#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 -2.78 1.62 7.64 -1.26 -5.08 113.62 113.76 2a3s n SER 2 Ca 0.00 -0.42 -0.19 0.00 1.01 0.00 0.00 58.87 59.26 2a3s n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2a3s n SER 2 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2a3s n LYS 3 N 0.00 2.14 0.09 1.43 4.81 -1.26 -4.88 118.16 120.49 2a3s n LYS 3 Ca 0.00 -3.94 -0.04 0.00 -0.87 0.00 0.00 58.31 53.46 2a3s n LYS 3 Cb 0.00 -1.82 0.14 0.00 0.02 0.00 0.00 35.03 33.38 2a3s n LYS 3 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2a3s h PRO 4 N 2.88 0.23 0.05 1.64 0.13 -1.98 -3.34 132.00 131.61 2a3s h PRO 4 Ca 0.10 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2a3s h PRO 4 Cb 0.93 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2a3s h PRO 4 CO 0.66 0.73 -0.02 -1.00 -0.23 0.00 0.00 178.00 178.14 2a3s h PRO 5 N 0.18 -0.06 -7.67 1.56 0.13 -1.90 -3.38 132.00 120.86 2a3s h PRO 5 Ca -0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2a3s h PRO 5 Cb 1.04 0.01 0.12 0.00 0.13 0.00 0.00 31.00 32.31 2a3s h PRO 5 CO 0.09 0.21 0.40 0.71 -0.23 0.00 0.00 178.00 179.18 2a3s s TYR 6 N -2.00 2.48 0.00 1.56 2.02 -1.25 -3.28 117.35 116.88 2a3s s TYR 6 Ca -0.06 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 2a3s s TYR 6 Cb -0.01 -3.68 0.00 0.00 -0.40 0.00 0.00 41.96 37.88 2a3s s TYR 6 CO 0.21 -2.11 0.00 0.45 -1.57 0.00 0.00 175.55 172.53 2a3s n SER 7 N -3.50 0.00 -3.60 2.29 2.88 -1.26 -4.89 113.62 105.53 2a3s n SER 7 Ca 0.10 -0.07 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 2a3s n SER 7 Cb 0.60 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.08 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a3s n TYR 8 N 0.00 2.84 0.00 0.66 4.01 -1.26 -3.35 117.16 120.07 2a3s n TYR 8 Ca 0.00 -2.67 0.00 0.00 -0.16 0.00 0.00 57.90 55.07 2a3s n TYR 8 Cb 0.00 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 37.88 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 -0.02 0.00 0.00 -0.72 0.00 -1.26 -4.88 120.51 113.63 2a3s n ALA 9 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 2a3s n ALA 9 Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 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 0.13 -0.96 0.00 3.07 -1.87 -3.15 115.11 112.32 2a3s h GLN 10 Ca 0.00 -0.22 0.13 0.00 0.09 0.00 0.00 58.65 58.65 2a3s h GLN 10 Cb 0.00 0.08 -0.08 0.00 0.08 0.00 0.00 27.48 27.56 2a3s h GLN 10 CO 0.00 0.85 0.61 1.25 0.09 0.00 0.00 178.83 181.63 2a3s h LEU 11 N 0.04 0.82 -0.08 0.06 5.85 -1.88 0.07 115.31 120.19 2a3s h LEU 11 Ca -0.31 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2a3s h LEU 11 Cb 2.01 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 2a3s h LEU 11 CO 0.10 0.42 0.00 0.40 -0.34 0.00 0.00 178.44 179.02 2a3s h ILE 12 N 0.87 1.24 -1.00 4.05 1.08 -1.78 -2.05 117.51 119.92 2a3s h ILE 12 Ca 0.48 -0.76 0.23 0.00 -0.39 0.00 0.00 64.86 64.42 2a3s h ILE 12 Cb 0.59 1.59 -0.10 0.00 -3.07 0.00 0.00 36.82 35.83 2a3s h ILE 12 CO -0.25 0.21 0.63 0.58 -0.69 0.00 0.00 178.15 178.63 2a3s h VAL 13 N -0.13 0.61 0.00 1.67 2.07 -0.97 2.17 116.25 121.67 2a3s h VAL 13 Ca 0.02 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2a3s h VAL 13 Cb 0.33 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2a3s h VAL 13 CO 0.00 0.10 -0.19 1.56 0.02 0.00 0.00 177.57 179.06 2a3s h GLN 14 N 0.54 0.00 0.33 1.57 4.20 -1.04 -0.23 115.11 120.49 2a3s h GLN 14 Ca 0.57 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.27 2a3s h GLN 14 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2a3s h GLN 14 CO -0.33 0.19 -0.16 0.00 -0.67 0.00 0.00 178.83 177.87 2a3s h ALA 15 N 1.81 -0.65 0.00 3.87 0.00 0.42 -3.29 119.26 121.42 2a3s h ALA 15 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2a3s h ALA 15 Cb 0.88 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2a3s h ALA 15 CO 0.03 -0.62 0.00 -0.84 0.00 0.00 0.00 179.25 177.82 2a3s h ILE 16 N -0.74 0.00 0.00 0.00 -0.00 -1.26 -3.00 117.51 112.51 2a3s h ILE 16 Ca -0.05 -0.65 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 2a3s h ILE 16 Cb 0.34 1.62 0.00 0.00 -0.00 0.00 0.00 36.82 38.78 2a3s h ILE 16 CO 0.08 0.00 0.23 0.28 -0.00 0.00 0.00 178.15 178.74 2a3s h SER 17 N 0.00 0.00 -0.01 2.16 0.02 -1.09 0.63 113.55 115.26 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 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2a3s h SER 17 CO 0.00 0.00 -0.34 -0.24 -1.14 0.00 0.00 176.83 175.11 2a3s n SER 18 N -2.58 1.10 -4.56 3.07 2.88 -1.13 -5.01 113.62 107.38 2a3s n SER 18 Ca -0.02 -1.05 -0.29 0.00 -1.33 0.00 0.00 58.87 56.19 2a3s n SER 18 Cb 0.27 0.64 0.22 0.00 -0.75 0.00 0.00 64.21 64.59 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 -1.72 0.14 0.00 -1.46 0.00 0.22 -4.95 121.76 113.99 2a3s s ALA 19 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2a3s s ALA 19 Cb 0.09 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2a3s s ALA 19 CO 0.36 -3.43 0.00 0.00 0.00 0.00 0.00 175.76 172.69 2a3s n GLN 20 N -4.63 0.00 -0.00 0.00 0.00 -1.26 -4.33 117.38 107.16 2a3s n GLN 20 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 57.03 2a3s n GLN 20 Cb 0.55 -0.38 -0.01 0.00 0.00 0.00 0.00 30.24 30.40 2a3s n GLN 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2a3s h ASP 21 N 0.00 -0.07 0.00 2.61 1.82 -1.92 -3.47 116.42 115.39 2a3s h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2a3s h ASP 21 Cb 0.00 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2a3s h ASP 21 CO 0.00 0.31 0.00 -1.14 -1.61 0.00 0.00 179.24 176.80 2a3s n ARG 22 N -4.17 0.00 -4.19 0.28 3.00 -1.26 -5.00 116.66 105.31 2a3s n ARG 22 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.66 2a3s n ARG 22 Cb 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.38 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 0.00 0.88 0.02 -0.14 -2.07 -1.26 -3.05 119.66 114.04 2a3s s GLN 23 Ca 0.00 -1.06 0.01 0.00 -1.82 0.00 0.00 55.36 52.49 2a3s s GLN 23 Cb 0.00 -0.82 -0.02 0.00 -1.09 0.00 0.00 33.01 31.08 2a3s s GLN 23 CO 0.00 0.17 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.58 2a3s s LEU 24 N -2.03 2.20 0.71 2.60 1.43 -0.22 -4.51 118.68 118.86 2a3s s LEU 24 Ca 0.02 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2a3s s LEU 24 Cb -0.08 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.11 2a3s s LEU 24 CO 0.02 -0.20 1.09 0.42 0.23 0.00 0.00 176.35 177.91 2a3s s THR 25 N -1.15 3.61 0.54 5.49 -4.23 -1.26 -2.03 115.64 116.61 2a3s s THR 25 Ca -0.10 0.52 0.33 0.00 -1.18 0.00 0.00 61.69 61.26 2a3s s THR 25 Cb -0.08 -3.48 0.50 0.00 1.34 0.00 0.00 72.50 70.78 2a3s s THR 25 CO -0.00 -0.68 1.85 0.25 -0.54 0.00 0.00 174.62 175.50 2a3s h LEU 26 N -0.66 0.00 -3.71 4.79 6.46 -1.94 1.34 115.31 121.59 2a3s h LEU 26 Ca -0.45 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.01 2a3s h LEU 26 Cb 1.25 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 40.99 2a3s h LEU 26 CO 0.63 0.00 0.39 -1.20 -0.62 0.00 0.00 178.44 177.63 2a3s n SER 27 N -4.19 4.38 -0.11 1.25 7.64 -1.26 -4.26 113.62 117.07 2a3s n SER 27 Ca 0.20 -3.27 -0.21 0.00 1.01 0.00 0.00 58.87 56.60 2a3s n SER 27 Cb 1.05 -0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.43 -0.46 0.38 0.23 0.00 0.46 -2.67 105.19 102.69 2a3s n GLY 28 Ca 0.45 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.96 0.72 0.00 -0.61 -0.00 -1.74 0.63 117.51 115.56 2a3s h ILE 29 Ca -0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.44 2a3s h ILE 29 Cb 1.35 0.74 -0.00 0.00 -0.00 0.00 0.00 36.82 38.91 2a3s h ILE 29 CO -0.25 0.00 -0.10 1.88 -0.00 0.00 0.00 178.15 179.68 2a3s h TYR 30 N 0.00 0.00 -0.08 2.19 0.05 -1.74 -3.02 116.97 114.37 2a3s h TYR 30 Ca 0.24 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.04 2a3s h TYR 30 Cb 0.96 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.70 2a3s h TYR 30 CO 0.00 0.04 0.19 0.00 -1.05 0.00 0.00 178.16 177.34 2a3s h ALA 31 N -0.96 1.43 0.23 3.88 0.00 -1.22 -0.61 119.26 122.00 2a3s h ALA 31 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2a3s h ALA 31 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2a3s h ALA 31 CO -0.00 -0.23 -0.11 1.25 0.00 0.00 0.00 179.25 180.16 2a3s h HIS 32 N 0.00 -0.29 -0.98 0.00 -0.00 0.17 -3.07 115.15 110.98 2a3s h HIS 32 Ca 0.04 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2a3s h HIS 32 Cb 0.41 0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.86 2a3s h HIS 32 CO 0.00 -0.18 0.65 0.97 -0.00 0.00 0.00 177.93 179.36 2a3s h ILE 33 N -0.98 1.20 -0.96 6.26 -0.00 -1.33 -1.09 117.51 120.60 2a3s h ILE 33 Ca -0.03 -0.44 0.06 0.00 -0.00 0.00 0.00 64.86 64.45 2a3s h ILE 33 Cb 0.24 -0.18 -0.06 0.00 -0.00 0.00 0.00 36.82 36.82 2a3s h ILE 33 CO 0.05 0.23 0.62 0.71 -0.00 0.00 0.00 178.15 179.77 2a3s h THR 34 N 1.27 1.10 0.00 2.19 1.35 -1.23 1.33 112.91 118.92 2a3s h THR 34 Ca 0.38 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2a3s h THR 34 Cb -0.04 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.25 2a3s h THR 34 CO -0.11 0.21 -0.22 0.29 -0.25 0.00 0.00 175.52 175.43 2a3s n LYS 35 N -4.48 0.02 -0.00 4.72 4.76 -0.82 -4.43 118.16 117.93 2a3s n LYS 35 Ca 0.14 0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2a3s n LYS 35 Cb 0.16 -1.52 -0.00 0.00 -1.84 0.00 0.00 35.03 31.84 2a3s n LYS 35 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2a3s n HIS 36 N -1.54 0.00 -2.65 2.13 8.25 0.27 -4.92 115.22 116.76 2a3s n HIS 36 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 2a3s n HIS 36 Cb 0.34 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.04 3.18 0.13 4.41 2.02 0.43 -4.91 117.35 121.57 2a3s s TYR 37 Ca -0.00 1.23 -0.02 0.00 -0.37 0.00 0.00 57.07 57.90 2a3s s TYR 37 Cb 0.00 -3.63 -0.12 0.00 -0.40 0.00 0.00 41.96 37.81 2a3s s TYR 37 CO 0.01 -0.73 1.29 -1.00 -1.57 0.00 0.00 175.55 173.55 2a3s h PRO 38 N 8.00 0.31 0.00 -1.71 0.13 -1.82 -3.15 132.00 133.76 2a3s h PRO 38 Ca -0.20 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2a3s h PRO 38 Cb 1.06 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2a3s h PRO 38 CO 1.02 1.09 0.00 2.48 -0.23 0.00 0.00 178.00 182.36 2a3s n TYR 39 N -3.66 0.19 0.24 1.56 4.11 -1.26 -0.71 117.16 117.62 2a3s n TYR 39 Ca -0.06 0.09 0.12 0.00 -0.00 0.00 0.00 57.90 58.05 2a3s n TYR 39 Cb 0.87 -0.65 0.03 0.00 -0.00 0.00 0.00 39.34 39.59 2a3s n TYR 39 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2a3s n TYR 40 N -1.69 0.78 -0.30 -3.48 4.01 -1.19 -2.67 117.16 112.61 2a3s n TYR 40 Ca 0.01 0.23 -0.05 0.00 -0.16 0.00 0.00 57.90 57.92 2a3s n TYR 40 Cb 0.06 -0.83 0.08 0.00 -0.31 0.00 0.00 39.34 38.35 2a3s n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a3s h ARG 41 N 0.00 1.21 0.00 -0.72 3.08 -1.04 -3.12 114.38 113.78 2a3s h ARG 41 Ca 0.00 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 2a3s h ARG 41 Cb 0.92 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2a3s h ARG 41 CO 0.00 0.95 -2.02 0.25 -1.07 0.00 0.00 179.97 178.08 2a3s n THR 42 N -4.29 0.41 -3.52 2.04 -2.24 -1.25 -4.74 114.28 100.69 2a3s n THR 42 Ca 0.08 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 2a3s n THR 42 Cb 0.16 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.24 3.69 -0.77 6.98 0.00 -1.09 -4.96 121.76 122.36 2a3s s ALA 43 Ca -0.08 -3.02 0.03 0.00 0.00 0.00 0.00 51.96 48.88 2a3s s ALA 43 Cb 0.12 -3.02 0.24 0.00 0.00 0.00 0.00 23.12 20.46 2a3s s ALA 43 CO 0.88 -2.10 0.83 -0.25 0.00 0.00 0.00 175.76 175.13 2a3s n ASP 44 N 4.17 4.16 0.00 0.00 8.00 -1.26 -4.51 116.55 127.10 2a3s n ASP 44 Ca 0.04 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.19 2a3s n ASP 44 Cb 0.42 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 2a3s n ASP 44 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2a3s n LYS 45 N 1.38 0.17 -0.79 -1.24 2.85 -1.26 -4.77 118.16 114.49 2a3s n LYS 45 Ca 0.26 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.57 2a3s n LYS 45 Cb 0.38 0.00 0.34 0.00 -0.65 0.00 0.00 35.03 35.10 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2a3s n GLY 46 N 0.40 3.47 0.10 2.58 0.00 -1.26 -4.49 105.19 105.98 2a3s n GLY 46 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 0.12 0.47 0.00 1.61 4.27 -1.26 -2.53 117.44 120.12 2a3s n TRP 47 Ca 0.28 0.24 0.00 0.00 -3.89 0.00 0.00 57.50 54.13 2a3s n TRP 47 Cb 1.14 -0.88 0.00 0.00 -1.36 0.00 0.00 31.31 30.21 2a3s n TRP 47 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 2a3s n GLN 48 N -1.98 0.00 0.13 -2.67 -0.06 -1.26 -1.14 117.38 110.40 2a3s n GLN 48 Ca -0.00 0.08 0.10 0.00 -2.00 0.00 0.00 57.00 55.18 2a3s n GLN 48 Cb 0.05 -1.07 0.49 0.00 -4.06 0.00 0.00 30.24 25.65 2a3s n GLN 48 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2a3s n ASN 49 N -0.74 0.52 -0.03 1.69 5.03 -1.22 -2.41 115.26 118.08 2a3s n ASN 49 Ca 0.00 0.69 -0.14 0.00 0.87 0.00 0.00 54.58 56.01 2a3s n ASN 49 Cb 0.00 -0.78 -0.10 0.00 -1.02 0.00 0.00 39.78 37.88 2a3s n ASN 49 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2a3s h SER 50 N 0.00 0.18 0.67 6.41 0.87 -1.36 -3.04 113.55 117.28 2a3s h SER 50 Ca 0.00 -0.62 -0.03 0.00 -1.23 0.00 0.00 61.79 59.91 2a3s h SER 50 Cb 0.13 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2a3s h SER 50 CO 0.00 0.77 -0.43 0.40 -0.53 0.00 0.00 176.83 177.04 2a3s h ILE 51 N -0.40 0.13 -0.91 2.23 1.08 -0.77 0.96 117.51 119.84 2a3s h ILE 51 Ca -0.00 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.70 2a3s h ILE 51 Cb 0.75 0.13 -0.13 0.00 -3.07 0.00 0.00 36.82 34.51 2a3s h ILE 51 CO 0.03 0.00 0.39 0.08 -0.69 0.00 0.00 178.15 177.96 2a3s h ARG 52 N -1.04 0.36 0.00 2.37 0.11 -1.68 1.54 114.38 116.03 2a3s h ARG 52 Ca -0.08 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.87 2a3s h ARG 52 Cb 0.85 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.83 2a3s h ARG 52 CO 0.07 0.24 -0.50 1.25 0.10 0.00 0.00 179.97 181.13 2a3s h HIS 53 N 0.37 0.00 -0.28 4.08 2.76 -1.30 -3.22 115.15 117.56 2a3s h HIS 53 Ca 0.58 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.57 2a3s h HIS 53 Cb 1.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.08 2a3s h HIS 53 CO -0.14 0.50 -0.51 -0.91 -1.30 0.00 0.00 177.93 175.58 2a3s h ASN 54 N 0.00 0.93 0.67 3.26 2.35 1.00 -1.88 115.58 121.91 2a3s h ASN 54 Ca -0.01 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 2a3s h ASN 54 Cb 1.16 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2a3s h ASN 54 CO 0.07 1.29 0.00 0.18 -1.65 0.00 0.00 177.43 177.31 2a3s n LEU 55 N -4.06 0.23 -0.01 1.61 7.99 0.49 -0.72 117.00 122.54 2a3s n LEU 55 Ca -0.05 0.55 -0.21 0.00 -0.01 0.00 0.00 56.01 56.29 2a3s n LEU 55 Cb 0.61 -0.51 -0.14 0.00 -0.11 0.00 0.00 43.42 43.27 2a3s n LEU 55 CO 0.49 -0.30 -0.81 -1.20 -1.51 0.00 0.00 177.39 174.06 2a3s n SER 56 N -1.75 2.11 0.09 -1.43 7.64 -1.06 -3.40 113.62 115.83 2a3s n SER 56 Ca 0.04 0.21 -0.21 0.00 1.01 0.00 0.00 58.87 59.92 2a3s n SER 56 Cb 0.22 -0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 62.44 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 0.82 -9.26 -3.43 3.38 -1.15 -3.46 115.31 102.21 2a3s h LEU 57 Ca -0.43 -0.75 -0.65 0.00 0.09 0.00 0.00 57.88 56.14 2a3s h LEU 57 Cb 1.98 -0.26 0.10 0.00 0.09 0.00 0.00 40.66 42.57 2a3s h LEU 57 CO 0.06 1.56 -0.03 0.59 0.09 0.00 0.00 178.44 180.71 2a3s n ASN 58 N -3.77 0.46 -0.06 -0.43 5.03 0.10 -4.80 115.26 111.80 2a3s n ASN 58 Ca -0.13 1.15 0.14 0.00 0.87 0.00 0.00 54.58 56.62 2a3s n ASN 58 Cb 0.98 -1.14 0.79 0.00 -1.02 0.00 0.00 39.78 39.39 2a3s n ASN 58 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2a3s n ARG 59 N 1.15 1.08 -0.00 3.52 0.00 -1.26 -3.43 116.66 117.72 2a3s n ARG 59 Ca 0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2a3s n ARG 59 Cb 0.26 -1.44 -0.00 0.00 -0.00 0.00 0.00 32.46 31.28 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 -0.81 0.00 -3.23 2.89 4.11 -1.26 -5.00 117.16 113.86 2a3s n TYR 60 Ca 0.21 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.83 2a3s n TYR 60 Cb 0.12 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.44 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 -1.58 3.49 0.26 -3.48 0.08 -1.22 -0.20 117.98 115.33 2a3s s PHE 61 Ca -0.00 0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.71 2a3s s PHE 61 Cb 0.00 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 2a3s s PHE 61 CO 0.01 0.09 0.30 0.44 -0.10 0.00 0.00 175.22 175.95 2a3s n ILE 62 N -1.29 0.00 -4.10 0.64 -6.64 0.69 -4.76 119.36 103.92 2a3s n ILE 62 Ca -0.02 -1.62 -0.10 0.00 -1.77 0.00 0.00 62.75 59.24 2a3s n ILE 62 Cb 0.54 0.89 -0.10 0.00 -1.44 0.00 0.00 39.64 39.53 2a3s n ILE 62 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 2a3s s LYS 63 N -2.83 0.63 -0.34 6.28 2.20 -1.26 -1.04 119.74 123.37 2a3s s LYS 63 Ca 0.27 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 2a3s s LYS 63 Cb 0.00 -0.06 0.14 0.00 -1.51 0.00 0.00 37.83 36.41 2a3s s LYS 63 CO 0.19 -0.03 0.25 0.14 -0.36 0.00 0.00 175.35 175.53 2a3s s VAL 64 N -2.91 -0.05 0.89 4.02 -7.23 -0.78 -4.84 120.40 109.50 2a3s s VAL 64 Ca 0.02 -1.31 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 2a3s s VAL 64 Cb 0.01 -0.97 0.13 0.00 0.56 0.00 0.00 36.38 36.11 2a3s s VAL 64 CO -0.05 -0.82 1.20 -2.16 -0.31 0.00 0.00 175.10 172.97 2a3s s PRO 65 N 1.38 1.28 0.00 4.82 0.04 -1.26 -4.49 135.00 136.77 2a3s s PRO 65 Ca 0.16 0.02 0.21 0.00 0.04 0.00 0.00 61.00 61.43 2a3s s PRO 65 Cb -0.19 -1.88 0.38 0.00 0.04 0.00 0.00 34.50 32.84 2a3s s PRO 65 CO -0.07 -2.05 1.33 0.54 0.04 0.00 0.00 177.00 176.79 2a3s n ARG 66 N -3.61 2.37 -4.48 4.56 1.74 -1.26 -4.96 116.66 111.01 2a3s n ARG 66 Ca 0.10 -2.17 -0.23 0.00 -0.77 0.00 0.00 57.85 54.78 2a3s n ARG 66 Cb 0.60 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.47 2a3s n ARG 66 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2a3s s SER 67 N -1.42 2.72 0.00 0.55 1.04 -1.26 -5.02 113.70 110.31 2a3s s SER 67 Ca 0.35 -1.36 0.28 0.00 0.48 0.00 0.00 55.95 55.70 2a3s s SER 67 Cb 0.21 -0.16 1.08 0.00 0.10 0.00 0.00 66.02 67.25 2a3s s SER 67 CO 0.29 -0.55 1.81 1.67 0.98 0.00 0.00 173.24 177.43 2a3s n GLN 68 N -0.74 0.07 -3.99 4.02 0.00 -1.26 -4.85 117.38 110.64 2a3s n GLN 68 Ca -0.03 -0.02 -0.26 0.00 -0.00 0.00 0.00 57.00 56.69 2a3s n GLN 68 Cb 0.66 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.38 2a3s n GLN 68 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2a3s s GLU 69 N -2.94 2.27 -0.26 3.69 8.01 -1.26 -5.11 118.70 123.10 2a3s s GLU 69 Ca 0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 54.97 53.09 2a3s s GLU 69 Cb 0.19 -2.04 0.01 0.00 -4.31 0.00 0.00 34.13 27.97 2a3s s GLU 69 CO 0.56 -0.48 0.00 -1.21 0.01 0.00 0.00 175.26 174.14 2a3s s GLU 70 N -4.17 3.09 0.80 1.61 0.41 -1.26 -4.93 118.70 114.24 2a3s s GLU 70 Ca 0.33 -0.83 -0.14 0.00 -0.41 0.00 0.00 54.97 53.92 2a3s s GLU 70 Cb -0.01 -3.16 0.19 0.00 -1.78 0.00 0.00 34.13 29.37 2a3s s GLU 70 CO 0.20 -0.36 0.97 -0.35 -0.49 0.00 0.00 175.26 175.23 2a3s n PRO 71 N 4.78 -1.43 0.06 0.39 -0.04 -1.26 -4.99 135.00 132.51 2a3s n PRO 71 Ca -0.16 -1.51 -0.11 0.00 -0.04 0.00 0.00 63.50 61.67 2a3s n PRO 71 Cb 0.48 -1.10 -0.13 0.00 -0.04 0.00 0.00 33.50 32.71 2a3s n PRO 71 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2a3s h GLY 72 N -1.57 0.13 -4.92 0.55 0.00 -2.09 -3.45 103.07 91.73 2a3s h GLY 72 Ca -0.33 -0.32 -0.66 0.00 0.00 0.00 0.00 47.33 46.02 2a3s h GLY 72 CO 0.23 0.28 -0.64 1.25 0.00 0.00 0.00 176.54 177.66 2a3s s LYS 73 N -2.66 2.82 0.00 4.80 2.20 -1.26 -5.12 119.74 120.52 2a3s s LYS 73 Ca -0.03 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2a3s s LYS 73 Cb 0.08 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2a3s s LYS 73 CO 0.84 0.63 0.00 0.41 -0.36 0.00 0.00 175.35 176.87 2a3s n GLY 74 N 1.38 -0.65 1.14 5.54 0.00 -1.26 -5.04 105.19 106.31 2a3s n GLY 74 Ca -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2a3s n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a3s n SER 75 N -0.72 0.00 -3.66 1.61 3.41 -1.26 -4.98 113.62 108.02 2a3s n SER 75 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 2a3s n SER 75 Cb 0.00 0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 2a3s n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2a3s s PHE 76 N -1.72 -0.90 0.37 7.33 2.19 -1.26 -3.76 117.98 120.23 2a3s s PHE 76 Ca 0.00 1.72 0.04 0.00 0.33 0.00 0.00 56.93 59.02 2a3s s PHE 76 Cb 0.00 0.45 -0.05 0.00 -1.31 0.00 0.00 43.02 42.11 2a3s s PHE 76 CO 0.00 -0.49 0.07 1.67 1.83 0.00 0.00 175.22 178.30 2a3s s TRP 77 N 2.24 1.92 0.31 10.12 1.48 -0.86 -1.87 118.94 132.29 2a3s s TRP 77 Ca -0.06 -1.05 -0.19 0.00 -1.06 0.00 0.00 56.10 53.75 2a3s s TRP 77 Cb -0.10 -1.29 0.04 0.00 -1.16 0.00 0.00 33.47 30.95 2a3s s TRP 77 CO -0.15 -0.05 0.76 -0.98 -4.06 0.00 0.00 176.95 172.47 2a3s s ARG 78 N -3.83 1.93 0.08 3.25 1.70 -0.21 -1.05 118.95 120.82 2a3s s ARG 78 Ca 0.30 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.44 2a3s s ARG 78 Cb 0.06 0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 35.01 2a3s s ARG 78 CO 0.14 -0.89 0.12 0.96 -1.08 0.00 0.00 175.30 174.55 2a3s s ILE 79 N -3.27 4.77 0.49 4.99 -4.36 -1.17 0.25 121.20 122.90 2a3s s ILE 79 Ca 0.13 -0.67 -0.24 0.00 -0.26 0.00 0.00 60.65 59.61 2a3s s ILE 79 Cb -0.05 -3.32 -0.07 0.00 1.25 0.00 0.00 42.46 40.27 2a3s s ILE 79 CO 0.08 0.12 1.36 -0.90 0.24 0.00 0.00 174.94 175.85 2a3s n ASP 80 N 0.37 2.88 0.19 4.36 5.68 0.72 -4.83 116.55 125.91 2a3s n ASP 80 Ca -0.08 1.05 0.13 0.00 -0.50 0.00 0.00 54.79 55.40 2a3s n ASP 80 Cb 0.52 -1.57 0.31 0.00 -1.14 0.00 0.00 41.12 39.23 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2a3s h PRO 81 N 1.87 0.00 0.00 0.11 0.13 -1.97 -2.31 132.00 129.82 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2a3s h PRO 81 CO 0.59 0.00 -1.09 0.00 -0.23 0.00 0.00 178.00 177.27 2a3s n ALA 82 N -1.98 2.55 0.75 -0.56 0.00 -1.26 -3.83 120.51 116.18 2a3s n ALA 82 Ca 0.04 -0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.31 2a3s n ALA 82 Cb 0.46 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.64 1.96 0.16 0.00 7.64 -1.21 -4.49 113.62 115.04 2a3s n SER 83 Ca -0.00 -1.48 -0.14 0.00 1.01 0.00 0.00 58.87 58.26 2a3s n SER 83 Cb 0.55 0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.99 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 2.45 -0.38 0.00 1.43 4.22 -1.51 1.48 114.58 122.26 2a3s h GLU 84 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2a3s h GLU 84 Cb 0.64 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2a3s h GLU 84 CO 0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 179.01 176.58 2a3s h ALA 85 N 0.36 1.00 0.00 2.92 0.00 -1.79 -1.26 119.26 120.49 2a3s h ALA 85 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2a3s h ALA 85 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2a3s h ALA 85 CO 0.00 0.00 -0.73 1.17 0.00 0.00 0.00 179.25 179.69 2a3s n LYS 86 N -2.49 0.48 0.09 0.00 4.81 0.57 -3.96 118.16 117.67 2a3s n LYS 86 Ca -0.02 0.48 -0.15 0.00 -0.87 0.00 0.00 58.31 57.76 2a3s n LYS 86 Cb 0.05 -1.66 -0.08 0.00 0.02 0.00 0.00 35.03 33.36 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 -1.40 -1.52 3.14 -0.00 0.21 0.82 115.31 115.56 2a3s h LEU 87 Ca -0.06 0.16 0.47 0.00 -0.00 0.00 0.00 57.88 58.44 2a3s h LEU 87 Cb 0.71 0.53 -0.12 0.00 -0.00 0.00 0.00 40.66 41.77 2a3s h LEU 87 CO -0.04 -0.51 0.96 -0.37 -0.00 0.00 0.00 178.44 178.48 2a3s h VAL 88 N -0.67 0.08 -0.81 0.15 -1.51 -1.44 1.54 116.25 113.60 2a3s h VAL 88 Ca 0.02 -0.02 0.14 0.00 -1.23 0.00 0.00 66.70 65.61 2a3s h VAL 88 Cb 0.70 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.84 2a3s h VAL 88 CO -0.29 0.01 0.53 -0.08 -1.23 0.00 0.00 177.57 176.51 2a3s h GLU 89 N 0.05 0.54 -0.01 5.19 4.81 -0.95 0.79 114.58 125.00 2a3s h GLU 89 Ca 0.85 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.05 2a3s h GLU 89 Cb 2.83 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 32.09 2a3s h GLU 89 CO -0.35 0.36 -0.16 1.04 -0.73 0.00 0.00 179.01 179.16 2a3s n GLN 90 N -4.51 1.17 0.04 1.92 1.13 0.52 -3.38 117.38 114.27 2a3s n GLN 90 Ca 0.15 -0.70 -0.02 0.00 -1.94 0.00 0.00 57.00 54.49 2a3s n GLN 90 Cb 0.48 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.33 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a3s h ALA 91 N 3.94 -0.28 0.00 -1.58 0.00 0.11 -3.34 119.26 118.11 2a3s h ALA 91 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2a3s h ALA 91 Cb 0.52 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2a3s h ALA 91 CO 0.00 -0.27 -0.27 0.74 0.00 0.00 0.00 179.25 179.45 2a3s h PHE 92 N -0.47 0.00 -2.59 0.00 0.04 -1.71 -3.43 116.94 108.78 2a3s h PHE 92 Ca -0.01 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.20 2a3s h PHE 92 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2a3s h PHE 92 CO 0.03 0.27 1.15 1.03 -0.60 0.00 0.00 178.31 180.19 2a3s s ARG 93 N -3.68 3.95 0.31 1.51 1.81 -1.22 -4.96 118.95 116.67 2a3s s ARG 93 Ca 0.00 2.03 -0.26 0.00 -1.72 0.00 0.00 55.73 55.78 2a3s s ARG 93 Cb 0.11 -4.05 -0.10 0.00 -0.45 0.00 0.00 34.95 30.46 2a3s s ARG 93 CO 0.65 -1.12 0.93 0.15 -0.68 0.00 0.00 175.30 175.24 2a3s s LYS 94 N 4.49 4.58 -0.54 3.54 1.02 -1.26 -4.87 119.74 126.70 2a3s s LYS 94 Ca 0.76 1.31 -0.26 0.00 0.02 0.00 0.00 55.97 57.80 2a3s s LYS 94 Cb -0.31 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2a3s s LYS 94 CO 0.31 0.29 2.17 1.03 -0.92 0.00 0.00 175.35 178.24 2a3s s ARG 95 N -2.02 2.34 1.06 1.68 0.52 -1.20 -4.94 118.95 116.38 2a3s s ARG 95 Ca 0.49 1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 56.61 2a3s s ARG 95 Cb -0.19 -4.50 0.26 0.00 0.52 0.00 0.00 34.95 31.05 2a3s s ARG 95 CO 0.24 -3.03 0.94 0.54 0.02 0.00 0.00 175.30 174.01 2a3s n ARG 96 N 9.08 -2.84 0.07 3.54 1.74 -1.26 -4.73 116.66 122.25 2a3s n ARG 96 Ca 0.30 -1.50 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 2a3s n ARG 96 Cb 0.54 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2a3s n ARG 96 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2a3s n GLN 97 N -4.37 0.00 0.00 5.56 0.00 -1.26 -4.96 117.38 112.35 2a3s n GLN 97 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 2a3s n GLN 97 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.75 2a3s n GLN 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2a3s n ARG 98 N -2.94 0.25 0.00 3.69 1.74 -1.26 -5.08 116.66 113.06 2a3s n ARG 98 Ca 0.00 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 2a3s n ARG 98 Cb 0.00 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2a3s n ARG 98 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a3s n GLY 99 N -0.12 2.64 3.60 -0.13 0.00 -1.26 -5.18 105.19 104.74 2a3s n GLY 99 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.20 0.00 0.00 1.61 0.11 -1.26 -4.83 120.40 116.23 2a3s s VAL 100 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2a3s s VAL 100 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2a3s s VAL 100 CO 0.00 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.53