#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5o s SER 2 N 0.00 5.00 -0.09 1.61 0.15 -1.26 -5.06 113.70 114.06 2e5o s SER 2 Ca 0.00 1.75 0.04 0.00 0.70 0.00 0.00 55.95 58.44 2e5o s SER 2 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2e5o s SER 2 CO 0.00 -1.70 -0.22 -0.55 1.20 0.00 0.00 173.24 171.97 2e5o s SER 3 N -3.47 2.81 -0.30 5.45 0.15 -1.26 -5.09 113.70 111.99 2e5o s SER 3 Ca 0.60 -0.50 -0.15 0.00 0.70 0.00 0.00 55.95 56.61 2e5o s SER 3 Cb -0.16 -1.24 0.18 0.00 -1.71 0.00 0.00 66.02 63.09 2e5o s SER 3 CO 0.53 0.14 1.10 -0.83 1.20 0.00 0.00 173.24 175.39 2e5o s GLY 4 N 0.36 -0.23 0.26 9.45 0.00 -1.26 -5.15 107.32 110.75 2e5o s GLY 4 Ca -0.17 2.94 -0.30 0.00 0.00 0.00 0.00 44.72 47.20 2e5o s GLY 4 CO 0.07 3.78 0.99 -1.35 0.00 0.00 0.00 173.10 176.59 2e5o s SER 5 N 2.86 7.51 -0.20 1.64 1.04 -1.26 -4.95 113.70 120.35 2e5o s SER 5 Ca -0.03 2.04 0.14 0.00 0.48 0.00 0.00 55.95 58.58 2e5o s SER 5 Cb -0.09 -2.61 0.76 0.00 0.10 0.00 0.00 66.02 64.17 2e5o s SER 5 CO -0.11 0.05 1.66 -1.20 0.98 0.00 0.00 173.24 174.62 2e5o n SER 6 N 1.35 5.28 -1.91 7.02 7.64 -1.26 -4.93 113.62 126.79 2e5o n SER 6 Ca -0.02 -2.78 -0.01 0.00 1.01 0.00 0.00 58.87 57.07 2e5o n SER 6 Cb 0.46 -0.65 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.70 -0.21 3.90 0.23 0.00 -1.26 -4.88 105.19 103.67 2e5o n GLY 7 Ca 0.26 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.04 3.32 -0.06 1.61 0.52 -1.26 -3.86 118.94 116.18 2e5o s TRP 8 Ca 0.04 0.88 -0.07 0.00 0.02 0.00 0.00 56.10 56.96 2e5o s TRP 8 Cb -0.01 -2.87 0.02 0.00 -1.15 0.00 0.00 33.47 29.46 2e5o s TRP 8 CO 0.19 -0.96 0.19 0.00 0.02 0.00 0.00 176.95 176.40 2e5o s LEU 10 N -0.26 1.45 0.49 0.00 2.96 0.20 -2.94 118.68 120.59 2e5o s LEU 10 Ca -0.04 -0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 52.99 2e5o s LEU 10 Cb -0.03 -0.80 -0.07 0.00 0.50 0.00 0.00 46.19 45.80 2e5o s LEU 10 CO 0.01 -0.22 1.16 -0.44 -1.32 0.00 0.00 176.35 175.54 2e5o s SER 11 N 1.71 6.02 0.11 3.68 0.01 -1.26 -3.31 113.70 120.66 2e5o s SER 11 Ca 0.00 2.27 0.06 0.00 1.31 0.00 0.00 55.95 59.59 2e5o s SER 11 Cb -0.16 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2e5o s SER 11 CO -0.07 -1.02 -0.14 -0.69 0.41 0.00 0.00 173.24 171.73 2e5o s VAL 12 N -1.61 1.28 -0.24 3.43 1.01 0.11 -4.80 120.40 119.57 2e5o s VAL 12 Ca 0.66 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 2e5o s VAL 12 Cb -0.27 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2e5o s VAL 12 CO 0.33 -0.41 0.76 -1.00 0.00 0.00 0.00 175.10 174.78 2e5o s HIS 13 N -2.07 3.30 0.90 5.22 3.76 -1.26 -0.79 115.29 124.36 2e5o s HIS 13 Ca 0.07 1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 55.90 2e5o s HIS 13 Cb -0.05 -2.97 0.14 0.00 1.11 0.00 0.00 32.58 30.80 2e5o s HIS 13 CO 0.03 -0.37 1.11 -0.65 -0.85 0.00 0.00 174.74 174.01 2e5o s GLN 14 N 2.69 1.16 0.31 1.40 -0.21 -1.26 -2.64 119.66 121.13 2e5o s GLN 14 Ca 0.32 1.28 0.10 0.00 0.02 0.00 0.00 55.36 57.09 2e5o s GLN 14 Cb -0.15 -1.76 0.51 0.00 1.00 0.00 0.00 33.01 32.61 2e5o s GLN 14 CO 0.08 -2.44 1.71 -1.00 -2.12 0.00 0.00 175.29 171.52 2e5o h PRO 15 N -1.72 0.05 -0.34 2.91 0.13 -1.92 -3.39 132.00 127.72 2e5o h PRO 15 Ca -0.46 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2e5o h PRO 15 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 2e5o h PRO 15 CO 0.47 0.53 -0.14 0.91 -0.23 0.00 0.00 178.00 179.53 2e5o n TRP 16 N -3.96 -0.00 -0.14 1.56 8.01 -1.17 0.15 117.44 121.89 2e5o n TRP 16 Ca -0.02 0.42 -0.04 0.00 -1.31 0.00 0.00 57.50 56.56 2e5o n TRP 16 Cb 0.51 -0.62 -0.03 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 -3.81 -0.22 -0.11 6.99 0.00 -1.08 0.14 120.51 122.41 2e5o n ALA 17 Ca 0.03 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 2e5o n ALA 17 Cb 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 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 0.47 -1.46 0.00 0.02 -0.64 -2.47 113.55 109.47 2e5o h SER 18 Ca 0.05 -0.16 0.42 0.00 -0.84 0.00 0.00 61.79 61.27 2e5o h SER 18 Cb 0.14 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 2e5o h SER 18 CO -0.32 0.50 1.04 -0.07 -1.14 0.00 0.00 176.83 176.85 2e5o h LEU 19 N 0.42 0.02 0.03 5.07 3.38 0.16 0.19 115.31 124.58 2e5o h LEU 19 Ca 0.12 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2e5o h LEU 19 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2e5o h LEU 19 CO -0.01 -0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.43 2e5o h LEU 20 N 0.01 -0.03 -1.42 1.67 4.07 -0.50 0.16 115.31 119.27 2e5o h LEU 20 Ca 0.70 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.66 2e5o h LEU 20 Cb 2.77 0.01 0.00 0.00 1.08 0.00 0.00 40.66 44.52 2e5o h LEU 20 CO -0.03 -0.01 0.11 -0.37 -1.08 0.00 0.00 178.44 177.05 2e5o h VAL 21 N -0.06 0.00 0.21 1.22 -1.51 -1.40 -0.33 116.25 114.39 2e5o h VAL 21 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.14 2e5o h VAL 21 Cb 0.03 0.47 0.03 0.00 -2.13 0.00 0.00 31.29 29.70 2e5o h VAL 21 CO 0.01 0.00 -1.40 0.03 -1.23 0.00 0.00 177.57 174.97 2e5o h ARG 22 N 0.00 0.55 0.00 5.19 2.47 -0.64 -3.23 114.38 118.72 2e5o h ARG 22 Ca 0.00 -0.87 0.00 0.00 -1.26 0.00 0.00 59.98 57.85 2e5o h ARG 22 Cb 0.21 0.32 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2e5o h ARG 22 CO 0.00 1.41 0.00 0.41 0.56 0.00 0.00 179.97 182.35 2e5o n GLY 23 N 1.61 1.13 0.12 0.04 0.00 -0.13 -4.95 105.19 103.01 2e5o n GLY 23 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 0.50 -3.58 -0.61 5.03 -0.99 -3.43 117.51 114.43 2e5o h ILE 24 Ca 0.00 -1.15 -0.59 0.00 -0.12 0.00 0.00 64.86 63.00 2e5o h ILE 24 Cb 0.00 0.89 -0.09 0.00 -3.03 0.00 0.00 36.82 34.58 2e5o h ILE 24 CO 0.00 0.15 0.63 -0.75 -0.68 0.00 0.00 178.15 177.50 2e5o s LYS 25 N -2.53 3.71 -0.19 2.37 2.47 0.13 -4.88 119.74 120.82 2e5o s LYS 25 Ca -0.08 0.42 0.16 0.00 -1.56 0.00 0.00 55.97 54.91 2e5o s LYS 25 Cb -0.00 -3.86 0.56 0.00 -1.46 0.00 0.00 37.83 33.07 2e5o s LYS 25 CO 0.28 -1.10 1.46 2.89 0.16 0.00 0.00 175.35 179.04 2e5o n ARG 26 N 7.03 3.09 -3.75 4.03 1.85 -1.26 -4.16 116.66 123.49 2e5o n ARG 26 Ca 0.07 -2.89 -0.13 0.00 -1.00 0.00 0.00 57.85 53.90 2e5o n ARG 26 Cb 0.48 -1.89 -0.09 0.00 -1.05 0.00 0.00 32.46 29.91 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 -2.84 0.03 0.03 8.89 -7.23 -1.26 -2.56 120.40 115.47 2e5o s VAL 27 Ca 0.44 -0.27 0.03 0.00 -1.81 0.00 0.00 61.98 60.37 2e5o s VAL 27 Cb 0.35 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 2e5o s VAL 27 CO 0.09 -0.15 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.01 2e5o s GLU 28 N -0.71 2.62 -0.23 4.82 2.56 0.18 -4.91 118.70 123.03 2e5o s GLU 28 Ca -0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 54.97 54.11 2e5o s GLU 28 Cb -0.04 -2.57 -0.01 0.00 2.00 0.00 0.00 34.13 33.51 2e5o s GLU 28 CO 0.03 0.59 -0.01 0.20 -0.56 0.00 0.00 175.26 175.50 2e5o s GLY 29 N -1.80 1.65 -0.06 -1.50 0.00 -1.26 -1.34 107.32 103.00 2e5o s GLY 29 Ca 0.21 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.64 2e5o s GLY 29 CO 0.12 0.46 0.30 0.50 0.00 0.00 0.00 173.10 174.48 2e5o s ARG 30 N 1.51 0.52 -0.03 2.90 1.81 -1.22 -4.99 118.95 119.45 2e5o s ARG 30 Ca 0.06 0.08 0.03 0.00 -1.72 0.00 0.00 55.73 54.18 2e5o s ARG 30 Cb -0.14 0.24 0.13 0.00 -0.45 0.00 0.00 34.95 34.72 2e5o s ARG 30 CO -0.02 -0.12 0.80 -1.13 -0.68 0.00 0.00 175.30 174.15 2e5o n SER 31 N 2.03 1.53 -4.13 0.23 3.41 -1.26 -2.73 113.62 112.70 2e5o n SER 31 Ca -0.18 -2.12 -0.09 0.00 -0.26 0.00 0.00 58.87 56.22 2e5o n SER 31 Cb 0.57 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.42 0.76 -0.00 7.33 1.48 -1.26 -4.87 118.94 120.96 2e5o s TRP 32 Ca 0.09 -1.17 -0.00 0.00 -1.06 0.00 0.00 56.10 53.96 2e5o s TRP 32 Cb 0.06 -0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 31.88 2e5o s TRP 32 CO 0.03 -0.46 0.07 -0.47 -4.06 0.00 0.00 176.95 172.06 2e5o s TYR 33 N -3.99 3.25 -0.21 1.66 6.14 -1.26 -4.53 117.35 118.40 2e5o s TYR 33 Ca 0.18 0.18 -0.04 0.00 0.64 0.00 0.00 57.07 58.03 2e5o s TYR 33 Cb 0.08 -1.72 0.07 0.00 0.42 0.00 0.00 41.96 40.80 2e5o s TYR 33 CO -0.02 0.54 0.09 -0.08 0.64 0.00 0.00 175.55 176.72 2e5o s THR 34 N -1.18 0.06 -2.00 4.34 -1.32 -1.26 -4.99 115.64 109.29 2e5o s THR 34 Ca 0.22 -0.44 0.10 0.00 -1.21 0.00 0.00 61.69 60.36 2e5o s THR 34 Cb -0.12 -0.80 0.27 0.00 -1.51 0.00 0.00 72.50 70.34 2e5o s THR 34 CO 0.13 -0.40 1.01 -0.81 -2.21 0.00 0.00 174.62 172.34 2e5o n PRO 35 N 5.22 0.49 -1.89 7.08 -0.04 -1.26 -4.73 135.00 139.86 2e5o n PRO 35 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 2e5o n PRO 35 Cb 0.47 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.68 -0.20 0.54 5.65 -1.26 -4.97 115.29 114.73 2e5o s HIS 36 Ca 0.14 0.35 0.01 0.00 0.25 0.00 0.00 55.06 55.82 2e5o s HIS 36 Cb 0.07 -4.03 0.03 0.00 -1.18 0.00 0.00 32.58 27.46 2e5o s HIS 36 CO 0.11 -3.74 -0.18 1.03 -0.65 0.00 0.00 174.74 171.31 2e5o s ARG 37 N 5.14 2.79 0.00 2.88 1.81 -1.26 -4.86 118.95 125.45 2e5o s ARG 37 Ca 0.83 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.90 2e5o s ARG 37 Cb -0.30 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 2e5o s ARG 37 CO 0.33 -0.30 0.00 0.41 -0.68 0.00 0.00 175.30 175.07 2e5o n GLY 38 N 4.58 -0.46 3.70 -3.53 0.00 -1.04 -4.91 105.19 103.53 2e5o n GLY 38 Ca -0.19 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 3.02 -0.16 1.61 3.52 -1.26 -0.65 118.95 125.02 2e5o s ARG 39 Ca 0.00 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 2e5o s ARG 39 Cb 0.00 -2.82 0.07 0.00 -1.56 0.00 0.00 34.95 30.64 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 -0.91 -0.07 0.06 -0.88 2.96 0.00 -4.04 118.68 115.81 2e5o s LEU 40 Ca 0.14 -0.02 -0.31 0.00 -0.22 0.00 0.00 54.13 53.72 2e5o s LEU 40 Cb -0.11 0.32 -0.06 0.00 0.50 0.00 0.00 46.19 46.83 2e5o s LEU 40 CO 0.03 -0.30 1.29 0.26 -1.32 0.00 0.00 176.35 176.31 2e5o s TRP 41 N 2.31 3.26 -0.16 5.38 0.52 0.82 -0.12 118.94 130.94 2e5o s TRP 41 Ca 0.05 1.10 -0.07 0.00 0.02 0.00 0.00 56.10 57.19 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 -0.10 -1.84 0.10 0.42 0.02 0.00 0.00 176.95 175.55 2e5o s ILE 42 N 1.37 5.11 0.28 2.03 -1.09 0.81 0.62 121.20 130.33 2e5o s ILE 42 Ca 0.61 0.07 0.05 0.00 -2.23 0.00 0.00 60.65 59.15 2e5o s ILE 42 Cb -0.32 -3.28 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2e5o s ILE 42 CO 0.29 0.51 0.00 0.00 -1.23 0.00 0.00 174.94 174.51 2e5o s ALA 43 N -0.13 2.18 -0.29 9.38 0.00 -1.21 -1.90 121.76 129.81 2e5o s ALA 43 Ca 0.09 -1.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.01 2e5o s ALA 43 Cb -0.12 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2e5o s ALA 43 CO 0.01 -0.21 0.25 0.00 0.00 0.00 0.00 175.76 175.80 2e5o s ALA 44 N -3.24 3.53 1.24 0.00 0.00 -0.35 0.03 121.76 122.97 2e5o s ALA 44 Ca 0.32 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 2e5o s ALA 44 Cb 0.06 -2.57 0.28 0.00 0.00 0.00 0.00 23.12 20.90 2e5o s ALA 44 CO 0.12 -0.64 0.64 0.25 0.00 0.00 0.00 175.76 176.13 2e5o n THR 45 N 5.09 0.00 1.43 0.00 -2.24 0.03 0.13 114.28 118.71 2e5o n THR 45 Ca -0.12 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.80 2e5o n THR 45 Cb 0.51 -0.73 0.73 0.00 -2.10 0.00 0.00 70.33 68.74 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 -5.08 2.56 -2.67 6.98 0.00 -1.26 -0.89 120.51 120.15 2e5o n ALA 46 Ca -0.15 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2e5o n ALA 46 Cb 0.44 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.54 4.29 0.13 0.00 2.20 -1.26 -4.82 119.74 117.72 2e5o s LYS 47 Ca 0.29 0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 56.48 2e5o s LYS 47 Cb 0.20 -3.55 -0.07 0.00 -1.51 0.00 0.00 37.83 32.90 2e5o s LYS 47 CO 0.47 -0.22 0.72 0.15 -0.36 0.00 0.00 175.35 176.11 2e5o s LYS 48 N 1.81 4.47 0.15 4.03 1.02 -1.26 -4.19 119.74 125.77 2e5o s LYS 48 Ca 0.34 1.04 -0.31 0.00 0.02 0.00 0.00 55.97 57.06 2e5o s LYS 48 Cb -0.16 -3.27 -0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2e5o s LYS 48 CO 0.12 0.55 1.33 -1.25 -0.92 0.00 0.00 175.35 175.19 2e5o s PRO 49 N -1.00 4.36 0.63 -1.68 0.04 -1.26 -4.96 135.00 131.13 2e5o s PRO 49 Ca 0.34 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 2e5o s PRO 49 Cb -0.22 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 2e5o s PRO 49 CO 0.24 -0.33 1.05 -1.12 0.04 0.00 0.00 177.00 176.88 2e5o s SER 50 N 0.71 5.78 0.00 6.66 0.01 -1.26 -4.92 113.70 120.67 2e5o s SER 50 Ca 0.60 1.65 0.15 0.00 1.31 0.00 0.00 55.95 59.66 2e5o s SER 50 Cb -0.36 -2.51 0.74 0.00 0.21 0.00 0.00 66.02 64.11 2e5o s SER 50 CO 0.34 -1.17 1.41 -0.81 0.41 0.00 0.00 173.24 173.42 2e5o n PRO 51 N -2.52 0.20 -0.09 12.44 -0.04 -1.26 -2.20 135.00 141.53 2e5o n PRO 51 Ca 0.08 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 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 -1.29 0.65 -0.08 0.54 1.13 -1.26 -3.61 117.38 113.46 2e5o n GLN 52 Ca 0.07 0.30 -0.12 0.00 -1.94 0.00 0.00 57.00 55.31 2e5o n GLN 52 Cb 0.12 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 28.86 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 -0.42 0.82 -0.04 -1.09 3.07 -1.92 -0.83 114.58 114.18 2e5o h GLU 53 Ca -0.51 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.36 57.90 2e5o h GLU 53 Cb 1.75 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.68 2e5o h GLU 53 CO -0.14 1.08 0.01 0.28 -1.40 0.00 0.00 179.01 178.83 2e5o h VAL 54 N 0.67 1.22 -0.40 3.13 2.07 -1.65 0.41 116.25 121.68 2e5o h VAL 54 Ca 0.05 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2e5o h VAL 54 Cb 0.99 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2e5o h VAL 54 CO 0.09 0.18 0.06 -1.28 0.02 0.00 0.00 177.57 176.64 2e5o h SER 55 N -0.19 0.65 0.25 0.57 0.87 -1.61 -0.18 113.55 113.90 2e5o h SER 55 Ca 0.01 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2e5o h SER 55 Cb 0.28 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2e5o h SER 55 CO 0.00 0.75 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.60 2e5o h GLU 56 N 0.52 -0.32 -1.00 2.24 5.08 -1.13 -2.96 114.58 117.02 2e5o h GLU 56 Ca 0.12 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2e5o h GLU 56 Cb 0.38 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 2e5o h GLU 56 CO 0.01 0.01 0.64 -0.07 -1.00 0.00 0.00 179.01 178.60 2e5o h LEU 57 N -0.69 0.99 -0.80 1.33 3.38 -0.20 0.40 115.31 119.71 2e5o h LEU 57 Ca -0.03 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2e5o h LEU 57 Cb 0.48 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2e5o h LEU 57 CO 0.06 0.60 0.45 1.56 0.09 0.00 0.00 178.44 181.20 2e5o h GLN 58 N 1.11 0.73 0.07 1.13 4.20 -0.99 0.25 115.11 121.60 2e5o h GLN 58 Ca 0.45 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.85 2e5o h GLN 58 Cb 0.26 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2e5o h GLN 58 CO -0.20 0.48 -1.31 0.00 -0.67 0.00 0.00 178.83 177.13 2e5o h ALA 59 N 1.45 0.32 0.22 3.87 0.00 -1.13 -2.96 119.26 121.03 2e5o h ALA 59 Ca 0.39 -1.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2e5o h ALA 59 Cb 0.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2e5o h ALA 59 CO -0.25 1.19 -0.11 1.15 0.00 0.00 0.00 179.25 181.23 2e5o h THR 60 N 0.04 0.85 -0.60 0.00 2.02 0.43 -3.10 112.91 112.54 2e5o h THR 60 Ca -0.15 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 2e5o h THR 60 Cb 1.93 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 2e5o h THR 60 CO 0.15 0.10 0.13 1.88 0.37 0.00 0.00 175.52 178.15 2e5o h TYR 61 N -0.53 1.00 -1.01 3.16 0.05 -0.68 -2.51 116.97 116.44 2e5o h TYR 61 Ca -0.03 -0.11 0.26 0.00 0.05 0.00 0.00 58.73 58.90 2e5o h TYR 61 Cb 0.40 -0.28 -0.07 0.00 1.01 0.00 0.00 36.73 37.78 2e5o h TYR 61 CO 0.00 0.83 0.68 0.00 -1.05 0.00 0.00 178.16 178.63 2e5o h ARG 62 N 0.91 0.28 0.00 4.88 3.08 -1.46 1.01 114.38 123.08 2e5o h ARG 62 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2e5o h ARG 62 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2e5o h ARG 62 CO 0.00 0.18 -0.64 1.28 -1.07 0.00 0.00 179.97 179.72 2e5o n LEU 63 N -4.48 0.59 -0.02 3.04 4.77 -0.97 0.90 117.00 120.82 2e5o n LEU 63 Ca 0.23 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 2e5o n LEU 63 Cb 0.91 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.67 2e5o n LEU 63 CO 0.31 0.06 -0.58 0.18 -1.33 0.00 0.00 177.39 176.03 2e5o n LEU 64 N -1.75 0.72 0.00 2.23 4.77 0.30 -4.57 117.00 118.69 2e5o n LEU 64 Ca 0.04 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2e5o n LEU 64 Cb 0.38 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2e5o n LEU 64 CO 0.37 0.35 -0.44 0.54 -1.33 0.00 0.00 177.39 176.87 2e5o n ARG 65 N -2.95 3.29 0.00 3.23 5.12 0.16 -5.02 116.66 120.49 2e5o n ARG 65 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2e5o n ARG 65 Cb 1.01 -0.94 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 2.65 3.90 0.39 -0.13 0.00 0.17 -4.89 105.19 107.28 2e5o n GLY 66 Ca 0.00 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.51 1.61 5.09 0.20 1.21 116.57 124.17 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 -0.25 -2.09 0.00 0.00 179.45 177.11 2e5o n ASP 68 N -2.90 0.51 -3.20 7.07 9.92 -1.26 -4.86 116.55 121.82 2e5o n ASP 68 Ca 0.06 -1.92 -0.22 0.00 -0.53 0.00 0.00 54.79 52.18 2e5o n ASP 68 Cb 0.95 -0.25 0.20 0.00 -0.64 0.00 0.00 41.12 41.37 2e5o n ASP 68 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2e5o n VAL 69 N -0.23 0.00 -4.32 2.53 0.24 0.42 -5.06 118.33 111.91 2e5o n VAL 69 Ca 0.00 -0.14 -0.25 0.00 -2.04 0.00 0.00 64.34 61.91 2e5o n VAL 69 Cb 0.13 -0.89 -0.08 0.00 -1.47 0.00 0.00 33.84 31.52 2e5o n VAL 69 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2e5o s GLU 70 N -4.61 2.10 -0.28 7.34 2.02 -1.26 -5.12 118.70 118.89 2e5o s GLU 70 Ca 0.49 -1.78 -0.18 0.00 0.02 0.00 0.00 54.97 53.52 2e5o s GLU 70 Cb -0.07 -1.92 0.09 0.00 0.10 0.00 0.00 34.13 32.32 2e5o s GLU 70 CO 0.40 0.08 0.73 -0.06 0.02 0.00 0.00 175.26 176.44 2e5o s PHE 71 N -2.54 -0.95 0.99 1.61 0.08 -1.26 -4.86 117.98 111.05 2e5o s PHE 71 Ca 0.36 1.97 -0.12 0.00 0.12 0.00 0.00 56.93 59.26 2e5o s PHE 71 Cb 0.01 0.53 0.19 0.00 -0.57 0.00 0.00 43.02 43.18 2e5o s PHE 71 CO 0.20 -0.47 1.09 -1.25 -0.10 0.00 0.00 175.22 174.69 2e5o s PRO 72 N 1.31 0.46 -0.00 0.24 0.04 -1.26 -4.99 135.00 130.80 2e5o s PRO 72 Ca -0.07 0.54 0.14 0.00 0.04 0.00 0.00 61.00 61.64 2e5o s PRO 72 Cb -0.05 -1.74 -0.20 0.00 0.04 0.00 0.00 34.50 32.56 2e5o s PRO 72 CO -0.15 -2.72 0.75 -2.95 0.04 0.00 0.00 177.00 171.97 2e5o h ASN 73 N -1.88 0.00 -5.49 6.66 7.08 -2.04 -3.48 115.58 116.42 2e5o h ASN 73 Ca -0.54 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.49 2e5o h ASN 73 Cb 1.33 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 37.44 2e5o h ASN 73 CO 0.57 0.87 -0.43 -1.81 -2.08 0.00 0.00 177.43 174.55 2e5o s ASP 74 N -6.03 0.17 -0.37 6.14 1.01 -1.26 -5.13 116.67 111.20 2e5o s ASP 74 Ca -0.04 -1.26 0.00 0.00 0.71 0.00 0.00 52.55 51.96 2e5o s ASP 74 Cb 0.08 0.47 0.12 0.00 1.01 0.00 0.00 42.92 44.61 2e5o s ASP 74 CO 0.82 -0.97 0.18 -0.31 0.21 0.00 0.00 175.17 175.10 2e5o s TYR 75 N -4.03 1.38 1.01 4.23 1.51 -1.26 -5.06 117.35 115.14 2e5o s TYR 75 Ca 0.33 -1.87 -0.12 0.00 -1.01 0.00 0.00 57.07 54.39 2e5o s TYR 75 Cb 0.04 -1.47 0.19 0.00 -0.11 0.00 0.00 41.96 40.62 2e5o s TYR 75 CO 0.12 -0.82 1.09 -1.25 -1.11 0.00 0.00 175.55 173.58 2e5o s PRO 76 N 1.04 0.34 -0.01 -1.71 0.04 -1.26 -4.77 135.00 128.67 2e5o s PRO 76 Ca 0.15 0.49 0.01 0.00 0.04 0.00 0.00 61.00 61.70 2e5o s PRO 76 Cb -0.22 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2e5o s PRO 76 CO -0.09 -2.79 -0.05 -1.12 0.04 0.00 0.00 177.00 172.99 2e5o s SER 77 N -3.45 0.56 -0.87 6.66 0.01 -1.26 -4.79 113.70 110.55 2e5o s SER 77 Ca 0.65 -0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.83 2e5o s SER 77 Cb -0.19 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2e5o s SER 77 CO 0.58 0.05 0.73 0.61 0.41 0.00 0.00 173.24 175.62 2e5o n GLY 78 N 3.03 -0.14 3.46 3.44 0.00 0.34 -4.86 105.19 110.45 2e5o n GLY 78 Ca -0.13 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.86 4.20 0.00 0.00 0.20 -1.00 -1.22 118.68 120.00 2e5o s LEU 80 Ca -0.09 1.71 0.00 0.00 0.69 0.00 0.00 54.13 56.44 2e5o s LEU 80 Cb -0.02 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2e5o s LEU 80 CO 0.07 -0.74 0.00 0.18 -0.29 0.00 0.00 176.35 175.57 2e5o n LEU 81 N 6.39 0.63 0.00 -0.68 4.77 -0.89 -4.16 117.00 123.06 2e5o n LEU 81 Ca 0.13 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2e5o n LEU 81 Cb 0.45 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2e5o n LEU 81 CO 0.56 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2e5o n GLY 82 N 2.05 5.10 3.28 -0.72 0.00 -0.80 -0.83 105.19 113.27 2e5o n GLY 82 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.28 0.02 -0.43 0.00 -7.23 0.82 -2.72 120.40 107.59 2e5o s VAL 84 Ca 0.00 -0.20 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 2e5o s VAL 84 Cb 0.01 -0.22 0.02 0.00 0.56 0.00 0.00 36.38 36.76 2e5o s VAL 84 CO -0.08 -0.11 0.85 -0.62 -0.31 0.00 0.00 175.10 174.83 2e5o s ASP 85 N -0.33 6.50 -0.73 4.85 2.15 0.11 -0.82 116.67 128.41 2e5o s ASP 85 Ca -0.04 0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.83 2e5o s ASP 85 Cb -0.03 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 2e5o s ASP 85 CO 0.00 -0.92 1.57 -0.22 -0.17 0.00 0.00 175.17 175.43 2e5o s LEU 86 N 3.44 3.24 0.03 -1.34 0.20 0.17 -0.10 118.68 124.33 2e5o s LEU 86 Ca 0.34 -0.25 -0.22 0.00 0.69 0.00 0.00 54.13 54.69 2e5o s LEU 86 Cb -0.12 -2.55 -0.15 0.00 -0.43 0.00 0.00 46.19 42.95 2e5o s LEU 86 CO 0.22 -2.09 1.39 0.16 -0.29 0.00 0.00 176.35 175.74 2e5o h ILE 87 N 6.52 1.32 -2.51 6.68 -2.65 -1.25 -2.76 117.51 122.86 2e5o h ILE 87 Ca -0.20 -1.07 0.14 0.00 1.03 0.00 0.00 64.86 64.76 2e5o h ILE 87 Cb 1.09 1.79 -0.08 0.00 -2.05 0.00 0.00 36.82 37.56 2e5o h ILE 87 CO 1.26 0.31 0.42 -1.81 0.03 0.00 0.00 178.15 178.36 2e5o s ASP 88 N -5.88 -0.24 -0.32 2.16 1.01 -1.18 -4.89 116.67 107.33 2e5o s ASP 88 Ca -0.15 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.75 2e5o s ASP 88 Cb 0.05 0.53 0.10 0.00 1.01 0.00 0.00 42.92 44.61 2e5o s ASP 88 CO 0.72 -0.97 0.08 0.00 0.21 0.00 0.00 175.17 175.21 2e5o s LEU 90 N 1.38 3.31 0.41 0.00 1.43 -0.09 -4.83 118.68 120.28 2e5o s LEU 90 Ca 0.10 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2e5o s LEU 90 Cb -0.18 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 2e5o s LEU 90 CO -0.19 -1.11 0.30 -0.44 0.23 0.00 0.00 176.35 175.14 2e5o s SER 91 N -4.42 4.83 0.63 2.29 0.01 -1.26 0.53 113.70 116.31 2e5o s SER 91 Ca 0.57 -0.85 0.17 0.00 1.31 0.00 0.00 55.95 57.15 2e5o s SER 91 Cb -0.10 -0.56 0.70 0.00 0.21 0.00 0.00 66.02 66.27 2e5o s SER 91 CO 0.38 -0.59 1.32 1.56 0.41 0.00 0.00 173.24 176.32 2e5o h GLN 92 N 1.19 0.00 0.00 12.44 1.08 -1.66 1.06 115.11 129.22 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 0.62 0.00 -0.18 -0.22 -0.95 0.00 0.00 178.83 178.09 2e5o h LYS 93 N 0.00 0.00 -0.21 1.46 3.64 -1.93 -3.33 116.57 116.20 2e5o h LYS 93 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2e5o h LYS 93 Cb 2.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.90 2e5o h LYS 93 CO -0.00 0.00 0.13 1.96 -2.27 0.00 0.00 179.45 179.27 2e5o h GLN 94 N -0.38 0.28 -0.53 1.90 4.20 -1.64 0.18 115.11 119.12 2e5o h GLN 94 Ca 0.00 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.78 2e5o h GLN 94 Cb 0.18 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.80 2e5o h GLN 94 CO 0.00 0.20 -0.39 0.35 -0.67 0.00 0.00 178.83 178.32 2e5o h PHE 95 N 0.27 -1.11 -0.38 2.96 3.57 0.88 0.28 116.94 123.42 2e5o h PHE 95 Ca 0.08 0.07 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 2e5o h PHE 95 Cb -0.01 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2e5o h PHE 95 CO -0.06 -0.41 -0.38 1.57 -2.23 0.00 0.00 178.31 176.80 2e5o h LYS 96 N -0.23 0.91 0.40 1.11 2.10 -1.64 0.62 116.57 119.83 2e5o h LYS 96 Ca 0.19 -0.47 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 2e5o h LYS 96 Cb 0.56 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 2e5o h LYS 96 CO -0.65 1.12 -0.49 0.93 -2.00 0.00 0.00 179.45 178.36 2e5o h GLU 97 N 0.74 -0.89 0.01 0.07 5.08 0.81 0.34 114.58 120.74 2e5o h GLU 97 Ca 0.06 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2e5o h GLU 97 Cb 0.97 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2e5o h GLU 97 CO 0.09 -0.59 -0.06 1.96 -1.00 0.00 0.00 179.01 179.41 2e5o h GLN 98 N -0.92 0.03 -2.48 2.33 4.20 -0.57 -3.38 115.11 114.33 2e5o h GLN 98 Ca -0.04 -0.04 -0.70 0.00 0.06 0.00 0.00 58.65 57.92 2e5o h GLN 98 Cb 0.83 0.01 -0.35 0.00 0.30 0.00 0.00 27.48 28.27 2e5o h GLN 98 CO -0.12 0.90 0.13 1.19 -0.67 0.00 0.00 178.83 180.26 2e5o n PHE 99 N -4.63 3.05 0.44 2.96 3.01 0.22 -4.82 117.46 117.69 2e5o n PHE 99 Ca -0.10 -3.34 0.09 0.00 1.01 0.00 0.00 57.45 55.12 2e5o n PHE 99 Cb 0.45 -0.89 0.39 0.00 -0.01 0.00 0.00 39.48 39.42 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 0.78 0.09 0.20 -1.08 -0.04 0.12 -2.30 135.00 132.78 2e5o n PRO 100 Ca 0.31 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 64.20 2e5o n PRO 100 Cb 0.36 -1.68 0.23 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2e5o h ASP 101 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2e5o h ASP 101 CO 0.00 0.19 -0.02 2.30 -3.12 0.00 0.00 179.24 178.59 2e5o n ILE 102 N -3.18 1.43 0.30 0.35 -5.35 -0.97 -4.71 119.36 107.22 2e5o n ILE 102 Ca 0.02 -1.64 0.19 0.00 -0.27 0.00 0.00 62.75 61.05 2e5o n ILE 102 Cb 0.55 0.10 1.01 0.00 -1.74 0.00 0.00 39.64 39.56 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 0.26 7.28 4.64 -1.50 -1.11 113.55 123.12 2e5o h SER 103 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2e5o h SER 103 Cb 0.83 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.86 2e5o h SER 103 CO 0.00 0.00 -2.02 0.00 -0.87 0.00 0.00 176.83 173.94 2e5o n GLN 104 N -3.41 0.66 -0.11 4.77 -0.00 -1.26 -4.16 117.38 113.87 2e5o n GLN 104 Ca -0.02 0.17 0.27 0.00 -0.00 0.00 0.00 57.00 57.42 2e5o n GLN 104 Cb 0.17 -1.67 0.64 0.00 -0.00 0.00 0.00 30.24 29.38 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 -4.13 2.61 5.08 -1.51 -3.38 114.58 113.25 2e5o h GLU 105 Ca -0.41 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.64 2e5o h GLU 105 Cb 2.11 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 31.07 2e5o h GLU 105 CO 0.05 0.00 -0.75 0.45 -1.00 0.00 0.00 179.01 177.77 2e5o s SER 106 N -4.53 0.49 -0.22 1.42 0.15 -1.23 -4.97 113.70 104.80 2e5o s SER 106 Ca -0.04 -0.07 0.12 0.00 0.70 0.00 0.00 55.95 56.66 2e5o s SER 106 Cb 0.16 -0.08 0.45 0.00 -1.71 0.00 0.00 66.02 64.84 2e5o s SER 106 CO 0.57 0.03 1.34 -0.67 1.20 0.00 0.00 173.24 175.71 2e5o n ASP 107 N 3.13 2.46 -4.95 5.45 2.03 -1.26 -4.89 116.55 118.51 2e5o n ASP 107 Ca -0.14 -3.58 -0.23 0.00 0.52 0.00 0.00 54.79 51.35 2e5o n ASP 107 Cb 0.58 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 2e5o n ASP 107 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2e5o s SER 108 N -2.69 6.30 0.48 1.67 1.04 -1.26 -5.01 113.70 114.24 2e5o s SER 108 Ca 0.40 0.11 0.27 0.00 0.48 0.00 0.00 55.95 57.21 2e5o s SER 108 Cb 0.37 -1.87 1.14 0.00 0.10 0.00 0.00 66.02 65.76 2e5o s SER 108 CO -0.00 -0.01 1.92 1.55 0.98 0.00 0.00 173.24 177.67 2e5o h PRO 109 N 1.62 0.00 -3.02 4.02 0.13 -1.92 -3.35 132.00 129.47 2e5o h PRO 109 Ca -0.50 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 2e5o h PRO 109 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2e5o h PRO 109 CO 0.64 0.16 -0.78 -0.06 -0.23 0.00 0.00 178.00 177.73 2e5o s PHE 110 N -3.77 1.26 0.09 1.56 0.08 -1.11 -2.82 117.98 113.27 2e5o s PHE 110 Ca -0.00 -1.71 -0.24 0.00 0.12 0.00 0.00 56.93 55.10 2e5o s PHE 110 Cb 0.11 -1.40 -0.07 0.00 -0.57 0.00 0.00 43.02 41.09 2e5o s PHE 110 CO 0.60 -0.83 0.72 0.08 -0.10 0.00 0.00 175.22 175.69 2e5o s VAL 111 N 1.27 4.61 -0.40 -0.44 1.01 0.19 -3.38 120.40 123.25 2e5o s VAL 111 Ca 0.14 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 2e5o s VAL 111 Cb -0.20 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.15 2e5o s VAL 111 CO -0.14 0.46 0.25 -0.36 0.00 0.00 0.00 175.10 175.30 2e5o s PHE 112 N -0.66 3.27 -0.10 5.22 0.08 -0.45 -0.92 117.98 124.42 2e5o s PHE 112 Ca 0.35 -1.11 -0.30 0.00 0.12 0.00 0.00 56.93 55.99 2e5o s PHE 112 Cb -0.21 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 2e5o s PHE 112 CO 0.23 -0.72 1.24 0.42 -0.10 0.00 0.00 175.22 176.28 2e5o s ILE 113 N 1.53 4.24 0.17 0.64 1.01 0.25 -0.65 121.20 128.39 2e5o s ILE 113 Ca 0.02 1.54 0.08 0.00 0.00 0.00 0.00 60.65 62.30 2e5o s ILE 113 Cb -0.21 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2e5o s ILE 113 CO 0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 174.94 174.76 2e5o s LYS 115 N -2.93 1.70 -1.21 0.00 -0.14 0.85 -4.64 119.74 113.37 2e5o s LYS 115 Ca 0.16 -1.79 -0.02 0.00 -1.36 0.00 0.00 55.97 52.97 2e5o s LYS 115 Cb -0.05 0.37 -0.01 0.00 -1.68 0.00 0.00 37.83 36.46 2e5o s LYS 115 CO 0.06 -0.66 0.89 0.09 -0.76 0.00 0.00 175.35 174.98 2e5o n ASN 116 N -1.16 -2.52 -4.63 2.83 3.02 -1.26 0.04 115.26 111.57 2e5o n ASN 116 Ca 0.03 -0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 53.45 2e5o n ASN 116 Cb 0.63 -4.76 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 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 -5.43 3.74 -0.04 3.52 0.04 -1.26 -4.48 135.00 131.08 2e5o s PRO 117 Ca 0.08 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.76 2e5o s PRO 117 Cb -0.01 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2e5o s PRO 117 CO 0.76 -1.36 -0.13 1.14 0.04 0.00 0.00 177.00 177.45 2e5o s GLN 118 N 4.78 1.39 -0.24 4.56 -2.07 -1.10 -4.70 119.66 122.28 2e5o s GLN 118 Ca 0.72 -0.44 -0.13 0.00 -1.82 0.00 0.00 55.36 53.69 2e5o s GLN 118 Cb -0.24 -1.23 -0.04 0.00 -1.09 0.00 0.00 33.01 30.40 2e5o s GLN 118 CO 0.30 0.15 0.27 -2.00 -1.32 0.00 0.00 175.29 172.69 2e5o s GLU 119 N 0.21 4.07 0.81 9.60 2.56 -1.22 -1.93 118.70 132.80 2e5o s GLU 119 Ca -0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 54.97 54.71 2e5o s GLU 119 Cb -0.11 -3.58 0.08 0.00 2.00 0.00 0.00 34.13 32.53 2e5o s GLU 119 CO 0.02 -0.06 1.15 -1.64 -0.56 0.00 0.00 175.26 174.17 2e5o s MET 120 N 1.40 1.77 0.08 4.30 -1.94 -0.01 -4.71 119.30 120.19 2e5o s MET 120 Ca 0.12 1.52 0.02 0.00 -1.71 0.00 0.00 55.69 55.64 2e5o s MET 120 Cb -0.15 -1.81 -0.25 0.00 2.01 0.00 0.00 34.83 34.63 2e5o s MET 120 CO 0.07 -2.07 1.14 0.28 -0.01 0.00 0.00 175.02 174.44 2e5o h VAL 121 N -1.08 1.52 -4.29 -6.03 2.07 -1.73 -3.46 116.25 103.26 2e5o h VAL 121 Ca -0.45 -3.18 -0.69 0.00 0.82 0.00 0.00 66.70 63.21 2e5o h VAL 121 Cb 1.27 2.85 -0.26 0.00 -1.52 0.00 0.00 31.29 33.62 2e5o h VAL 121 CO 0.47 0.90 -0.88 0.54 0.02 0.00 0.00 177.57 178.62 2e5o s VAL 122 N -2.67 2.10 0.07 2.57 0.11 -1.26 -5.13 120.40 116.19 2e5o s VAL 122 Ca -0.02 -1.38 0.05 0.00 -2.93 0.00 0.00 61.98 57.70 2e5o s VAL 122 Cb 0.08 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 2e5o s VAL 122 CO 0.85 0.35 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.37 2e5o s LYS 123 N -1.24 2.38 0.01 1.54 -0.14 -1.26 -4.91 119.74 116.12 2e5o s LYS 123 Ca 0.11 -0.88 0.07 0.00 -1.36 0.00 0.00 55.97 53.92 2e5o s LYS 123 Cb -0.10 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 2e5o s LYS 123 CO 0.02 0.55 -0.21 -0.06 -0.76 0.00 0.00 175.35 174.89 2e5o s PHE 124 N -1.18 2.48 -0.99 3.18 0.08 -1.26 -4.90 117.98 115.39 2e5o s PHE 124 Ca 0.21 -0.32 -0.24 0.00 0.12 0.00 0.00 56.93 56.71 2e5o s PHE 124 Cb -0.11 -1.49 -0.06 0.00 -0.57 0.00 0.00 43.02 40.78 2e5o s PHE 124 CO 0.13 0.14 1.94 -1.25 -0.10 0.00 0.00 175.22 176.08 2e5o s PRO 125 N -1.03 2.53 0.26 0.24 0.04 -1.26 -2.37 135.00 133.41 2e5o s PRO 125 Ca 0.12 -0.58 0.08 0.00 0.04 0.00 0.00 61.00 60.66 2e5o s PRO 125 Cb -0.10 -5.12 -0.05 0.00 0.04 0.00 0.00 34.50 29.26 2e5o s PRO 125 CO 0.02 -3.58 -0.11 0.96 0.04 0.00 0.00 177.00 174.33 2e5o s ILE 126 N 10.40 1.81 0.07 0.56 -5.25 -1.08 -4.99 121.20 122.72 2e5o s ILE 126 Ca 0.70 -2.19 0.04 0.00 -0.99 0.00 0.00 60.65 58.20 2e5o s ILE 126 Cb -0.05 -2.30 -0.04 0.00 2.95 0.00 0.00 42.46 43.02 2e5o s ILE 126 CO 0.04 -0.41 0.01 -0.54 -1.79 0.00 0.00 174.94 172.25 2e5o s LYS 127 N -3.67 2.64 0.57 0.37 -0.14 -1.26 -3.32 119.74 114.93 2e5o s LYS 127 Ca 0.27 -0.78 0.10 0.00 -1.36 0.00 0.00 55.97 54.20 2e5o s LYS 127 Cb 0.01 -2.59 0.08 0.00 -1.68 0.00 0.00 37.83 33.65 2e5o s LYS 127 CO 0.11 0.56 0.78 0.20 -0.76 0.00 0.00 175.35 176.24 2e5o s GLY 128 N -2.18 1.74 0.14 -3.33 0.00 -1.26 -4.98 107.32 97.45 2e5o s GLY 128 Ca 0.25 -2.13 -0.17 0.00 0.00 0.00 0.00 44.72 42.68 2e5o s GLY 128 CO 0.17 -1.68 0.44 -1.31 0.00 0.00 0.00 173.10 170.73 2e5o s ASN 129 N -4.65 -0.27 0.00 1.64 0.01 -1.26 -5.02 114.94 105.39 2e5o s ASN 129 Ca 0.61 -0.33 0.15 0.00 -0.71 0.00 0.00 52.86 52.59 2e5o s ASN 129 Cb -0.06 0.51 0.88 0.00 0.41 0.00 0.00 41.25 42.99 2e5o s ASN 129 CO 0.39 -0.91 1.36 -0.81 -1.51 0.00 0.00 177.10 175.63 2e5o n PRO 130 N -0.26 0.41 -3.18 -0.60 -0.04 -1.26 -4.49 135.00 125.58 2e5o n PRO 130 Ca -0.15 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 2e5o n PRO 130 Cb 0.64 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.08 0.37 -2.92 0.54 4.76 -1.26 -4.98 118.16 113.58 2e5o n LYS 131 Ca 0.10 -1.74 -0.40 0.00 -2.87 0.00 0.00 58.31 53.41 2e5o n LYS 131 Cb 0.07 1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 34.48 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 -2.59 4.31 -0.09 -0.18 1.01 -1.26 -4.70 121.20 117.69 2e5o s ILE 132 Ca 0.18 1.80 -0.04 0.00 0.00 0.00 0.00 60.65 62.58 2e5o s ILE 132 Cb 0.01 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.34 2e5o s ILE 132 CO 0.12 0.51 0.20 -1.66 0.00 0.00 0.00 174.94 174.12 2e5o s TRP 133 N -1.11 -0.26 0.08 3.97 1.48 -1.15 -5.04 118.94 116.91 2e5o s TRP 133 Ca 0.37 0.67 -0.31 0.00 -1.06 0.00 0.00 56.10 55.78 2e5o s TRP 133 Cb -0.24 -0.04 -0.09 0.00 -1.16 0.00 0.00 33.47 31.94 2e5o s TRP 133 CO 0.28 -0.23 1.67 0.21 -4.06 0.00 0.00 176.95 174.82 2e5o s LYS 134 N 1.46 4.19 0.69 3.25 2.20 -1.26 -3.31 119.74 126.95 2e5o s LYS 134 Ca -0.07 2.37 -0.10 0.00 -0.36 0.00 0.00 55.97 57.81 2e5o s LYS 134 Cb -0.11 -3.58 0.15 0.00 -1.51 0.00 0.00 37.83 32.78 2e5o s LYS 134 CO -0.07 -0.74 0.34 1.28 -0.36 0.00 0.00 175.35 175.80 2e5o n LEU 135 N 5.56 0.00 -4.74 5.43 4.77 -1.25 -4.93 117.00 121.84 2e5o n LEU 135 Ca 0.16 -0.35 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 2e5o n LEU 135 Cb 0.40 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2e5o n LEU 135 CO 0.63 -2.08 0.18 -0.62 -1.33 0.00 0.00 177.39 174.17 2e5o s ASP 136 N -2.07 6.73 0.36 -1.43 -1.08 -1.26 -4.87 116.67 113.05 2e5o s ASP 136 Ca 0.26 0.87 0.26 0.00 -0.52 0.00 0.00 52.55 53.42 2e5o s ASP 136 Cb -0.05 -2.29 1.24 0.00 -1.46 0.00 0.00 42.92 40.36 2e5o s ASP 136 CO 0.22 0.05 1.31 -1.20 0.52 0.00 0.00 175.17 176.07 2e5o n SER 137 N 3.35 0.19 0.08 -0.34 7.64 -1.26 0.26 113.62 123.54 2e5o n SER 137 Ca -0.08 1.20 -0.22 0.00 1.01 0.00 0.00 58.87 60.78 2e5o n SER 137 Cb 0.52 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.62 -0.23 1.43 6.56 -2.02 -3.33 116.57 119.60 2e5o h LYS 138 Ca 0.74 -0.81 -0.05 0.00 -1.06 0.00 0.00 60.65 59.47 2e5o h LYS 138 Cb 2.32 0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 34.23 2e5o h LYS 138 CO -0.43 1.36 -0.05 0.82 -2.06 0.00 0.00 179.45 179.09 2e5o h ILE 139 N 0.26 1.28 -0.51 1.86 1.08 0.32 -3.21 117.51 118.59 2e5o h ILE 139 Ca -0.18 -1.05 0.05 0.00 -0.39 0.00 0.00 64.86 63.29 2e5o h ILE 139 Cb 1.86 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 37.05 2e5o h ILE 139 CO 0.23 0.32 -0.30 1.57 -0.69 0.00 0.00 178.15 179.28 2e5o n HIS 140 N -4.59 -0.22 0.01 1.37 -0.00 0.11 -0.64 115.22 111.26 2e5o n HIS 140 Ca -0.04 0.64 -0.01 0.00 0.46 0.00 0.00 57.72 58.77 2e5o n HIS 140 Cb 0.29 -0.51 -0.01 0.00 -0.12 0.00 0.00 29.99 29.65 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 -0.04 -0.73 1.57 1.08 -1.70 -2.12 115.11 113.18 2e5o h GLN 141 Ca 0.08 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.46 2e5o h GLN 141 Cb 0.21 0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 27.51 2e5o h GLN 141 CO -0.48 -0.03 -0.08 0.41 -0.95 0.00 0.00 178.83 177.70 2e5o n GLY 142 N -1.03 -1.10 0.27 3.46 0.00 -0.81 0.21 105.19 106.20 2e5o n GLY 142 Ca -0.01 0.74 -0.03 0.00 0.00 0.00 0.00 46.02 46.73 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 1.45 0.93 0.00 4.61 0.00 -0.47 0.29 119.26 126.07 2e5o h ALA 143 Ca 0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2e5o h ALA 143 Cb 0.73 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2e5o h ALA 143 CO -0.71 0.21 -0.14 0.87 0.00 0.00 0.00 179.25 179.47 2e5o h LYS 144 N 0.85 0.00 0.09 0.00 1.57 0.31 -2.92 116.57 116.47 2e5o h LYS 144 Ca 0.29 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.94 2e5o h LYS 144 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 2e5o h LYS 144 CO -0.12 0.14 -0.58 0.87 -0.57 0.00 0.00 179.45 179.20 2e5o h LYS 145 N 0.00 0.20 -0.34 3.15 1.79 -0.11 -3.28 116.57 117.97 2e5o h LYS 145 Ca -0.00 -0.34 0.10 0.00 -2.18 0.00 0.00 60.65 58.23 2e5o h LYS 145 Cb 0.33 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2e5o h LYS 145 CO 0.02 1.16 0.79 0.78 -1.08 0.00 0.00 179.45 181.12 2e5o h GLY 146 N -0.57 0.00 -3.13 3.86 0.00 -0.80 0.16 103.07 102.60 2e5o h GLY 146 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 2e5o h GLY 146 CO 0.09 0.00 0.27 1.04 0.00 0.00 0.00 176.54 177.95 2e5o n LEU 147 N -3.01 5.55 0.01 3.11 4.77 -1.23 -2.34 117.00 123.86 2e5o n LEU 147 Ca 0.07 -2.78 -0.18 0.00 -0.03 0.00 0.00 56.01 53.10 2e5o n LEU 147 Cb 0.91 -0.93 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 2e5o n LEU 147 CO 0.14 1.01 -0.68 0.00 -1.33 0.00 0.00 177.39 176.53 2e5o h MET 148 N 1.02 0.20 -2.20 3.23 -0.00 -0.94 -3.46 114.93 112.78 2e5o h MET 148 Ca 0.21 -0.34 -0.25 0.00 -0.00 0.00 0.00 59.70 59.32 2e5o h MET 148 Cb 1.16 0.13 -0.33 0.00 -0.00 0.00 0.00 31.60 32.55 2e5o h MET 148 CO 0.49 1.01 -0.57 0.15 -0.00 0.00 0.00 176.91 177.99 2e5o s LYS 149 N -2.57 0.28 0.76 -0.10 -0.14 -1.26 -5.16 119.74 111.54 2e5o s LYS 149 Ca -0.16 0.28 -0.06 0.00 -1.36 0.00 0.00 55.97 54.66 2e5o s LYS 149 Cb 0.07 -0.82 0.11 0.00 -1.68 0.00 0.00 37.83 35.50 2e5o s LYS 149 CO 0.80 -0.71 1.06 -0.65 -0.76 0.00 0.00 175.35 175.08 2e5o s GLN 150 N 2.42 1.72 0.87 1.68 -1.52 -1.26 -4.64 119.66 118.94 2e5o s GLN 150 Ca 0.10 -0.58 -0.16 0.00 -1.95 0.00 0.00 55.36 52.77 2e5o s GLN 150 Cb -0.15 -2.17 -0.09 0.00 -0.22 0.00 0.00 33.01 30.39 2e5o s GLN 150 CO -0.17 -1.53 -0.20 0.27 -0.25 0.00 0.00 175.29 173.41 2e5o n ASN 151 N -3.05 -3.97 -2.26 5.90 0.23 -1.26 -4.86 115.26 105.98 2e5o n ASN 151 Ca 0.12 0.35 -0.31 0.00 -0.53 0.00 0.00 54.58 54.20 2e5o n ASN 151 Cb 0.60 -0.96 0.10 0.00 -2.08 0.00 0.00 39.78 37.45 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 0.82 2.63 0.01 -3.83 4.01 -1.26 -4.45 118.16 116.09 2e5o n LYS 152 Ca 0.03 -3.28 -0.03 0.00 -0.51 0.00 0.00 58.31 54.53 2e5o n LYS 152 Cb 0.53 -2.26 -0.01 0.00 -0.51 0.00 0.00 35.03 32.79 2e5o n LYS 152 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2e5o n ALA 153 N -0.96 2.73 0.14 7.82 0.00 -1.26 -5.36 120.51 123.62 2e5o n ALA 153 Ca 0.61 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.93 2e5o n ALA 153 Cb 0.89 0.34 0.07 0.00 0.00 0.00 0.00 19.45 20.74 2e5o n ALA 153 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05