#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 4.86 -0.63 1.62 0.15 -1.26 -5.08 113.70 113.36 2a3s s SER 2 Ca 0.00 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.95 2a3s s SER 2 Cb 0.00 -0.72 0.15 0.00 -1.71 0.00 0.00 66.02 63.74 2a3s s SER 2 CO 0.00 -0.41 0.41 -1.59 1.20 0.00 0.00 173.24 172.84 2a3s s LYS 3 N -3.94 2.30 -0.18 5.44 0.00 -1.26 -4.94 119.74 117.16 2a3s s LYS 3 Ca 0.41 -3.02 0.08 0.00 0.00 0.00 0.00 55.97 53.45 2a3s s LYS 3 Cb -0.03 -3.41 0.53 0.00 0.00 0.00 0.00 37.83 34.92 2a3s s LYS 3 CO 0.25 -1.21 1.38 -0.35 0.00 0.00 0.00 175.35 175.42 2a3s n PRO 4 N 2.51 3.34 0.00 1.78 -0.04 -1.26 -4.68 135.00 136.66 2a3s n PRO 4 Ca 0.13 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 2a3s n PRO 4 Cb 0.34 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2a3s n PRO 4 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2a3s n PRO 5 N 0.26 0.00 -3.68 0.54 -0.04 -1.26 -4.83 135.00 125.99 2a3s n PRO 5 Ca 0.22 0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2a3s n PRO 5 Cb 0.95 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.70 -0.23 0.58 0.54 1.51 -1.26 -4.63 117.35 113.16 2a3s s TYR 6 Ca 0.00 0.16 -0.08 0.00 -1.01 0.00 0.00 57.07 56.14 2a3s s TYR 6 Cb 0.00 0.19 0.12 0.00 -0.11 0.00 0.00 41.96 42.16 2a3s s TYR 6 CO 0.00 -0.56 0.27 0.43 -1.11 0.00 0.00 175.55 174.58 2a3s n SER 7 N 0.50 -2.30 -4.31 2.29 7.64 -1.26 -4.76 113.62 111.42 2a3s n SER 7 Ca -0.18 -0.28 -0.44 0.00 1.01 0.00 0.00 58.87 58.98 2a3s n SER 7 Cb 0.60 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.70 4.57 0.00 1.43 4.01 -1.26 -3.78 117.16 118.43 2a3s n TYR 8 Ca 0.04 -3.40 0.00 0.00 -0.16 0.00 0.00 57.90 54.38 2a3s n TYR 8 Cb 0.19 -1.91 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 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 4.02 0.00 -0.01 -0.72 0.00 -1.26 -4.85 120.51 117.69 2a3s n ALA 9 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 2a3s n ALA 9 Cb 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 2a3s n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2a3s h GLN 10 N 0.00 0.06 -0.43 0.00 4.20 -1.89 -3.14 115.11 113.91 2a3s h GLN 10 Ca 0.00 -0.10 0.13 0.00 0.06 0.00 0.00 58.65 58.73 2a3s h GLN 10 Cb 0.00 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2a3s h GLN 10 CO 0.00 0.67 0.37 -0.07 -0.67 0.00 0.00 178.83 179.13 2a3s h LEU 11 N 0.02 0.00 0.02 1.46 -0.00 -1.86 0.45 115.31 115.40 2a3s h LEU 11 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2a3s h LEU 11 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 2a3s h LEU 11 CO 0.08 0.00 -0.01 0.40 -0.00 0.00 0.00 178.44 178.91 2a3s h ILE 12 N 0.00 1.36 0.03 1.22 1.08 -1.92 -1.61 117.51 117.66 2a3s h ILE 12 Ca 0.21 -1.83 0.01 0.00 -0.39 0.00 0.00 64.86 62.86 2a3s h ILE 12 Cb 0.95 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 37.15 2a3s h ILE 12 CO -0.00 0.43 -0.21 0.58 -0.69 0.00 0.00 178.15 178.25 2a3s h VAL 13 N -0.91 0.00 -0.19 1.67 2.07 -0.92 1.58 116.25 119.55 2a3s h VAL 13 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2a3s h VAL 13 Cb 0.73 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2a3s h VAL 13 CO 0.01 0.00 0.21 -0.61 0.02 0.00 0.00 177.57 177.20 2a3s h GLN 14 N -0.29 0.00 0.13 1.57 4.15 -1.35 2.39 115.11 121.70 2a3s h GLN 14 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2a3s h GLN 14 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2a3s h GLN 14 CO -0.13 0.00 -0.06 0.00 -1.93 0.00 0.00 178.83 176.71 2a3s h ALA 15 N 1.75 -0.17 0.00 3.38 0.00 0.79 -2.93 119.26 122.07 2a3s h ALA 15 Ca 0.09 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 2a3s h ALA 15 Cb 0.52 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2a3s h ALA 15 CO -0.00 -0.36 -1.39 0.82 0.00 0.00 0.00 179.25 178.32 2a3s h ILE 16 N -0.65 1.08 -0.52 0.00 2.04 0.32 -3.24 117.51 116.53 2a3s h ILE 16 Ca -0.02 -2.82 0.01 0.00 1.00 0.00 0.00 64.86 63.03 2a3s h ILE 16 Cb 0.50 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2a3s h ILE 16 CO 0.03 0.61 0.33 -1.28 0.00 0.00 0.00 178.15 177.85 2a3s h SER 17 N 0.00 0.56 0.83 1.72 0.87 0.39 -0.72 113.55 117.20 2a3s h SER 17 Ca -0.17 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2a3s h SER 17 Cb 1.86 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2a3s h SER 17 CO 0.09 0.40 0.00 -0.24 -0.53 0.00 0.00 176.83 176.55 2a3s n SER 18 N -4.75 0.00 -4.20 6.23 2.88 -1.11 -4.81 113.62 107.85 2a3s n SER 18 Ca 0.03 0.33 -0.29 0.00 -1.33 0.00 0.00 58.87 57.61 2a3s n SER 18 Cb 0.05 -0.44 0.24 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.88 0.00 0.00 -1.46 0.00 -0.28 -4.93 121.76 112.21 2a3s s ALA 19 Ca 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2a3s s ALA 19 Cb 0.18 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2a3s s ALA 19 CO 0.48 -3.72 0.39 1.04 0.00 0.00 0.00 175.76 173.96 2a3s n GLN 20 N -4.86 0.00 0.00 0.00 6.02 -1.26 -4.41 117.38 112.87 2a3s n GLN 20 Ca 0.07 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2a3s n GLN 20 Cb 0.57 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.94 2a3s n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2a3s n ASP 21 N -0.72 0.00 0.00 1.08 2.03 -1.26 -4.98 116.55 112.70 2a3s n ASP 21 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2a3s n ASP 21 Cb 0.00 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a3s n ARG 22 N -1.99 0.00 -4.32 -0.67 1.85 -1.26 -4.85 116.66 105.43 2a3s n ARG 22 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 2a3s n ARG 22 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2a3s s GLN 23 N 0.00 0.79 0.04 2.89 0.00 -1.26 -2.63 119.66 119.49 2a3s s GLN 23 Ca 0.00 -0.58 0.02 0.00 -0.00 0.00 0.00 55.36 54.80 2a3s s GLN 23 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 33.01 32.24 2a3s s GLN 23 CO 0.00 0.19 -0.07 -0.51 0.00 0.00 0.00 175.29 174.90 2a3s s LEU 24 N -0.82 2.28 0.70 2.60 1.43 0.66 -4.78 118.68 120.74 2a3s s LEU 24 Ca 0.01 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 2a3s s LEU 24 Cb -0.06 -0.13 0.01 0.00 0.03 0.00 0.00 46.19 46.03 2a3s s LEU 24 CO 0.00 -0.24 1.08 0.42 0.23 0.00 0.00 176.35 177.85 2a3s s THR 25 N -1.59 3.72 0.45 5.49 -4.23 -1.26 0.27 115.64 118.49 2a3s s THR 25 Ca -0.09 0.56 0.23 0.00 -1.18 0.00 0.00 61.69 61.22 2a3s s THR 25 Cb -0.09 -3.52 0.43 0.00 1.34 0.00 0.00 72.50 70.66 2a3s s THR 25 CO -0.00 -0.73 1.83 0.25 -0.54 0.00 0.00 174.62 175.42 2a3s h LEU 26 N -0.63 0.28 -3.37 4.79 6.46 -1.95 1.52 115.31 122.41 2a3s h LEU 26 Ca -0.45 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 2a3s h LEU 26 Cb 1.24 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2a3s h LEU 26 CO 0.63 0.08 0.00 -1.20 -0.62 0.00 0.00 178.44 177.33 2a3s n SER 27 N -4.45 5.39 -0.13 1.25 7.64 -1.26 -4.17 113.62 117.89 2a3s n SER 27 Ca 0.22 -2.82 -0.22 0.00 1.01 0.00 0.00 58.87 57.06 2a3s n SER 27 Cb 0.89 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.67 -0.37 0.38 0.23 0.00 0.52 -3.60 105.19 103.00 2a3s n GLY 28 Ca 0.26 -0.15 0.20 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.37 0.69 0.03 -0.61 -0.00 -1.65 0.47 117.51 116.06 2a3s h ILE 29 Ca -0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.26 2a3s h ILE 29 Cb 1.75 0.74 0.00 0.00 -0.00 0.00 0.00 36.82 39.31 2a3s h ILE 29 CO -0.21 0.00 -0.01 1.88 -0.00 0.00 0.00 178.15 179.80 2a3s h TYR 30 N 0.00 -0.03 -0.20 2.19 0.05 -1.76 -2.55 116.97 114.67 2a3s h TYR 30 Ca 0.23 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.07 2a3s h TYR 30 Cb 0.96 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 2a3s h TYR 30 CO 0.00 -0.02 0.31 0.00 -1.05 0.00 0.00 178.16 177.40 2a3s h ALA 31 N -1.66 1.73 0.05 3.88 0.00 -1.56 0.44 119.26 122.14 2a3s h ALA 31 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a3s h ALA 31 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2a3s h ALA 31 CO 0.01 -0.41 -0.02 1.25 0.00 0.00 0.00 179.25 180.07 2a3s h HIS 32 N 0.00 -0.06 -0.86 0.00 -0.00 -0.15 -3.25 115.15 110.82 2a3s h HIS 32 Ca 0.09 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.60 2a3s h HIS 32 Cb 0.71 0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 28.07 2a3s h HIS 32 CO 0.00 -0.04 0.56 0.97 -0.00 0.00 0.00 177.93 179.42 2a3s h ILE 33 N -0.52 0.85 -0.70 6.26 -0.00 -1.20 -0.10 117.51 122.09 2a3s h ILE 33 Ca -0.01 -0.23 0.09 0.00 -0.00 0.00 0.00 64.86 64.71 2a3s h ILE 33 Cb 0.05 0.11 -0.05 0.00 -0.00 0.00 0.00 36.82 36.94 2a3s h ILE 33 CO 0.01 0.12 0.46 0.71 -0.00 0.00 0.00 178.15 179.46 2a3s h THR 34 N 0.68 0.95 -0.01 2.19 1.35 -1.04 0.49 112.91 117.52 2a3s h THR 34 Ca 0.43 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 2a3s h THR 34 Cb 0.68 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2a3s h THR 34 CO -0.19 0.11 -0.02 1.17 -0.25 0.00 0.00 175.52 176.35 2a3s n LYS 35 N -4.49 1.34 -0.02 4.72 4.81 -0.07 -4.36 118.16 120.09 2a3s n LYS 35 Ca 0.11 -0.57 -0.03 0.00 -0.87 0.00 0.00 58.31 56.95 2a3s n LYS 35 Cb 0.32 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 2a3s n LYS 35 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2a3s n HIS 36 N -0.33 0.00 -2.85 5.64 8.25 0.15 -5.01 115.22 121.07 2a3s n HIS 36 Ca 0.20 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.31 2a3s n HIS 36 Cb 0.27 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.78 3.51 0.03 4.41 2.02 0.12 -4.98 117.35 120.68 2a3s s TYR 37 Ca -0.09 1.64 -0.16 0.00 -0.37 0.00 0.00 57.07 58.09 2a3s s TYR 37 Cb 0.01 -2.84 -0.35 0.00 -0.40 0.00 0.00 41.96 38.38 2a3s s TYR 37 CO 0.14 0.08 1.02 -1.00 -1.57 0.00 0.00 175.55 174.21 2a3s h PRO 38 N 2.61 0.56 0.09 -1.71 0.13 -1.87 -3.36 132.00 128.44 2a3s h PRO 38 Ca -0.48 -0.92 -0.00 0.00 -0.87 0.00 0.00 66.00 63.73 2a3s h PRO 38 Cb 1.19 0.34 0.00 0.00 0.13 0.00 0.00 31.00 32.65 2a3s h PRO 38 CO 0.63 1.44 -0.04 -0.92 -0.23 0.00 0.00 178.00 178.88 2a3s h TYR 39 N 0.17 -0.11 -1.68 1.56 3.20 -1.96 -3.38 116.97 114.77 2a3s h TYR 39 Ca -0.25 -0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.16 2a3s h TYR 39 Cb 2.14 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 40.40 2a3s h TYR 39 CO 0.13 0.22 1.18 0.71 -1.64 0.00 0.00 178.16 178.75 2a3s s TYR 40 N -4.85 1.83 0.00 -3.82 2.02 -1.26 -4.09 117.35 107.18 2a3s s TYR 40 Ca -0.15 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 2a3s s TYR 40 Cb 0.03 -4.19 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2a3s s TYR 40 CO 0.64 -2.12 0.00 -2.13 -1.57 0.00 0.00 175.55 170.36 2a3s n ARG 41 N 9.12 0.00 -0.05 -0.62 0.63 -1.26 -4.24 116.66 120.24 2a3s n ARG 41 Ca 0.23 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.08 2a3s n ARG 41 Cb 0.50 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.39 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2a3s n THR 42 N -0.98 1.33 -1.72 5.15 -2.24 -1.26 -4.96 114.28 109.61 2a3s n THR 42 Ca 0.00 0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 2a3s n THR 42 Cb 0.00 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 66.19 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s n ALA 43 N -4.05 2.79 -0.04 6.98 0.00 -1.26 -4.85 120.51 120.08 2a3s n ALA 43 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2a3s n ALA 43 Cb 0.40 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2a3s n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2a3s n ASP 44 N 3.98 0.03 -4.04 0.00 5.68 -1.26 -4.90 116.55 116.04 2a3s n ASP 44 Ca 0.16 -0.26 -0.43 0.00 -0.50 0.00 0.00 54.79 53.76 2a3s n ASP 44 Cb 0.35 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 2a3s n ASP 44 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2a3s n LYS 45 N -0.38 3.64 0.00 0.11 5.02 -1.26 -3.58 118.16 121.71 2a3s n LYS 45 Ca 0.00 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.56 2a3s n LYS 45 Cb 0.01 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.12 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 2.96 -1.90 0.13 0.72 0.00 -1.26 -4.95 105.19 100.89 2a3s n GLY 46 Ca 0.37 0.63 0.06 0.00 0.00 0.00 0.00 46.02 47.08 2a3s n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2a3s h TRP 47 N 0.00 0.00 -0.09 1.61 5.08 -1.92 -3.17 115.95 117.46 2a3s h TRP 47 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 2a3s h TRP 47 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 2a3s h TRP 47 CO 0.00 0.31 -0.27 0.37 -1.28 0.00 0.00 178.44 177.57 2a3s h GLN 48 N 0.00 -0.27 0.00 0.12 5.75 -1.93 0.15 115.11 118.94 2a3s h GLN 48 Ca -0.05 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 2a3s h GLN 48 Cb 1.29 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.89 2a3s h GLN 48 CO 0.03 -0.18 -0.35 -2.95 -2.65 0.00 0.00 178.83 172.74 2a3s h ASN 49 N -0.28 0.00 0.61 -0.69 7.08 -1.85 -3.25 115.58 117.21 2a3s h ASN 49 Ca 0.02 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.21 2a3s h ASN 49 Cb 0.33 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.58 2a3s h ASN 49 CO -0.23 0.35 -0.29 -1.28 -2.08 0.00 0.00 177.43 173.89 2a3s h SER 50 N 0.00 -0.70 -0.53 6.14 0.87 -1.22 -2.26 113.55 115.85 2a3s h SER 50 Ca -0.00 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2a3s h SER 50 Cb 0.87 0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.94 2a3s h SER 50 CO 0.05 -0.47 -0.37 0.40 -0.53 0.00 0.00 176.83 175.91 2a3s h ILE 51 N -0.86 0.00 -1.01 2.23 5.03 -0.78 2.43 117.51 124.55 2a3s h ILE 51 Ca -0.08 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 64.90 2a3s h ILE 51 Cb 0.65 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.33 2a3s h ILE 51 CO 0.14 0.00 0.62 -0.09 -0.68 0.00 0.00 178.15 178.14 2a3s h ARG 52 N -0.07 0.54 -0.05 2.37 2.43 -1.67 0.58 114.38 118.51 2a3s h ARG 52 Ca 0.09 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 2a3s h ARG 52 Cb 0.29 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2a3s h ARG 52 CO -0.53 0.36 -0.67 1.25 -1.51 0.00 0.00 179.97 178.86 2a3s h HIS 53 N 0.55 0.76 -0.35 2.20 2.76 0.12 -3.24 115.15 117.96 2a3s h HIS 53 Ca 0.61 -0.38 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2a3s h HIS 53 Cb 1.25 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 2a3s h HIS 53 CO -0.00 1.19 0.14 -0.91 -1.30 0.00 0.00 177.93 177.05 2a3s h ASN 54 N 0.12 0.48 0.00 3.26 2.35 0.63 -1.35 115.58 121.08 2a3s h ASN 54 Ca -0.07 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2a3s h ASN 54 Cb 1.34 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2a3s h ASN 54 CO 0.13 0.51 0.21 -0.07 -1.65 0.00 0.00 177.43 176.57 2a3s h LEU 55 N 0.42 0.00 0.10 1.61 3.38 -0.04 0.87 115.31 121.65 2a3s h LEU 55 Ca 0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 2a3s h LEU 55 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2a3s h LEU 55 CO -0.01 0.00 -1.87 0.28 0.09 0.00 0.00 178.44 176.93 2a3s h SER 56 N 0.00 0.32 0.74 -0.43 0.02 -1.28 -3.38 113.55 109.55 2a3s h SER 56 Ca 0.00 -0.69 -0.17 0.00 -0.84 0.00 0.00 61.79 60.09 2a3s h SER 56 Cb 0.42 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2a3s h SER 56 CO 0.00 1.61 -1.37 -0.07 -1.14 0.00 0.00 176.83 175.86 2a3s h LEU 57 N 0.06 0.00 -9.46 5.07 4.07 -0.64 -3.47 115.31 110.94 2a3s h LEU 57 Ca -0.37 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.98 2a3s h LEU 57 Cb 2.03 0.00 0.11 0.00 1.08 0.00 0.00 40.66 43.88 2a3s h LEU 57 CO 0.10 0.61 0.11 0.59 -1.08 0.00 0.00 178.44 178.77 2a3s n ASN 58 N -2.93 1.21 -0.15 -0.43 5.03 0.28 -4.86 115.26 113.42 2a3s n ASN 58 Ca -0.09 1.17 0.12 0.00 0.87 0.00 0.00 54.58 56.65 2a3s n ASN 58 Cb 0.85 -1.28 0.28 0.00 -1.02 0.00 0.00 39.78 38.62 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 0.71 0.48 -0.07 3.52 -4.01 -1.26 -3.96 116.66 112.07 2a3s n ARG 59 Ca 0.10 -0.29 0.03 0.00 -1.04 0.00 0.00 57.85 56.65 2a3s n ARG 59 Cb 0.32 -1.49 0.07 0.00 -3.04 0.00 0.00 32.46 28.31 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -3.04 0.00 0.00 177.63 177.07 2a3s n TYR 60 N -1.00 0.14 -4.53 2.89 0.18 -1.26 -4.96 117.16 108.61 2a3s n TYR 60 Ca 0.09 -0.61 -0.31 0.00 1.88 0.00 0.00 57.90 58.95 2a3s n TYR 60 Cb 0.35 -0.08 -0.11 0.00 -0.38 0.00 0.00 39.34 39.12 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 -1.42 2.69 0.35 -3.48 0.08 -1.25 0.23 117.98 115.18 2a3s s PHE 61 Ca 0.12 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.02 2a3s s PHE 61 Cb 0.09 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 2a3s s PHE 61 CO 0.04 0.32 0.42 0.44 -0.10 0.00 0.00 175.22 176.34 2a3s n ILE 62 N 1.43 0.00 -4.41 0.64 -5.35 0.26 -4.83 119.36 107.11 2a3s n ILE 62 Ca -0.15 -2.08 -0.25 0.00 -0.27 0.00 0.00 62.75 60.00 2a3s n ILE 62 Cb 0.52 1.17 -0.10 0.00 -1.74 0.00 0.00 39.64 39.49 2a3s n ILE 62 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2a3s s LYS 63 N -3.03 1.77 0.69 6.28 2.36 -1.26 -2.07 119.74 124.48 2a3s s LYS 63 Ca 0.34 -1.58 -0.11 0.00 -2.55 0.00 0.00 55.97 52.07 2a3s s LYS 63 Cb 0.00 -1.90 0.01 0.00 -1.05 0.00 0.00 37.83 34.89 2a3s s LYS 63 CO 0.24 0.37 1.06 0.14 1.55 0.00 0.00 175.35 178.71 2a3s s VAL 64 N -2.14 4.03 0.80 4.02 -7.23 -1.12 -4.96 120.40 113.80 2a3s s VAL 64 Ca 0.27 0.66 -0.14 0.00 -1.81 0.00 0.00 61.98 60.96 2a3s s VAL 64 Cb -0.07 -3.42 0.19 0.00 0.56 0.00 0.00 36.38 33.64 2a3s s VAL 64 CO 0.14 -0.86 0.98 -0.81 -0.31 0.00 0.00 175.10 174.24 2a3s n PRO 65 N -3.12 -1.41 -3.75 4.82 -0.04 -1.26 -4.91 135.00 125.34 2a3s n PRO 65 Ca 0.07 -1.53 -0.29 0.00 -0.04 0.00 0.00 63.50 61.72 2a3s n PRO 65 Cb 0.54 -1.11 -0.13 0.00 -0.04 0.00 0.00 33.50 32.76 2a3s n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2a3s s ARG 66 N -5.16 1.56 -0.02 0.54 0.52 -1.26 -4.87 118.95 110.25 2a3s s ARG 66 Ca 0.57 -2.34 0.03 0.00 -0.52 0.00 0.00 55.73 53.47 2a3s s ARG 66 Cb -0.02 -2.59 0.05 0.00 0.52 0.00 0.00 34.95 32.91 2a3s s ARG 66 CO 0.41 -1.20 0.98 0.43 0.02 0.00 0.00 175.30 175.95 2a3s n SER 67 N 3.14 1.84 -4.85 0.23 7.64 -1.26 -5.04 113.62 115.33 2a3s n SER 67 Ca 0.12 -2.10 -0.21 0.00 1.01 0.00 0.00 58.87 57.69 2a3s n SER 67 Cb 0.36 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 2a3s n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3s s GLN 68 N -1.21 2.56 -0.10 1.43 0.00 -1.26 -5.07 119.66 116.01 2a3s s GLN 68 Ca 0.05 -1.48 -0.08 0.00 -0.00 0.00 0.00 55.36 53.85 2a3s s GLN 68 Cb 0.05 -2.36 -0.05 0.00 0.00 0.00 0.00 33.01 30.65 2a3s s GLN 68 CO 0.01 -0.07 -0.18 -1.91 0.00 0.00 0.00 175.29 173.14 2a3s n GLU 69 N -1.43 0.29 -2.74 9.60 0.00 -1.26 -4.95 120.64 120.14 2a3s n GLU 69 Ca 0.01 0.12 -0.08 0.00 0.00 0.00 0.00 57.16 57.21 2a3s n GLU 69 Cb 0.61 -0.99 0.06 0.00 0.00 0.00 0.00 31.44 31.13 2a3s n GLU 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2a3s n GLU 70 N -3.78 0.85 -1.80 5.31 -0.58 -1.26 -5.15 120.64 114.23 2a3s n GLU 70 Ca -0.19 -1.78 -0.30 0.00 -0.42 0.00 0.00 57.16 54.47 2a3s n GLU 70 Cb 0.51 -1.30 0.22 0.00 -0.57 0.00 0.00 31.44 30.30 2a3s n GLU 70 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2a3s s PRO 71 N 0.54 0.02 0.27 3.49 0.04 -1.26 -4.91 135.00 133.20 2a3s s PRO 71 Ca 0.28 -0.48 0.21 0.00 0.04 0.00 0.00 61.00 61.06 2a3s s PRO 71 Cb 0.25 -1.78 1.03 0.00 0.04 0.00 0.00 34.50 34.04 2a3s s PRO 71 CO -0.18 -2.82 1.65 0.41 0.04 0.00 0.00 177.00 176.09 2a3s n GLY 72 N -3.39 -1.02 0.00 0.56 0.00 -1.26 -4.72 105.19 95.36 2a3s n GLY 72 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2a3s n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3s n LYS 73 N -2.20 2.80 0.00 1.61 5.02 -1.26 -5.14 118.16 118.99 2a3s n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2a3s n LYS 73 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 2a3s n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3s n GLY 74 N 3.50 0.14 3.91 0.72 0.00 -1.26 -4.94 105.19 107.27 2a3s n GLY 74 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 2a3s n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a3s s SER 75 N 1.96 3.99 -0.30 1.61 1.04 -1.26 -5.07 113.70 115.68 2a3s s SER 75 Ca 0.00 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 56.85 2a3s s SER 75 Cb 0.00 -0.91 0.17 0.00 0.10 0.00 0.00 66.02 65.38 2a3s s SER 75 CO 0.00 -2.21 1.10 0.12 0.98 0.00 0.00 173.24 173.22 2a3s s PHE 76 N -3.69 -0.41 0.52 5.02 2.19 -1.26 -4.82 117.98 115.52 2a3s s PHE 76 Ca 0.66 0.76 -0.14 0.00 0.33 0.00 0.00 56.93 58.54 2a3s s PHE 76 Cb -0.08 0.25 -0.07 0.00 -1.31 0.00 0.00 43.02 41.80 2a3s s PHE 76 CO 0.50 -0.20 0.95 -1.58 1.83 0.00 0.00 175.22 176.73 2a3s s TRP 77 N 1.77 3.49 0.23 10.12 0.52 0.75 -2.81 118.94 133.01 2a3s s TRP 77 Ca -0.05 1.35 -0.22 0.00 0.02 0.00 0.00 56.10 57.20 2a3s s TRP 77 Cb -0.04 -2.71 0.04 0.00 -1.15 0.00 0.00 33.47 29.62 2a3s s TRP 77 CO -0.15 -0.38 0.70 -0.98 0.02 0.00 0.00 176.95 176.15 2a3s s ARG 78 N -4.26 1.57 0.21 4.98 1.70 -0.88 0.24 118.95 122.51 2a3s s ARG 78 Ca 0.57 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 55.11 2a3s s ARG 78 Cb -0.10 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 2a3s s ARG 78 CO 0.36 -0.71 0.06 0.96 -1.08 0.00 0.00 175.30 174.89 2a3s s ILE 79 N -3.81 3.95 0.57 4.99 -4.36 -1.08 -0.57 121.20 120.88 2a3s s ILE 79 Ca 0.08 -1.46 -0.21 0.00 -0.26 0.00 0.00 60.65 58.80 2a3s s ILE 79 Cb -0.04 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 2a3s s ILE 79 CO -0.00 -0.21 1.33 -0.67 0.24 0.00 0.00 174.94 175.63 2a3s n ASP 80 N -0.54 2.50 0.09 4.36 2.03 0.63 -4.79 116.55 120.84 2a3s n ASP 80 Ca -0.08 0.94 -0.19 0.00 0.52 0.00 0.00 54.79 55.98 2a3s n ASP 80 Cb 0.56 -1.57 -0.11 0.00 -0.72 0.00 0.00 41.12 39.29 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 1.23 0.49 -0.01 -0.67 0.13 -1.98 -2.74 132.00 128.44 2a3s h PRO 81 Ca -0.51 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 63.96 2a3s h PRO 81 Cb 1.31 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.66 2a3s h PRO 81 CO 0.56 1.28 -0.05 0.00 -0.23 0.00 0.00 178.00 179.56 2a3s n ALA 82 N -2.62 2.68 0.56 -0.56 0.00 -1.26 -3.49 120.51 115.82 2a3s n ALA 82 Ca -0.11 -0.42 0.06 0.00 0.00 0.00 0.00 53.44 52.97 2a3s n ALA 82 Cb 0.96 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.09 0.95 0.43 0.00 7.64 -1.23 -4.62 113.62 116.71 2a3s n SER 83 Ca 0.18 -0.97 -0.20 0.00 1.01 0.00 0.00 58.87 58.89 2a3s n SER 83 Cb 0.34 0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 64.19 2a3s n SER 83 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2a3s h GLU 84 N 0.65 -1.14 -0.22 1.43 5.08 -1.52 0.50 114.58 119.37 2a3s h GLU 84 Ca 0.00 0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2a3s h GLU 84 Cb 0.35 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2a3s h GLU 84 CO 0.00 -0.76 0.58 0.00 -1.00 0.00 0.00 179.01 177.83 2a3s h ALA 85 N -1.08 1.84 0.00 3.43 0.00 -1.82 0.06 119.26 121.69 2a3s h ALA 85 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2a3s h ALA 85 Cb 0.94 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2a3s h ALA 85 CO 0.11 -0.69 -0.51 -0.22 0.00 0.00 0.00 179.25 177.94 2a3s h LYS 86 N 0.00 0.00 0.35 0.00 3.64 -1.31 -3.34 116.57 115.91 2a3s h LYS 86 Ca 0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2a3s h LYS 86 Cb 1.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2a3s h LYS 86 CO -0.00 0.11 -0.45 1.37 -2.27 0.00 0.00 179.45 178.21 2a3s h LEU 87 N -1.00 -1.26 -1.84 5.20 -0.00 0.75 -0.96 115.31 116.19 2a3s h LEU 87 Ca -0.03 0.11 0.52 0.00 -0.00 0.00 0.00 57.88 58.48 2a3s h LEU 87 Cb 0.53 0.44 -0.09 0.00 -0.00 0.00 0.00 40.66 41.53 2a3s h LEU 87 CO -0.02 -0.58 1.22 -0.37 -0.00 0.00 0.00 178.44 178.69 2a3s h VAL 88 N -0.85 0.06 -0.63 0.15 -1.51 -1.23 0.50 116.25 112.74 2a3s h VAL 88 Ca -0.03 -0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.54 2a3s h VAL 88 Cb 0.77 0.05 -0.08 0.00 -2.13 0.00 0.00 31.29 29.90 2a3s h VAL 88 CO -0.12 0.00 0.22 -0.33 -1.23 0.00 0.00 177.57 176.11 2a3s h GLU 89 N 0.01 0.37 0.00 5.19 4.39 -1.29 0.41 114.58 123.66 2a3s h GLU 89 Ca 0.88 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.56 2a3s h GLU 89 Cb 3.35 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 31.92 2a3s h GLU 89 CO -0.13 0.24 -0.35 1.96 -1.16 0.00 0.00 179.01 179.58 2a3s h GLN 90 N 0.38 0.00 0.00 2.33 1.08 -0.15 -3.24 115.11 115.51 2a3s h GLN 90 Ca 0.33 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.46 2a3s h GLN 90 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2a3s h GLN 90 CO -0.35 0.00 -0.34 0.00 -0.95 0.00 0.00 178.83 177.19 2a3s h ALA 91 N 2.16 1.22 0.00 3.87 0.00 0.64 -3.34 119.26 123.81 2a3s h ALA 91 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2a3s h ALA 91 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2a3s h ALA 91 CO 0.00 0.43 -0.03 0.74 0.00 0.00 0.00 179.25 180.39 2a3s h PHE 92 N 0.00 0.00 -3.09 0.00 -1.00 -0.95 -3.44 116.94 108.46 2a3s h PHE 92 Ca -0.00 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.15 2a3s h PHE 92 Cb 0.70 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.17 2a3s h PHE 92 CO 0.00 0.00 -0.61 -0.98 -1.61 0.00 0.00 178.31 175.11 2a3s s ARG 93 N -1.16 2.78 0.00 1.51 1.70 -1.24 -5.03 118.95 117.51 2a3s s ARG 93 Ca -0.01 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2a3s s ARG 93 Cb 0.00 -2.64 0.00 0.00 -0.57 0.00 0.00 34.95 31.74 2a3s s ARG 93 CO 0.01 0.53 0.00 1.17 -1.08 0.00 0.00 175.30 175.94 2a3s n LYS 94 N 0.25 0.00 -3.61 3.89 0.00 -1.26 -4.47 118.16 112.97 2a3s n LYS 94 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.09 2a3s n LYS 94 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 2a3s n LYS 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2a3s s ARG 95 N -0.81 1.01 -0.10 1.64 1.70 -1.26 -5.15 118.95 115.99 2a3s s ARG 95 Ca 0.00 -0.37 0.03 0.00 -0.47 0.00 0.00 55.73 54.92 2a3s s ARG 95 Cb 0.00 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2a3s s ARG 95 CO 0.00 -0.37 -0.19 -0.98 -1.08 0.00 0.00 175.30 172.68 2a3s s ARG 96 N -2.76 2.99 0.52 3.89 1.04 -1.26 -5.03 118.95 118.35 2a3s s ARG 96 Ca -0.04 -0.80 0.00 0.00 -1.04 0.00 0.00 55.73 53.86 2a3s s ARG 96 Cb -0.00 -2.40 -0.00 0.00 -2.04 0.00 0.00 34.95 30.51 2a3s s ARG 96 CO -0.04 0.29 0.00 -0.65 -0.04 0.00 0.00 175.30 174.86 2a3s s GLN 97 N 0.11 2.22 0.00 3.89 -0.21 -1.26 -5.16 119.66 119.25 2a3s s GLN 97 Ca -0.09 -2.44 0.00 0.00 0.02 0.00 0.00 55.36 52.85 2a3s s GLN 97 Cb -0.15 -1.49 0.00 0.00 1.00 0.00 0.00 33.01 32.37 2a3s s GLN 97 CO 0.06 -0.41 0.00 -2.13 -2.12 0.00 0.00 175.29 170.69 2a3s n ARG 98 N -1.30 2.95 0.00 2.91 3.00 -1.26 -5.10 116.66 117.86 2a3s n ARG 98 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 2a3s n ARG 98 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.13 2a3s n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2a3s n GLY 99 N 5.00 0.67 2.03 5.14 0.00 -1.26 -5.05 105.19 111.72 2a3s n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a3s n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a3s n VAL 100 N -0.62 0.00 -1.19 1.61 0.31 -1.26 -5.21 118.33 111.97 2a3s n VAL 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2a3s n VAL 100 Cb 0.00 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2a3s n VAL 100 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31