#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 6.61 -0.07 1.61 0.15 -1.26 -4.97 113.70 115.76 2e5o s SER 2 Ca 0.00 2.51 -0.22 0.00 0.70 0.00 0.00 55.95 58.94 2e5o s SER 2 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2e5o s SER 2 CO 0.00 -0.86 0.64 -0.55 1.20 0.00 0.00 173.24 173.66 2e5o s SER 3 N 2.02 6.91 0.00 5.45 0.15 -1.26 -4.85 113.70 122.13 2e5o s SER 3 Ca 0.72 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.47 2e5o s SER 3 Cb -0.41 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2e5o s SER 3 CO 0.32 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2e5o n GLY 4 N 3.09 -2.82 2.84 9.45 0.00 -1.26 -5.00 105.19 111.49 2e5o n GLY 4 Ca -0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 2e5o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5o s SER 5 N -0.95 4.13 -0.28 1.61 0.15 -1.26 -5.08 113.70 112.01 2e5o s SER 5 Ca 0.00 -2.43 -0.06 0.00 0.70 0.00 0.00 55.95 54.15 2e5o s SER 5 Cb 0.00 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.03 2e5o s SER 5 CO 0.00 -0.31 0.06 -0.44 1.20 0.00 0.00 173.24 173.75 2e5o s SER 6 N 0.55 5.03 -0.42 5.45 0.01 -1.26 -5.06 113.70 118.01 2e5o s SER 6 Ca 0.14 -0.65 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 2e5o s SER 6 Cb -0.22 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2e5o s SER 6 CO -0.06 -0.16 1.51 -0.83 0.41 0.00 0.00 173.24 174.10 2e5o s GLY 7 N 1.50 0.98 0.51 3.44 0.00 -1.26 -5.00 107.32 107.49 2e5o s GLY 7 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.62 2e5o s GLY 7 CO 0.02 2.90 0.73 -0.98 0.00 0.00 0.00 173.10 175.77 2e5o s TRP 8 N 5.94 2.99 0.05 1.90 0.52 -1.26 -3.85 118.94 125.23 2e5o s TRP 8 Ca 0.65 0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.81 2e5o s TRP 8 Cb -0.15 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.56 2e5o s TRP 8 CO 0.32 -0.67 0.01 0.00 0.02 0.00 0.00 176.95 176.63 2e5o s LEU 10 N -2.80 -0.18 0.48 0.00 2.96 0.16 -2.55 118.68 116.74 2e5o s LEU 10 Ca 0.05 0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.99 2e5o s LEU 10 Cb 0.06 0.49 -0.07 0.00 0.50 0.00 0.00 46.19 47.17 2e5o s LEU 10 CO -0.09 -0.27 1.20 -0.55 -1.32 0.00 0.00 176.35 175.32 2e5o s SER 11 N 2.36 6.00 0.08 3.68 0.15 -1.26 -2.87 113.70 121.84 2e5o s SER 11 Ca 0.04 2.40 0.03 0.00 0.70 0.00 0.00 55.95 59.11 2e5o s SER 11 Cb -0.13 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 2e5o s SER 11 CO -0.09 -1.04 -0.09 -0.69 1.20 0.00 0.00 173.24 172.53 2e5o s VAL 12 N -1.50 0.78 -0.38 4.45 1.01 0.12 -4.81 120.40 120.08 2e5o s VAL 12 Ca 0.65 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 2e5o s VAL 12 Cb -0.31 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2e5o s VAL 12 CO 0.37 -0.53 0.74 -1.00 0.00 0.00 0.00 175.10 174.68 2e5o s HIS 13 N -2.21 3.10 0.97 5.22 3.76 -1.26 -0.17 115.29 124.71 2e5o s HIS 13 Ca 0.01 0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 55.23 2e5o s HIS 13 Cb -0.04 -3.36 0.18 0.00 1.11 0.00 0.00 32.58 30.46 2e5o s HIS 13 CO -0.01 -0.75 1.12 1.04 -0.85 0.00 0.00 174.74 175.30 2e5o n GLN 14 N 6.35 -0.89 0.18 1.40 6.02 -1.26 -3.02 117.38 126.16 2e5o n GLN 14 Ca 0.02 -0.20 0.03 0.00 -0.01 0.00 0.00 57.00 56.84 2e5o n GLN 14 Cb 0.48 -2.33 0.34 0.00 1.02 0.00 0.00 30.24 29.75 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 -2.07 0.00 -0.43 -1.09 0.13 -1.92 -3.39 132.00 123.21 2e5o h PRO 15 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2e5o h PRO 15 Cb 1.28 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2e5o h PRO 15 CO 0.43 0.41 -0.17 0.91 -0.23 0.00 0.00 178.00 179.35 2e5o n TRP 16 N -3.83 0.02 -0.18 1.56 8.01 -1.17 0.14 117.44 122.00 2e5o n TRP 16 Ca -0.01 0.54 -0.05 0.00 -1.31 0.00 0.00 57.50 56.66 2e5o n TRP 16 Cb 0.47 -0.67 -0.04 0.00 -2.01 0.00 0.00 31.31 29.06 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 -3.78 -0.28 -0.21 6.99 0.00 -1.17 0.07 120.51 122.14 2e5o n ALA 17 Ca 0.05 0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 2e5o n ALA 17 Cb 0.18 0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 0.76 -1.04 0.00 0.02 -0.65 -2.51 113.55 110.14 2e5o h SER 18 Ca 0.07 -0.13 0.26 0.00 -0.84 0.00 0.00 61.79 61.15 2e5o h SER 18 Cb 0.18 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 2e5o h SER 18 CO -0.41 0.68 0.66 -0.07 -1.14 0.00 0.00 176.83 176.55 2e5o h LEU 19 N 0.79 0.46 0.51 5.07 3.38 0.29 0.26 115.31 126.08 2e5o h LEU 19 Ca 0.20 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2e5o h LEU 19 Cb 0.12 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2e5o h LEU 19 CO -0.02 0.09 -0.25 -0.07 0.09 0.00 0.00 178.44 178.27 2e5o h LEU 20 N 0.41 -0.61 -1.98 1.67 4.07 -0.27 0.22 115.31 118.81 2e5o h LEU 20 Ca 0.60 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.58 2e5o h LEU 20 Cb 1.49 0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.39 2e5o h LEU 20 CO -0.31 -0.43 0.00 -0.37 -1.08 0.00 0.00 178.44 176.26 2e5o h VAL 21 N -0.70 0.00 0.04 1.22 -1.51 -1.44 -2.18 116.25 111.68 2e5o h VAL 21 Ca -0.07 -0.13 -0.28 0.00 -1.23 0.00 0.00 66.70 64.99 2e5o h VAL 21 Cb 0.54 0.96 0.02 0.00 -2.13 0.00 0.00 31.29 30.68 2e5o h VAL 21 CO 0.11 0.00 -1.11 0.03 -1.23 0.00 0.00 177.57 175.37 2e5o h ARG 22 N 0.00 0.69 0.00 5.19 2.47 -0.14 -2.68 114.38 119.91 2e5o h ARG 22 Ca 0.00 -0.79 0.00 0.00 -1.26 0.00 0.00 59.98 57.93 2e5o h ARG 22 Cb 0.15 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2e5o h ARG 22 CO 0.00 1.35 0.00 0.41 0.56 0.00 0.00 179.97 182.29 2e5o n GLY 23 N 1.18 1.89 0.09 0.04 0.00 -0.06 -4.90 105.19 103.42 2e5o n GLY 23 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2e5o n GLY 23 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2e5o n ILE 24 N 0.00 1.05 -3.42 -0.61 -0.00 0.56 -4.84 119.36 112.11 2e5o n ILE 24 Ca 0.00 -0.46 -0.44 0.00 -0.00 0.00 0.00 62.75 61.85 2e5o n ILE 24 Cb 0.00 -1.03 -0.05 0.00 -0.00 0.00 0.00 39.64 38.56 2e5o n ILE 24 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2e5o s LYS 25 N -2.37 3.04 -0.07 0.38 2.47 -0.97 -4.88 119.74 117.34 2e5o s LYS 25 Ca -0.21 -2.07 0.12 0.00 -1.56 0.00 0.00 55.97 52.25 2e5o s LYS 25 Cb 0.06 -4.20 0.45 0.00 -1.46 0.00 0.00 37.83 32.68 2e5o s LYS 25 CO 0.47 -1.27 1.31 2.89 0.16 0.00 0.00 175.35 178.91 2e5o n ARG 26 N 4.54 2.67 -3.80 4.03 1.85 -1.26 -4.34 116.66 120.34 2e5o n ARG 26 Ca -0.01 -1.78 -0.12 0.00 -1.00 0.00 0.00 57.85 54.94 2e5o n ARG 26 Cb 0.42 -1.64 -0.11 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.71 0.03 -0.01 8.89 -7.23 -1.26 -1.60 120.40 117.51 2e5o s VAL 27 Ca 0.32 -0.24 0.06 0.00 -1.81 0.00 0.00 61.98 60.31 2e5o s VAL 27 Cb 0.20 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 2e5o s VAL 27 CO 0.16 -0.13 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.94 2e5o s GLU 28 N -0.46 2.28 -0.23 4.82 2.12 0.07 -4.90 118.70 122.40 2e5o s GLU 28 Ca -0.06 -0.84 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 2e5o s GLU 28 Cb -0.04 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 2e5o s GLU 28 CO 0.01 0.58 0.06 0.20 -0.54 0.00 0.00 175.26 175.58 2e5o s GLY 29 N -0.95 1.80 -0.01 -1.50 0.00 -1.26 -0.10 107.32 105.29 2e5o s GLY 29 Ca 0.12 -1.03 -0.10 0.00 0.00 0.00 0.00 44.72 43.72 2e5o s GLY 29 CO 0.02 0.39 0.20 0.50 0.00 0.00 0.00 173.10 174.21 2e5o s ARG 30 N 1.27 0.52 -0.10 2.90 1.81 -1.17 -4.89 118.95 119.29 2e5o s ARG 30 Ca 0.05 -0.28 0.03 0.00 -1.72 0.00 0.00 55.73 53.81 2e5o s ARG 30 Cb -0.15 0.22 0.25 0.00 -0.45 0.00 0.00 34.95 34.83 2e5o s ARG 30 CO 0.03 -0.13 1.03 -1.13 -0.68 0.00 0.00 175.30 174.42 2e5o n SER 31 N 1.52 2.76 -3.89 0.23 3.41 -1.26 -2.46 113.62 113.93 2e5o n SER 31 Ca -0.22 -2.37 -0.09 0.00 -0.26 0.00 0.00 58.87 55.94 2e5o n SER 31 Cb 0.56 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.41 0.21 -0.12 7.33 1.48 -1.26 -4.91 118.94 120.25 2e5o s TRP 32 Ca 0.18 -0.66 -0.07 0.00 -1.06 0.00 0.00 56.10 54.50 2e5o s TRP 32 Cb 0.14 -0.11 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 2e5o s TRP 32 CO 0.05 -0.53 0.12 -0.47 -4.06 0.00 0.00 176.95 172.06 2e5o s TYR 33 N -3.87 3.53 -0.31 1.66 6.14 -1.26 -4.57 117.35 118.67 2e5o s TYR 33 Ca 0.06 0.47 -0.01 0.00 0.64 0.00 0.00 57.07 58.22 2e5o s TYR 33 Cb 0.05 -1.95 0.10 0.00 0.42 0.00 0.00 41.96 40.59 2e5o s TYR 33 CO -0.11 0.66 0.10 -0.08 0.64 0.00 0.00 175.55 176.77 2e5o s THR 34 N -0.87 0.73 -2.00 4.34 -1.32 -1.26 -4.98 115.64 110.29 2e5o s THR 34 Ca 0.14 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.34 2e5o s THR 34 Cb -0.12 -1.56 0.05 0.00 -1.51 0.00 0.00 72.50 69.36 2e5o s THR 34 CO 0.03 -0.68 0.58 -0.81 -2.21 0.00 0.00 174.62 171.53 2e5o n PRO 35 N 4.91 0.49 -1.95 7.08 -0.04 -1.26 -4.73 135.00 139.49 2e5o n PRO 35 Ca -0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 2e5o n PRO 35 Cb 0.42 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.71 -0.29 0.54 5.65 -1.26 -4.96 115.29 114.67 2e5o s HIS 36 Ca 0.03 0.68 -0.08 0.00 0.25 0.00 0.00 55.06 55.94 2e5o s HIS 36 Cb 0.01 -4.08 -0.00 0.00 -1.18 0.00 0.00 32.58 27.33 2e5o s HIS 36 CO 0.02 -2.94 0.10 1.03 -0.65 0.00 0.00 174.74 172.30 2e5o s ARG 37 N 6.00 3.24 0.00 2.88 1.81 -1.26 -4.84 118.95 126.78 2e5o s ARG 37 Ca 0.81 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 2e5o s ARG 37 Cb -0.22 -3.42 0.00 0.00 -0.45 0.00 0.00 34.95 30.86 2e5o s ARG 37 CO 0.32 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 174.95 2e5o n GLY 38 N 4.91 -0.32 3.86 -3.53 0.00 -1.12 -5.01 105.19 103.98 2e5o n GLY 38 Ca -0.15 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.74 3.76 -0.13 1.61 3.52 -1.26 0.85 118.95 125.55 2e5o s ARG 39 Ca 0.00 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 2e5o s ARG 39 Cb 0.00 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.34 2e5o s ARG 39 CO 0.00 0.64 0.18 -1.17 -0.81 0.00 0.00 175.30 174.15 2e5o s LEU 40 N -1.49 -0.07 0.27 -0.88 2.96 -0.11 -4.16 118.68 115.20 2e5o s LEU 40 Ca 0.27 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 2e5o s LEU 40 Cb -0.15 0.30 -0.09 0.00 0.50 0.00 0.00 46.19 46.75 2e5o s LEU 40 CO 0.15 -0.28 1.21 0.26 -1.32 0.00 0.00 176.35 176.37 2e5o s TRP 41 N 2.30 3.34 -0.18 5.38 0.52 0.95 -0.09 118.94 131.16 2e5o s TRP 41 Ca 0.04 1.50 -0.04 0.00 0.02 0.00 0.00 56.10 57.61 2e5o s TRP 41 Cb -0.14 -3.48 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 2e5o s TRP 41 CO -0.08 -1.26 -0.02 0.42 0.02 0.00 0.00 176.95 176.03 2e5o s ILE 42 N -0.78 3.88 0.15 2.03 -1.09 0.12 0.37 121.20 125.88 2e5o s ILE 42 Ca 0.49 -0.35 0.10 0.00 -2.23 0.00 0.00 60.65 58.66 2e5o s ILE 42 Cb -0.35 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 2e5o s ILE 42 CO 0.44 0.46 -0.24 0.00 -1.23 0.00 0.00 174.94 174.37 2e5o s ALA 43 N 0.67 2.28 -0.27 9.38 0.00 -1.14 -1.58 121.76 131.11 2e5o s ALA 43 Ca -0.01 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.21 2e5o s ALA 43 Cb -0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2e5o s ALA 43 CO 0.02 0.43 0.81 0.00 0.00 0.00 0.00 175.76 177.02 2e5o s ALA 44 N -1.43 3.61 1.17 0.00 0.00 -0.17 0.14 121.76 125.08 2e5o s ALA 44 Ca 0.15 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2e5o s ALA 44 Cb -0.09 -3.28 0.25 0.00 0.00 0.00 0.00 23.12 20.00 2e5o s ALA 44 CO 0.07 -1.02 0.57 0.25 0.00 0.00 0.00 175.76 175.64 2e5o n THR 45 N 5.36 0.00 0.42 0.00 -2.24 0.76 0.56 114.28 119.13 2e5o n THR 45 Ca 0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2e5o n THR 45 Cb 0.48 -0.65 0.10 0.00 -2.10 0.00 0.00 70.33 68.16 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 -4.81 3.03 -2.90 6.98 0.00 -1.26 -1.27 120.51 120.27 2e5o n ALA 46 Ca -0.13 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 2e5o n ALA 46 Cb 0.40 -1.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.39 3.41 -0.11 0.00 2.20 -1.26 -4.90 119.74 117.70 2e5o s LYS 47 Ca 0.16 -0.57 -0.18 0.00 -0.36 0.00 0.00 55.97 55.02 2e5o s LYS 47 Cb 0.13 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2e5o s LYS 47 CO 0.04 0.32 0.48 -1.59 -0.36 0.00 0.00 175.35 174.25 2e5o s LYS 48 N 0.11 4.32 0.19 4.03 -2.85 -1.26 -4.34 119.74 119.95 2e5o s LYS 48 Ca -0.02 0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 55.11 2e5o s LYS 48 Cb -0.14 -3.42 -0.09 0.00 -2.06 0.00 0.00 37.83 32.12 2e5o s LYS 48 CO 0.03 0.19 1.31 -1.25 0.10 0.00 0.00 175.35 175.73 2e5o s PRO 49 N 0.52 4.39 0.67 1.78 0.04 -1.26 -4.99 135.00 136.15 2e5o s PRO 49 Ca 0.26 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 2e5o s PRO 49 Cb -0.15 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2e5o s PRO 49 CO 0.11 -0.25 1.05 -1.12 0.04 0.00 0.00 177.00 176.83 2e5o s SER 50 N 0.36 5.54 0.00 6.66 0.01 -1.26 -4.93 113.70 120.09 2e5o s SER 50 Ca 0.57 1.62 0.14 0.00 1.31 0.00 0.00 55.95 59.59 2e5o s SER 50 Cb -0.36 -2.50 0.66 0.00 0.21 0.00 0.00 66.02 64.03 2e5o s SER 50 CO 0.38 -1.33 1.44 -0.81 0.41 0.00 0.00 173.24 173.32 2e5o n PRO 51 N -2.92 0.08 -0.07 12.44 -0.04 -1.26 -2.46 135.00 140.78 2e5o n PRO 51 Ca 0.07 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 2e5o n PRO 51 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2e5o n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e5o n GLN 52 N -1.42 0.68 -0.19 0.54 1.13 -1.26 -3.56 117.38 113.31 2e5o n GLN 52 Ca 0.05 0.27 -0.10 0.00 -1.94 0.00 0.00 57.00 55.27 2e5o n GLN 52 Cb 0.15 -1.63 0.01 0.00 0.11 0.00 0.00 30.24 28.88 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 -0.20 1.02 0.05 -1.09 3.07 -1.92 -0.23 114.58 115.29 2e5o h GLU 53 Ca -0.49 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 57.99 2e5o h GLU 53 Cb 1.85 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 2e5o h GLU 53 CO -0.06 1.06 -0.03 0.28 -1.40 0.00 0.00 179.01 178.87 2e5o h VAL 54 N 0.90 1.14 -0.63 3.13 2.07 -1.68 0.30 116.25 121.48 2e5o h VAL 54 Ca 0.14 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2e5o h VAL 54 Cb 0.66 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2e5o h VAL 54 CO 0.05 0.16 0.26 -1.28 0.02 0.00 0.00 177.57 176.78 2e5o h SER 55 N -0.35 0.86 0.23 0.57 0.87 -1.60 0.17 113.55 114.29 2e5o h SER 55 Ca -0.01 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2e5o h SER 55 Cb 0.32 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2e5o h SER 55 CO 0.01 0.78 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.66 2e5o h GLU 56 N 0.88 -0.30 -0.89 2.24 5.08 -1.00 -2.90 114.58 117.68 2e5o h GLU 56 Ca 0.21 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2e5o h GLU 56 Cb 0.19 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2e5o h GLU 56 CO -0.02 0.05 0.59 -0.07 -1.00 0.00 0.00 179.01 178.56 2e5o h LEU 57 N -0.71 0.98 -0.53 1.33 3.38 -0.36 0.34 115.31 119.74 2e5o h LEU 57 Ca -0.03 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2e5o h LEU 57 Cb 0.48 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2e5o h LEU 57 CO 0.05 0.69 0.21 1.56 0.09 0.00 0.00 178.44 181.04 2e5o h GLN 58 N 1.15 0.39 0.13 1.13 4.20 -0.64 0.20 115.11 121.67 2e5o h GLN 58 Ca 0.35 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.76 2e5o h GLN 58 Cb -0.03 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.67 2e5o h GLN 58 CO -0.10 0.26 -1.25 0.00 -0.67 0.00 0.00 178.83 177.07 2e5o h ALA 59 N 1.35 0.08 0.15 3.87 0.00 -1.21 -2.64 119.26 120.86 2e5o h ALA 59 Ca 0.26 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2e5o h ALA 59 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2e5o h ALA 59 CO -0.24 0.95 -0.07 1.15 0.00 0.00 0.00 179.25 181.03 2e5o h THR 60 N 0.09 0.88 -0.47 0.00 2.02 0.12 -2.86 112.91 112.69 2e5o h THR 60 Ca -0.14 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 2e5o h THR 60 Cb 1.97 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2e5o h THR 60 CO 0.21 0.04 -0.12 1.88 0.37 0.00 0.00 175.52 177.89 2e5o h TYR 61 N -0.28 1.02 -1.07 3.16 0.05 -0.74 -2.74 116.97 116.37 2e5o h TYR 61 Ca -0.02 -0.22 0.29 0.00 0.05 0.00 0.00 58.73 58.83 2e5o h TYR 61 Cb 0.22 -0.25 -0.10 0.00 1.01 0.00 0.00 36.73 37.61 2e5o h TYR 61 CO -0.05 1.00 0.69 0.00 -1.05 0.00 0.00 178.16 178.76 2e5o h ARG 62 N 0.75 0.33 0.00 4.88 3.08 -1.37 1.19 114.38 123.24 2e5o h ARG 62 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2e5o h ARG 62 Cb 0.67 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2e5o h ARG 62 CO 0.05 0.22 -0.55 -0.07 -1.07 0.00 0.00 179.97 178.55 2e5o h LEU 63 N 0.34 0.00 0.00 3.04 3.38 -1.31 1.49 115.31 122.25 2e5o h LEU 63 Ca 0.62 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 58.26 2e5o h LEU 63 Cb 1.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 2e5o h LEU 63 CO -0.30 0.06 -1.36 -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 0.15 -3.40 115.31 117.10 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2e5o h LEU 64 CO 0.00 0.73 -0.83 0.54 0.09 0.00 0.00 178.44 178.96 2e5o n ARG 65 N -3.01 2.61 0.00 1.13 5.12 0.15 -5.05 116.66 117.62 2e5o n ARG 65 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2e5o n ARG 65 Cb 0.90 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 31.28 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 2.42 4.02 0.32 -0.13 0.00 0.47 -4.86 105.19 107.43 2e5o n GLY 66 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 45.04 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 2.10 -0.72 0.94 116.57 120.50 2e5o h LYS 67 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2e5o h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2e5o h LYS 67 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2e5o n ASP 68 N -2.64 0.00 -3.52 7.07 5.75 -1.26 -4.82 116.55 117.13 2e5o n ASP 68 Ca -0.01 -0.87 -0.30 0.00 -0.01 0.00 0.00 54.79 53.60 2e5o n ASP 68 Cb 0.70 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 41.07 2e5o n ASP 68 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2e5o s VAL 69 N -2.00 1.26 0.38 2.12 -7.23 0.33 -5.06 120.40 110.20 2e5o s VAL 69 Ca 0.19 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.44 2e5o s VAL 69 Cb 0.09 -2.08 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 2e5o s VAL 69 CO 0.14 0.00 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.30 2e5o s GLU 70 N -5.04 1.91 -0.19 4.82 8.01 -1.26 -5.12 118.70 121.83 2e5o s GLU 70 Ca 0.69 -2.02 -0.20 0.00 0.01 0.00 0.00 54.97 53.44 2e5o s GLU 70 Cb -0.14 -1.68 0.05 0.00 -4.31 0.00 0.00 34.13 28.05 2e5o s GLU 70 CO 0.58 0.03 0.55 -0.06 0.01 0.00 0.00 175.26 176.38 2e5o s PHE 71 N -2.66 -0.59 0.92 1.61 0.08 -1.26 -4.86 117.98 111.21 2e5o s PHE 71 Ca 0.34 1.41 -0.12 0.00 0.12 0.00 0.00 56.93 58.68 2e5o s PHE 71 Cb 0.07 0.22 0.14 0.00 -0.57 0.00 0.00 43.02 42.87 2e5o s PHE 71 CO 0.18 -0.32 1.09 -1.25 -0.10 0.00 0.00 175.22 174.82 2e5o s PRO 72 N 0.12 1.10 0.21 0.24 0.04 -1.26 -4.98 135.00 130.48 2e5o s PRO 72 Ca -0.01 0.76 0.22 0.00 0.04 0.00 0.00 61.00 62.01 2e5o s PRO 72 Cb -0.04 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2e5o s PRO 72 CO 0.02 -2.33 1.08 -0.97 0.04 0.00 0.00 177.00 174.83 2e5o h ASN 73 N -1.61 0.00 -5.24 6.66 -0.73 -2.03 -3.48 115.58 109.14 2e5o h ASN 73 Ca -0.50 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.57 2e5o h ASN 73 Cb 1.29 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.82 2e5o h ASN 73 CO 0.55 0.08 -0.01 -0.62 -0.37 0.00 0.00 177.43 177.05 2e5o s ASP 74 N -5.51 0.20 -0.40 1.15 2.15 -1.26 -5.13 116.67 107.87 2e5o s ASP 74 Ca 0.00 -1.10 0.01 0.00 0.43 0.00 0.00 52.55 51.89 2e5o s ASP 74 Cb 0.09 0.68 0.14 0.00 -0.30 0.00 0.00 42.92 43.53 2e5o s ASP 74 CO 0.78 -1.33 0.23 -0.31 -0.17 0.00 0.00 175.17 174.36 2e5o s TYR 75 N -3.35 1.33 0.99 -5.34 1.51 -1.26 -5.03 117.35 106.20 2e5o s TYR 75 Ca 0.22 -2.02 -0.12 0.00 -1.01 0.00 0.00 57.07 54.14 2e5o s TYR 75 Cb -0.02 -1.38 0.18 0.00 -0.11 0.00 0.00 41.96 40.63 2e5o s TYR 75 CO 0.13 -0.81 1.09 -1.25 -1.11 0.00 0.00 175.55 173.60 2e5o s PRO 76 N 0.71 0.51 -0.01 -1.71 0.04 -1.26 -4.78 135.00 128.50 2e5o s PRO 76 Ca 0.18 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.80 2e5o s PRO 76 Cb -0.23 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2e5o s PRO 76 CO 0.00 -2.69 -0.07 -1.12 0.04 0.00 0.00 177.00 173.17 2e5o s SER 77 N -3.45 0.78 -0.93 6.66 0.01 -1.26 -4.77 113.70 110.74 2e5o s SER 77 Ca 0.65 -0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.76 2e5o s SER 77 Cb -0.19 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2e5o s SER 77 CO 0.58 0.08 0.79 0.61 0.41 0.00 0.00 173.24 175.71 2e5o n GLY 78 N 2.96 -0.14 3.31 3.44 0.00 0.19 -4.88 105.19 110.08 2e5o n GLY 78 Ca -0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.40 4.01 0.00 0.00 0.20 -0.86 -1.00 118.68 118.63 2e5o s LEU 80 Ca -0.01 1.13 0.00 0.00 0.69 0.00 0.00 54.13 55.94 2e5o s LEU 80 Cb 0.01 -3.49 0.00 0.00 -0.43 0.00 0.00 46.19 42.27 2e5o s LEU 80 CO -0.07 -0.78 0.00 0.18 -0.29 0.00 0.00 176.35 175.39 2e5o n LEU 81 N 6.60 0.23 0.00 -0.68 4.77 -0.79 -4.07 117.00 123.06 2e5o n LEU 81 Ca 0.11 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2e5o n LEU 81 Cb 0.47 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2e5o n LEU 81 CO 0.56 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2e5o n GLY 82 N 1.92 4.77 3.60 -0.72 0.00 -0.61 -0.59 105.19 113.56 2e5o n GLY 82 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.90 -0.00 -0.38 0.00 -7.23 0.87 -2.54 120.40 107.21 2e5o s VAL 84 Ca 0.11 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.01 2e5o s VAL 84 Cb -0.02 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.23 2e5o s VAL 84 CO 0.01 0.00 1.03 -0.62 -0.31 0.00 0.00 175.10 175.21 2e5o s ASP 85 N 0.42 6.75 -0.87 4.85 2.15 0.11 -0.93 116.67 129.15 2e5o s ASP 85 Ca -0.01 0.71 -0.25 0.00 0.43 0.00 0.00 52.55 53.43 2e5o s ASP 85 Cb -0.04 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 2e5o s ASP 85 CO -0.01 -0.97 1.50 -0.22 -0.17 0.00 0.00 175.17 175.29 2e5o s LEU 86 N 3.79 3.32 0.11 -1.34 0.20 0.25 0.53 118.68 125.55 2e5o s LEU 86 Ca 0.43 -0.83 -0.19 0.00 0.69 0.00 0.00 54.13 54.23 2e5o s LEU 86 Cb -0.11 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.03 2e5o s LEU 86 CO 0.21 -1.87 1.67 0.16 -0.29 0.00 0.00 176.35 176.23 2e5o h ILE 87 N 6.61 1.16 -2.45 6.68 -2.65 -1.28 -2.96 117.51 122.61 2e5o h ILE 87 Ca -0.02 -0.46 0.16 0.00 1.03 0.00 0.00 64.86 65.57 2e5o h ILE 87 Cb 1.04 0.97 -0.07 0.00 -2.05 0.00 0.00 36.82 36.70 2e5o h ILE 87 CO 1.33 0.16 0.44 -1.81 0.03 0.00 0.00 178.15 178.30 2e5o s ASP 88 N -5.64 -0.18 -0.30 2.16 1.01 -1.19 -4.88 116.67 107.65 2e5o s ASP 88 Ca -0.13 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.68 2e5o s ASP 88 Cb 0.08 0.53 0.09 0.00 1.01 0.00 0.00 42.92 44.64 2e5o s ASP 88 CO 0.72 -0.98 0.06 0.00 0.21 0.00 0.00 175.17 175.18 2e5o s LEU 90 N 1.42 3.37 0.40 0.00 1.43 -0.29 -4.86 118.68 120.15 2e5o s LEU 90 Ca 0.07 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 2e5o s LEU 90 Cb -0.18 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2e5o s LEU 90 CO -0.17 -1.09 0.36 -0.94 0.23 0.00 0.00 176.35 174.74 2e5o s SER 91 N -4.44 5.07 0.64 2.29 1.04 -1.26 0.61 113.70 117.64 2e5o s SER 91 Ca 0.58 -0.71 0.16 0.00 0.48 0.00 0.00 55.95 56.46 2e5o s SER 91 Cb -0.10 -0.63 0.73 0.00 0.10 0.00 0.00 66.02 66.13 2e5o s SER 91 CO 0.37 -0.60 1.36 1.56 0.98 0.00 0.00 173.24 176.90 2e5o h GLN 92 N 1.07 0.00 0.00 4.02 1.08 -0.82 0.94 115.11 121.40 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 0.58 0.00 -0.14 1.17 -0.95 0.00 0.00 178.83 179.48 2e5o n LYS 93 N -2.92 0.11 -0.15 1.46 4.81 -1.26 -4.19 118.16 116.01 2e5o n LYS 93 Ca 0.07 0.24 -0.04 0.00 -0.87 0.00 0.00 58.31 57.72 2e5o n LYS 93 Cb 1.00 -0.90 0.05 0.00 0.02 0.00 0.00 35.03 35.21 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 -0.23 0.39 -0.81 1.64 1.08 -1.74 0.14 115.11 115.58 2e5o h GLN 94 Ca 0.00 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 2e5o h GLN 94 Cb 0.14 -0.09 -0.11 0.00 -0.05 0.00 0.00 27.48 27.37 2e5o h GLN 94 CO 0.00 0.26 -0.54 0.35 -0.95 0.00 0.00 178.83 177.94 2e5o h PHE 95 N 0.40 -1.70 -0.23 2.96 3.57 0.65 0.37 116.94 122.97 2e5o h PHE 95 Ca 0.22 0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 2e5o h PHE 95 Cb 0.19 0.85 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2e5o h PHE 95 CO -0.13 -0.41 -0.15 1.57 -2.23 0.00 0.00 178.31 176.96 2e5o h LYS 96 N -0.12 0.50 -0.76 1.11 2.10 -1.64 0.54 116.57 118.30 2e5o h LYS 96 Ca 0.16 -0.23 0.11 0.00 -2.00 0.00 0.00 60.65 58.69 2e5o h LYS 96 Cb 0.49 -0.01 -0.13 0.00 -0.90 0.00 0.00 32.23 31.69 2e5o h LYS 96 CO -0.84 0.79 -0.42 0.93 -2.00 0.00 0.00 179.45 177.92 2e5o h GLU 97 N 0.20 -0.12 0.14 0.07 5.08 0.42 1.19 114.58 121.57 2e5o h GLU 97 Ca 0.05 0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.15 2e5o h GLU 97 Cb 0.66 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.95 2e5o h GLU 97 CO 0.04 -0.08 -1.26 1.96 -1.00 0.00 0.00 179.01 178.67 2e5o h GLN 98 N -0.12 0.30 -2.33 2.33 4.20 -1.02 -3.39 115.11 115.07 2e5o h GLN 98 Ca 0.24 -0.51 -0.64 0.00 0.06 0.00 0.00 58.65 57.80 2e5o h GLN 98 Cb 0.56 0.19 -0.39 0.00 0.30 0.00 0.00 27.48 28.13 2e5o h GLN 98 CO -0.81 1.24 -0.30 1.19 -0.67 0.00 0.00 178.83 179.49 2e5o n PHE 99 N -3.95 3.43 0.43 2.96 3.01 0.19 -4.85 117.46 118.69 2e5o n PHE 99 Ca -0.21 -3.80 0.10 0.00 1.01 0.00 0.00 57.45 54.55 2e5o n PHE 99 Cb 0.91 -0.69 0.42 0.00 -0.01 0.00 0.00 39.48 40.10 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 0.75 0.12 0.16 -1.08 -0.04 0.41 -2.31 135.00 133.01 2e5o n PRO 100 Ca 0.30 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 2e5o n PRO 100 Cb 0.39 -1.73 0.46 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.89 -3.13 116.42 120.13 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 0.31 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2e5o h ASP 101 CO 0.00 0.00 -0.28 2.30 -3.12 0.00 0.00 179.24 178.14 2e5o n ILE 102 N -2.53 1.08 0.29 0.35 -5.35 -0.98 -4.78 119.36 107.45 2e5o n ILE 102 Ca 0.03 -1.39 0.14 0.00 -0.27 0.00 0.00 62.75 61.26 2e5o n ILE 102 Cb 0.34 0.11 0.87 0.00 -1.74 0.00 0.00 39.64 39.23 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 0.12 0.00 0.32 7.28 4.64 -1.47 -1.89 113.55 122.54 2e5o h SER 103 Ca -0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 2e5o h SER 103 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 2e5o h SER 103 CO 0.01 0.01 -1.92 0.00 -0.87 0.00 0.00 176.83 174.05 2e5o n GLN 104 N -3.93 0.65 -0.35 4.77 -0.00 -1.26 -4.22 117.38 113.04 2e5o n GLN 104 Ca -0.03 0.15 0.25 0.00 -0.00 0.00 0.00 57.00 57.37 2e5o n GLN 104 Cb 0.09 -1.68 0.52 0.00 -0.00 0.00 0.00 30.24 29.17 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 0.34 -6.38 2.61 5.08 -1.66 -3.40 114.58 111.17 2e5o h GLU 105 Ca -0.35 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.36 2e5o h GLU 105 Cb 1.98 -0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.99 2e5o h GLU 105 CO 0.05 0.23 -0.79 0.45 -1.00 0.00 0.00 179.01 177.95 2e5o s SER 106 N -5.10 3.52 0.00 1.42 0.15 -1.22 -5.01 113.70 107.46 2e5o s SER 106 Ca -0.09 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2e5o s SER 106 Cb 0.27 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2e5o s SER 106 CO 0.80 0.07 0.00 -0.67 1.20 0.00 0.00 173.24 174.64 2e5o n ASP 107 N -0.25 3.71 -4.32 5.45 2.03 -1.26 -4.91 116.55 116.99 2e5o n ASP 107 Ca -0.08 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.89 2e5o n ASP 107 Cb 0.58 0.40 0.11 0.00 -0.72 0.00 0.00 41.12 41.49 2e5o n ASP 107 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2e5o n SER 108 N -1.58 -2.75 -0.10 1.67 7.64 -1.26 -4.91 113.62 112.33 2e5o n SER 108 Ca 0.00 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 2e5o n SER 108 Cb 0.34 -1.09 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 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 -1.53 0.80 -4.60 1.43 0.13 -1.93 -3.39 132.00 122.91 2e5o h PRO 109 Ca -0.45 -0.42 -0.68 0.00 -0.87 0.00 0.00 66.00 63.58 2e5o h PRO 109 Cb 1.30 0.02 -0.36 0.00 0.13 0.00 0.00 31.00 32.08 2e5o h PRO 109 CO 0.33 1.06 -0.63 -0.06 -0.23 0.00 0.00 178.00 178.46 2e5o s PHE 110 N -4.38 3.59 0.15 1.56 0.08 -1.03 -0.26 117.98 117.69 2e5o s PHE 110 Ca -0.12 -2.52 -0.24 0.00 0.12 0.00 0.00 56.93 54.17 2e5o s PHE 110 Cb 0.10 -2.94 -0.08 0.00 -0.57 0.00 0.00 43.02 39.53 2e5o s PHE 110 CO 0.85 -0.94 0.74 0.08 -0.10 0.00 0.00 175.22 175.85 2e5o s VAL 111 N 1.08 4.44 -0.42 -0.44 1.01 0.20 -3.07 120.40 123.21 2e5o s VAL 111 Ca 0.07 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.57 2e5o s VAL 111 Cb -0.21 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.14 2e5o s VAL 111 CO -0.05 0.53 0.26 -0.36 0.00 0.00 0.00 175.10 175.48 2e5o s PHE 112 N -1.11 3.32 -0.15 5.22 0.08 0.86 -1.14 117.98 125.06 2e5o s PHE 112 Ca 0.35 -1.41 -0.29 0.00 0.12 0.00 0.00 56.93 55.69 2e5o s PHE 112 Cb -0.22 -2.90 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 2e5o s PHE 112 CO 0.25 -0.82 1.33 0.42 -0.10 0.00 0.00 175.22 176.30 2e5o s ILE 113 N 1.46 4.17 0.17 0.64 1.01 0.13 -0.75 121.20 128.03 2e5o s ILE 113 Ca 0.03 1.41 0.10 0.00 0.00 0.00 0.00 60.65 62.19 2e5o s ILE 113 Cb -0.23 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2e5o s ILE 113 CO 0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 174.94 174.63 2e5o s LYS 115 N -2.64 1.66 -1.28 0.00 -0.14 0.19 -4.60 119.74 112.92 2e5o s LYS 115 Ca 0.17 -1.89 -0.03 0.00 -1.36 0.00 0.00 55.97 52.87 2e5o s LYS 115 Cb -0.07 0.33 -0.00 0.00 -1.68 0.00 0.00 37.83 36.41 2e5o s LYS 115 CO 0.08 -0.62 0.70 0.09 -0.76 0.00 0.00 175.35 174.85 2e5o n ASN 116 N -1.24 -1.83 -4.66 2.83 3.02 -1.26 0.05 115.26 112.16 2e5o n ASN 116 Ca 0.05 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.33 2e5o n ASN 116 Cb 0.63 -3.99 -0.03 0.00 -0.61 0.00 0.00 39.78 35.78 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 -5.92 4.21 -0.01 3.52 0.04 -1.26 -4.45 135.00 131.12 2e5o s PRO 117 Ca 0.08 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.16 2e5o s PRO 117 Cb -0.02 -3.87 -0.00 0.00 0.04 0.00 0.00 34.50 30.64 2e5o s PRO 117 CO 0.82 -0.78 -0.09 1.14 0.04 0.00 0.00 177.00 178.13 2e5o s GLN 118 N 3.69 0.77 -0.25 4.56 -2.07 -1.03 -4.63 119.66 120.71 2e5o s GLN 118 Ca 0.67 -0.31 -0.10 0.00 -1.82 0.00 0.00 55.36 53.80 2e5o s GLN 118 Cb -0.30 -0.74 -0.04 0.00 -1.09 0.00 0.00 33.01 30.84 2e5o s GLN 118 CO 0.25 0.17 0.14 -2.00 -1.32 0.00 0.00 175.29 172.53 2e5o s GLU 119 N -0.10 3.94 0.28 9.60 -6.30 -1.12 -1.79 118.70 123.20 2e5o s GLU 119 Ca 0.02 -0.34 -0.30 0.00 -2.50 0.00 0.00 54.97 51.86 2e5o s GLU 119 Cb -0.05 -3.49 -0.10 0.00 0.00 0.00 0.00 34.13 30.49 2e5o s GLU 119 CO -0.00 -0.03 1.41 -1.64 0.02 0.00 0.00 175.26 175.01 2e5o s MET 120 N 1.29 4.28 0.52 4.30 -1.94 0.24 -4.69 119.30 123.31 2e5o s MET 120 Ca 0.06 2.30 0.21 0.00 -1.71 0.00 0.00 55.69 56.56 2e5o s MET 120 Cb -0.14 -3.09 1.37 0.00 2.01 0.00 0.00 34.83 34.98 2e5o s MET 120 CO 0.06 -0.37 2.11 0.28 -0.01 0.00 0.00 175.02 177.09 2e5o h VAL 121 N 3.38 0.83 -4.16 -6.03 2.07 -1.63 -3.42 116.25 107.29 2e5o h VAL 121 Ca -0.47 -0.30 -0.52 0.00 0.82 0.00 0.00 66.70 66.24 2e5o h VAL 121 Cb 1.22 1.17 -0.27 0.00 -1.52 0.00 0.00 31.29 31.90 2e5o h VAL 121 CO 0.74 0.08 -0.82 0.54 0.02 0.00 0.00 177.57 178.13 2e5o s VAL 122 N -4.65 1.36 -0.01 2.57 0.11 -1.26 -5.15 120.40 113.38 2e5o s VAL 122 Ca -0.04 -0.97 0.05 0.00 -2.93 0.00 0.00 61.98 58.09 2e5o s VAL 122 Cb 0.15 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2e5o s VAL 122 CO 0.63 0.19 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.91 2e5o s LYS 123 N -0.90 2.36 0.03 1.54 1.02 -1.26 -4.90 119.74 117.62 2e5o s LYS 123 Ca 0.05 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.26 2e5o s LYS 123 Cb -0.08 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2e5o s LYS 123 CO 0.01 0.59 0.00 -0.06 -0.92 0.00 0.00 175.35 174.97 2e5o s PHE 124 N -0.86 3.05 -0.90 3.18 0.08 -1.26 -4.85 117.98 116.42 2e5o s PHE 124 Ca 0.14 0.05 -0.25 0.00 0.12 0.00 0.00 56.93 56.99 2e5o s PHE 124 Cb -0.11 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2e5o s PHE 124 CO 0.04 0.47 1.95 -1.25 -0.10 0.00 0.00 175.22 176.32 2e5o s PRO 125 N -1.80 2.56 0.18 0.24 0.04 -1.26 -2.02 135.00 132.94 2e5o s PRO 125 Ca 0.22 -0.30 0.08 0.00 0.04 0.00 0.00 61.00 61.04 2e5o s PRO 125 Cb -0.12 -5.07 -0.04 0.00 0.04 0.00 0.00 34.50 29.32 2e5o s PRO 125 CO 0.13 -3.38 -0.16 0.96 0.04 0.00 0.00 177.00 174.59 2e5o s ILE 126 N 10.08 1.73 0.33 0.56 -5.25 -0.56 -4.97 121.20 123.12 2e5o s ILE 126 Ca 0.70 -2.06 -0.03 0.00 -0.99 0.00 0.00 60.65 58.27 2e5o s ILE 126 Cb -0.07 -1.92 -0.04 0.00 2.95 0.00 0.00 42.46 43.38 2e5o s ILE 126 CO -0.01 -0.48 0.58 -1.59 -1.79 0.00 0.00 174.94 171.65 2e5o s LYS 127 N -3.25 3.57 0.45 0.37 -2.85 -1.26 -2.80 119.74 113.96 2e5o s LYS 127 Ca 0.19 -0.08 0.07 0.00 -1.00 0.00 0.00 55.97 55.14 2e5o s LYS 127 Cb -0.03 -2.62 0.07 0.00 -2.06 0.00 0.00 37.83 33.20 2e5o s LYS 127 CO 0.06 0.14 0.59 0.41 0.10 0.00 0.00 175.35 176.65 2e5o n GLY 128 N -1.40 2.08 3.60 0.59 0.00 -1.26 -4.95 105.19 103.85 2e5o n GLY 128 Ca -0.02 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 2e5o n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2e5o s ASN 129 N -3.78 -0.35 0.00 1.61 2.47 -1.26 -5.00 114.94 108.62 2e5o s ASN 129 Ca 0.44 0.49 0.15 0.00 0.42 0.00 0.00 52.86 54.36 2e5o s ASN 129 Cb -0.04 0.43 0.90 0.00 -1.45 0.00 0.00 41.25 41.10 2e5o s ASN 129 CO 0.28 -0.25 1.32 -0.81 -3.72 0.00 0.00 177.10 173.92 2e5o n PRO 130 N 1.15 0.49 -2.68 0.43 -0.04 -1.26 -3.99 135.00 129.11 2e5o n PRO 130 Ca -0.10 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.29 2e5o n PRO 130 Cb 0.57 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.58 -2.86 0.54 4.76 -1.26 -4.97 118.16 113.96 2e5o n LYS 131 Ca 0.11 -0.99 -0.41 0.00 -2.87 0.00 0.00 58.31 54.16 2e5o n LYS 131 Cb 0.05 0.63 -0.04 0.00 -1.84 0.00 0.00 35.03 33.83 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 -2.13 4.92 -0.19 -0.18 1.01 -1.26 -4.51 121.20 118.87 2e5o s ILE 132 Ca 0.08 1.79 -0.03 0.00 0.00 0.00 0.00 60.65 62.48 2e5o s ILE 132 Cb 0.00 -4.20 0.06 0.00 0.01 0.00 0.00 42.46 38.34 2e5o s ILE 132 CO 0.06 0.21 0.05 -1.66 0.00 0.00 0.00 174.94 173.60 2e5o s TRP 133 N 0.83 0.77 0.08 3.97 1.48 -1.06 -5.01 118.94 120.01 2e5o s TRP 133 Ca 0.45 -0.69 -0.34 0.00 -1.06 0.00 0.00 56.10 54.46 2e5o s TRP 133 Cb -0.20 -0.92 -0.13 0.00 -1.16 0.00 0.00 33.47 31.06 2e5o s TRP 133 CO 0.24 -0.58 1.65 1.17 -4.06 0.00 0.00 176.95 175.37 2e5o n LYS 134 N 5.12 2.09 -0.53 3.25 4.81 -1.26 -3.63 118.16 128.00 2e5o n LYS 134 Ca -0.08 0.76 -0.30 0.00 -0.87 0.00 0.00 58.31 57.82 2e5o n LYS 134 Cb 0.48 -2.54 0.23 0.00 0.02 0.00 0.00 35.03 33.22 2e5o n LYS 134 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2e5o n LEU 135 N 4.29 -1.83 -4.79 3.14 4.77 -1.25 -4.94 117.00 116.39 2e5o n LEU 135 Ca 0.19 -0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 2e5o n LEU 135 Cb 0.28 -1.16 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 2e5o n LEU 135 CO 0.66 -3.26 0.70 -0.62 -1.33 0.00 0.00 177.39 173.55 2e5o s ASP 136 N -2.22 4.55 0.18 -1.43 2.15 -1.26 -4.78 116.67 113.87 2e5o s ASP 136 Ca 0.65 1.47 -0.11 0.00 0.43 0.00 0.00 52.55 54.98 2e5o s ASP 136 Cb -0.21 -2.23 0.09 0.00 -0.30 0.00 0.00 42.92 40.27 2e5o s ASP 136 CO 0.66 -1.95 1.75 -1.28 -0.17 0.00 0.00 175.17 174.17 2e5o h SER 137 N -1.07 0.86 0.49 -0.34 0.87 -2.00 0.42 113.55 112.79 2e5o h SER 137 Ca -0.46 -0.16 -0.23 0.00 -1.23 0.00 0.00 61.79 59.71 2e5o h SER 137 Cb 1.25 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2e5o h SER 137 CO 0.57 0.78 -1.00 0.11 -0.53 0.00 0.00 176.83 176.76 2e5o h LYS 138 N 0.89 0.31 -0.17 2.24 1.57 -2.02 -3.28 116.57 116.12 2e5o h LYS 138 Ca 0.21 -0.38 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 2e5o h LYS 138 Cb 0.18 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2e5o h LYS 138 CO -0.02 1.09 -0.64 0.82 -0.57 0.00 0.00 179.45 180.13 2e5o h ILE 139 N 0.15 1.32 -0.06 1.86 1.08 -1.88 -3.20 117.51 116.78 2e5o h ILE 139 Ca -0.08 -1.91 0.02 0.00 -0.39 0.00 0.00 64.86 62.50 2e5o h ILE 139 Cb 1.66 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 37.25 2e5o h ILE 139 CO 0.17 0.59 -0.34 -0.74 -0.69 0.00 0.00 178.15 177.14 2e5o h HIS 140 N 0.44 -1.00 0.02 1.37 2.76 -0.21 -1.44 115.15 117.09 2e5o h HIS 140 Ca -0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2e5o h HIS 140 Cb 1.21 0.44 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 2e5o h HIS 140 CO 0.06 -0.34 -0.12 1.96 -1.30 0.00 0.00 177.93 178.19 2e5o h GLN 141 N -0.37 -0.16 -0.69 5.26 4.20 -1.66 -2.43 115.11 119.26 2e5o h GLN 141 Ca 0.02 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.84 2e5o h GLN 141 Cb 0.43 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.13 2e5o h GLN 141 CO -0.26 -0.10 -0.28 0.41 -0.67 0.00 0.00 178.83 177.93 2e5o n GLY 142 N -1.11 -1.44 0.29 3.46 0.00 -1.18 0.19 105.19 105.41 2e5o n GLY 142 Ca -0.02 0.78 0.05 0.00 0.00 0.00 0.00 46.02 46.83 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 0.94 1.13 0.00 4.61 0.00 -0.88 0.60 119.26 125.65 2e5o h ALA 143 Ca 0.24 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2e5o h ALA 143 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2e5o h ALA 143 CO -0.69 -0.12 0.00 0.87 0.00 0.00 0.00 179.25 179.32 2e5o h LYS 144 N 0.56 0.00 0.00 0.00 1.57 0.26 -2.67 116.57 116.29 2e5o h LYS 144 Ca 0.42 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.82 2e5o h LYS 144 Cb 0.57 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2e5o h LYS 144 CO -0.35 0.00 -2.39 1.63 -0.57 0.00 0.00 179.45 177.77 2e5o n LYS 145 N -2.36 0.67 0.00 3.15 4.76 0.16 -4.24 118.16 120.30 2e5o n LYS 145 Ca 0.01 0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.54 2e5o n LYS 145 Cb 0.16 -1.53 0.16 0.00 -1.84 0.00 0.00 35.03 31.98 2e5o n LYS 145 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2e5o n GLY 146 N 1.95 -0.40 0.92 0.72 0.00 0.16 -2.44 105.19 106.10 2e5o n GLY 146 Ca -0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 2e5o n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e5o n LEU 147 N -1.20 2.51 -4.83 0.99 4.77 -1.21 -1.82 117.00 116.20 2e5o n LEU 147 Ca 0.03 -1.28 -0.36 0.00 -0.03 0.00 0.00 56.01 54.37 2e5o n LEU 147 Cb 0.04 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 2e5o n LEU 147 CO 0.04 0.41 -0.15 0.00 -1.33 0.00 0.00 177.39 176.36 2e5o s MET 148 N -1.13 3.70 -1.61 3.23 0.23 -1.02 -4.39 119.30 118.31 2e5o s MET 148 Ca 0.11 -0.12 -0.14 0.00 -1.03 0.00 0.00 55.69 54.51 2e5o s MET 148 Cb 0.09 -3.26 0.11 0.00 -1.53 0.00 0.00 34.83 30.23 2e5o s MET 148 CO 0.03 0.62 0.73 1.63 -2.03 0.00 0.00 175.02 176.00 2e5o n LYS 149 N 2.46 -3.53 0.00 3.16 5.02 -1.26 -4.66 118.16 119.35 2e5o n LYS 149 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2e5o n LYS 149 Cb 0.54 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 2e5o n LYS 149 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2e5o n GLN 150 N -4.44 0.00 -4.23 1.97 1.13 -1.26 -4.77 117.38 105.78 2e5o n GLN 150 Ca -0.02 0.74 -0.13 0.00 -1.94 0.00 0.00 57.00 55.65 2e5o n GLN 150 Cb 0.54 -1.18 -0.10 0.00 0.11 0.00 0.00 30.24 29.61 2e5o n GLN 150 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2e5o s ASN 151 N -2.89 0.79 0.05 1.08 0.01 -1.26 -4.72 114.94 108.01 2e5o s ASN 151 Ca 0.00 -1.28 -0.15 0.00 -0.71 0.00 0.00 52.86 50.72 2e5o s ASN 151 Cb 0.00 0.22 -0.29 0.00 0.41 0.00 0.00 41.25 41.59 2e5o s ASN 151 CO 0.00 -0.70 1.10 0.11 -1.51 0.00 0.00 177.10 176.10 2e5o h LYS 152 N 2.63 0.63 0.49 -0.60 1.57 -2.03 -3.34 116.57 115.92 2e5o h LYS 152 Ca -0.37 -0.83 -0.01 0.00 -1.87 0.00 0.00 60.65 57.57 2e5o h LYS 152 Cb 1.22 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 2e5o h LYS 152 CO 0.59 1.38 -0.51 0.00 -0.57 0.00 0.00 179.45 180.34 2e5o h ALA 153 N 0.28 -1.14 0.00 3.86 0.00 -2.00 -3.55 119.26 116.72 2e5o h ALA 153 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2e5o h ALA 153 Cb 1.90 0.74 0.00 0.00 0.00 0.00 0.00 17.79 20.43 2e5o h ALA 153 CO 0.24 -1.18 0.00 1.55 0.00 0.00 0.00 179.25 179.86