#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 -2.86 -1.84 2.88 -1.26 -5.05 113.62 105.50 2a3s n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2a3s n SER 2 Cb 0.00 0.04 0.03 0.00 -0.75 0.00 0.00 64.21 63.52 2a3s n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2a3s n LYS 3 N -2.14 0.81 0.12 -1.46 4.76 -1.26 -4.99 118.16 114.00 2a3s n LYS 3 Ca 0.00 -2.14 -0.03 0.00 -2.87 0.00 0.00 58.31 53.27 2a3s n LYS 3 Cb 0.00 -1.36 0.13 0.00 -1.84 0.00 0.00 35.03 31.96 2a3s n LYS 3 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2a3s h PRO 4 N 3.79 0.07 0.01 1.97 0.13 -1.97 -3.38 132.00 132.62 2a3s h PRO 4 Ca -0.09 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2a3s h PRO 4 Cb 1.01 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2a3s h PRO 4 CO 0.33 0.70 -0.01 -1.00 -0.23 0.00 0.00 178.00 177.80 2a3s h PRO 5 N 0.05 -0.02 -7.43 1.56 0.13 -1.94 -3.03 132.00 121.32 2a3s h PRO 5 Ca -0.01 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.64 2a3s h PRO 5 Cb 1.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.38 2a3s h PRO 5 CO 0.09 -0.01 0.36 0.71 -0.23 0.00 0.00 178.00 178.92 2a3s s TYR 6 N -1.42 3.19 0.02 1.56 2.02 -1.26 -1.34 117.35 120.13 2a3s s TYR 6 Ca -0.00 0.86 -0.05 0.00 -0.37 0.00 0.00 57.07 57.51 2a3s s TYR 6 Cb 0.00 -3.12 -0.01 0.00 -0.40 0.00 0.00 41.96 38.43 2a3s s TYR 6 CO 0.01 -1.27 0.07 0.45 -1.57 0.00 0.00 175.55 173.24 2a3s s SER 7 N -4.41 0.16 -0.38 2.29 0.15 -1.26 -4.88 113.70 105.37 2a3s s SER 7 Ca 0.58 -0.46 -0.28 0.00 0.70 0.00 0.00 55.95 56.50 2a3s s SER 7 Cb -0.11 0.19 -0.29 0.00 -1.71 0.00 0.00 66.02 64.10 2a3s s SER 7 CO 0.49 -0.43 1.75 -1.22 1.20 0.00 0.00 173.24 175.04 2a3s n TYR 8 N 1.12 0.77 0.00 3.44 4.01 -1.26 -0.33 117.16 124.91 2a3s n TYR 8 Ca -0.21 -0.92 0.00 0.00 -0.16 0.00 0.00 57.90 56.61 2a3s n TYR 8 Cb 0.57 -1.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 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 9.67 0.00 -0.02 -0.72 0.00 -1.26 -4.75 120.51 123.43 2a3s n ALA 9 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 2a3s n ALA 9 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 2a3s n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3s n GLN 10 N 0.00 0.65 -0.24 0.00 10.64 -0.94 -3.14 117.38 124.35 2a3s n GLN 10 Ca 0.00 0.29 0.11 0.00 -1.83 0.00 0.00 57.00 55.57 2a3s n GLN 10 Cb 0.00 -1.78 0.37 0.00 -0.86 0.00 0.00 30.24 27.97 2a3s n GLN 10 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2a3s h LEU 11 N 0.01 0.65 -0.03 2.61 5.85 -1.00 0.83 115.31 124.23 2a3s h LEU 11 Ca -0.31 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2a3s h LEU 11 Cb 2.02 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.95 2a3s h LEU 11 CO 0.08 0.36 -0.07 0.40 -0.34 0.00 0.00 178.44 178.87 2a3s h ILE 12 N 0.70 1.43 -0.38 4.05 1.08 -1.73 -2.83 117.51 119.83 2a3s h ILE 12 Ca 0.41 -1.39 0.08 0.00 -0.39 0.00 0.00 64.86 63.57 2a3s h ILE 12 Cb 0.60 2.28 -0.09 0.00 -3.07 0.00 0.00 36.82 36.55 2a3s h ILE 12 CO -0.17 0.37 -0.23 0.58 -0.69 0.00 0.00 178.15 178.01 2a3s h VAL 13 N -0.42 0.37 -0.27 1.67 2.07 -1.02 1.68 116.25 120.32 2a3s h VAL 13 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2a3s h VAL 13 Cb 0.64 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2a3s h VAL 13 CO 0.01 0.00 0.27 -0.61 0.02 0.00 0.00 177.57 177.26 2a3s h GLN 14 N -0.17 0.00 0.36 1.57 4.15 -0.94 2.04 115.11 122.12 2a3s h GLN 14 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2a3s h GLN 14 Cb 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2a3s h GLN 14 CO -0.48 0.00 -0.18 0.00 -1.93 0.00 0.00 178.83 176.24 2a3s h ALA 15 N 1.71 -0.63 0.02 3.38 0.00 0.27 -2.91 119.26 121.10 2a3s h ALA 15 Ca 0.13 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2a3s h ALA 15 Cb 0.66 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2a3s h ALA 15 CO -0.00 -0.59 -0.93 -0.84 0.00 0.00 0.00 179.25 176.88 2a3s h ILE 16 N -0.86 1.55 -0.32 0.00 -0.00 -0.39 -2.48 117.51 115.02 2a3s h ILE 16 Ca -0.05 -2.83 0.09 0.00 -0.00 0.00 0.00 64.86 62.07 2a3s h ILE 16 Cb 0.38 2.59 -0.01 0.00 -0.00 0.00 0.00 36.82 39.78 2a3s h ILE 16 CO 0.08 0.82 0.24 0.77 -0.00 0.00 0.00 178.15 180.06 2a3s h SER 17 N 0.07 0.00 0.51 2.16 4.64 0.31 0.49 113.55 121.73 2a3s h SER 17 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2a3s h SER 17 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2a3s h SER 17 CO 0.14 0.00 -0.73 -0.24 -0.87 0.00 0.00 176.83 175.13 2a3s n SER 18 N -4.34 0.62 -4.72 4.97 2.88 -1.10 -4.85 113.62 107.08 2a3s n SER 18 Ca 0.05 -0.23 -0.39 0.00 -1.33 0.00 0.00 58.87 56.96 2a3s n SER 18 Cb 0.41 0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 64.28 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 -3.09 3.36 0.15 -1.46 0.00 0.17 -4.95 121.76 115.94 2a3s s ALA 19 Ca 0.08 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2a3s s ALA 19 Cb 0.16 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 2a3s s ALA 19 CO 0.75 -0.07 1.55 0.37 0.00 0.00 0.00 175.76 178.36 2a3s h GLN 20 N 6.65 -0.17 -5.44 0.00 4.15 -1.89 -3.21 115.11 115.20 2a3s h GLN 20 Ca -0.41 0.01 -0.65 0.00 0.77 0.00 0.00 58.65 58.37 2a3s h GLN 20 Cb 1.20 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.77 2a3s h GLN 20 CO 0.75 -0.11 0.21 0.16 -1.93 0.00 0.00 178.83 177.91 2a3s s ASP 21 N -5.28 6.32 -0.35 -0.69 -4.77 -1.26 -4.93 116.67 105.71 2a3s s ASP 21 Ca -0.13 -0.43 -0.30 0.00 -3.30 0.00 0.00 52.55 48.40 2a3s s ASP 21 Cb 0.11 -2.34 -0.33 0.00 -1.09 0.00 0.00 42.92 39.26 2a3s s ASP 21 CO 0.63 -0.89 1.75 0.54 0.70 0.00 0.00 175.17 177.90 2a3s n ARG 22 N 6.50 0.03 -3.15 2.11 3.00 -1.21 -4.55 116.66 119.38 2a3s n ARG 22 Ca -0.01 -1.22 0.05 0.00 -0.01 0.00 0.00 57.85 56.66 2a3s n ARG 22 Cb 0.47 -2.95 -0.00 0.00 0.00 0.00 0.00 32.46 29.98 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 7.47 0.34 0.29 5.56 -2.07 -1.26 -2.87 119.66 127.13 2a3s s GLN 23 Ca 0.73 0.34 0.09 0.00 -1.82 0.00 0.00 55.36 54.70 2a3s s GLN 23 Cb 0.09 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 2a3s s GLN 23 CO 0.30 -0.62 0.05 -0.51 -1.32 0.00 0.00 175.29 173.19 2a3s s LEU 24 N 2.90 3.24 0.77 2.60 1.43 0.23 -4.82 118.68 125.02 2a3s s LEU 24 Ca 0.19 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 2a3s s LEU 24 Cb -0.06 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.53 2a3s s LEU 24 CO -0.24 -0.11 1.09 0.28 0.23 0.00 0.00 176.35 177.60 2a3s s THR 25 N -2.36 2.17 0.24 5.49 -1.32 -1.26 0.45 115.64 119.04 2a3s s THR 25 Ca 0.34 -0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.53 2a3s s THR 25 Cb -0.05 -2.93 0.22 0.00 -1.51 0.00 0.00 72.50 68.23 2a3s s THR 25 CO 0.21 0.00 1.71 0.25 -2.21 0.00 0.00 174.62 174.58 2a3s h LEU 26 N -0.86 0.13 -2.76 9.08 6.46 -1.95 0.76 115.31 126.17 2a3s h LEU 26 Ca -0.43 0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.33 2a3s h LEU 26 Cb 1.29 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 41.29 2a3s h LEU 26 CO 0.53 0.03 0.16 -1.20 -0.62 0.00 0.00 178.44 177.34 2a3s n SER 27 N -5.09 3.61 -0.13 1.25 7.64 -1.26 -3.95 113.62 115.70 2a3s n SER 27 Ca 0.14 -2.70 -0.24 0.00 1.01 0.00 0.00 58.87 57.07 2a3s n SER 27 Cb 0.43 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.02 -0.39 0.35 0.23 0.00 0.26 -3.65 105.19 102.01 2a3s n GLY 28 Ca 0.24 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.60 0.81 0.14 -0.61 -0.00 -1.64 0.15 117.51 115.75 2a3s h ILE 29 Ca -0.62 -0.01 -0.01 0.00 -0.00 0.00 0.00 64.86 64.22 2a3s h ILE 29 Cb 1.67 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 39.27 2a3s h ILE 29 CO -0.29 0.01 -0.07 1.88 -0.00 0.00 0.00 178.15 179.68 2a3s h TYR 30 N 0.04 -0.17 0.00 2.19 0.05 -1.75 -2.85 116.97 114.48 2a3s h TYR 30 Ca 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2a3s h TYR 30 Cb 0.73 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.52 2a3s h TYR 30 CO -0.00 -0.10 0.13 0.00 -1.05 0.00 0.00 178.16 177.13 2a3s h ALA 31 N -1.27 1.12 0.08 3.88 0.00 -1.57 0.90 119.26 122.41 2a3s h ALA 31 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2a3s h ALA 31 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2a3s h ALA 31 CO 0.03 -0.12 -0.04 1.25 0.00 0.00 0.00 179.25 180.37 2a3s h HIS 32 N 0.00 -0.10 -0.17 0.00 -0.00 -0.74 -3.33 115.15 110.81 2a3s h HIS 32 Ca 0.00 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 2a3s h HIS 32 Cb 0.26 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 2a3s h HIS 32 CO 0.00 -0.06 -0.45 -0.84 -0.00 0.00 0.00 177.93 176.58 2a3s h ILE 33 N -0.72 1.32 0.00 6.26 -0.00 -1.29 -2.82 117.51 120.25 2a3s h ILE 33 Ca -0.01 -1.64 0.00 0.00 -0.00 0.00 0.00 64.86 63.21 2a3s h ILE 33 Cb 0.08 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 38.58 2a3s h ILE 33 CO 0.02 0.50 0.06 0.35 -0.00 0.00 0.00 178.15 179.08 2a3s n THR 34 N -4.00 1.31 -0.06 0.16 -2.24 0.29 -0.42 114.28 109.33 2a3s n THR 34 Ca -0.02 0.64 -0.17 0.00 -2.27 0.00 0.00 64.05 62.23 2a3s n THR 34 Cb 0.53 -1.64 -0.13 0.00 -2.10 0.00 0.00 70.33 66.99 2a3s n THR 34 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2a3s h LYS 35 N 0.00 0.05 -0.43 -0.78 3.64 -1.60 -3.37 116.57 114.08 2a3s h LYS 35 Ca 0.00 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2a3s h LYS 35 Cb 0.12 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2a3s h LYS 35 CO 0.00 1.04 0.05 -2.39 -2.27 0.00 0.00 179.45 175.89 2a3s n HIS 36 N -4.46 1.48 -3.98 1.91 1.44 -0.83 -4.95 115.22 105.83 2a3s n HIS 36 Ca -0.16 -1.03 -0.35 0.00 -2.01 0.00 0.00 57.72 54.17 2a3s n HIS 36 Cb 0.59 -0.46 -0.10 0.00 0.12 0.00 0.00 29.99 30.14 2a3s n HIS 36 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2a3s s TYR 37 N -2.92 3.20 -0.74 -1.40 1.51 0.44 -4.99 117.35 112.45 2a3s s TYR 37 Ca 0.47 -0.04 -0.07 0.00 -1.01 0.00 0.00 57.07 56.42 2a3s s TYR 37 Cb 0.39 -2.11 -0.17 0.00 -0.11 0.00 0.00 41.96 39.95 2a3s s TYR 37 CO 0.10 0.04 3.17 -0.35 -1.11 0.00 0.00 175.55 177.39 2a3s n PRO 38 N 3.84 2.66 0.00 -1.71 -0.04 -1.26 -3.82 135.00 134.67 2a3s n PRO 38 Ca -0.16 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2a3s n PRO 38 Cb 0.52 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2a3s n PRO 38 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2a3s n TYR 39 N 3.07 0.00 -1.01 0.54 4.19 -1.26 -5.00 117.16 117.70 2a3s n TYR 39 Ca 0.57 0.00 -0.31 0.00 3.31 0.00 0.00 57.90 61.47 2a3s n TYR 39 Cb 0.55 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.36 2a3s n TYR 39 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2a3s n TYR 40 N 0.00 1.84 -0.01 2.98 4.01 -1.25 -4.03 117.16 120.70 2a3s n TYR 40 Ca 0.00 -2.25 0.03 0.00 -0.16 0.00 0.00 57.90 55.52 2a3s n TYR 40 Cb 0.00 -1.91 -0.07 0.00 -0.31 0.00 0.00 39.34 37.05 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 4.73 0.64 -0.33 -0.72 1.74 -1.26 -4.39 116.66 117.06 2a3s n ARG 41 Ca 0.53 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2a3s n ARG 41 Cb 0.22 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2a3s n THR 42 N -1.88 0.00 -4.24 0.55 -2.24 -1.26 -5.10 114.28 100.12 2a3s n THR 42 Ca -0.03 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 2a3s n THR 42 Cb 0.31 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.00 3.68 0.01 6.98 0.00 -1.26 -5.01 121.76 126.15 2a3s s ALA 43 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2a3s s ALA 43 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2a3s s ALA 43 CO 0.00 -0.18 0.00 -0.40 0.00 0.00 0.00 175.76 175.18 2a3s n ASP 44 N -1.26 -0.07 0.00 0.00 5.75 -1.26 -4.92 116.55 114.78 2a3s n ASP 44 Ca -0.04 0.06 0.08 0.00 -0.01 0.00 0.00 54.79 54.88 2a3s n ASP 44 Cb 0.65 0.18 0.40 0.00 -1.03 0.00 0.00 41.12 41.32 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 -2.18 0.24 0.07 0.11 5.02 -1.26 -0.51 118.16 119.64 2a3s n LYS 45 Ca 0.00 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2a3s n LYS 45 Cb 0.00 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 33.99 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3s n GLY 46 N 0.04 -1.62 0.31 0.72 0.00 -1.26 -4.19 105.19 99.18 2a3s n GLY 46 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.99 0.00 0.26 1.61 4.27 -0.95 -4.89 117.44 115.74 2a3s n TRP 47 Ca 0.06 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.55 2a3s n TRP 47 Cb 0.39 0.18 -0.06 0.00 -1.36 0.00 0.00 31.31 30.46 2a3s n TRP 47 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2a3s h GLN 48 N 0.00 -0.67 0.00 -2.67 5.75 -0.97 -2.37 115.11 114.18 2a3s h GLN 48 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2a3s h GLN 48 Cb 1.03 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2a3s h GLN 48 CO 0.00 -0.39 0.00 -0.97 -2.65 0.00 0.00 178.83 174.82 2a3s h ASN 49 N -1.11 0.00 0.46 -0.69 -1.24 -1.86 -3.18 115.58 107.97 2a3s h ASN 49 Ca -0.07 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 2a3s h ASN 49 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2a3s h ASN 49 CO 0.12 0.00 -0.22 0.77 -1.29 0.00 0.00 177.43 176.80 2a3s h SER 50 N 0.00 -0.53 -0.32 1.15 4.64 -1.88 -2.24 113.55 114.37 2a3s h SER 50 Ca 0.00 -0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2a3s h SER 50 Cb 0.50 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.65 2a3s h SER 50 CO 0.00 -0.15 -0.41 0.40 -0.87 0.00 0.00 176.83 175.80 2a3s h ILE 51 N -0.97 0.15 -1.00 0.95 1.08 -1.41 0.96 117.51 117.27 2a3s h ILE 51 Ca -0.06 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.63 2a3s h ILE 51 Cb 0.58 0.15 -0.11 0.00 -3.07 0.00 0.00 36.82 34.37 2a3s h ILE 51 CO 0.10 0.00 0.62 -0.09 -0.69 0.00 0.00 178.15 178.09 2a3s h ARG 52 N -0.36 0.59 -0.07 2.37 2.43 -1.59 0.96 114.38 118.71 2a3s h ARG 52 Ca 0.12 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 59.02 2a3s h ARG 52 Cb 0.59 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2a3s h ARG 52 CO -0.51 0.39 -0.90 1.25 -1.51 0.00 0.00 179.97 178.69 2a3s h HIS 53 N 0.61 0.97 -0.22 2.20 2.76 0.25 -3.28 115.15 118.44 2a3s h HIS 53 Ca 0.60 -0.48 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 2a3s h HIS 53 Cb 1.14 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 2a3s h HIS 53 CO -0.00 1.31 -0.32 -0.91 -1.30 0.00 0.00 177.93 176.70 2a3s h ASN 54 N 0.43 0.67 0.00 3.26 2.35 0.37 -2.92 115.58 119.74 2a3s h ASN 54 Ca -0.08 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 2a3s h ASN 54 Cb 1.53 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2a3s h ASN 54 CO 0.18 1.05 0.18 -0.07 -1.65 0.00 0.00 177.43 177.12 2a3s h LEU 55 N 0.30 0.00 0.00 1.61 3.38 0.72 -0.84 115.31 120.49 2a3s h LEU 55 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2a3s h LEU 55 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2a3s h LEU 55 CO 0.07 0.00 -0.33 -1.20 0.09 0.00 0.00 178.44 177.07 2a3s n SER 56 N -2.34 1.18 0.19 -0.43 7.64 -1.11 -4.27 113.62 114.49 2a3s n SER 56 Ca -0.01 0.50 0.15 0.00 1.01 0.00 0.00 58.87 60.52 2a3s n SER 56 Cb 0.21 -0.74 0.76 0.00 -1.01 0.00 0.00 64.21 63.43 2a3s n SER 56 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2a3s h LEU 57 N -0.65 0.00 -9.85 -3.43 -0.00 -1.49 -3.43 115.31 96.46 2a3s h LEU 57 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2a3s h LEU 57 Cb 0.33 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 41.15 2a3s h LEU 57 CO 0.00 0.00 0.22 0.59 -0.00 0.00 0.00 178.44 179.25 2a3s n ASN 58 N -4.13 1.21 0.07 0.17 3.02 -0.33 -4.90 115.26 110.37 2a3s n ASN 58 Ca 0.01 0.87 0.12 0.00 -0.03 0.00 0.00 54.58 55.55 2a3s n ASN 58 Cb 0.28 -1.42 0.06 0.00 -0.61 0.00 0.00 39.78 38.09 2a3s n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a3s n ARG 59 N -0.85 0.43 -0.04 3.52 1.74 -1.26 -4.19 116.66 116.01 2a3s n ARG 59 Ca 0.12 0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.30 2a3s n ARG 59 Cb 0.46 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 30.02 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2a3s n TYR 60 N -2.32 0.00 -2.80 -1.55 0.18 -1.26 -4.88 117.16 104.53 2a3s n TYR 60 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.37 2a3s n TYR 60 Cb 0.49 -0.65 -0.03 0.00 -0.38 0.00 0.00 39.34 38.77 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 -3.05 3.26 0.35 -3.48 0.08 -1.26 0.21 117.98 114.10 2a3s s PHE 61 Ca -0.08 1.15 0.08 0.00 0.12 0.00 0.00 56.93 58.20 2a3s s PHE 61 Cb 0.10 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.25 2a3s s PHE 61 CO 0.82 -0.53 0.21 0.96 -0.10 0.00 0.00 175.22 176.58 2a3s s ILE 62 N 3.11 3.06 -0.02 0.64 -4.36 0.75 -4.70 121.20 119.68 2a3s s ILE 62 Ca 0.38 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 2a3s s ILE 62 Cb -0.14 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.54 2a3s s ILE 62 CO 0.10 -0.15 -0.02 -1.59 0.24 0.00 0.00 174.94 173.52 2a3s s LYS 63 N -3.92 0.31 0.34 0.37 -2.85 -1.26 -1.28 119.74 111.45 2a3s s LYS 63 Ca 0.40 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 55.05 2a3s s LYS 63 Cb -0.03 -0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 35.24 2a3s s LYS 63 CO 0.24 -0.03 1.47 0.14 0.10 0.00 0.00 175.35 177.27 2a3s s VAL 64 N 0.48 2.24 1.01 1.79 -7.23 -1.18 -4.99 120.40 112.51 2a3s s VAL 64 Ca -0.05 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.18 2a3s s VAL 64 Cb -0.08 -3.14 0.22 0.00 0.56 0.00 0.00 36.38 33.94 2a3s s VAL 64 CO -0.01 0.05 1.29 -2.16 -0.31 0.00 0.00 175.10 173.96 2a3s s PRO 65 N -1.55 0.23 -0.32 4.82 0.04 -1.26 -4.74 135.00 132.23 2a3s s PRO 65 Ca 0.55 -0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.27 2a3s s PRO 65 Cb -0.45 -1.80 0.19 0.00 0.04 0.00 0.00 34.50 32.49 2a3s s PRO 65 CO 0.56 -2.69 0.62 -0.98 0.04 0.00 0.00 177.00 174.55 2a3s s ARG 66 N -5.82 0.61 -0.01 4.56 1.70 -1.26 -4.92 118.95 113.80 2a3s s ARG 66 Ca 0.74 0.31 0.19 0.00 -0.47 0.00 0.00 55.73 56.50 2a3s s ARG 66 Cb -0.04 0.20 -0.24 0.00 -0.57 0.00 0.00 34.95 34.30 2a3s s ARG 66 CO 0.54 -1.05 0.66 0.45 -1.08 0.00 0.00 175.30 174.82 2a3s n SER 67 N 5.12 0.77 -4.69 -2.89 2.88 -1.26 -4.98 113.62 108.58 2a3s n SER 67 Ca 0.07 -0.60 -0.27 0.00 -1.33 0.00 0.00 58.87 56.73 2a3s n SER 67 Cb 0.55 1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 65.24 2a3s n SER 67 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2a3s s GLN 68 N -2.98 2.09 -0.25 -1.46 -0.21 -1.26 -5.06 119.66 110.52 2a3s s GLN 68 Ca 0.02 -2.06 0.21 0.00 0.02 0.00 0.00 55.36 53.55 2a3s s GLN 68 Cb 0.14 -1.76 0.50 0.00 1.00 0.00 0.00 33.01 32.89 2a3s s GLN 68 CO 0.78 -0.13 1.13 0.39 -2.12 0.00 0.00 175.29 175.34 2a3s n GLU 69 N -1.12 1.88 0.03 2.91 1.02 -1.26 -4.89 120.64 119.21 2a3s n GLU 69 Ca -0.05 -3.51 -0.11 0.00 -0.02 0.00 0.00 57.16 53.47 2a3s n GLU 69 Cb 0.66 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 2a3s n GLU 69 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2a3s h GLU 70 N 2.44 -0.17 0.00 3.49 3.07 -2.03 -3.46 114.58 117.92 2a3s h GLU 70 Ca -0.08 0.01 -0.38 0.00 -0.50 0.00 0.00 59.36 58.41 2a3s h GLU 70 Cb 1.34 0.04 0.16 0.00 -0.84 0.00 0.00 28.75 29.45 2a3s h GLU 70 CO 0.25 0.30 0.35 -0.35 -1.40 0.00 0.00 179.01 178.16 2a3s n PRO 71 N -4.89 -1.37 0.00 2.33 -0.04 -1.26 -5.08 135.00 124.69 2a3s n PRO 71 Ca -0.08 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 2a3s n PRO 71 Cb 0.27 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2a3s n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a3s n GLY 72 N -2.94 -0.83 3.44 0.55 0.00 -1.26 -4.75 105.19 99.40 2a3s n GLY 72 Ca 0.15 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2a3s n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3s s LYS 73 N 0.00 3.67 -1.13 1.61 1.02 -1.26 -4.95 119.74 118.71 2a3s s LYS 73 Ca 0.00 -1.93 -0.21 0.00 0.02 0.00 0.00 55.97 53.85 2a3s s LYS 73 Cb 0.00 -4.91 0.04 0.00 -0.52 0.00 0.00 37.83 32.45 2a3s s LYS 73 CO 0.00 -1.74 1.62 0.20 -0.92 0.00 0.00 175.35 174.51 2a3s s GLY 74 N 3.42 1.28 0.06 -3.33 0.00 -1.26 -4.91 107.32 102.57 2a3s s GLY 74 Ca 0.33 -2.46 -0.04 0.00 0.00 0.00 0.00 44.72 42.55 2a3s s GLY 74 CO -0.08 2.80 0.04 -0.56 0.00 0.00 0.00 173.10 175.31 2a3s s SER 75 N 4.96 0.34 -0.30 1.64 0.01 -1.26 -4.83 113.70 114.27 2a3s s SER 75 Ca 0.52 -0.82 -0.17 0.00 1.31 0.00 0.00 55.95 56.79 2a3s s SER 75 Cb 0.01 0.23 0.19 0.00 0.21 0.00 0.00 66.02 66.66 2a3s s SER 75 CO -0.01 -0.61 1.18 0.12 0.41 0.00 0.00 173.24 174.33 2a3s s PHE 76 N -3.61 -0.24 0.12 2.43 5.36 -1.26 -4.95 117.98 115.83 2a3s s PHE 76 Ca 0.04 0.48 -0.26 0.00 -0.96 0.00 0.00 56.93 56.23 2a3s s PHE 76 Cb 0.05 0.18 -0.07 0.00 -0.34 0.00 0.00 43.02 42.84 2a3s s PHE 76 CO -0.09 -0.12 0.79 -1.58 -1.46 0.00 0.00 175.22 172.76 2a3s s TRP 77 N 1.03 3.84 -0.04 10.12 0.52 0.17 -3.10 118.94 131.48 2a3s s TRP 77 Ca -0.07 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.53 2a3s s TRP 77 Cb -0.03 -2.81 0.02 0.00 -1.15 0.00 0.00 33.47 29.50 2a3s s TRP 77 CO -0.12 0.41 0.26 1.03 0.02 0.00 0.00 176.95 178.55 2a3s s ARG 78 N -0.67 0.51 0.20 4.98 0.52 -0.40 0.74 118.95 124.83 2a3s s ARG 78 Ca 0.38 -0.03 0.06 0.00 -0.52 0.00 0.00 55.73 55.61 2a3s s ARG 78 Cb -0.22 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 2a3s s ARG 78 CO 0.25 -0.12 0.18 -1.50 0.02 0.00 0.00 175.30 174.14 2a3s s ILE 79 N -0.82 4.57 0.49 1.52 2.07 -1.14 0.27 121.20 128.16 2a3s s ILE 79 Ca -0.09 -1.16 -0.24 0.00 -1.41 0.00 0.00 60.65 57.75 2a3s s ILE 79 Cb -0.05 -3.39 -0.07 0.00 0.13 0.00 0.00 42.46 39.08 2a3s s ILE 79 CO 0.02 -0.20 1.38 0.47 -1.91 0.00 0.00 174.94 174.70 2a3s n ASP 80 N -0.71 2.95 -0.01 4.50 8.00 0.56 -4.82 116.55 127.01 2a3s n ASP 80 Ca -0.08 1.06 -0.01 0.00 0.71 0.00 0.00 54.79 56.47 2a3s n ASP 80 Cb 0.56 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 1.91 -0.05 -0.96 -0.24 0.13 -1.96 -2.89 132.00 127.95 2a3s h PRO 81 Ca -0.50 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.90 2a3s h PRO 81 Cb 1.29 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2a3s h PRO 81 CO 0.59 -0.03 0.68 0.00 -0.23 0.00 0.00 178.00 179.01 2a3s h ALA 82 N -1.38 2.80 -0.01 -0.56 0.00 -2.01 1.17 119.26 119.27 2a3s h ALA 82 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2a3s h ALA 82 Cb 0.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a3s h ALA 82 CO 0.01 -1.08 -0.13 0.45 0.00 0.00 0.00 179.25 178.49 2a3s n SER 83 N -4.30 0.90 -0.02 0.00 2.88 -1.25 -4.10 113.62 107.73 2a3s n SER 83 Ca 0.20 -0.95 -0.10 0.00 -1.33 0.00 0.00 58.87 56.70 2a3s n SER 83 Cb 0.99 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 64.43 2a3s n SER 83 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2a3s h GLU 84 N 1.21 0.06 0.00 -1.46 4.81 0.16 0.69 114.58 120.05 2a3s h GLU 84 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2a3s h GLU 84 Cb 0.42 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2a3s h GLU 84 CO 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.32 2a3s h ALA 85 N 1.12 1.00 0.00 2.92 0.00 -1.71 -1.80 119.26 120.79 2a3s h ALA 85 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2a3s h ALA 85 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2a3s h ALA 85 CO -0.11 0.00 -0.72 1.17 0.00 0.00 0.00 179.25 179.59 2a3s n LYS 86 N -2.38 0.48 -0.01 0.00 4.81 0.10 -4.06 118.16 117.10 2a3s n LYS 86 Ca -0.01 0.46 -0.11 0.00 -0.87 0.00 0.00 58.31 57.78 2a3s n LYS 86 Cb 0.06 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 33.43 2a3s n LYS 86 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 2a3s h LEU 87 N -1.00 -1.13 -1.64 3.14 -0.00 0.32 0.23 115.31 115.23 2a3s h LEU 87 Ca -0.04 0.16 0.49 0.00 -0.00 0.00 0.00 57.88 58.49 2a3s h LEU 87 Cb 0.70 0.48 -0.11 0.00 -0.00 0.00 0.00 40.66 41.72 2a3s h LEU 87 CO -0.03 -0.38 1.06 -0.37 -0.00 0.00 0.00 178.44 178.72 2a3s h VAL 88 N -0.42 0.07 -0.63 0.15 -1.51 -1.55 2.11 116.25 114.47 2a3s h VAL 88 Ca 0.10 -0.01 0.15 0.00 -1.23 0.00 0.00 66.70 65.71 2a3s h VAL 88 Cb 0.58 0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 29.74 2a3s h VAL 88 CO -0.39 0.01 0.44 -0.08 -1.23 0.00 0.00 177.57 176.31 2a3s h GLU 89 N 0.03 0.18 0.00 5.19 4.81 -0.67 0.90 114.58 125.01 2a3s h GLU 89 Ca 0.87 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 60.07 2a3s h GLU 89 Cb 3.05 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 32.39 2a3s h GLU 89 CO -0.27 0.12 -0.75 1.96 -0.73 0.00 0.00 179.01 179.34 2a3s h GLN 90 N 0.18 0.00 0.21 1.92 4.20 0.34 -3.38 115.11 118.58 2a3s h GLN 90 Ca 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2a3s h GLN 90 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2a3s h GLN 90 CO -0.05 0.03 -0.10 0.00 -0.67 0.00 0.00 178.83 178.04 2a3s h ALA 91 N 1.95 -0.74 -0.20 3.87 0.00 0.13 -3.32 119.26 120.95 2a3s h ALA 91 Ca -0.01 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 2a3s h ALA 91 Cb 1.04 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2a3s h ALA 91 CO 0.00 -0.72 2.05 1.19 0.00 0.00 0.00 179.25 181.77 2a3s n PHE 92 N -3.02 2.52 -3.64 0.00 3.72 -0.68 -4.75 117.46 111.60 2a3s n PHE 92 Ca -0.03 -1.93 -0.04 0.00 -0.05 0.00 0.00 57.45 55.40 2a3s n PHE 92 Cb 0.11 -2.13 -0.07 0.00 -0.94 0.00 0.00 39.48 36.46 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 5.14 0.36 -0.20 -1.08 6.06 -1.25 -4.98 118.95 123.00 2a3s s ARG 93 Ca 0.59 0.55 -0.20 0.00 -2.50 0.00 0.00 55.73 54.17 2a3s s ARG 93 Cb 0.09 0.11 -0.03 0.00 0.06 0.00 0.00 34.95 35.19 2a3s s ARG 93 CO 0.10 -0.06 0.57 0.15 -2.50 0.00 0.00 175.30 173.56 2a3s s LYS 94 N 0.91 4.20 0.08 5.12 1.02 -1.26 -4.67 119.74 125.14 2a3s s LYS 94 Ca -0.04 0.51 -0.26 0.00 0.02 0.00 0.00 55.97 56.20 2a3s s LYS 94 Cb -0.04 -3.57 0.08 0.00 -0.52 0.00 0.00 37.83 33.78 2a3s s LYS 94 CO -0.12 -0.20 0.69 -0.98 -0.92 0.00 0.00 175.35 173.82 2a3s s ARG 95 N 1.79 1.12 0.00 1.68 1.70 -0.45 -4.96 118.95 119.83 2a3s s ARG 95 Ca 0.26 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.21 2a3s s ARG 95 Cb -0.16 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 2a3s s ARG 95 CO 0.10 -0.47 0.00 2.89 -1.08 0.00 0.00 175.30 176.74 2a3s n ARG 96 N -0.13 3.54 0.01 3.89 0.00 -1.15 -4.01 116.66 118.81 2a3s n ARG 96 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2a3s n ARG 96 Cb 0.63 -0.96 0.00 0.00 -0.00 0.00 0.00 32.46 32.13 2a3s n ARG 96 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2a3s n GLN 97 N -1.86 0.00 -4.38 2.89 7.27 -1.26 -5.02 117.38 115.02 2a3s n GLN 97 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 2a3s n GLN 97 Cb 0.44 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.99 2a3s n GLN 97 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 2a3s s ARG 98 N -2.00 1.46 0.00 3.69 1.70 -1.26 -5.10 118.95 117.44 2a3s s ARG 98 Ca 0.00 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 53.51 2a3s s ARG 98 Cb 0.00 -0.81 0.00 0.00 -0.57 0.00 0.00 34.95 33.57 2a3s s ARG 98 CO 0.00 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 2a3s n GLY 99 N -0.52 -0.28 3.10 3.88 0.00 -1.26 -5.06 105.19 105.05 2a3s n GLY 99 Ca -0.05 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 2a3s n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3s s VAL 100 N 0.49 2.20 0.00 1.61 0.11 -1.26 -5.24 120.40 118.31 2a3s s VAL 100 Ca 0.00 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2a3s s VAL 100 Cb 0.00 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 2a3s s VAL 100 CO 0.00 0.18 0.28 -1.20 -3.33 0.00 0.00 175.10 171.03