#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s n SER 2 N 0.00 0.00 -0.05 4.31 2.88 -1.26 -5.07 113.62 114.43 2a3s n SER 2 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2a3s n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2a3s n SER 2 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2a3s h LYS 3 N 0.00 -0.02 -6.63 -1.46 6.56 -2.03 -3.43 116.57 109.55 2a3s h LYS 3 Ca 0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 2a3s h LYS 3 Cb 0.00 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 31.60 2a3s h LYS 3 CO 0.00 0.57 0.98 -1.25 -2.06 0.00 0.00 179.45 177.69 2a3s s PRO 4 N -2.17 3.62 0.00 3.15 0.04 -1.26 -4.86 135.00 133.52 2a3s s PRO 4 Ca -0.12 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2a3s s PRO 4 Cb -0.02 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2a3s s PRO 4 CO 0.44 -1.53 0.00 -0.35 0.04 0.00 0.00 177.00 175.60 2a3s n PRO 5 N 8.08 0.00 -3.46 0.56 -0.04 -1.26 -4.89 135.00 133.99 2a3s n PRO 5 Ca 0.12 0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 2a3s n PRO 5 Cb 0.49 -0.77 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 2a3s n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a3s s TYR 6 N -0.72 3.72 0.46 0.54 2.02 -1.26 -4.33 117.35 117.78 2a3s s TYR 6 Ca 0.00 1.02 -0.22 0.00 -0.37 0.00 0.00 57.07 57.49 2a3s s TYR 6 Cb 0.00 -2.33 -0.10 0.00 -0.40 0.00 0.00 41.96 39.13 2a3s s TYR 6 CO 0.00 0.60 0.86 0.43 -1.57 0.00 0.00 175.55 175.87 2a3s n SER 7 N 1.94 0.52 -3.27 2.29 7.64 -1.26 -4.38 113.62 117.10 2a3s n SER 7 Ca -0.13 0.95 -0.25 0.00 1.01 0.00 0.00 58.87 60.45 2a3s n SER 7 Cb 0.52 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2a3s n TYR 8 N -0.85 1.31 0.00 1.43 4.01 -1.26 -0.74 117.16 121.07 2a3s n TYR 8 Ca 0.11 -1.75 0.00 0.00 -0.16 0.00 0.00 57.90 56.09 2a3s n TYR 8 Cb 0.41 -1.55 0.00 0.00 -0.31 0.00 0.00 39.34 37.89 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a3s n ALA 9 N 5.12 0.00 0.02 -0.72 0.00 -1.26 -4.79 120.51 118.88 2a3s n ALA 9 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 2a3s n ALA 9 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 2a3s n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2a3s n GLN 10 N -1.30 0.62 -0.15 0.00 0.00 -0.65 -3.14 117.38 112.78 2a3s n GLN 10 Ca 0.00 0.24 -0.03 0.00 -0.00 0.00 0.00 57.00 57.21 2a3s n GLN 10 Cb 0.00 -1.80 0.18 0.00 0.00 0.00 0.00 30.24 28.62 2a3s n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2a3s h LEU 11 N 0.00 0.80 0.03 1.69 5.85 -1.14 -1.83 115.31 120.72 2a3s h LEU 11 Ca -0.20 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2a3s h LEU 11 Cb 1.70 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2a3s h LEU 11 CO 0.05 0.78 -0.02 0.40 -0.34 0.00 0.00 178.44 179.32 2a3s h ILE 12 N 0.83 1.23 -0.22 4.05 1.08 -1.77 -1.15 117.51 121.57 2a3s h ILE 12 Ca 0.19 -0.84 0.06 0.00 -0.39 0.00 0.00 64.86 63.87 2a3s h ILE 12 Cb 0.28 1.79 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 2a3s h ILE 12 CO -0.00 0.21 -0.26 0.58 -0.69 0.00 0.00 178.15 177.99 2a3s h VAL 13 N -0.41 0.36 -0.25 1.67 2.07 -1.43 1.00 116.25 119.27 2a3s h VAL 13 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2a3s h VAL 13 Cb 0.38 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2a3s h VAL 13 CO 0.01 0.00 0.17 -0.61 0.02 0.00 0.00 177.57 177.16 2a3s h GLN 14 N -0.29 0.11 -0.02 1.57 4.15 -1.33 2.41 115.11 121.71 2a3s h GLN 14 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2a3s h GLN 14 Cb 0.48 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 2a3s h GLN 14 CO -0.38 0.07 -0.02 0.00 -1.93 0.00 0.00 178.83 176.57 2a3s h ALA 15 N 1.87 0.03 0.00 3.38 0.00 0.18 -3.23 119.26 121.49 2a3s h ALA 15 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a3s h ALA 15 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2a3s h ALA 15 CO -0.01 -0.21 -0.51 -0.84 0.00 0.00 0.00 179.25 177.68 2a3s h ILE 16 N -0.44 0.00 0.00 0.00 3.07 0.14 -3.24 117.51 117.04 2a3s h ILE 16 Ca 0.00 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.66 2a3s h ILE 16 Cb 0.52 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 2a3s h ILE 16 CO 0.00 0.00 0.00 0.28 -1.05 0.00 0.00 178.15 177.38 2a3s h SER 17 N 0.00 0.00 0.00 2.16 0.02 0.41 -2.34 113.55 113.80 2a3s h SER 17 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a3s h SER 17 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2a3s h SER 17 CO 0.00 0.00 -0.75 -0.24 -1.14 0.00 0.00 176.83 174.70 2a3s n SER 18 N -2.93 0.76 -3.95 3.07 2.88 -1.22 -4.99 113.62 107.23 2a3s n SER 18 Ca -0.00 -0.74 -0.29 0.00 -1.33 0.00 0.00 58.87 56.50 2a3s n SER 18 Cb 0.21 1.07 0.28 0.00 -0.75 0.00 0.00 64.21 65.01 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s n ALA 19 N -1.39 -4.03 -1.00 -1.46 0.00 -0.88 -4.93 120.51 106.83 2a3s n ALA 19 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.91 2a3s n ALA 19 Cb 0.23 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2a3s n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3s n GLN 20 N -5.35 0.00 -0.04 0.00 0.00 -1.26 -4.37 117.38 106.36 2a3s n GLN 20 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 57.06 2a3s n GLN 20 Cb 0.57 -0.44 -0.00 0.00 0.00 0.00 0.00 30.24 30.37 2a3s n GLN 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2a3s h ASP 21 N 0.00 0.00 0.00 2.61 3.32 -1.91 -3.47 116.42 116.97 2a3s h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a3s h ASP 21 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2a3s h ASP 21 CO 0.00 0.43 0.00 -2.11 -1.72 0.00 0.00 179.24 175.84 2a3s n ARG 22 N -4.20 0.00 -4.14 3.56 1.85 -1.26 -4.96 116.66 107.51 2a3s n ARG 22 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.71 2a3s n ARG 22 Cb 0.04 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.34 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2a3s s GLN 23 N 0.00 0.75 0.01 2.89 0.00 -1.26 -2.91 119.66 119.15 2a3s s GLN 23 Ca 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 55.36 54.29 2a3s s GLN 23 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 33.01 32.59 2a3s s GLN 23 CO 0.00 0.06 -0.01 -0.51 0.00 0.00 0.00 175.29 174.82 2a3s s LEU 24 N -2.29 2.10 0.66 2.60 1.43 -0.11 -4.56 118.68 118.52 2a3s s LEU 24 Ca 0.02 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2a3s s LEU 24 Cb -0.04 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.21 2a3s s LEU 24 CO -0.01 -0.13 1.06 0.42 0.23 0.00 0.00 176.35 177.93 2a3s s THR 25 N -0.62 4.16 0.41 5.49 -4.23 -1.26 -2.82 115.64 116.77 2a3s s THR 25 Ca -0.07 0.70 0.19 0.00 -1.18 0.00 0.00 61.69 61.34 2a3s s THR 25 Cb -0.04 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.54 2a3s s THR 25 CO -0.00 -0.92 1.79 0.25 -0.54 0.00 0.00 174.62 175.20 2a3s h LEU 26 N -0.51 0.41 -3.93 4.79 6.46 -1.95 0.97 115.31 121.55 2a3s h LEU 26 Ca -0.44 0.07 -0.49 0.00 -0.12 0.00 0.00 57.88 56.90 2a3s h LEU 26 Cb 1.22 0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 40.86 2a3s h LEU 26 CO 0.62 0.10 0.62 -1.20 -0.62 0.00 0.00 178.44 177.96 2a3s n SER 27 N -4.57 3.78 -0.13 1.25 7.64 -1.26 -4.31 113.62 116.02 2a3s n SER 27 Ca 0.24 -3.54 -0.25 0.00 1.01 0.00 0.00 58.87 56.33 2a3s n SER 27 Cb 0.86 -0.83 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3s n GLY 28 N -1.05 -0.40 0.33 0.23 0.00 0.33 -3.99 105.19 100.64 2a3s n GLY 28 Ca 0.57 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.45 2a3s n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a3s h ILE 29 N -0.59 1.18 -0.33 -0.61 2.10 -1.75 -0.70 117.51 116.81 2a3s h ILE 29 Ca -0.64 -0.40 -0.06 0.00 1.08 0.00 0.00 64.86 64.84 2a3s h ILE 29 Cb 1.71 0.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2a3s h ILE 29 CO -0.29 0.19 -0.01 1.88 -1.08 0.00 0.00 178.15 178.84 2a3s h TYR 30 N 0.84 0.65 0.00 2.19 0.05 -1.78 -1.71 116.97 117.20 2a3s h TYR 30 Ca 0.22 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2a3s h TYR 30 Cb -0.02 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.55 2a3s h TYR 30 CO 0.00 0.72 0.00 0.00 -1.05 0.00 0.00 178.16 177.83 2a3s n ALA 31 N -2.38 1.85 -0.30 3.88 0.00 -0.94 -2.67 120.51 119.95 2a3s n ALA 31 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2a3s n ALA 31 Cb 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2a3s n ALA 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2a3s n HIS 32 N -1.93 0.00 -0.27 0.00 -0.00 -0.31 -3.08 115.22 109.63 2a3s n HIS 32 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.87 2a3s n HIS 32 Cb 0.26 -0.35 0.37 0.00 -0.00 0.00 0.00 29.99 30.27 2a3s n HIS 32 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 2a3s h ILE 33 N 0.00 0.84 -0.09 3.57 -0.00 -1.61 0.50 117.51 120.74 2a3s h ILE 33 Ca 0.00 -0.24 0.02 0.00 -0.00 0.00 0.00 64.86 64.64 2a3s h ILE 33 Cb 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 36.82 36.89 2a3s h ILE 33 CO 0.00 0.13 0.09 0.71 -0.00 0.00 0.00 178.15 179.07 2a3s h THR 34 N 0.71 0.60 0.00 0.16 1.35 -1.64 2.54 112.91 116.62 2a3s h THR 34 Ca 0.44 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.29 2a3s h THR 34 Cb 0.69 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2a3s h THR 34 CO -0.20 0.00 -0.38 0.50 -0.25 0.00 0.00 175.52 175.19 2a3s h LYS 35 N 0.00 0.00 -0.05 4.72 1.63 0.03 -3.40 116.57 119.50 2a3s h LYS 35 Ca 0.04 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.60 2a3s h LYS 35 Cb 0.21 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2a3s h LYS 35 CO -0.00 0.11 -0.92 0.45 -3.45 0.00 0.00 179.45 175.64 2a3s h HIS 36 N -1.00 0.90 -3.58 1.91 3.86 -1.14 -3.41 115.15 112.70 2a3s h HIS 36 Ca -0.02 -0.46 -0.66 0.00 -1.16 0.00 0.00 60.37 58.07 2a3s h HIS 36 Cb 0.42 -0.12 -0.16 0.00 1.06 0.00 0.00 27.41 28.61 2a3s h HIS 36 CO -0.11 1.28 0.01 0.71 0.86 0.00 0.00 177.93 180.68 2a3s s TYR 37 N -3.45 3.12 -0.24 2.45 1.51 0.85 -4.91 117.35 116.68 2a3s s TYR 37 Ca -0.09 -0.04 0.24 0.00 -1.01 0.00 0.00 57.07 56.17 2a3s s TYR 37 Cb 0.08 -3.13 0.53 0.00 -0.11 0.00 0.00 41.96 39.33 2a3s s TYR 37 CO 0.90 -0.73 1.67 -1.00 -1.11 0.00 0.00 175.55 175.27 2a3s h PRO 38 N 8.71 0.00 -0.39 -1.71 0.13 -1.80 -3.24 132.00 133.69 2a3s h PRO 38 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.75 2a3s h PRO 38 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2a3s h PRO 38 CO 0.84 0.11 -0.24 -0.92 -0.23 0.00 0.00 178.00 177.55 2a3s h TYR 39 N 0.00 0.92 0.00 1.56 5.03 -1.91 -2.07 116.97 120.50 2a3s h TYR 39 Ca -0.00 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.09 2a3s h TYR 39 Cb 0.96 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.02 2a3s h TYR 39 CO 0.00 0.96 0.00 0.66 -1.32 0.00 0.00 178.16 178.46 2a3s n TYR 40 N -4.10 0.00 0.00 -3.82 4.01 -1.22 -3.33 117.16 108.70 2a3s n TYR 40 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2a3s n TYR 40 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 2a3s n TYR 40 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2a3s n ARG 41 N -0.87 0.00 -0.04 -0.72 3.00 -0.78 -3.53 116.66 113.72 2a3s n ARG 41 Ca 0.15 0.20 0.06 0.00 -0.00 0.00 0.00 57.85 58.26 2a3s n ARG 41 Cb 0.07 -1.08 0.28 0.00 0.00 0.00 0.00 32.46 31.73 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2a3s n THR 42 N -1.10 0.12 -4.49 5.15 -2.24 -1.26 -4.80 114.28 105.66 2a3s n THR 42 Ca 0.00 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 2a3s n THR 42 Cb 0.00 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s s ALA 43 N -1.88 2.33 -0.50 6.98 0.00 -1.21 -5.08 121.76 122.39 2a3s s ALA 43 Ca 0.19 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 50.80 2a3s s ALA 43 Cb 0.10 -0.39 0.19 0.00 0.00 0.00 0.00 23.12 23.01 2a3s s ALA 43 CO 0.15 0.53 0.67 -0.40 0.00 0.00 0.00 175.76 176.71 2a3s n ASP 44 N 1.10 -2.99 -3.66 0.00 5.75 -1.26 -4.53 116.55 110.95 2a3s n ASP 44 Ca -0.18 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 2a3s n ASP 44 Cb 0.53 1.39 0.00 0.00 -1.03 0.00 0.00 41.12 42.01 2a3s n ASP 44 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2a3s n LYS 45 N 2.91 0.71 -1.09 0.11 4.76 -1.26 -4.78 118.16 119.53 2a3s n LYS 45 Ca 0.20 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.46 2a3s n LYS 45 Cb 0.55 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.69 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a3s n GLY 46 N 1.12 3.76 1.39 0.72 0.00 -1.26 -4.24 105.19 106.68 2a3s n GLY 46 Ca 0.00 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.86 2a3s n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2a3s n TRP 47 N 1.14 1.08 -0.01 1.61 4.27 -1.26 -4.02 117.44 120.26 2a3s n TRP 47 Ca 0.36 -0.52 -0.01 0.00 -3.89 0.00 0.00 57.50 53.44 2a3s n TRP 47 Cb 0.63 -0.05 -0.00 0.00 -1.36 0.00 0.00 31.31 30.53 2a3s n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2a3s h GLN 48 N 4.22 -0.03 -0.23 -2.67 1.08 -1.94 -3.11 115.11 112.41 2a3s h GLN 48 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2a3s h GLN 48 Cb 1.09 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2a3s h GLN 48 CO 0.05 -0.02 -0.45 -0.97 -0.95 0.00 0.00 178.83 176.49 2a3s h ASN 49 N -0.43 0.63 -0.59 1.46 -1.24 -1.95 -3.08 115.58 110.38 2a3s h ASN 49 Ca -0.00 -0.30 0.10 0.00 0.71 0.00 0.00 56.30 56.81 2a3s h ASN 49 Cb 0.03 -0.18 -0.08 0.00 0.73 0.00 0.00 38.32 38.82 2a3s h ASN 49 CO 0.01 0.99 0.18 -1.28 -1.29 0.00 0.00 177.43 176.03 2a3s h SER 50 N 0.47 0.12 0.39 1.15 0.87 -1.73 -1.26 113.55 113.55 2a3s h SER 50 Ca 0.03 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2a3s h SER 50 Cb 0.97 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2a3s h SER 50 CO 0.09 0.08 -0.48 0.40 -0.53 0.00 0.00 176.83 176.39 2a3s h ILE 51 N 0.33 0.00 -0.93 2.23 5.03 -1.46 1.61 117.51 124.32 2a3s h ILE 51 Ca 0.30 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 65.27 2a3s h ILE 51 Cb 0.40 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.07 2a3s h ILE 51 CO -0.34 0.00 0.46 -0.09 -0.68 0.00 0.00 178.15 177.50 2a3s h ARG 52 N -0.89 0.45 0.00 2.37 2.43 -1.48 0.77 114.38 118.04 2a3s h ARG 52 Ca -0.05 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 2a3s h ARG 52 Cb 0.79 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2a3s h ARG 52 CO -0.11 0.30 -0.74 1.25 -1.51 0.00 0.00 179.97 179.16 2a3s h HIS 53 N 0.46 0.00 -0.17 2.20 2.76 -0.21 -3.20 115.15 116.99 2a3s h HIS 53 Ca 0.59 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.60 2a3s h HIS 53 Cb 1.11 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 2a3s h HIS 53 CO -0.09 0.74 -0.53 -0.91 -1.30 0.00 0.00 177.93 175.83 2a3s h ASN 54 N 0.00 0.55 -0.18 3.26 2.35 0.87 -2.66 115.58 119.76 2a3s h ASN 54 Ca -0.01 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 2a3s h ASN 54 Cb 1.33 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 2a3s h ASN 54 CO 0.10 0.98 0.15 -0.07 -1.65 0.00 0.00 177.43 176.93 2a3s h LEU 55 N 0.38 0.00 0.00 1.61 3.38 -0.78 -1.20 115.31 118.71 2a3s h LEU 55 Ca 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 2a3s h LEU 55 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2a3s h LEU 55 CO 0.10 0.00 -1.64 -1.20 0.09 0.00 0.00 178.44 175.79 2a3s n SER 56 N -4.18 0.86 0.17 -0.43 7.64 -1.12 -4.00 113.62 112.56 2a3s n SER 56 Ca 0.01 0.40 0.04 0.00 1.01 0.00 0.00 58.87 60.33 2a3s n SER 56 Cb 0.28 0.02 0.27 0.00 -1.01 0.00 0.00 64.21 63.76 2a3s n SER 56 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2a3s h LEU 57 N 0.00 0.00-10.34 -3.43 3.38 -0.91 -3.45 115.31 100.56 2a3s h LEU 57 Ca -0.25 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.20 2a3s h LEU 57 Cb 1.90 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.74 2a3s h LEU 57 CO 0.07 0.45 0.37 0.20 0.09 0.00 0.00 178.44 179.61 2a3s s ASN 58 N -6.51 5.35 0.18 -0.43 0.01 -0.60 -4.97 114.94 107.96 2a3s s ASN 58 Ca 0.00 1.59 0.22 0.00 -0.71 0.00 0.00 52.86 53.97 2a3s s ASN 58 Cb 0.11 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2a3s s ASN 58 CO 0.71 -1.46 0.99 -2.11 -1.51 0.00 0.00 177.10 173.72 2a3s n ARG 59 N -3.14 0.60 -0.01 -0.60 0.00 -1.26 -4.15 116.66 108.10 2a3s n ARG 59 Ca 0.07 0.09 0.07 0.00 -0.00 0.00 0.00 57.85 58.08 2a3s n ARG 59 Cb 0.54 -1.79 -0.15 0.00 -0.00 0.00 0.00 32.46 31.06 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2a3s n TYR 60 N -2.61 0.13 -2.66 2.89 0.18 -1.26 -4.90 117.16 108.94 2a3s n TYR 60 Ca -0.00 0.04 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 2a3s n TYR 60 Cb 0.55 -0.65 -0.03 0.00 -0.38 0.00 0.00 39.34 38.83 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2a3s s PHE 61 N -3.31 3.57 0.08 -3.48 0.08 -1.26 0.25 117.98 113.92 2a3s s PHE 61 Ca -0.07 1.60 0.02 0.00 0.12 0.00 0.00 56.93 58.60 2a3s s PHE 61 Cb 0.12 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 2a3s s PHE 61 CO 0.88 -0.27 -0.06 0.96 -0.10 0.00 0.00 175.22 176.63 2a3s s ILE 62 N 1.33 0.62 0.32 0.64 -4.36 0.65 -4.65 121.20 115.74 2a3s s ILE 62 Ca 0.52 -1.73 0.08 0.00 -0.26 0.00 0.00 60.65 59.26 2a3s s ILE 62 Cb -0.21 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 2a3s s ILE 62 CO 0.25 -0.78 0.11 -0.54 0.24 0.00 0.00 174.94 174.23 2a3s s LYS 63 N -3.34 2.39 -0.04 0.37 1.02 -1.26 0.13 119.74 119.00 2a3s s LYS 63 Ca 0.07 -1.49 -0.25 0.00 0.02 0.00 0.00 55.97 54.31 2a3s s LYS 63 Cb 0.02 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2a3s s LYS 63 CO -0.04 0.18 0.79 0.08 -0.92 0.00 0.00 175.35 175.44 2a3s s VAL 64 N -2.39 4.98 0.60 3.17 1.01 -0.84 -4.82 120.40 122.11 2a3s s VAL 64 Ca 0.36 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 63.88 2a3s s VAL 64 Cb -0.04 -4.13 0.14 0.00 0.00 0.00 0.00 36.38 32.36 2a3s s VAL 64 CO 0.22 0.23 0.76 -0.81 0.00 0.00 0.00 175.10 175.50 2a3s n PRO 65 N 3.79 -1.03 -0.68 2.72 -0.04 -1.26 -4.87 135.00 133.63 2a3s n PRO 65 Ca 0.01 -1.18 -0.13 0.00 -0.04 0.00 0.00 63.50 62.16 2a3s n PRO 65 Cb 0.51 -0.83 0.10 0.00 -0.04 0.00 0.00 33.50 33.24 2a3s n PRO 65 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a3s n ARG 66 N -2.80 1.70 -3.66 0.54 3.00 -1.26 -4.67 116.66 109.52 2a3s n ARG 66 Ca 0.10 -1.66 -0.29 0.00 -0.01 0.00 0.00 57.85 55.98 2a3s n ARG 66 Cb 0.34 -1.65 -0.14 0.00 0.00 0.00 0.00 32.46 31.01 2a3s n ARG 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2a3s s SER 67 N -0.27 3.67 0.16 0.55 0.15 -1.26 -4.83 113.70 111.87 2a3s s SER 67 Ca 0.31 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 54.98 2a3s s SER 67 Cb 0.26 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2a3s s SER 67 CO 0.06 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.14 2a3s n GLN 68 N 4.37 0.00 0.02 5.44 1.13 -1.26 -5.10 117.38 121.98 2a3s n GLN 68 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2a3s n GLN 68 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 2a3s n GLN 68 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2a3s n GLU 69 N -3.01 0.00 -3.28 -1.09 2.13 -1.26 -5.11 120.64 109.01 2a3s n GLU 69 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2a3s n GLU 69 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2a3s n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2a3s s GLU 70 N -1.12 3.99 -1.10 5.31 8.01 -1.26 -4.98 118.70 127.55 2a3s s GLU 70 Ca 0.00 0.54 -0.22 0.00 0.01 0.00 0.00 54.97 55.31 2a3s s GLU 70 Cb 0.00 -2.76 0.03 0.00 -4.31 0.00 0.00 34.13 27.09 2a3s s GLU 70 CO 0.00 0.36 1.66 -1.25 0.01 0.00 0.00 175.26 176.05 2a3s s PRO 71 N -2.36 3.43 -0.09 0.39 0.04 -1.26 -4.89 135.00 130.26 2a3s s PRO 71 Ca 0.44 -1.25 -0.31 0.00 0.04 0.00 0.00 61.00 59.93 2a3s s PRO 71 Cb -0.13 -5.35 0.08 0.00 0.04 0.00 0.00 34.50 29.14 2a3s s PRO 71 CO 0.20 -2.59 0.76 0.20 0.04 0.00 0.00 177.00 175.61 2a3s s GLY 72 N 5.40 -0.50 1.03 0.56 0.00 -1.26 -5.16 107.32 107.39 2a3s s GLY 72 Ca 0.54 1.53 -0.12 0.00 0.00 0.00 0.00 44.72 46.67 2a3s s GLY 72 CO -0.01 1.01 1.08 -1.59 0.00 0.00 0.00 173.10 173.59 2a3s s LYS 73 N -1.10 0.20 -0.29 2.90 0.00 -1.26 -4.92 119.74 115.27 2a3s s LYS 73 Ca -0.08 0.71 -0.12 0.00 0.00 0.00 0.00 55.97 56.47 2a3s s LYS 73 Cb -0.00 -1.70 0.12 0.00 0.00 0.00 0.00 37.83 36.25 2a3s s LYS 73 CO 0.07 -2.93 0.68 0.20 0.00 0.00 0.00 175.35 173.38 2a3s s GLY 74 N -3.15 -0.66 -0.18 0.59 0.00 -1.26 -5.02 107.32 97.64 2a3s s GLY 74 Ca 0.66 2.42 0.04 0.00 0.00 0.00 0.00 44.72 47.84 2a3s s GLY 74 CO 0.59 2.87 1.32 1.44 0.00 0.00 0.00 173.10 179.33 2a3s n SER 75 N 5.06 3.39 -4.68 1.64 7.64 -1.26 -4.81 113.62 120.59 2a3s n SER 75 Ca -0.14 -2.66 -0.39 0.00 1.01 0.00 0.00 58.87 56.69 2a3s n SER 75 Cb 0.52 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 2a3s n SER 75 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2a3s s PHE 76 N -1.76 3.43 0.38 1.43 2.19 -1.26 -3.70 117.98 118.69 2a3s s PHE 76 Ca 0.28 0.84 0.04 0.00 0.33 0.00 0.00 56.93 58.43 2a3s s PHE 76 Cb 0.23 -2.64 -0.06 0.00 -1.31 0.00 0.00 43.02 39.24 2a3s s PHE 76 CO 0.07 -0.00 0.05 1.67 1.83 0.00 0.00 175.22 178.83 2a3s s TRP 77 N 1.27 2.10 0.37 10.12 1.48 -1.13 -1.99 118.94 131.16 2a3s s TRP 77 Ca 0.26 -0.91 -0.13 0.00 -1.06 0.00 0.00 56.10 54.25 2a3s s TRP 77 Cb -0.15 -1.46 0.05 0.00 -1.16 0.00 0.00 33.47 30.75 2a3s s TRP 77 CO 0.10 0.13 0.73 2.89 -4.06 0.00 0.00 176.95 176.74 2a3s n ARG 78 N -0.87 1.05 -4.14 3.25 1.85 0.36 -0.93 116.66 117.22 2a3s n ARG 78 Ca -0.06 -2.10 -0.23 0.00 -1.00 0.00 0.00 57.85 54.47 2a3s n ARG 78 Cb 0.67 2.59 -0.05 0.00 -1.05 0.00 0.00 32.46 34.61 2a3s n ARG 78 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2a3s s ILE 79 N -2.19 4.30 0.62 8.89 2.07 -1.14 0.24 121.20 133.99 2a3s s ILE 79 Ca 0.15 -1.41 -0.19 0.00 -1.41 0.00 0.00 60.65 57.80 2a3s s ILE 79 Cb -0.04 -3.29 -0.03 0.00 0.13 0.00 0.00 42.46 39.23 2a3s s ILE 79 CO 0.11 -0.30 1.18 0.47 -1.91 0.00 0.00 174.94 174.49 2a3s n ASP 80 N -0.95 1.66 -0.01 4.50 8.00 0.71 -4.79 116.55 125.68 2a3s n ASP 80 Ca -0.08 0.84 -0.01 0.00 0.71 0.00 0.00 54.79 56.25 2a3s n ASP 80 Cb 0.57 -1.50 -0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2a3s h PRO 81 N 0.60 -0.03 0.00 -0.24 0.13 -1.96 -2.96 132.00 127.54 2a3s h PRO 81 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2a3s h PRO 81 Cb 1.35 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2a3s h PRO 81 CO 0.53 -0.02 0.10 0.00 -0.23 0.00 0.00 178.00 178.37 2a3s h ALA 82 N -1.61 1.08 0.00 -0.56 0.00 -2.01 0.36 119.26 116.52 2a3s h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a3s h ALA 82 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2a3s h ALA 82 CO 0.01 -0.08 -0.69 0.43 0.00 0.00 0.00 179.25 178.92 2a3s n SER 83 N -2.46 0.65 0.23 0.00 7.64 -1.25 -4.39 113.62 114.04 2a3s n SER 83 Ca -0.02 -0.45 -0.11 0.00 1.01 0.00 0.00 58.87 59.30 2a3s n SER 83 Cb 0.14 0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 2a3s n SER 83 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2a3s h GLU 84 N 0.00 -0.64 -0.98 1.43 5.08 -0.09 0.33 114.58 119.71 2a3s h GLU 84 Ca 0.00 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.69 2a3s h GLU 84 Cb 0.52 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2a3s h GLU 84 CO 0.00 -0.43 1.04 0.00 -1.00 0.00 0.00 179.01 178.62 2a3s h ALA 85 N -1.44 2.86 0.00 3.43 0.00 -1.77 -0.30 119.26 122.04 2a3s h ALA 85 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2a3s h ALA 85 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2a3s h ALA 85 CO 0.04 -1.54 -0.07 -0.22 0.00 0.00 0.00 179.25 177.46 2a3s h LYS 86 N 0.00 0.00 0.11 0.00 3.64 -1.26 -3.30 116.57 115.76 2a3s h LYS 86 Ca 0.47 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.86 2a3s h LYS 86 Cb 2.54 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 34.32 2a3s h LYS 86 CO -0.00 0.00 -0.48 1.37 -2.27 0.00 0.00 179.45 178.07 2a3s h LEU 87 N -0.47 -1.44 -1.94 5.20 -0.00 0.75 0.51 115.31 117.91 2a3s h LEU 87 Ca 0.00 0.15 0.56 0.00 -0.00 0.00 0.00 57.88 58.59 2a3s h LEU 87 Cb 0.07 0.53 -0.08 0.00 -0.00 0.00 0.00 40.66 41.17 2a3s h LEU 87 CO 0.00 -0.50 1.36 -0.37 -0.00 0.00 0.00 178.44 178.92 2a3s h VAL 88 N -0.68 0.02 -0.89 0.15 -1.51 -1.32 1.38 116.25 113.41 2a3s h VAL 88 Ca -0.01 -0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.62 2a3s h VAL 88 Cb 0.68 0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 29.80 2a3s h VAL 88 CO -0.26 0.00 0.57 -0.08 -1.23 0.00 0.00 177.57 176.57 2a3s h GLU 89 N 0.00 0.63 0.00 5.19 4.81 -0.96 0.51 114.58 124.76 2a3s h GLU 89 Ca 0.92 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 60.12 2a3s h GLU 89 Cb 3.65 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 32.88 2a3s h GLU 89 CO -0.05 0.42 -0.86 1.04 -0.73 0.00 0.00 179.01 178.83 2a3s n GLN 90 N -4.56 0.40 0.20 1.92 6.02 0.47 -3.74 117.38 118.08 2a3s n GLN 90 Ca 0.18 0.08 0.14 0.00 -0.01 0.00 0.00 57.00 57.38 2a3s n GLN 90 Cb 0.50 -1.71 0.50 0.00 1.02 0.00 0.00 30.24 30.55 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3s h ALA 91 N 2.34 1.00 -0.01 -1.58 0.00 0.51 -2.54 119.26 118.99 2a3s h ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a3s h ALA 91 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2a3s h ALA 91 CO 0.00 0.00 -0.03 1.19 0.00 0.00 0.00 179.25 180.41 2a3s n PHE 92 N -2.71 0.00 -3.53 0.00 3.01 -0.55 -4.70 117.46 108.98 2a3s n PHE 92 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2a3s n PHE 92 Cb 0.34 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.73 2a3s n PHE 92 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2a3s s ARG 93 N -2.10 0.44 -0.29 -1.08 0.52 -0.96 -5.15 118.95 110.34 2a3s s ARG 93 Ca 0.39 1.10 -0.16 0.00 -0.52 0.00 0.00 55.73 56.54 2a3s s ARG 93 Cb 0.21 0.66 0.15 0.00 0.52 0.00 0.00 34.95 36.49 2a3s s ARG 93 CO 0.38 -0.15 1.00 0.21 0.02 0.00 0.00 175.30 176.75 2a3s s LYS 94 N 2.68 0.35 0.00 3.54 2.47 -1.26 -4.78 119.74 122.73 2a3s s LYS 94 Ca -0.04 0.62 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 2a3s s LYS 94 Cb -0.09 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 2a3s s LYS 94 CO -0.18 -0.08 0.00 0.54 0.16 0.00 0.00 175.35 175.79 2a3s n ARG 95 N 3.77 0.00 -4.25 4.03 3.00 -1.26 -4.54 116.66 117.41 2a3s n ARG 95 Ca -0.18 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.33 2a3s n ARG 95 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.95 2a3s n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2a3s s ARG 96 N 0.00 2.94 0.00 5.56 6.06 -1.26 -5.03 118.95 127.22 2a3s s ARG 96 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 55.73 52.73 2a3s s ARG 96 Cb 0.00 -2.77 0.00 0.00 0.06 0.00 0.00 34.95 32.24 2a3s s ARG 96 CO 0.00 0.66 0.00 0.94 -2.50 0.00 0.00 175.30 174.40 2a3s n GLN 97 N 1.58 3.87 -3.28 5.12 7.27 -1.26 -4.95 117.38 125.73 2a3s n GLN 97 Ca -0.16 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.74 2a3s n GLN 97 Cb 0.53 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.11 2a3s n GLN 97 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2a3s s ARG 98 N 2.77 0.77 -0.32 3.69 0.52 -1.26 -5.03 118.95 120.08 2a3s s ARG 98 Ca 0.00 -1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 53.94 2a3s s ARG 98 Cb 0.00 -0.78 0.21 0.00 0.52 0.00 0.00 34.95 34.90 2a3s s ARG 98 CO 0.00 -1.26 1.13 0.20 0.02 0.00 0.00 175.30 175.39 2a3s s GLY 99 N 1.02 -1.94 -0.12 -3.53 0.00 -1.26 -5.03 107.32 96.46 2a3s s GLY 99 Ca 0.23 0.80 0.15 0.00 0.00 0.00 0.00 44.72 45.89 2a3s s GLY 99 CO -0.07 4.38 1.18 -0.62 0.00 0.00 0.00 173.10 177.97 2a3s n VAL 100 N 2.70 1.39 -1.68 1.40 0.31 -1.26 -5.30 118.33 115.88 2a3s n VAL 100 Ca 0.10 -2.21 0.00 0.00 -0.01 0.00 0.00 64.34 62.22 2a3s n VAL 100 Cb 0.66 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 2a3s n VAL 100 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27