#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 -1.27 -0.04 -1.84 2.88 -1.26 -4.98 113.62 107.11 2a3s n SER 2 Ca 0.00 -2.30 -0.15 0.00 -1.33 0.00 0.00 58.87 55.09 2a3s n SER 2 Cb 0.00 0.66 -0.13 0.00 -0.75 0.00 0.00 64.21 63.99 2a3s n SER 2 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2a3s h LYS 3 N 1.50 0.07 -6.63 -1.46 3.64 -2.04 -3.43 116.57 108.22 2a3s h LYS 3 Ca -0.36 -0.12 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 2a3s h LYS 3 Cb 1.29 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 2a3s h LYS 3 CO -0.10 1.05 0.89 -1.25 -2.27 0.00 0.00 179.45 177.76 2a3s s PRO 4 N -2.32 3.68 0.28 1.90 0.04 -1.26 -4.80 135.00 132.51 2a3s s PRO 4 Ca -0.18 0.48 0.17 0.00 0.04 0.00 0.00 61.00 61.51 2a3s s PRO 4 Cb -0.02 -3.92 0.09 0.00 0.04 0.00 0.00 34.50 30.69 2a3s s PRO 4 CO 0.72 -1.39 1.39 -1.00 0.04 0.00 0.00 177.00 176.76 2a3s h PRO 5 N 9.24 0.00 -2.95 0.56 0.13 -2.02 -3.47 132.00 133.50 2a3s h PRO 5 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 2a3s h PRO 5 Cb 1.06 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.00 2a3s h PRO 5 CO 1.12 0.37 -0.21 0.71 -0.23 0.00 0.00 178.00 179.76 2a3s s TYR 6 N -3.02 -0.23 0.60 1.56 1.51 -1.26 -4.71 117.35 111.80 2a3s s TYR 6 Ca 0.04 0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 56.25 2a3s s TYR 6 Cb 0.07 0.14 -0.08 0.00 -0.11 0.00 0.00 41.96 41.98 2a3s s TYR 6 CO 0.74 -0.43 0.51 0.43 -1.11 0.00 0.00 175.55 175.68 2a3s n SER 7 N 1.13 -1.14 -3.22 2.29 7.64 -1.26 -4.48 113.62 114.58 2a3s n SER 7 Ca -0.21 0.70 -0.30 0.00 1.01 0.00 0.00 58.87 60.07 2a3s n SER 7 Cb 0.57 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 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 -1.83 1.85 0.00 1.43 4.02 -1.26 -1.01 117.16 120.36 2a3s n TYR 8 Ca 0.11 -2.51 0.00 0.00 -0.01 0.00 0.00 57.90 55.49 2a3s n TYR 8 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 39.34 37.73 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a3s n ALA 9 N 3.85 0.00 0.03 -0.72 0.00 -1.26 -4.81 120.51 117.61 2a3s n ALA 9 Ca 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 54.03 2a3s n ALA 9 Cb 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 2a3s n ALA 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2a3s h GLN 10 N 0.00 0.00 -0.82 0.00 3.07 -1.78 -2.98 115.11 112.60 2a3s h GLN 10 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2a3s h GLN 10 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 2a3s h GLN 10 CO 0.00 0.44 0.34 1.25 0.09 0.00 0.00 178.83 180.95 2a3s h LEU 11 N 0.00 1.11 -0.00 0.06 5.85 -1.30 -0.94 115.31 120.09 2a3s h LEU 11 Ca -0.16 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2a3s h LEU 11 Cb 1.70 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 2a3s h LEU 11 CO 0.07 0.97 -0.00 0.40 -0.34 0.00 0.00 178.44 179.53 2a3s h ILE 12 N 1.18 1.28 -0.19 4.05 1.08 -1.78 -1.22 117.51 121.92 2a3s h ILE 12 Ca 0.27 -0.83 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2a3s h ILE 12 Cb 0.19 1.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.72 2a3s h ILE 12 CO -0.03 0.22 -0.30 0.58 -0.69 0.00 0.00 178.15 177.93 2a3s h VAL 13 N -0.34 0.30 -0.30 1.67 2.07 -1.31 2.20 116.25 120.54 2a3s h VAL 13 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2a3s h VAL 13 Cb 0.36 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2a3s h VAL 13 CO 0.00 0.00 0.24 1.56 0.02 0.00 0.00 177.57 179.39 2a3s h GLN 14 N -0.34 0.00 0.32 1.57 4.20 -1.15 2.51 115.11 122.22 2a3s h GLN 14 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2a3s h GLN 14 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2a3s h GLN 14 CO -0.38 0.00 -0.15 0.00 -0.67 0.00 0.00 178.83 177.62 2a3s h ALA 15 N 1.81 -0.43 0.00 3.87 0.00 0.36 -2.85 119.26 122.02 2a3s h ALA 15 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2a3s h ALA 15 Cb 0.62 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2a3s h ALA 15 CO -0.00 -0.47 -0.71 -0.84 0.00 0.00 0.00 179.25 177.23 2a3s h ILE 16 N -0.98 0.82 -0.97 0.00 3.07 0.38 -3.26 117.51 116.57 2a3s h ILE 16 Ca -0.04 -1.85 0.13 0.00 1.55 0.00 0.00 64.86 64.65 2a3s h ILE 16 Cb 0.50 1.78 -0.08 0.00 -0.27 0.00 0.00 36.82 38.75 2a3s h ILE 16 CO 0.07 0.28 0.61 -1.28 -1.05 0.00 0.00 178.15 176.78 2a3s h SER 17 N -1.00 0.84 0.55 2.16 0.87 0.41 0.26 113.55 117.65 2a3s h SER 17 Ca -0.17 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2a3s h SER 17 Cb 0.94 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2a3s h SER 17 CO -0.10 0.44 0.00 -0.24 -0.53 0.00 0.00 176.83 176.39 2a3s n SER 18 N -4.61 0.00 -4.89 6.23 2.88 -0.88 -4.78 113.62 107.56 2a3s n SER 18 Ca 0.19 -0.04 -0.29 0.00 -1.33 0.00 0.00 58.87 57.39 2a3s n SER 18 Cb 0.40 -0.31 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s s ALA 19 N -2.61 3.57 0.00 -1.46 0.00 0.91 -5.00 121.76 117.17 2a3s s ALA 19 Ca 0.24 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 2a3s s ALA 19 Cb 0.18 -2.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 2a3s s ALA 19 CO 0.42 0.24 1.01 -0.56 0.00 0.00 0.00 175.76 176.87 2a3s h GLN 20 N 1.75 -0.00 -5.75 0.00 3.07 -1.86 -3.33 115.11 108.98 2a3s h GLN 20 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 57.68 2a3s h GLN 20 Cb 1.19 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.66 2a3s h GLN 20 CO 0.66 -0.00 0.23 -0.51 0.09 0.00 0.00 178.83 179.30 2a3s s ASP 21 N -2.96 6.78 -0.52 0.06 1.11 -1.26 -4.92 116.67 114.97 2a3s s ASP 21 Ca -0.00 0.95 -0.03 0.00 0.18 0.00 0.00 52.55 53.65 2a3s s ASP 21 Cb 0.00 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 2a3s s ASP 21 CO 0.01 -0.34 1.68 0.54 1.18 0.00 0.00 175.17 178.24 2a3s n ARG 22 N 5.21 1.24 -3.30 8.23 3.00 -1.25 -4.56 116.66 125.22 2a3s n ARG 22 Ca 0.01 -1.03 0.03 0.00 -0.01 0.00 0.00 57.85 56.85 2a3s n ARG 22 Cb 0.49 -2.23 -0.02 0.00 0.00 0.00 0.00 32.46 30.71 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2a3s s GLN 23 N 3.86 0.56 0.24 5.56 -2.07 -1.26 -2.96 119.66 123.59 2a3s s GLN 23 Ca 0.24 1.12 0.10 0.00 -1.82 0.00 0.00 55.36 55.01 2a3s s GLN 23 Cb 0.07 0.64 -0.04 0.00 -1.09 0.00 0.00 33.01 32.59 2a3s s GLN 23 CO -0.02 -0.48 -0.09 -0.51 -1.32 0.00 0.00 175.29 172.87 2a3s s LEU 24 N 2.87 2.94 0.83 2.60 1.43 0.22 -4.80 118.68 124.77 2a3s s LEU 24 Ca 0.12 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2a3s s LEU 24 Cb -0.14 -1.52 0.09 0.00 0.03 0.00 0.00 46.19 44.65 2a3s s LEU 24 CO -0.20 0.05 1.17 0.42 0.23 0.00 0.00 176.35 178.01 2a3s s THR 25 N -2.14 2.08 0.35 5.49 -4.23 -1.26 0.28 115.64 116.21 2a3s s THR 25 Ca 0.28 0.02 0.12 0.00 -1.18 0.00 0.00 61.69 60.94 2a3s s THR 25 Cb -0.07 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.14 2a3s s THR 25 CO 0.17 -0.03 1.78 0.25 -0.54 0.00 0.00 174.62 176.25 2a3s h LEU 26 N -1.13 0.61 -3.84 4.79 6.46 -1.88 0.97 115.31 121.30 2a3s h LEU 26 Ca -0.47 0.09 -0.44 0.00 -0.12 0.00 0.00 57.88 56.94 2a3s h LEU 26 Cb 1.33 -0.02 -0.26 0.00 -0.73 0.00 0.00 40.66 40.98 2a3s h LEU 26 CO 0.65 0.18 0.56 -1.20 -0.62 0.00 0.00 178.44 178.01 2a3s n SER 27 N -4.70 3.90 -0.12 1.25 7.64 -1.26 -4.16 113.62 116.18 2a3s n SER 27 Ca 0.24 -3.45 -0.21 0.00 1.01 0.00 0.00 58.87 56.46 2a3s n SER 27 Cb 0.70 -0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 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 -0.88 -0.36 0.27 0.23 0.00 0.34 -3.60 105.19 101.18 2a3s n GLY 28 Ca 0.53 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.35 0.89 0.19 -0.61 -0.00 -1.70 1.03 117.51 116.94 2a3s h ILE 29 Ca -0.58 -0.22 -0.01 0.00 -0.00 0.00 0.00 64.86 64.05 2a3s h ILE 29 Cb 1.73 0.18 0.00 0.00 -0.00 0.00 0.00 36.82 38.73 2a3s h ILE 29 CO -0.20 0.12 -0.09 1.88 -0.00 0.00 0.00 178.15 179.86 2a3s h TYR 30 N 0.65 -0.23 0.00 2.19 0.05 -1.78 -1.50 116.97 116.35 2a3s h TYR 30 Ca 0.34 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.09 2a3s h TYR 30 Cb 0.32 0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 2a3s h TYR 30 CO -0.09 0.14 -0.13 0.00 -1.05 0.00 0.00 178.16 177.02 2a3s h ALA 31 N 0.04 1.27 0.06 3.88 0.00 -1.52 -1.99 119.26 121.00 2a3s h ALA 31 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a3s h ALA 31 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2a3s h ALA 31 CO 0.04 0.17 -0.03 1.25 0.00 0.00 0.00 179.25 180.68 2a3s h HIS 32 N 0.00 -0.08 -0.66 0.00 -0.00 0.12 -3.34 115.15 111.20 2a3s h HIS 32 Ca -0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 2a3s h HIS 32 Cb 0.37 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 2a3s h HIS 32 CO 0.00 -0.05 0.45 -0.84 -0.00 0.00 0.00 177.93 177.50 2a3s h ILE 33 N -0.49 0.77 -0.13 6.26 -0.00 -1.33 0.00 117.51 122.59 2a3s h ILE 33 Ca -0.01 -0.08 0.04 0.00 -0.00 0.00 0.00 64.86 64.81 2a3s h ILE 33 Cb 0.06 0.52 -0.01 0.00 -0.00 0.00 0.00 36.82 37.39 2a3s h ILE 33 CO 0.01 0.04 0.20 0.71 -0.00 0.00 0.00 178.15 179.11 2a3s h THR 34 N 0.23 0.32 0.00 0.16 1.35 -1.47 0.22 112.91 113.72 2a3s h THR 34 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.16 2a3s h THR 34 Cb 0.93 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2a3s h THR 34 CO -0.07 0.00 -0.70 0.50 -0.25 0.00 0.00 175.52 175.01 2a3s h LYS 35 N 0.00 0.00 0.00 4.72 3.64 -1.11 -3.39 116.57 120.43 2a3s h LYS 35 Ca 0.06 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.19 2a3s h LYS 35 Cb 0.45 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2a3s h LYS 35 CO -0.00 0.06 -1.67 0.72 -2.27 0.00 0.00 179.45 176.28 2a3s n HIS 36 N -2.86 0.31 -3.01 1.91 8.25 0.48 -4.92 115.22 115.39 2a3s n HIS 36 Ca 0.00 0.14 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 2a3s n HIS 36 Cb 0.58 -0.87 -0.05 0.00 1.12 0.00 0.00 29.99 30.77 2a3s n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2a3s s TYR 37 N -2.55 3.76 0.11 4.41 2.02 0.37 -4.96 117.35 120.50 2a3s s TYR 37 Ca -0.32 1.47 -0.04 0.00 -0.37 0.00 0.00 57.07 57.81 2a3s s TYR 37 Cb 0.09 -2.78 -0.17 0.00 -0.40 0.00 0.00 41.96 38.69 2a3s s TYR 37 CO 0.46 0.32 1.23 -1.00 -1.57 0.00 0.00 175.55 175.00 2a3s h PRO 38 N 5.44 0.35 -0.39 -1.71 0.13 -1.87 -3.30 132.00 130.65 2a3s h PRO 38 Ca -0.45 -0.46 0.01 0.00 -0.87 0.00 0.00 66.00 64.24 2a3s h PRO 38 Cb 1.21 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 2a3s h PRO 38 CO 0.70 1.16 0.25 -0.92 -0.23 0.00 0.00 178.00 178.95 2a3s h TYR 39 N 0.16 0.46 -0.48 1.56 5.03 -1.92 -2.71 116.97 119.07 2a3s h TYR 39 Ca -0.11 0.01 -0.52 0.00 2.58 0.00 0.00 58.73 60.70 2a3s h TYR 39 Cb 1.75 -0.15 -0.07 0.00 1.55 0.00 0.00 36.73 39.81 2a3s h TYR 39 CO 0.06 0.28 1.68 0.66 -1.32 0.00 0.00 178.16 179.53 2a3s n TYR 40 N -4.84 1.63 0.00 -3.82 4.01 -1.24 -4.46 117.16 108.44 2a3s n TYR 40 Ca 0.01 -2.37 0.00 0.00 -0.16 0.00 0.00 57.90 55.38 2a3s n TYR 40 Cb 0.04 -1.88 0.00 0.00 -0.31 0.00 0.00 39.34 37.19 2a3s n TYR 40 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2a3s n ARG 41 N 2.32 0.00 -2.14 -0.72 5.12 -1.02 -4.09 116.66 116.13 2a3s n ARG 41 Ca 0.59 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 56.24 2a3s n ARG 41 Cb 0.49 -0.43 0.02 0.00 -1.16 0.00 0.00 32.46 31.37 2a3s n ARG 41 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2a3s n THR 42 N -2.39 2.65 -3.81 0.55 5.66 -1.26 -5.00 114.28 110.69 2a3s n THR 42 Ca 0.00 -4.41 -0.12 0.00 -3.05 0.00 0.00 64.05 56.46 2a3s n THR 42 Cb 0.00 -1.20 -0.12 0.00 -1.55 0.00 0.00 70.33 67.46 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a3s s ALA 43 N -3.64 -0.47 -0.60 1.79 0.00 -1.26 -5.09 121.76 112.48 2a3s s ALA 43 Ca 0.51 0.51 0.05 0.00 0.00 0.00 0.00 51.96 53.03 2a3s s ALA 43 Cb 0.42 -0.29 0.19 0.00 0.00 0.00 0.00 23.12 23.43 2a3s s ALA 43 CO -0.10 -0.10 0.50 -0.40 0.00 0.00 0.00 175.76 175.66 2a3s n ASP 44 N 2.88 2.08 -2.01 0.00 5.75 -1.26 -4.86 116.55 119.13 2a3s n ASP 44 Ca -0.13 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 2a3s n ASP 44 Cb 0.58 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2a3s n ASP 44 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2a3s n LYS 45 N 1.95 2.59 -0.12 0.11 3.00 -1.26 -4.81 118.16 119.62 2a3s n LYS 45 Ca 0.24 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.66 2a3s n LYS 45 Cb 0.40 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.74 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a3s n GLY 46 N 0.55 0.76 0.00 3.14 0.00 -1.26 -4.03 105.19 104.35 2a3s n GLY 46 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 0.70 0.00 0.10 1.61 4.27 -1.26 -3.06 117.44 119.80 2a3s n TRP 47 Ca 0.17 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.73 2a3s n TRP 47 Cb 0.41 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.34 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 0.00 -0.27 0.00 -2.67 1.08 -1.90 -2.62 115.11 108.72 2a3s h GLN 48 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2a3s h GLN 48 Cb 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2a3s h GLN 48 CO 0.00 -0.18 0.00 -0.91 -0.95 0.00 0.00 178.83 176.79 2a3s h ASN 49 N -0.59 0.00 0.31 1.46 2.35 -1.90 -3.14 115.58 114.07 2a3s h ASN 49 Ca -0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2a3s h ASN 49 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2a3s h ASN 49 CO 0.05 0.00 -0.15 -1.28 -1.65 0.00 0.00 177.43 174.40 2a3s h SER 50 N 0.00 -0.35 -0.27 5.81 0.87 -1.55 -2.46 113.55 115.60 2a3s h SER 50 Ca 0.00 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.44 2a3s h SER 50 Cb 0.43 0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.40 2a3s h SER 50 CO 0.00 0.03 -0.40 0.40 -0.53 0.00 0.00 176.83 176.33 2a3s h ILE 51 N -0.79 0.16 -0.88 2.23 1.08 -1.41 2.44 117.51 120.34 2a3s h ILE 51 Ca -0.04 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.63 2a3s h ILE 51 Cb 0.51 0.16 -0.12 0.00 -3.07 0.00 0.00 36.82 34.30 2a3s h ILE 51 CO 0.07 0.00 0.40 -0.09 -0.69 0.00 0.00 178.15 177.84 2a3s h ARG 52 N -0.39 0.43 -0.05 2.37 2.43 -1.64 1.96 114.38 119.50 2a3s h ARG 52 Ca 0.11 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.04 2a3s h ARG 52 Cb 0.59 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2a3s h ARG 52 CO -0.48 0.28 -0.86 1.25 -1.51 0.00 0.00 179.97 178.66 2a3s h HIS 53 N 0.44 0.67 -0.11 2.20 2.76 -0.04 -2.87 115.15 118.20 2a3s h HIS 53 Ca 0.54 -0.33 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 2a3s h HIS 53 Cb 0.97 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 2a3s h HIS 53 CO -0.13 1.14 -0.51 -0.91 -1.30 0.00 0.00 177.93 176.21 2a3s h ASN 54 N 0.30 0.33 0.12 3.26 2.35 0.82 -2.26 115.58 120.50 2a3s h ASN 54 Ca -0.06 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.42 2a3s h ASN 54 Cb 1.47 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 2a3s h ASN 54 CO 0.15 0.78 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.28 2a3s h LEU 55 N 0.24 0.35 -0.17 1.61 3.38 0.29 -2.41 115.31 118.59 2a3s h LEU 55 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2a3s h LEU 55 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2a3s h LEU 55 CO 0.08 0.69 -0.23 -1.20 0.09 0.00 0.00 178.44 177.87 2a3s n SER 56 N -4.06 0.50 0.00 -0.43 7.64 -1.09 -4.36 113.62 111.81 2a3s n SER 56 Ca -0.01 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2a3s n SER 56 Cb 0.46 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2a3s n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2a3s n LEU 57 N -1.15 0.13 -4.24 -3.43 4.32 -0.87 -4.93 117.00 106.83 2a3s n LEU 57 Ca 0.10 0.23 -0.37 0.00 -0.02 0.00 0.00 56.01 55.95 2a3s n LEU 57 Cb 0.32 -0.46 0.04 0.00 -1.62 0.00 0.00 43.42 41.70 2a3s n LEU 57 CO 0.28 -0.46 -0.62 0.59 -1.22 0.00 0.00 177.39 175.96 2a3s n ASN 58 N -2.14 -3.59 0.04 -1.43 3.02 -1.04 -4.86 115.26 105.26 2a3s n ASN 58 Ca 0.00 0.47 0.12 0.00 -0.03 0.00 0.00 54.58 55.13 2a3s n ASN 58 Cb 0.00 -0.95 0.10 0.00 -0.61 0.00 0.00 39.78 38.32 2a3s n ASN 58 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2a3s n ARG 59 N 0.96 0.28 -1.05 3.52 1.85 -1.26 -3.95 116.66 117.01 2a3s n ARG 59 Ca 0.05 0.04 -0.21 0.00 -1.00 0.00 0.00 57.85 56.74 2a3s n ARG 59 Cb 0.51 -1.64 0.14 0.00 -1.05 0.00 0.00 32.46 30.43 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2a3s n TYR 60 N -2.03 2.61 -3.70 2.89 4.11 -1.26 -4.76 117.16 115.03 2a3s n TYR 60 Ca 0.03 -1.73 -0.24 0.00 -0.00 0.00 0.00 57.90 55.96 2a3s n TYR 60 Cb 0.44 -0.88 -0.17 0.00 -0.00 0.00 0.00 39.34 38.72 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2a3s s PHE 61 N -2.82 0.48 0.33 -3.48 0.08 -1.25 -1.44 117.98 109.88 2a3s s PHE 61 Ca 0.49 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 57.35 2a3s s PHE 61 Cb 0.41 -0.75 -0.07 0.00 -0.57 0.00 0.00 43.02 42.05 2a3s s PHE 61 CO 0.08 -0.40 -0.01 0.96 -0.10 0.00 0.00 175.22 175.75 2a3s s ILE 62 N 2.04 1.66 0.00 0.64 -5.25 0.79 -4.69 121.20 116.40 2a3s s ILE 62 Ca 0.03 -2.06 0.07 0.00 -0.99 0.00 0.00 60.65 57.70 2a3s s ILE 62 Cb -0.14 -2.72 -0.02 0.00 2.95 0.00 0.00 42.46 42.53 2a3s s ILE 62 CO -0.06 -0.12 -0.22 -1.59 -1.79 0.00 0.00 174.94 171.16 2a3s s LYS 63 N -3.76 1.69 -0.53 0.37 0.00 -1.26 0.23 119.74 116.47 2a3s s LYS 63 Ca 0.33 -0.86 0.04 0.00 0.00 0.00 0.00 55.97 55.49 2a3s s LYS 63 Cb 0.07 -1.70 0.13 0.00 0.00 0.00 0.00 37.83 36.33 2a3s s LYS 63 CO 0.15 0.46 0.28 0.14 0.00 0.00 0.00 175.35 176.38 2a3s s VAL 64 N -0.61 2.55 0.93 1.79 -7.23 0.46 -4.92 120.40 113.37 2a3s s VAL 64 Ca 0.09 -3.38 -0.14 0.00 -1.81 0.00 0.00 61.98 56.73 2a3s s VAL 64 Cb -0.09 -2.76 0.16 0.00 0.56 0.00 0.00 36.38 34.25 2a3s s VAL 64 CO 0.00 -0.83 1.22 -2.16 -0.31 0.00 0.00 175.10 173.02 2a3s s PRO 65 N -0.38 0.95 -0.17 4.82 0.04 -1.26 -3.38 135.00 135.63 2a3s s PRO 65 Ca 0.18 -0.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.01 2a3s s PRO 65 Cb -0.24 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2a3s s PRO 65 CO -0.02 -2.26 0.01 -0.09 0.04 0.00 0.00 177.00 174.69 2a3s h ARG 66 N -1.53 0.00 0.00 4.56 2.43 -1.99 -3.45 114.38 114.39 2a3s h ARG 66 Ca -0.46 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2a3s h ARG 66 Cb 1.29 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 2a3s h ARG 66 CO 0.51 0.43 -0.28 -1.13 -1.51 0.00 0.00 179.97 177.99 2a3s n SER 67 N -4.55 -0.05 -4.39 -3.80 3.41 -1.26 -5.11 113.62 97.87 2a3s n SER 67 Ca -0.17 -1.52 -0.26 0.00 -0.26 0.00 0.00 58.87 56.66 2a3s n SER 67 Cb 0.42 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.21 2a3s n SER 67 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2a3s s GLN 68 N 0.00 1.41 -0.25 4.33 2.00 -1.26 -5.05 119.66 120.83 2a3s s GLN 68 Ca 0.03 -1.43 -0.10 0.00 -2.00 0.00 0.00 55.36 51.86 2a3s s GLN 68 Cb 0.03 -1.71 -0.16 0.00 0.80 0.00 0.00 33.01 31.97 2a3s s GLN 68 CO -0.01 0.38 -0.17 -1.91 -0.50 0.00 0.00 175.29 173.07 2a3s n GLU 69 N 0.48 0.62 -1.94 1.67 4.07 -1.26 -4.74 120.64 119.54 2a3s n GLU 69 Ca -0.14 0.27 -0.32 0.00 -0.06 0.00 0.00 57.16 56.91 2a3s n GLU 69 Cb 0.55 -1.56 0.02 0.00 -0.06 0.00 0.00 31.44 30.40 2a3s n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2a3s s GLU 70 N -2.50 3.25 0.45 5.31 2.02 -1.26 -5.02 118.70 120.95 2a3s s GLU 70 Ca -0.35 1.13 -0.21 0.00 0.02 0.00 0.00 54.97 55.56 2a3s s GLU 70 Cb 0.11 -2.03 -0.10 0.00 0.10 0.00 0.00 34.13 32.22 2a3s s GLU 70 CO 0.56 -0.86 0.99 -1.25 0.02 0.00 0.00 175.26 174.72 2a3s s PRO 71 N -4.32 4.07 0.00 0.39 0.04 -1.26 -4.96 135.00 128.96 2a3s s PRO 71 Ca 0.62 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2a3s s PRO 71 Cb -0.15 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2a3s s PRO 71 CO 0.41 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.68 2a3s n GLY 72 N -0.39 1.64 1.14 0.56 0.00 -1.26 -4.99 105.19 101.89 2a3s n GLY 72 Ca 0.08 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2a3s n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a3s n LYS 73 N 0.00 2.50 -2.89 1.61 4.81 -1.26 -4.45 118.16 118.48 2a3s n LYS 73 Ca 0.00 -2.27 -0.17 0.00 -0.87 0.00 0.00 58.31 55.00 2a3s n LYS 73 Cb 0.00 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.53 2a3s n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a3s n GLY 74 N 1.49 3.49 2.84 3.14 0.00 -1.26 -5.03 105.19 109.87 2a3s n GLY 74 Ca 0.19 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 2a3s n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a3s s SER 75 N -2.94 3.83 -0.22 1.61 0.01 -1.26 -4.11 113.70 110.62 2a3s s SER 75 Ca 0.38 -1.37 -0.22 0.00 1.31 0.00 0.00 55.95 56.05 2a3s s SER 75 Cb 0.38 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 2a3s s SER 75 CO -0.06 -0.32 0.67 0.12 0.41 0.00 0.00 173.24 174.06 2a3s s PHE 76 N 1.50 3.35 0.60 2.43 2.19 -1.22 -2.85 117.98 123.98 2a3s s PHE 76 Ca 0.02 0.96 -0.10 0.00 0.33 0.00 0.00 56.93 58.14 2a3s s PHE 76 Cb -0.18 -2.86 -0.03 0.00 -1.31 0.00 0.00 43.02 38.64 2a3s s PHE 76 CO -0.13 -0.25 0.98 -1.58 1.83 0.00 0.00 175.22 176.07 2a3s s TRP 77 N 2.21 3.58 0.05 10.12 0.52 0.81 0.17 118.94 136.40 2a3s s TRP 77 Ca 0.30 1.15 -0.27 0.00 0.02 0.00 0.00 56.10 57.30 2a3s s TRP 77 Cb -0.16 -2.66 0.07 0.00 -1.15 0.00 0.00 33.47 29.57 2a3s s TRP 77 CO 0.10 -0.65 0.67 0.50 0.02 0.00 0.00 176.95 177.58 2a3s s ARG 78 N -5.10 1.13 0.18 4.98 3.52 0.63 -0.61 118.95 123.68 2a3s s ARG 78 Ca 0.54 -0.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.06 2a3s s ARG 78 Cb -0.11 0.53 -0.04 0.00 -1.56 0.00 0.00 34.95 33.77 2a3s s ARG 78 CO 0.52 -0.43 0.22 0.96 -0.81 0.00 0.00 175.30 175.75 2a3s s ILE 79 N -2.49 4.86 0.57 4.11 -4.36 -1.16 0.28 121.20 123.02 2a3s s ILE 79 Ca -0.04 -0.97 -0.21 0.00 -0.26 0.00 0.00 60.65 59.17 2a3s s ILE 79 Cb -0.01 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.14 2a3s s ILE 79 CO -0.02 -0.16 1.32 -0.67 0.24 0.00 0.00 174.94 175.66 2a3s n ASP 80 N -0.64 2.45 0.00 4.36 2.03 -0.52 -4.77 116.55 119.47 2a3s n ASP 80 Ca -0.08 0.94 -0.17 0.00 0.52 0.00 0.00 54.79 56.00 2a3s n ASP 80 Cb 0.55 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.26 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2a3s h PRO 81 N 1.19 0.28 -0.05 -0.67 0.13 -1.97 -2.60 132.00 128.30 2a3s h PRO 81 Ca -0.51 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2a3s h PRO 81 Cb 1.32 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2a3s h PRO 81 CO 0.56 1.09 0.00 0.00 -0.23 0.00 0.00 178.00 179.42 2a3s n ALA 82 N -2.60 2.58 0.22 -0.56 0.00 -1.26 -2.93 120.51 115.95 2a3s n ALA 82 Ca -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.12 2a3s n ALA 82 Cb 0.66 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 2a3s n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a3s n SER 83 N -0.44 0.73 0.19 0.00 7.64 -1.22 -4.66 113.62 115.85 2a3s n SER 83 Ca 0.14 -0.86 -0.14 0.00 1.01 0.00 0.00 58.87 59.01 2a3s n SER 83 Cb 0.14 0.58 -0.07 0.00 -1.01 0.00 0.00 64.21 63.85 2a3s n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2a3s h GLU 84 N 0.43 -0.47 0.00 1.43 4.81 -1.34 2.22 114.58 121.66 2a3s h GLU 84 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2a3s h GLU 84 Cb 0.15 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2a3s h GLU 84 CO 0.00 -0.31 0.02 0.00 -0.73 0.00 0.00 179.01 177.99 2a3s h ALA 85 N 0.18 1.02 0.00 2.92 0.00 -1.83 -0.69 119.26 120.87 2a3s h ALA 85 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2a3s h ALA 85 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2a3s h ALA 85 CO 0.01 -0.02 -1.08 1.17 0.00 0.00 0.00 179.25 179.33 2a3s n LYS 86 N -2.92 0.52 0.14 0.00 0.00 0.29 -4.06 118.16 112.13 2a3s n LYS 86 Ca -0.03 0.46 -0.14 0.00 0.00 0.00 0.00 58.31 58.60 2a3s n LYS 86 Cb 0.08 -1.64 -0.06 0.00 0.00 0.00 0.00 35.03 33.41 2a3s n LYS 86 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2a3s h LEU 87 N -1.00 -0.84 -1.64 3.14 8.10 0.38 -0.15 115.31 123.30 2a3s h LEU 87 Ca -0.20 0.09 0.49 0.00 0.11 0.00 0.00 57.88 58.37 2a3s h LEU 87 Cb 0.97 0.31 -0.11 0.00 -0.44 0.00 0.00 40.66 41.39 2a3s h LEU 87 CO -0.12 -0.40 1.05 -0.37 -4.11 0.00 0.00 178.44 174.49 2a3s h VAL 88 N -0.56 0.07 -0.59 0.15 -1.51 -1.31 2.13 116.25 114.64 2a3s h VAL 88 Ca 0.01 -0.01 0.17 0.00 -1.23 0.00 0.00 66.70 65.65 2a3s h VAL 88 Cb 0.56 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.73 2a3s h VAL 88 CO -0.13 0.01 0.44 -0.08 -1.23 0.00 0.00 177.57 176.57 2a3s h GLU 89 N 0.03 0.00 0.00 5.19 4.57 -1.16 1.16 114.58 124.38 2a3s h GLU 89 Ca 0.86 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 59.00 2a3s h GLU 89 Cb 3.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 31.61 2a3s h GLU 89 CO -0.27 0.00 -0.71 1.96 -1.18 0.00 0.00 179.01 178.81 2a3s h GLN 90 N 0.00 0.00 0.28 1.92 1.08 0.34 -3.37 115.11 115.36 2a3s h GLN 90 Ca 0.28 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 2a3s h GLN 90 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2a3s h GLN 90 CO -0.00 0.12 -0.14 0.00 -0.95 0.00 0.00 178.83 177.86 2a3s h ALA 91 N 1.84 -0.94 0.00 3.87 0.00 0.16 -3.27 119.26 120.92 2a3s h ALA 91 Ca -0.03 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.18 2a3s h ALA 91 Cb 1.15 0.15 0.05 0.00 0.00 0.00 0.00 17.79 19.14 2a3s h ALA 91 CO 0.02 -0.91 2.24 1.19 0.00 0.00 0.00 179.25 181.78 2a3s n PHE 92 N -3.17 1.65 -3.15 0.00 3.72 -0.93 -4.62 117.46 110.96 2a3s n PHE 92 Ca -0.05 -1.70 0.05 0.00 -0.05 0.00 0.00 57.45 55.70 2a3s n PHE 92 Cb 0.15 -1.61 -0.01 0.00 -0.94 0.00 0.00 39.48 37.07 2a3s n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2a3s s ARG 93 N 5.02 0.39 0.76 -1.08 6.06 -1.23 -5.01 118.95 123.87 2a3s s ARG 93 Ca 0.56 0.55 -0.03 0.00 -2.50 0.00 0.00 55.73 54.31 2a3s s ARG 93 Cb 0.14 0.29 0.16 0.00 0.06 0.00 0.00 34.95 35.59 2a3s s ARG 93 CO 0.12 -0.56 1.05 1.63 -2.50 0.00 0.00 175.30 175.03 2a3s n LYS 94 N 5.38 -0.31 -4.12 5.12 5.02 -1.26 -4.85 118.16 123.14 2a3s n LYS 94 Ca 0.01 -2.58 -0.29 0.00 -2.02 0.00 0.00 58.31 53.43 2a3s n LYS 94 Cb 0.54 -0.78 -0.07 0.00 -0.02 0.00 0.00 35.03 34.70 2a3s n LYS 94 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2a3s s ARG 95 N -5.22 2.66 -0.31 1.97 0.52 -1.26 -5.10 118.95 112.21 2a3s s ARG 95 Ca 0.67 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2a3s s ARG 95 Cb -0.03 -2.56 0.10 0.00 0.52 0.00 0.00 34.95 32.97 2a3s s ARG 95 CO 0.45 0.52 0.08 0.50 0.02 0.00 0.00 175.30 176.87 2a3s s ARG 96 N -2.62 0.87 0.05 3.54 3.00 -1.26 -5.11 118.95 117.41 2a3s s ARG 96 Ca 0.28 -1.16 0.09 0.00 -1.00 0.00 0.00 55.73 53.94 2a3s s ARG 96 Cb -0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 34.95 32.61 2a3s s ARG 96 CO 0.20 -0.95 -0.26 -1.14 0.00 0.00 0.00 175.30 173.15 2a3s s GLN 97 N 1.51 1.79 -0.14 5.12 2.00 -1.26 -5.12 119.66 123.56 2a3s s GLN 97 Ca 0.09 -1.12 -0.01 0.00 -2.00 0.00 0.00 55.36 52.32 2a3s s GLN 97 Cb -0.18 -1.98 0.04 0.00 0.80 0.00 0.00 33.01 31.69 2a3s s GLN 97 CO -0.21 0.51 -0.03 0.50 -0.50 0.00 0.00 175.29 175.56 2a3s s ARG 98 N -1.29 1.14 -0.31 1.67 6.06 -1.26 -5.08 118.95 119.88 2a3s s ARG 98 Ca 0.12 -0.30 -0.02 0.00 -2.50 0.00 0.00 55.73 53.03 2a3s s ARG 98 Cb -0.10 -1.69 0.12 0.00 0.06 0.00 0.00 34.95 33.34 2a3s s ARG 98 CO 0.02 -0.40 0.20 0.20 -2.50 0.00 0.00 175.30 172.83 2a3s s GLY 99 N 1.76 0.35 0.00 8.12 0.00 -1.26 -4.95 107.32 111.34 2a3s s GLY 99 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2a3s s GLY 99 CO -0.07 2.28 0.00 3.33 0.00 0.00 0.00 173.10 178.63 2a3s n VAL 100 N 4.99 0.00 0.00 1.40 0.24 -1.26 -5.03 118.33 118.67 2a3s n VAL 100 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2a3s n VAL 100 Cb 0.43 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 2a3s n VAL 100 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49