#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s s SER 2 N 0.00 0.81 -0.11 4.31 0.01 -1.26 -5.05 113.70 112.42 2a3s s SER 2 Ca 0.00 -1.40 -0.24 0.00 1.31 0.00 0.00 55.95 55.61 2a3s s SER 2 Cb 0.00 0.27 -0.27 0.00 0.21 0.00 0.00 66.02 66.22 2a3s s SER 2 CO 0.00 -0.79 0.74 0.11 0.41 0.00 0.00 173.24 173.71 2a3s h LYS 3 N 2.46 0.13 -6.60 12.44 6.56 -2.00 -3.44 116.57 126.13 2a3s h LYS 3 Ca -0.37 -0.22 -0.57 0.00 -1.06 0.00 0.00 60.65 58.43 2a3s h LYS 3 Cb 1.25 0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 32.91 2a3s h LYS 3 CO 0.57 1.11 0.88 -1.25 -2.06 0.00 0.00 179.45 178.70 2a3s s PRO 4 N -2.33 3.65 0.00 3.15 0.04 -1.26 -4.85 135.00 133.39 2a3s s PRO 4 Ca -0.18 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2a3s s PRO 4 Cb -0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2a3s s PRO 4 CO 0.74 -1.43 0.00 -0.35 0.04 0.00 0.00 177.00 176.00 2a3s n PRO 5 N 7.87 0.00 -3.96 0.56 -0.04 -1.26 -4.95 135.00 133.22 2a3s n PRO 5 Ca 0.10 0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 63.51 2a3s n PRO 5 Cb 0.49 -0.73 -0.05 0.00 -0.04 0.00 0.00 33.50 33.17 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 -0.78 3.44 0.48 0.54 2.02 -1.26 -4.65 117.35 117.14 2a3s s TYR 6 Ca 0.00 0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.73 2a3s s TYR 6 Cb 0.00 -1.75 -0.10 0.00 -0.40 0.00 0.00 41.96 39.71 2a3s s TYR 6 CO 0.00 0.59 0.67 0.43 -1.57 0.00 0.00 175.55 175.67 2a3s n SER 7 N 0.58 -0.34 -3.19 2.29 7.64 -1.26 -4.35 113.62 114.98 2a3s n SER 7 Ca -0.08 0.87 -0.20 0.00 1.01 0.00 0.00 58.87 60.47 2a3s n SER 7 Cb 0.52 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 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 -1.12 1.11 0.00 1.43 4.01 -1.26 -1.06 117.16 120.27 2a3s n TYR 8 Ca 0.11 -1.62 0.00 0.00 -0.16 0.00 0.00 57.90 56.23 2a3s n TYR 8 Cb 0.43 -1.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 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 4.82 0.00 0.04 -0.72 0.00 -1.26 -4.84 120.51 118.55 2a3s n ALA 9 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 2a3s n ALA 9 Cb 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 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 0.01 -0.92 0.00 3.07 -1.71 -2.09 115.11 113.46 2a3s h GLN 10 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.75 2a3s h GLN 10 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.52 2a3s h GLN 10 CO 0.00 0.88 0.61 1.25 0.09 0.00 0.00 178.83 181.66 2a3s h LEU 11 N 0.00 1.03 0.06 0.06 5.85 -1.29 0.17 115.31 121.19 2a3s h LEU 11 Ca -0.08 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2a3s h LEU 11 Cb 1.83 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2a3s h LEU 11 CO 0.12 0.74 -0.03 0.40 -0.34 0.00 0.00 178.44 179.33 2a3s h ILE 12 N 1.21 1.21 -0.24 4.05 1.08 -1.74 -1.12 117.51 121.95 2a3s h ILE 12 Ca 0.35 -0.96 0.06 0.00 -0.39 0.00 0.00 64.86 63.92 2a3s h ILE 12 Cb -0.09 1.83 -0.07 0.00 -3.07 0.00 0.00 36.82 35.42 2a3s h ILE 12 CO -0.09 0.24 -0.28 0.58 -0.69 0.00 0.00 178.15 177.91 2a3s h VAL 13 N -0.51 0.33 0.00 1.67 2.07 -0.64 0.72 116.25 119.89 2a3s h VAL 13 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2a3s h VAL 13 Cb 0.45 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2a3s h VAL 13 CO 0.01 0.00 -0.07 -0.61 0.02 0.00 0.00 177.57 176.92 2a3s h GLN 14 N -0.29 0.00 0.01 1.57 4.15 -0.70 2.17 115.11 122.03 2a3s h GLN 14 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 2a3s h GLN 14 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2a3s h GLN 14 CO -0.41 0.07 -0.01 0.00 -1.93 0.00 0.00 178.83 176.56 2a3s h ALA 15 N 1.93 -0.02 0.04 3.38 0.00 0.15 -2.47 119.26 122.26 2a3s h ALA 15 Ca -0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2a3s h ALA 15 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2a3s h ALA 15 CO 0.01 -0.23 -1.16 -0.84 0.00 0.00 0.00 179.25 177.03 2a3s h ILE 16 N -0.58 1.06 -0.02 0.00 3.07 0.41 -3.30 117.51 118.15 2a3s h ILE 16 Ca -0.00 -2.27 0.01 0.00 1.55 0.00 0.00 64.86 64.14 2a3s h ILE 16 Cb 0.56 2.55 -0.00 0.00 -0.27 0.00 0.00 36.82 39.66 2a3s h ILE 16 CO 0.00 0.50 0.02 0.28 -1.05 0.00 0.00 178.15 177.91 2a3s h SER 17 N -0.74 0.00 1.68 2.16 0.02 0.34 -0.02 113.55 116.99 2a3s h SER 17 Ca -0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2a3s h SER 17 Cb 1.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 2a3s h SER 17 CO -0.09 0.00 -0.14 -1.28 -1.14 0.00 0.00 176.83 174.18 2a3s h SER 18 N 0.00 0.00 -3.24 3.07 0.87 -1.45 -3.44 113.55 109.37 2a3s h SER 18 Ca 0.01 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.99 2a3s h SER 18 Cb 0.05 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 2a3s h SER 18 CO -0.00 0.14 -0.14 0.00 -0.53 0.00 0.00 176.83 176.31 2a3s s ALA 19 N -3.23 3.54 0.30 6.23 0.00 -0.02 -4.95 121.76 123.63 2a3s s ALA 19 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2a3s s ALA 19 Cb 0.06 -2.59 0.73 0.00 0.00 0.00 0.00 23.12 21.32 2a3s s ALA 19 CO 0.67 0.18 1.60 -0.56 0.00 0.00 0.00 175.76 177.65 2a3s h GLN 20 N 5.90 0.07 -5.50 0.00 3.07 -1.84 -3.02 115.11 113.78 2a3s h GLN 20 Ca -0.45 -0.00 -0.64 0.00 0.09 0.00 0.00 58.65 57.65 2a3s h GLN 20 Cb 1.19 -0.02 -0.14 0.00 0.08 0.00 0.00 27.48 28.60 2a3s h GLN 20 CO 0.70 0.05 0.89 -0.51 0.09 0.00 0.00 178.83 180.05 2a3s s ASP 21 N -5.03 6.41 -0.34 0.06 1.01 -1.26 -4.90 116.67 112.61 2a3s s ASP 21 Ca -0.13 -1.43 -0.12 0.00 0.71 0.00 0.00 52.55 51.59 2a3s s ASP 21 Cb 0.27 -2.45 -0.13 0.00 1.01 0.00 0.00 42.92 41.62 2a3s s ASP 21 CO 0.77 -1.35 1.55 0.54 0.21 0.00 0.00 175.17 176.89 2a3s n ARG 22 N 7.66 0.74 -3.22 8.23 1.74 -1.14 -4.57 116.66 126.10 2a3s n ARG 22 Ca 0.14 -1.07 0.04 0.00 -0.77 0.00 0.00 57.85 56.19 2a3s n ARG 22 Cb 0.48 -2.38 -0.02 0.00 -1.02 0.00 0.00 32.46 29.53 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2a3s s GLN 23 N 5.10 0.49 0.20 5.56 -2.07 -1.26 -2.95 119.66 124.72 2a3s s GLN 23 Ca 0.35 0.93 0.08 0.00 -1.82 0.00 0.00 55.36 54.90 2a3s s GLN 23 Cb 0.08 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 2a3s s GLN 23 CO 0.09 -0.47 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.06 2a3s s LEU 24 N 2.86 3.19 0.76 2.60 1.43 0.27 -4.84 118.68 124.94 2a3s s LEU 24 Ca 0.13 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 2a3s s LEU 24 Cb -0.13 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.32 2a3s s LEU 24 CO -0.19 0.07 1.13 0.42 0.23 0.00 0.00 176.35 178.01 2a3s s THR 25 N -1.87 2.84 0.29 5.49 -4.23 -1.26 0.11 115.64 117.01 2a3s s THR 25 Ca 0.28 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 2a3s s THR 25 Cb -0.08 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.78 2a3s s THR 25 CO 0.18 -0.36 1.75 0.25 -0.54 0.00 0.00 174.62 175.90 2a3s h LEU 26 N -0.85 0.58 -3.90 4.79 6.46 -1.92 0.47 115.31 120.94 2a3s h LEU 26 Ca -0.46 0.11 -0.41 0.00 -0.12 0.00 0.00 57.88 57.00 2a3s h LEU 26 Cb 1.29 0.02 -0.25 0.00 -0.73 0.00 0.00 40.66 40.99 2a3s h LEU 26 CO 0.64 0.17 0.52 -1.20 -0.62 0.00 0.00 178.44 177.96 2a3s n SER 27 N -4.88 4.15 -0.13 1.25 7.64 -1.26 -4.32 113.62 116.07 2a3s n SER 27 Ca 0.21 -3.47 -0.21 0.00 1.01 0.00 0.00 58.87 56.42 2a3s n SER 27 Cb 0.57 -0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.79 -0.37 0.37 0.23 0.00 0.17 -4.04 105.19 100.75 2a3s n GLY 28 Ca 0.53 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.26 0.89 0.17 -0.61 2.10 -1.74 -0.23 117.51 117.82 2a3s h ILE 29 Ca -0.60 -0.26 -0.01 0.00 1.08 0.00 0.00 64.86 65.08 2a3s h ILE 29 Cb 1.80 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 2a3s h ILE 29 CO -0.18 0.14 -0.08 1.88 -1.08 0.00 0.00 178.15 178.83 2a3s h TYR 30 N 0.75 -0.21 0.00 2.19 0.05 -1.82 -2.07 116.97 115.85 2a3s h TYR 30 Ca 0.42 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2a3s h TYR 30 Cb 0.58 0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.40 2a3s h TYR 30 CO -0.00 0.13 0.00 0.00 -1.05 0.00 0.00 178.16 177.24 2a3s h ALA 31 N 0.15 1.00 0.11 3.88 0.00 -1.52 0.11 119.26 122.99 2a3s h ALA 31 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2a3s h ALA 31 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2a3s h ALA 31 CO 0.04 0.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.49 2a3s h HIS 32 N 0.00 -0.13 -0.48 0.00 -0.00 -0.41 -3.13 115.15 111.00 2a3s h HIS 32 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.26 2a3s h HIS 32 Cb 0.06 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2a3s h HIS 32 CO 0.00 -0.08 -0.12 -0.84 -0.00 0.00 0.00 177.93 176.89 2a3s h ILE 33 N -0.88 1.27 -0.14 6.26 -0.00 -1.20 -2.67 117.51 120.15 2a3s h ILE 33 Ca -0.01 -1.26 0.04 0.00 -0.00 0.00 0.00 64.86 63.63 2a3s h ILE 33 Cb 0.11 1.08 -0.01 0.00 -0.00 0.00 0.00 36.82 38.01 2a3s h ILE 33 CO 0.02 0.43 0.14 0.71 -0.00 0.00 0.00 178.15 179.46 2a3s h THR 34 N 0.78 0.56 0.00 0.16 1.35 -1.14 2.78 112.91 117.42 2a3s h THR 34 Ca 0.12 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.80 2a3s h THR 34 Cb 0.68 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 2a3s h THR 34 CO 0.05 0.00 -0.87 0.50 -0.25 0.00 0.00 175.52 174.95 2a3s h LYS 35 N 0.00 0.01 0.00 4.72 3.64 -1.41 -3.34 116.57 120.20 2a3s h LYS 35 Ca 0.06 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2a3s h LYS 35 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2a3s h LYS 35 CO -0.00 0.87 -1.76 0.72 -2.27 0.00 0.00 179.45 177.01 2a3s n HIS 36 N -3.52 0.00 -3.45 1.91 8.25 -0.09 -4.88 115.22 113.44 2a3s n HIS 36 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2a3s n HIS 36 Cb 0.83 -0.45 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.75 3.23 -1.29 4.41 2.02 0.92 -4.99 117.35 118.89 2a3s s TYR 37 Ca -0.06 -0.44 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 2a3s s TYR 37 Cb 0.07 -2.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 2a3s s TYR 37 CO 0.58 -0.55 1.95 -0.35 -1.57 0.00 0.00 175.55 175.61 2a3s n PRO 38 N 5.23 2.75 0.00 -1.71 -0.04 -1.26 -3.65 135.00 136.32 2a3s n PRO 38 Ca -0.11 -2.83 0.00 0.00 -0.04 0.00 0.00 63.50 60.52 2a3s n PRO 38 Cb 0.48 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.54 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 8.19 -0.08 0.64 0.54 9.36 -1.26 -4.92 117.16 129.63 2a3s n TYR 39 Ca 0.50 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.78 2a3s n TYR 39 Cb 0.43 0.02 0.34 0.00 -0.63 0.00 0.00 39.34 39.50 2a3s n TYR 39 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2a3s n TYR 40 N -1.92 0.00 0.21 2.98 4.01 -1.24 -2.81 117.16 118.40 2a3s n TYR 40 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 2a3s n TYR 40 Cb 0.00 -0.27 0.70 0.00 -0.31 0.00 0.00 39.34 39.47 2a3s n TYR 40 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2a3s h ARG 41 N 0.00 0.00 0.00 -0.72 2.43 -1.82 -3.26 114.38 111.00 2a3s h ARG 41 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2a3s h ARG 41 Cb 0.12 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.56 2a3s h ARG 41 CO 0.00 0.00 -0.22 2.41 -1.51 0.00 0.00 179.97 180.65 2a3s n THR 42 N -2.42 0.00 -3.30 0.20 -1.04 -1.12 -5.06 114.28 101.54 2a3s n THR 42 Ca -0.01 -0.22 -0.18 0.00 -2.04 0.00 0.00 64.05 61.60 2a3s n THR 42 Cb 0.06 0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a3s s ALA 43 N 0.03 -0.24 -0.54 2.41 0.00 -1.17 -5.09 121.76 117.16 2a3s s ALA 43 Ca 0.02 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 2a3s s ALA 43 Cb 0.10 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.26 2a3s s ALA 43 CO -0.03 -2.13 0.66 -0.51 0.00 0.00 0.00 175.76 173.75 2a3s s ASP 44 N 1.09 6.20 0.00 0.00 1.01 -1.26 -4.58 116.67 119.13 2a3s s ASP 44 Ca 0.21 -1.13 0.00 0.00 0.71 0.00 0.00 52.55 52.34 2a3s s ASP 44 Cb -0.11 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.53 2a3s s ASP 44 CO -0.06 -0.99 0.09 1.17 0.21 0.00 0.00 175.17 175.60 2a3s n LYS 45 N 6.25 0.00 -2.73 8.23 3.00 -1.26 -4.82 118.16 126.82 2a3s n LYS 45 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.18 2a3s n LYS 45 Cb 0.44 -0.58 0.05 0.00 0.00 0.00 0.00 35.03 34.94 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 1.94 1.64 0.00 3.14 0.00 -1.26 -4.85 105.19 105.80 2a3s n GLY 46 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.43 0.00 0.00 1.61 4.27 -1.26 -4.62 117.44 117.01 2a3s n TRP 47 Ca 0.05 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 2a3s n TRP 47 Cb 0.82 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.77 2a3s n TRP 47 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2a3s n GLN 48 N -0.74 0.00 0.27 -2.67 -0.00 -1.26 -0.87 117.38 112.11 2a3s n GLN 48 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.10 2a3s n GLN 48 Cb 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 30.24 30.96 2a3s n GLN 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 2a3s h ASN 49 N 0.00 0.00 -0.70 2.61 -1.24 -1.98 -0.27 115.58 114.00 2a3s h ASN 49 Ca 0.00 0.00 0.20 0.00 0.71 0.00 0.00 56.30 57.21 2a3s h ASN 49 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 2a3s h ASN 49 CO 0.00 0.04 0.50 0.28 -1.29 0.00 0.00 177.43 176.96 2a3s h SER 50 N 0.00 0.00 0.35 1.15 0.02 -1.81 0.47 113.55 113.73 2a3s h SER 50 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2a3s h SER 50 Cb 0.08 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2a3s h SER 50 CO 0.01 0.00 -0.17 0.40 -1.14 0.00 0.00 176.83 175.93 2a3s h ILE 51 N 0.00 0.66 -0.95 3.27 5.03 0.87 1.03 117.51 127.43 2a3s h ILE 51 Ca 0.33 -0.31 0.01 0.00 -0.12 0.00 0.00 64.86 64.76 2a3s h ILE 51 Cb 1.32 0.83 -0.05 0.00 -3.03 0.00 0.00 36.82 35.89 2a3s h ILE 51 CO -0.01 0.06 0.62 -0.09 -0.68 0.00 0.00 178.15 178.05 2a3s h ARG 52 N -0.65 1.25 0.00 2.37 2.43 -1.18 0.50 114.38 119.10 2a3s h ARG 52 Ca -0.05 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2a3s h ARG 52 Cb 0.46 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2a3s h ARG 52 CO 0.08 0.84 -0.30 1.25 -1.51 0.00 0.00 179.97 180.33 2a3s h HIS 53 N 1.29 0.00 -0.19 2.20 2.76 -0.72 -2.68 115.15 117.81 2a3s h HIS 53 Ca 0.35 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.36 2a3s h HIS 53 Cb -0.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2a3s h HIS 53 CO -0.00 0.30 -0.52 -0.91 -1.30 0.00 0.00 177.93 175.49 2a3s h ASN 54 N 0.00 0.58 0.35 3.26 2.35 0.33 -2.67 115.58 119.78 2a3s h ASN 54 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2a3s h ASN 54 Cb 0.66 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2a3s h ASN 54 CO 0.04 0.99 0.00 0.18 -1.65 0.00 0.00 177.43 176.99 2a3s n LEU 55 N -3.97 0.00 0.08 1.61 4.77 -0.65 -1.56 117.00 117.28 2a3s n LEU 55 Ca -0.03 0.48 -0.23 0.00 -0.03 0.00 0.00 56.01 56.20 2a3s n LEU 55 Cb 0.58 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 2a3s n LEU 55 CO 0.46 -0.30 -0.49 -1.28 -1.33 0.00 0.00 177.39 174.45 2a3s h SER 56 N 0.00 0.63 1.28 -1.43 0.87 -1.52 -3.34 113.55 110.04 2a3s h SER 56 Ca 0.00 -0.93 -0.08 0.00 -1.23 0.00 0.00 61.79 59.55 2a3s h SER 56 Cb 0.18 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2a3s h SER 56 CO 0.00 1.77 -0.74 0.17 -0.53 0.00 0.00 176.83 177.49 2a3s h LEU 57 N 0.08 0.00 -9.94 2.23 8.10 -1.55 -3.46 115.31 110.77 2a3s h LEU 57 Ca -0.33 0.00 -0.51 0.00 0.11 0.00 0.00 57.88 57.15 2a3s h LEU 57 Cb 2.08 0.00 0.06 0.00 -0.44 0.00 0.00 40.66 42.36 2a3s h LEU 57 CO 0.18 0.31 0.52 0.20 -4.11 0.00 0.00 178.44 175.54 2a3s s ASN 58 N -5.99 6.49 0.01 0.17 0.01 -0.60 -4.94 114.94 110.09 2a3s s ASN 58 Ca 0.02 2.39 0.16 0.00 -0.71 0.00 0.00 52.86 54.71 2a3s s ASN 58 Cb 0.08 -2.62 -0.18 0.00 0.41 0.00 0.00 41.25 38.94 2a3s s ASN 58 CO 0.76 -0.70 0.73 -1.14 -1.51 0.00 0.00 177.10 175.24 2a3s n ARG 59 N 0.08 0.63 0.14 -0.60 0.63 -1.26 -4.13 116.66 112.15 2a3s n ARG 59 Ca 0.04 0.23 0.06 0.00 -0.92 0.00 0.00 57.85 57.26 2a3s n ARG 59 Cb 0.46 -1.79 0.04 0.00 0.45 0.00 0.00 32.46 31.63 2a3s n ARG 59 CO 0.00 0.00 0.00 0.10 -2.51 0.00 0.00 177.63 175.22 2a3s h TYR 60 N 0.00 0.00 -3.34 -0.14 -0.00 -1.94 -3.44 116.97 108.10 2a3s h TYR 60 Ca -0.22 0.00 -0.59 0.00 0.00 0.00 0.00 58.73 57.92 2a3s h TYR 60 Cb 1.75 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 38.39 2a3s h TYR 60 CO 0.00 0.33 0.51 -0.06 -0.00 0.00 0.00 178.16 178.93 2a3s s PHE 61 N -3.07 3.24 0.21 0.10 0.08 -1.26 0.27 117.98 117.56 2a3s s PHE 61 Ca 0.03 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.10 2a3s s PHE 61 Cb 0.07 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 2a3s s PHE 61 CO 0.74 -0.53 0.04 0.44 -0.10 0.00 0.00 175.22 175.81 2a3s n ILE 62 N 5.47 0.00 -4.69 0.64 -5.35 0.19 -4.85 119.36 110.77 2a3s n ILE 62 Ca 0.06 -0.97 -0.24 0.00 -0.27 0.00 0.00 62.75 61.32 2a3s n ILE 62 Cb 0.48 0.08 -0.16 0.00 -1.74 0.00 0.00 39.64 38.30 2a3s n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2a3s s LYS 63 N -2.80 1.53 0.19 6.28 1.02 -1.26 -1.90 119.74 122.80 2a3s s LYS 63 Ca 0.03 -0.51 0.15 0.00 0.02 0.00 0.00 55.97 55.66 2a3s s LYS 63 Cb -0.00 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 2a3s s LYS 63 CO 0.02 0.20 1.21 -0.39 -0.92 0.00 0.00 175.35 175.47 2a3s h VAL 64 N 5.32 0.83 -4.43 3.17 -1.51 -1.89 -3.47 116.25 114.27 2a3s h VAL 64 Ca -0.33 -2.27 -0.48 0.00 -1.23 0.00 0.00 66.70 62.40 2a3s h VAL 64 Cb 1.17 2.34 0.09 0.00 -2.13 0.00 0.00 31.29 32.76 2a3s h VAL 64 CO 0.48 0.47 0.38 -2.16 -1.23 0.00 0.00 177.57 175.51 2a3s s PRO 65 N -2.92 2.32 0.00 5.19 0.04 -1.26 -5.06 135.00 133.31 2a3s s PRO 65 Ca 0.01 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.23 2a3s s PRO 65 Cb 0.08 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2a3s s PRO 65 CO 0.78 -1.34 0.01 0.54 0.04 0.00 0.00 177.00 177.03 2a3s n ARG 66 N -3.14 0.00 0.00 4.56 1.74 -1.26 -5.06 116.66 113.50 2a3s n ARG 66 Ca 0.07 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2a3s n ARG 66 Cb 0.60 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 2a3s n ARG 66 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2a3s n SER 67 N -0.64 0.68 -4.33 0.55 3.41 -1.26 -5.09 113.62 106.95 2a3s n SER 67 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.15 2a3s n SER 67 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.03 3.03 -0.21 4.33 2.00 -1.26 -4.87 119.66 123.71 2a3s s GLN 68 Ca 0.00 -1.64 -0.10 0.00 -2.00 0.00 0.00 55.36 51.62 2a3s s GLN 68 Cb 0.00 -4.30 -0.19 0.00 0.80 0.00 0.00 33.01 29.32 2a3s s GLN 68 CO 0.00 -1.39 0.02 -1.91 -0.50 0.00 0.00 175.29 171.51 2a3s n GLU 69 N 5.50 0.65 -2.88 1.67 2.13 -1.26 -4.92 120.64 121.53 2a3s n GLU 69 Ca -0.11 0.31 -0.36 0.00 0.66 0.00 0.00 57.16 57.66 2a3s n GLU 69 Cb 0.41 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.43 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 -2.49 4.41 0.11 5.31 2.02 -1.26 -4.94 118.70 121.86 2a3s s GLU 70 Ca -0.31 1.15 0.26 0.00 0.02 0.00 0.00 54.97 56.09 2a3s s GLU 70 Cb 0.09 -2.67 0.99 0.00 0.10 0.00 0.00 34.13 32.64 2a3s s GLU 70 CO 0.62 0.23 1.82 -0.35 0.02 0.00 0.00 175.26 177.60 2a3s n PRO 71 N 0.29 0.13 0.00 0.39 -0.04 -1.26 -4.73 135.00 129.79 2a3s n PRO 71 Ca 0.02 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2a3s n PRO 71 Cb 0.51 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.23 0.83 2.45 0.55 0.00 -1.26 -5.00 105.19 103.99 2a3s n GLY 72 Ca 0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2a3s n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2a3s n LYS 73 N 0.00 1.81 -3.18 1.61 2.85 -1.26 -5.03 118.16 114.95 2a3s n LYS 73 Ca 0.00 -3.95 -0.45 0.00 -1.05 0.00 0.00 58.31 52.85 2a3s n LYS 73 Cb 0.00 -1.86 -0.04 0.00 -0.65 0.00 0.00 35.03 32.48 2a3s n LYS 73 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2a3s s GLY 74 N -2.61 2.00 -0.09 2.58 0.00 -1.26 -4.93 107.32 103.01 2a3s s GLY 74 Ca 0.42 -2.51 -0.29 0.00 0.00 0.00 0.00 44.72 42.34 2a3s s GLY 74 CO -0.10 1.46 0.67 -0.56 0.00 0.00 0.00 173.10 174.57 2a3s s SER 75 N 3.41 -0.66 -0.26 1.64 0.01 -1.26 -4.90 113.70 111.69 2a3s s SER 75 Ca 0.12 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.23 2a3s s SER 75 Cb -0.22 0.71 0.07 0.00 0.21 0.00 0.00 66.02 66.79 2a3s s SER 75 CO 0.02 -0.53 -0.06 0.12 0.41 0.00 0.00 173.24 173.20 2a3s s PHE 76 N -0.87 2.84 0.51 2.43 2.19 -1.26 -3.92 117.98 119.89 2a3s s PHE 76 Ca -0.09 -2.10 -0.17 0.00 0.33 0.00 0.00 56.93 54.91 2a3s s PHE 76 Cb -0.01 -1.85 -0.08 0.00 -1.31 0.00 0.00 43.02 39.77 2a3s s PHE 76 CO 0.08 -0.84 0.98 -1.58 1.83 0.00 0.00 175.22 175.70 2a3s s TRP 77 N 1.24 3.43 0.28 10.12 0.52 0.30 -3.08 118.94 131.75 2a3s s TRP 77 Ca -0.05 1.48 -0.18 0.00 0.02 0.00 0.00 56.10 57.37 2a3s s TRP 77 Cb -0.19 -2.80 0.02 0.00 -1.15 0.00 0.00 33.47 29.34 2a3s s TRP 77 CO -0.07 -0.36 0.65 -0.98 0.02 0.00 0.00 176.95 176.22 2a3s s ARG 78 N -3.99 1.76 0.13 4.98 1.70 -0.80 0.94 118.95 123.68 2a3s s ARG 78 Ca 0.59 -1.12 0.10 0.00 -0.47 0.00 0.00 55.73 54.84 2a3s s ARG 78 Cb -0.10 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 2a3s s ARG 78 CO 0.30 -0.79 -0.24 -1.50 -1.08 0.00 0.00 175.30 171.98 2a3s s ILE 79 N -3.80 2.09 0.39 4.99 2.07 -1.15 0.54 121.20 126.33 2a3s s ILE 79 Ca 0.15 -1.74 -0.27 0.00 -1.41 0.00 0.00 60.65 57.37 2a3s s ILE 79 Cb -0.04 -1.88 -0.11 0.00 0.13 0.00 0.00 42.46 40.56 2a3s s ILE 79 CO 0.08 -0.00 1.45 -0.67 -1.91 0.00 0.00 174.94 173.89 2a3s n ASP 80 N 0.84 3.56 0.12 4.50 -0.08 0.77 -4.82 116.55 121.44 2a3s n ASP 80 Ca -0.17 1.20 -0.21 0.00 -1.51 0.00 0.00 54.79 54.09 2a3s n ASP 80 Cb 0.54 -1.60 -0.14 0.00 2.34 0.00 0.00 41.12 42.26 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2a3s h PRO 81 N 2.75 0.51 -0.45 -0.67 0.13 -1.97 -2.34 132.00 129.96 2a3s h PRO 81 Ca -0.50 -0.77 -0.08 0.00 -0.87 0.00 0.00 66.00 63.77 2a3s h PRO 81 Cb 1.25 0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.64 2a3s h PRO 81 CO 0.63 1.36 -0.06 0.00 -0.23 0.00 0.00 178.00 179.69 2a3s h ALA 82 N 0.33 1.04 -0.01 -0.56 0.00 -1.99 -1.85 119.26 116.21 2a3s h ALA 82 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2a3s h ALA 82 Cb 2.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2a3s h ALA 82 CO 0.24 0.59 -0.15 0.43 0.00 0.00 0.00 179.25 180.36 2a3s n SER 83 N -4.19 0.88 0.02 0.00 7.64 -1.25 -4.13 113.62 112.60 2a3s n SER 83 Ca 0.02 -0.89 -0.10 0.00 1.01 0.00 0.00 58.87 58.90 2a3s n SER 83 Cb 0.34 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 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 1.15 -0.10 0.00 1.43 4.22 -0.75 0.93 114.58 121.46 2a3s h GLU 84 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2a3s h GLU 84 Cb 0.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2a3s h GLU 84 CO 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 179.01 176.76 2a3s h ALA 85 N 0.94 1.00 0.00 2.92 0.00 -1.72 -1.20 119.26 121.20 2a3s h ALA 85 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2a3s h ALA 85 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2a3s h ALA 85 CO -0.13 0.00 -0.88 1.17 0.00 0.00 0.00 179.25 179.42 2a3s n LYS 86 N -2.70 0.50 0.11 0.00 3.00 0.82 -4.07 118.16 115.81 2a3s n LYS 86 Ca -0.02 0.47 -0.14 0.00 -0.00 0.00 0.00 58.31 58.62 2a3s n LYS 86 Cb 0.05 -1.65 -0.07 0.00 0.00 0.00 0.00 35.03 33.37 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 -1.15 -1.70 3.14 -0.00 0.89 -0.14 115.31 115.35 2a3s h LEU 87 Ca -0.12 0.13 0.51 0.00 -0.00 0.00 0.00 57.88 58.40 2a3s h LEU 87 Cb 0.82 0.44 -0.11 0.00 -0.00 0.00 0.00 40.66 41.81 2a3s h LEU 87 CO -0.07 -0.46 1.13 -0.37 -0.00 0.00 0.00 178.44 178.66 2a3s h VAL 88 N -0.61 0.05 -0.82 0.15 -1.51 -1.43 1.18 116.25 113.26 2a3s h VAL 88 Ca 0.03 -0.01 0.15 0.00 -1.23 0.00 0.00 66.70 65.64 2a3s h VAL 88 Cb 0.65 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.78 2a3s h VAL 88 CO -0.24 0.00 0.54 -0.08 -1.23 0.00 0.00 177.57 176.56 2a3s h GLU 89 N 0.02 0.53 0.00 5.19 4.81 -1.16 1.04 114.58 125.01 2a3s h GLU 89 Ca 0.88 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.08 2a3s h GLU 89 Cb 3.20 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 32.46 2a3s h GLU 89 CO -0.23 0.35 -0.31 1.96 -0.73 0.00 0.00 179.01 180.06 2a3s h GLN 90 N 0.55 0.00 0.00 1.92 1.08 0.13 -3.24 115.11 115.55 2a3s h GLN 90 Ca 0.41 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.46 2a3s h GLN 90 Cb 0.79 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 2a3s h GLN 90 CO -0.16 0.00 -0.69 0.00 -0.95 0.00 0.00 178.83 177.03 2a3s h ALA 91 N 2.50 0.62 -0.51 3.87 0.00 0.13 -3.25 119.26 122.61 2a3s h ALA 91 Ca 0.00 -0.63 -0.35 0.00 0.00 0.00 0.00 54.91 53.93 2a3s h ALA 91 Cb 0.75 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.28 2a3s h ALA 91 CO 0.00 0.87 0.45 1.19 0.00 0.00 0.00 179.25 181.76 2a3s n PHE 92 N -3.37 1.66 -4.86 0.00 3.72 -0.34 -4.80 117.46 109.47 2a3s n PHE 92 Ca 0.01 -2.04 -0.28 0.00 -0.05 0.00 0.00 57.45 55.09 2a3s n PHE 92 Cb 0.78 -0.99 -0.17 0.00 -0.94 0.00 0.00 39.48 38.16 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 -1.96 2.18 0.19 -1.08 6.06 -1.23 -5.08 118.95 118.03 2a3s s ARG 93 Ca 0.33 -0.62 0.09 0.00 -2.50 0.00 0.00 55.73 53.04 2a3s s ARG 93 Cb 0.26 -1.75 -0.04 0.00 0.06 0.00 0.00 34.95 33.48 2a3s s ARG 93 CO -0.00 0.13 -0.13 0.21 -2.50 0.00 0.00 175.30 173.01 2a3s s LYS 94 N 0.41 1.94 -0.41 5.12 2.20 -1.26 -4.88 119.74 122.86 2a3s s LYS 94 Ca -0.14 -1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 53.87 2a3s s LYS 94 Cb -0.16 -2.08 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 2a3s s LYS 94 CO 0.05 0.42 0.99 1.03 -0.36 0.00 0.00 175.35 177.49 2a3s s ARG 95 N -2.81 3.78 -0.20 4.03 1.81 -1.26 -4.87 118.95 119.43 2a3s s ARG 95 Ca 0.24 0.55 0.12 0.00 -1.72 0.00 0.00 55.73 54.92 2a3s s ARG 95 Cb -0.08 -3.84 0.41 0.00 -0.45 0.00 0.00 34.95 30.98 2a3s s ARG 95 CO 0.14 -1.10 1.21 -2.13 -0.68 0.00 0.00 175.30 172.75 2a3s n ARG 96 N 7.11 1.53 -3.45 3.54 0.63 -1.26 -5.03 116.66 119.72 2a3s n ARG 96 Ca 0.09 -3.23 -0.23 0.00 -0.92 0.00 0.00 57.85 53.56 2a3s n ARG 96 Cb 0.48 -1.57 0.02 0.00 0.45 0.00 0.00 32.46 31.85 2a3s n ARG 96 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2a3s s GLN 97 N -3.12 2.30 -0.23 -0.14 -0.21 -1.26 -5.11 119.66 111.90 2a3s s GLN 97 Ca 0.38 -1.81 0.00 0.00 0.02 0.00 0.00 55.36 53.95 2a3s s GLN 97 Cb 0.37 -2.38 0.03 0.00 1.00 0.00 0.00 33.01 32.02 2a3s s GLN 97 CO -0.07 -0.71 -0.11 0.50 -2.12 0.00 0.00 175.29 172.78 2a3s s ARG 98 N -4.46 2.78 -0.42 2.91 3.00 -1.26 -4.99 118.95 116.51 2a3s s ARG 98 Ca 0.48 -1.00 0.08 0.00 -1.00 0.00 0.00 55.73 54.30 2a3s s ARG 98 Cb -0.04 -2.83 0.32 0.00 0.00 0.00 0.00 34.95 32.40 2a3s s ARG 98 CO 0.30 -0.37 0.92 0.41 0.00 0.00 0.00 175.30 176.57 2a3s n GLY 99 N 4.61 1.86 3.24 8.12 0.00 -1.26 -5.12 105.19 116.64 2a3s n GLY 99 Ca -0.17 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2a3s n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a3s s VAL 100 N -0.84 0.04 -2.58 1.61 -7.23 -1.26 -5.09 120.40 105.05 2a3s s VAL 100 Ca 0.30 -0.34 0.21 0.00 -1.81 0.00 0.00 61.98 60.34 2a3s s VAL 100 Cb 0.30 -0.58 0.16 0.00 0.56 0.00 0.00 36.38 36.83 2a3s s VAL 100 CO -0.08 -0.19 1.15 -0.24 -0.31 0.00 0.00 175.10 175.44