.09 0.00 0.00 0.00 0.00 46.02 46.63 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 1.49 0.18 -0.10 4.61 0.00 -0.59 -0.60 119.26 124.25 2e5o h ALA 143 Ca 0.45 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.43 2e5o h ALA 143 Cb 0.94 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2e5o h ALA 143 CO -0.70 -0.41 0.09 0.87 0.00 0.00 0.00 179.25 179.10 2e5o h LYS 144 N 0.10 0.00 0.00 0.00 1.57 0.16 -2.46 116.57 115.94 2e5o h LYS 144 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2e5o h LYS 144 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2e5o h LYS 144 CO -0.11 0.00 -0.06 0.87 -0.57 0.00 0.00 179.45 179.58 2e5o h LYS 145 N 0.00 0.04 -0.48 3.15 1.79 -0.35 -3.24 116.57 117.48 2e5o h LYS 145 Ca 0.05 -0.05 0.14 0.00 -2.18 0.00 0.00 60.65 58.61 2e5o h LYS 145 Cb 0.22 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2e5o h LYS 145 CO -0.00 0.85 0.98 0.78 -1.08 0.00 0.00 179.45 180.98 2e5o h GLY 146 N -0.75 0.00 -2.96 3.86 0.00 -0.66 0.34 103.07 102.90 2e5o h GLY 146 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2e5o h GLY 146 CO 0.01 0.00 0.22 1.04 0.00 0.00 0.00 176.54 177.82 2e5o n LEU 147 N -2.96 5.14 -0.09 3.11 4.77 -1.22 -2.05 117.00 123.69 2e5o n LEU 147 Ca 0.10 -2.56 -0.16 0.00 -0.03 0.00 0.00 56.01 53.36 2e5o n LEU 147 Cb 1.14 -0.86 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2e5o n LEU 147 CO 0.14 0.92 -1.12 1.15 -1.33 0.00 0.00 177.39 177.15 2e5o n MET 148 N 0.45 0.68 -3.47 3.23 0.00 0.12 -4.74 117.12 113.38 2e5o n MET 148 Ca 0.18 0.15 -0.27 0.00 0.00 0.00 0.00 57.70 57.76 2e5o n MET 148 Cb 0.68 -1.58 -0.10 0.00 0.00 0.00 0.00 33.22 32.22 2e5o n MET 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2e5o n LYS 149 N -3.17 0.79 -1.24 3.17 4.81 -1.25 -5.12 118.16 116.14 2e5o n LYS 149 Ca -0.38 -3.57 -0.29 0.00 -0.87 0.00 0.00 58.31 53.20 2e5o n LYS 149 Cb 1.04 -1.77 0.19 0.00 0.02 0.00 0.00 35.03 34.52 2e5o n LYS 149 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2e5o s GLN 150 N -0.65 -0.01 0.80 1.64 -1.52 -1.26 -4.68 119.66 113.98 2e5o s GLN 150 Ca 0.32 0.23 -0.11 0.00 -1.95 0.00 0.00 55.36 53.85 2e5o s GLN 150 Cb 0.05 -1.71 0.07 0.00 -0.22 0.00 0.00 33.01 31.20 2e5o s GLN 150 CO -0.17 -2.97 1.09 0.54 -0.25 0.00 0.00 175.29 173.54 2e5o s ASN 151 N -3.76 4.29 0.12 5.90 2.20 -1.26 -4.89 114.94 117.54 2e5o s ASN 151 Ca 0.67 1.69 -0.28 0.00 -0.94 0.00 0.00 52.86 54.01 2e5o s ASN 151 Cb -0.14 -2.40 -0.08 0.00 -2.00 0.00 0.00 41.25 36.62 2e5o s ASN 151 CO 0.56 -2.15 1.47 0.50 -2.94 0.00 0.00 177.10 174.54 2e5o h LYS 152 N -1.21 -0.22 -0.70 3.55 3.11 -2.03 0.08 116.57 119.15 2e5o h LYS 152 Ca -0.45 0.01 0.16 0.00 -2.81 0.00 0.00 60.65 57.56 2e5o h LYS 152 Cb 1.25 0.05 -0.13 0.00 -1.00 0.00 0.00 32.23 32.39 2e5o h LYS 152 CO 0.53 -0.15 -0.12 0.00 -2.81 0.00 0.00 179.45 176.91 2e5o n ALA 153 N -3.09 0.23 1.22 5.00 0.00 -1.26 -5.27 120.51 117.33 2e5o n ALA 153 Ca -0.01 0.77 0.13 0.00 0.00 0.00 0.00 53.44 54.32 2e5o n ALA 153 Cb 0.27 -0.49 0.28 0.00 0.00 0.00 0.00 19.45 19.51 2e5o n ALA 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78