#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s n SER 2 N 0.00 1.98 -3.76 4.31 2.88 -1.26 -5.03 113.62 112.75 2a3s n SER 2 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2a3s n SER 2 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2a3s n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2a3s s LYS 3 N 3.35 0.81 -1.14 -1.46 -0.14 -1.26 -5.05 119.74 114.85 2a3s s LYS 3 Ca 0.00 -0.82 -0.06 0.00 -1.36 0.00 0.00 55.97 53.74 2a3s s LYS 3 Cb 0.00 -2.10 0.27 0.00 -1.68 0.00 0.00 37.83 34.31 2a3s s LYS 3 CO 0.00 -0.81 1.62 -0.35 -0.76 0.00 0.00 175.35 175.05 2a3s n PRO 4 N 4.90 4.27 0.11 -1.68 -0.04 -1.26 -4.80 135.00 136.50 2a3s n PRO 4 Ca -0.06 -4.25 -0.03 0.00 -0.04 0.00 0.00 63.50 59.12 2a3s n PRO 4 Cb 0.44 -2.63 0.12 0.00 -0.04 0.00 0.00 33.50 31.39 2a3s n PRO 4 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2a3s h PRO 5 N 5.48 0.10 -5.24 0.54 0.13 -2.02 -3.43 132.00 127.56 2a3s h PRO 5 Ca 0.27 -0.07 -0.64 0.00 -0.87 0.00 0.00 66.00 64.68 2a3s h PRO 5 Cb 0.61 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 31.42 2a3s h PRO 5 CO 1.42 0.72 -0.87 0.71 -0.23 0.00 0.00 178.00 179.76 2a3s s TYR 6 N -3.57 2.30 0.77 1.56 2.02 -1.26 -4.51 117.35 114.66 2a3s s TYR 6 Ca -0.02 -0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 55.62 2a3s s TYR 6 Cb 0.12 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 2a3s s TYR 6 CO 0.78 -0.37 0.33 0.43 -1.57 0.00 0.00 175.55 175.16 2a3s n SER 7 N 3.52 -1.99 0.00 2.29 7.64 -1.26 -4.51 113.62 119.30 2a3s n SER 7 Ca -0.20 0.51 0.07 0.00 1.01 0.00 0.00 58.87 60.27 2a3s n SER 7 Cb 0.53 -1.14 0.42 0.00 -1.01 0.00 0.00 64.21 63.00 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 -2.54 0.00 -0.07 1.43 4.01 -1.26 0.21 117.16 118.94 2a3s n TYR 8 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.74 2a3s n TYR 8 Cb 0.51 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.73 1.67 -0.02 -0.72 0.00 -1.26 -4.19 120.51 115.26 2a3s n ALA 9 Ca 0.11 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 2a3s n ALA 9 Cb 0.05 0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.71 0.66 -0.11 0.00 10.64 -1.17 -3.46 117.38 121.23 2a3s n GLN 10 Ca -0.24 0.28 0.11 0.00 -1.83 0.00 0.00 57.00 55.31 2a3s n GLN 10 Cb 0.86 -1.76 0.47 0.00 -0.86 0.00 0.00 30.24 28.94 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 0.44 -0.14 2.61 5.85 -0.47 0.34 115.31 123.95 2a3s h LEU 11 Ca -0.33 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 2a3s h LEU 11 Cb 2.03 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.97 2a3s h LEU 11 CO 0.08 0.27 -0.12 0.40 -0.34 0.00 0.00 178.44 178.72 2a3s h ILE 12 N 0.49 1.34 -0.19 4.05 1.08 -1.73 -2.68 117.51 119.87 2a3s h ILE 12 Ca 0.29 -1.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.55 2a3s h ILE 12 Cb 0.48 1.88 -0.07 0.00 -3.07 0.00 0.00 36.82 36.04 2a3s h ILE 12 CO -0.09 0.37 -0.30 0.58 -0.69 0.00 0.00 178.15 178.02 2a3s h VAL 13 N -0.05 0.31 -0.19 1.67 2.07 -1.01 0.90 116.25 119.96 2a3s h VAL 13 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2a3s h VAL 13 Cb 0.64 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2a3s h VAL 13 CO 0.03 0.00 0.19 0.06 0.02 0.00 0.00 177.57 177.87 2a3s h GLN 14 N -0.34 0.00 0.24 1.57 3.07 -1.28 2.43 115.11 120.80 2a3s h GLN 14 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.84 2a3s h GLN 14 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2a3s h GLN 14 CO -0.38 0.00 -0.12 0.00 0.09 0.00 0.00 178.83 178.42 2a3s h ALA 15 N 1.80 -0.60 -0.04 0.06 0.00 0.11 -3.03 119.26 117.56 2a3s h ALA 15 Ca 0.09 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2a3s h ALA 15 Cb 0.46 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2a3s h ALA 15 CO -0.00 -0.58 -0.62 -0.84 0.00 0.00 0.00 179.25 177.22 2a3s h ILE 16 N -0.55 1.41 0.00 0.00 -0.00 -0.55 -2.19 117.51 115.64 2a3s h ILE 16 Ca -0.03 -2.05 0.00 0.00 -0.00 0.00 0.00 64.86 62.77 2a3s h ILE 16 Cb 0.25 2.08 0.00 0.00 -0.00 0.00 0.00 36.82 39.14 2a3s h ILE 16 CO 0.05 0.60 0.19 0.28 -0.00 0.00 0.00 178.15 179.27 2a3s h SER 17 N 0.10 0.00 0.00 2.16 0.02 0.40 0.52 113.55 116.76 2a3s h SER 17 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2a3s h SER 17 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2a3s h SER 17 CO 0.09 0.00 -0.65 -1.20 -1.14 0.00 0.00 176.83 173.93 2a3s n SER 18 N -2.87 0.67 -4.47 3.07 7.64 -0.94 -4.99 113.62 111.73 2a3s n SER 18 Ca -0.02 -0.76 -0.28 0.00 1.01 0.00 0.00 58.87 58.82 2a3s n SER 18 Cb 0.24 1.03 0.26 0.00 -1.01 0.00 0.00 64.21 64.74 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a3s s ALA 19 N -2.23 -0.64 0.00 -0.43 0.00 0.18 -4.91 121.76 113.73 2a3s s ALA 19 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2a3s s ALA 19 Cb 0.09 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2a3s s ALA 19 CO 0.52 -3.97 0.64 0.94 0.00 0.00 0.00 175.76 173.89 2a3s n GLN 20 N -5.01 0.00 -0.00 0.00 7.27 -1.26 -4.34 117.38 114.03 2a3s n GLN 20 Ca 0.03 0.54 -0.00 0.00 0.07 0.00 0.00 57.00 57.63 2a3s n GLN 20 Cb 0.54 -1.14 -0.00 0.00 2.41 0.00 0.00 30.24 32.05 2a3s n GLN 20 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2a3s n ASP 21 N -1.42 0.13 0.00 1.69 8.00 -1.26 -4.98 116.55 118.71 2a3s n ASP 21 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2a3s n ASP 21 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a3s n ARG 22 N -2.43 0.00 -3.95 -1.24 0.00 -1.26 -4.91 116.66 102.88 2a3s n ARG 22 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 2a3s n ARG 22 Cb 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.37 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 0.28 0.08 2.89 -2.07 -1.26 -2.77 119.66 116.80 2a3s s GLN 23 Ca 0.00 -0.46 -0.07 0.00 -1.82 0.00 0.00 55.36 53.00 2a3s s GLN 23 Cb 0.00 0.10 -0.01 0.00 -1.09 0.00 0.00 33.01 32.01 2a3s s GLN 23 CO 0.00 -0.05 0.15 -0.51 -1.32 0.00 0.00 175.29 173.56 2a3s s LEU 24 N -1.17 1.63 0.43 2.60 1.43 0.47 -4.73 118.68 119.33 2a3s s LEU 24 Ca -0.13 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.34 2a3s s LEU 24 Cb -0.08 0.87 0.01 0.00 0.03 0.00 0.00 46.19 47.03 2a3s s LEU 24 CO -0.01 -0.70 0.57 0.42 0.23 0.00 0.00 176.35 176.86 2a3s s THR 25 N -3.82 2.90 0.27 5.49 -4.23 -1.26 -0.60 115.64 114.38 2a3s s THR 25 Ca 0.05 -1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2a3s s THR 25 Cb 0.05 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 71.21 2a3s s THR 25 CO -0.11 0.00 1.73 -0.07 -0.54 0.00 0.00 174.62 175.63 2a3s h LEU 26 N 0.64 0.38 -1.84 4.79 3.38 -1.94 1.95 115.31 122.67 2a3s h LEU 26 Ca -0.39 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2a3s h LEU 26 Cb 1.28 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2a3s h LEU 26 CO 0.46 0.11 0.00 -0.24 0.09 0.00 0.00 178.44 178.86 2a3s n SER 27 N -4.97 2.70 -0.13 -0.43 2.88 -1.26 -3.70 113.62 108.71 2a3s n SER 27 Ca 0.18 -2.26 -0.28 0.00 -1.33 0.00 0.00 58.87 55.18 2a3s n SER 27 Cb 0.50 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a3s n GLY 28 N 0.62 -0.45 0.34 0.46 0.00 0.65 -1.89 105.19 104.92 2a3s n GLY 28 Ca 0.13 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.98 0.61 0.00 -0.61 -0.00 -1.28 1.47 117.51 116.72 2a3s h ILE 29 Ca -0.63 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.23 2a3s h ILE 29 Cb 1.55 0.81 0.00 0.00 -0.00 0.00 0.00 36.82 39.18 2a3s h ILE 29 CO -0.38 0.00 -0.27 1.88 -0.00 0.00 0.00 178.15 179.38 2a3s h TYR 30 N 0.00 0.00 -0.15 2.19 0.05 -1.72 -2.99 116.97 114.35 2a3s h TYR 30 Ca 0.14 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.96 2a3s h TYR 30 Cb 0.64 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 2a3s h TYR 30 CO 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 178.16 177.29 2a3s h ALA 31 N -1.04 1.73 0.09 3.88 0.00 -0.94 0.20 119.26 123.17 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 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2a3s h ALA 31 CO 0.00 -0.26 -0.04 1.25 0.00 0.00 0.00 179.25 180.20 2a3s h HIS 32 N 0.00 -0.12 -0.76 0.00 -0.00 0.19 -3.17 115.15 111.30 2a3s h HIS 32 Ca 0.07 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.58 2a3s h HIS 32 Cb 0.43 0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.83 2a3s h HIS 32 CO 0.00 -0.07 0.51 0.97 -0.00 0.00 0.00 177.93 179.33 2a3s h ILE 33 N -0.59 0.82 -0.51 6.26 -0.00 -1.35 0.13 117.51 122.26 2a3s h ILE 33 Ca -0.01 -0.16 0.07 0.00 -0.00 0.00 0.00 64.86 64.76 2a3s h ILE 33 Cb 0.10 0.30 -0.03 0.00 -0.00 0.00 0.00 36.82 37.19 2a3s h ILE 33 CO 0.02 0.09 0.34 0.71 -0.00 0.00 0.00 178.15 179.31 2a3s h THR 34 N 0.47 0.94 0.00 2.19 1.35 -0.70 0.17 112.91 117.33 2a3s h THR 34 Ca 0.37 -0.13 -0.13 0.00 -0.55 0.00 0.00 66.41 65.97 2a3s h THR 34 Cb 0.77 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 2a3s h THR 34 CO -0.13 0.07 -0.61 0.50 -0.25 0.00 0.00 175.52 175.11 2a3s h LYS 35 N 0.38 0.00 0.00 4.72 3.64 -0.71 -3.38 116.57 121.22 2a3s h LYS 35 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2a3s h LYS 35 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2a3s h LYS 35 CO -0.06 0.61 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 2a3s n HIS 36 N -3.82 0.00 -2.81 1.91 8.25 0.38 -4.79 115.22 114.34 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 0.61 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.28 3.36 -1.06 4.41 2.02 -0.02 -4.91 117.35 120.87 2a3s s TYR 37 Ca 0.00 1.29 0.25 0.00 -0.37 0.00 0.00 57.07 58.24 2a3s s TYR 37 Cb 0.00 -3.11 1.12 0.00 -0.40 0.00 0.00 41.96 39.56 2a3s s TYR 37 CO 0.00 -0.37 1.82 -0.35 -1.57 0.00 0.00 175.55 175.08 2a3s n PRO 38 N 5.84 0.05 0.09 -1.71 -0.04 -1.26 -3.36 135.00 134.61 2a3s n PRO 38 Ca 0.07 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 2a3s n PRO 38 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 2a3s n PRO 38 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2a3s h TYR 39 N 0.00 0.32 -0.05 0.54 5.03 -1.90 -3.35 116.97 117.56 2a3s h TYR 39 Ca 0.00 -0.24 -0.67 0.00 2.58 0.00 0.00 58.73 60.40 2a3s h TYR 39 Cb 0.41 -0.01 0.02 0.00 1.55 0.00 0.00 36.73 38.70 2a3s h TYR 39 CO 0.00 1.19 3.79 0.66 -1.32 0.00 0.00 178.16 182.48 2a3s n TYR 40 N -3.47 2.46 0.06 -3.82 4.02 -1.21 -4.01 117.16 111.19 2a3s n TYR 40 Ca -0.06 -3.09 0.00 0.00 -0.01 0.00 0.00 57.90 54.74 2a3s n TYR 40 Cb 1.00 -2.47 0.00 0.00 -0.02 0.00 0.00 39.34 37.84 2a3s n TYR 40 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2a3s n ARG 41 N 3.57 0.00 0.03 -0.72 0.00 -1.26 -4.46 116.66 113.82 2a3s n ARG 41 Ca 0.78 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.52 2a3s n ARG 41 Cb 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 32.46 32.70 2a3s n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a3s h THR 42 N 0.00 1.35 -3.42 5.15 1.03 -1.83 -3.40 112.91 111.79 2a3s h THR 42 Ca 0.00 -2.02 -0.71 0.00 -0.01 0.00 0.00 66.41 63.67 2a3s h THR 42 Cb 0.00 2.00 -0.20 0.00 -1.07 0.00 0.00 68.15 68.87 2a3s h THR 42 CO 0.00 0.62 -0.26 0.00 -0.01 0.00 0.00 175.52 175.87 2a3s s ALA 43 N -3.74 3.47 -0.08 0.00 0.00 -1.26 -4.88 121.76 115.28 2a3s s ALA 43 Ca -0.07 -1.77 0.18 0.00 0.00 0.00 0.00 51.96 50.29 2a3s s ALA 43 Cb 0.10 -3.06 0.36 0.00 0.00 0.00 0.00 23.12 20.53 2a3s s ALA 43 CO 0.85 -1.66 1.16 -0.40 0.00 0.00 0.00 175.76 175.72 2a3s n ASP 44 N 5.46 1.22 -3.65 0.00 5.75 -1.26 -4.71 116.55 119.35 2a3s n ASP 44 Ca -0.10 -2.70 -0.41 0.00 -0.01 0.00 0.00 54.79 51.57 2a3s n ASP 44 Cb 0.46 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2a3s n ASP 44 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2a3s n LYS 45 N -0.23 4.27 0.00 0.11 0.00 -1.26 -3.97 118.16 117.07 2a3s n LYS 45 Ca 0.10 -3.58 0.00 0.00 0.00 0.00 0.00 58.31 54.83 2a3s n LYS 45 Cb 0.91 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 33.21 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 2.02 -2.35 0.34 3.14 0.00 -1.26 -4.93 105.19 102.14 2a3s n GLY 46 Ca 0.52 0.83 0.21 0.00 0.00 0.00 0.00 46.02 47.58 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 0.01 1.61 5.08 -1.95 -2.62 115.95 118.08 2a3s h TRP 47 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2a3s h TRP 47 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2a3s h TRP 47 CO 0.00 0.00 -0.04 0.37 -1.28 0.00 0.00 178.44 177.49 2a3s h GLN 48 N 0.00 -0.06 0.00 0.12 5.75 -1.92 0.51 115.11 119.51 2a3s h GLN 48 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2a3s h GLN 48 Cb 0.13 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2a3s h GLN 48 CO -0.00 -0.04 0.00 -2.95 -2.65 0.00 0.00 178.83 173.19 2a3s h ASN 49 N -0.06 0.00 -0.01 -0.69 7.08 -1.83 -3.01 115.58 117.06 2a3s h ASN 49 Ca -0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2a3s h ASN 49 Cb 0.06 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.30 2a3s h ASN 49 CO -0.02 0.00 -0.00 -1.28 -2.08 0.00 0.00 177.43 174.05 2a3s h SER 50 N 0.00 0.02 0.52 6.14 0.87 -0.89 -1.93 113.55 118.27 2a3s h SER 50 Ca 0.00 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2a3s h SER 50 Cb 0.45 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2a3s h SER 50 CO 0.00 0.41 -0.37 0.40 -0.53 0.00 0.00 176.83 176.74 2a3s h ILE 51 N -0.37 0.24 -0.87 2.23 5.03 0.11 2.20 117.51 126.08 2a3s h ILE 51 Ca 0.00 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.95 2a3s h ILE 51 Cb 0.40 0.24 -0.12 0.00 -3.03 0.00 0.00 36.82 34.31 2a3s h ILE 51 CO 0.00 0.00 0.37 -0.09 -0.68 0.00 0.00 178.15 177.75 2a3s h ARG 52 N -0.87 0.38 -0.03 2.37 2.43 -1.59 0.74 114.38 117.82 2a3s h ARG 52 Ca -0.06 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 2a3s h ARG 52 Cb 0.73 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2a3s h ARG 52 CO 0.02 0.25 -0.50 0.45 -1.51 0.00 0.00 179.97 178.68 2a3s h HIS 53 N 0.40 0.56 -0.46 2.20 3.86 -0.58 -3.24 115.15 117.89 2a3s h HIS 53 Ca 0.54 -0.29 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2a3s h HIS 53 Cb 0.99 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 2a3s h HIS 53 CO -0.15 1.08 0.27 -0.91 0.86 0.00 0.00 177.93 179.08 2a3s h ASN 54 N -0.12 0.44 -0.36 2.45 2.35 0.57 -0.06 115.58 120.84 2a3s h ASN 54 Ca -0.06 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2a3s h ASN 54 Cb 1.20 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2a3s h ASN 54 CO 0.10 0.31 0.33 -0.07 -1.65 0.00 0.00 177.43 176.45 2a3s h LEU 55 N 0.55 0.00 0.02 1.61 3.38 0.33 1.76 115.31 122.95 2a3s h LEU 55 Ca 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 2a3s h LEU 55 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2a3s h LEU 55 CO -0.08 0.00 -0.91 -1.28 0.09 0.00 0.00 178.44 176.25 2a3s h SER 56 N 0.00 0.06 -0.18 -0.43 0.87 -1.21 -3.37 113.55 109.28 2a3s h SER 56 Ca 0.17 -0.71 -0.16 0.00 -1.23 0.00 0.00 61.79 59.87 2a3s h SER 56 Cb 0.82 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2a3s h SER 56 CO -0.00 1.37 -0.46 -0.07 -0.53 0.00 0.00 176.83 177.13 2a3s h LEU 57 N -0.89 0.81 -9.54 2.23 4.07 -0.44 -3.44 115.31 108.10 2a3s h LEU 57 Ca -0.24 -0.40 -0.59 0.00 0.08 0.00 0.00 57.88 56.74 2a3s h LEU 57 Cb 1.29 -0.23 0.14 0.00 1.08 0.00 0.00 40.66 42.94 2a3s h LEU 57 CO -0.11 1.14 -0.07 0.59 -1.08 0.00 0.00 178.44 178.92 2a3s n ASN 58 N -4.02 0.35 -0.01 -0.43 5.03 0.59 -4.90 115.26 111.88 2a3s n ASN 58 Ca -0.03 0.95 -0.07 0.00 0.87 0.00 0.00 54.58 56.31 2a3s n ASN 58 Cb 0.57 -1.26 -0.13 0.00 -1.02 0.00 0.00 39.78 37.94 2a3s n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2a3s n ARG 59 N 0.18 0.63 0.11 3.52 1.74 -1.26 -4.16 116.66 117.41 2a3s n ARG 59 Ca 0.11 0.27 0.06 0.00 -0.77 0.00 0.00 57.85 57.53 2a3s n ARG 59 Cb 0.40 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2a3s n ARG 59 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 2a3s h TYR 60 N 0.00 0.00 -3.60 -1.55 -0.00 -1.94 -3.44 116.97 106.44 2a3s h TYR 60 Ca -0.27 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 57.86 2a3s h TYR 60 Cb 1.93 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 38.55 2a3s h TYR 60 CO 0.00 0.27 0.52 -0.06 -0.00 0.00 0.00 178.16 178.88 2a3s s PHE 61 N -3.13 3.00 0.55 0.10 0.08 -1.26 0.13 117.98 117.45 2a3s s PHE 61 Ca 0.01 0.46 0.08 0.00 0.12 0.00 0.00 56.93 57.60 2a3s s PHE 61 Cb 0.08 -3.76 0.06 0.00 -0.57 0.00 0.00 43.02 38.84 2a3s s PHE 61 CO 0.77 -0.96 0.62 0.96 -0.10 0.00 0.00 175.22 176.51 2a3s s ILE 62 N 3.51 2.01 0.10 0.64 -5.25 0.38 -4.69 121.20 117.90 2a3s s ILE 62 Ca 0.35 -1.20 -0.08 0.00 -0.99 0.00 0.00 60.65 58.73 2a3s s ILE 62 Cb -0.11 -2.21 -0.01 0.00 2.95 0.00 0.00 42.46 43.08 2a3s s ILE 62 CO 0.22 0.00 0.19 -1.59 -1.79 0.00 0.00 174.94 171.98 2a3s s LYS 63 N -4.49 0.89 0.02 0.37 -2.85 -1.26 -1.97 119.74 110.45 2a3s s LYS 63 Ca 0.51 -1.02 0.02 0.00 -1.00 0.00 0.00 55.97 54.48 2a3s s LYS 63 Cb -0.04 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 2a3s s LYS 63 CO 0.32 -0.29 -0.07 0.14 0.10 0.00 0.00 175.35 175.55 2a3s s VAL 64 N -3.89 0.50 0.00 1.79 -7.23 -1.06 -5.01 120.40 105.51 2a3s s VAL 64 Ca 0.08 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2a3s s VAL 64 Cb 0.05 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.49 2a3s s VAL 64 CO -0.09 -0.11 0.00 -0.81 -0.31 0.00 0.00 175.10 173.79 2a3s n PRO 65 N 2.25 0.77 -2.64 4.82 -0.04 -1.26 -2.98 135.00 135.90 2a3s n PRO 65 Ca -0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2a3s n PRO 65 Cb 0.56 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.06 2a3s n PRO 65 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2a3s s ARG 66 N -0.59 2.68 0.00 0.54 1.70 -1.24 -4.61 118.95 117.43 2a3s s ARG 66 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 2a3s s ARG 66 Cb 0.00 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 2a3s s ARG 66 CO 0.00 -0.66 0.82 0.43 -1.08 0.00 0.00 175.30 174.81 2a3s n SER 67 N -2.38 1.31 -4.48 -2.89 7.64 -1.26 -5.04 113.62 106.52 2a3s n SER 67 Ca 0.06 -1.64 -0.31 0.00 1.01 0.00 0.00 58.87 57.98 2a3s n SER 67 Cb 0.59 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.64 2.15 0.56 1.43 -2.07 -1.26 -4.99 119.66 114.84 2a3s s GLN 68 Ca 0.00 -0.94 0.26 0.00 -1.82 0.00 0.00 55.36 52.86 2a3s s GLN 68 Cb 0.00 -2.24 1.64 0.00 -1.09 0.00 0.00 33.01 31.32 2a3s s GLN 68 CO 0.00 0.55 2.21 0.93 -1.32 0.00 0.00 175.29 177.66 2a3s h GLU 69 N 4.54 0.00 -6.62 9.60 5.08 -2.07 -3.42 114.58 121.71 2a3s h GLU 69 Ca -0.48 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.36 2a3s h GLU 69 Cb 1.16 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.45 2a3s h GLU 69 CO 0.49 0.01 0.90 -1.21 -1.00 0.00 0.00 179.01 178.20 2a3s s GLU 70 N -4.71 4.20 -0.03 2.33 8.01 -1.26 -4.95 118.70 122.29 2a3s s GLU 70 Ca -0.05 2.40 -0.30 0.00 0.01 0.00 0.00 54.97 57.03 2a3s s GLU 70 Cb 0.15 -3.14 -0.03 0.00 -4.31 0.00 0.00 34.13 26.81 2a3s s GLU 70 CO 0.58 -0.63 1.03 -1.25 0.01 0.00 0.00 175.26 175.00 2a3s s PRO 71 N 1.12 4.49 0.00 0.39 0.04 -1.26 -4.99 135.00 134.78 2a3s s PRO 71 Ca 0.71 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2a3s s PRO 71 Cb -0.45 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2a3s s PRO 71 CO 0.32 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2a3s n GLY 72 N 3.03 2.14 2.03 0.56 0.00 -1.26 -5.02 105.19 106.68 2a3s n GLY 72 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 2.06 -1.63 1.61 2.85 -1.26 -4.94 118.16 116.85 2a3s n LYS 73 Ca 0.00 -2.05 -0.43 0.00 -1.05 0.00 0.00 58.31 54.78 2a3s n LYS 73 Cb 0.00 -1.81 -0.03 0.00 -0.65 0.00 0.00 35.03 32.54 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 -0.35 0.65 -0.29 2.58 0.00 -1.26 -4.88 107.32 103.77 2a3s s GLY 74 Ca 0.41 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.99 2a3s s GLY 74 CO -0.02 3.74 0.71 -0.56 0.00 0.00 0.00 173.10 176.98 2a3s s SER 75 N 7.68 -1.31 -0.12 1.64 0.01 -1.26 -3.72 113.70 116.62 2a3s s SER 75 Ca 0.98 0.16 -0.06 0.00 1.31 0.00 0.00 55.95 58.34 2a3s s SER 75 Cb -0.34 1.83 -0.04 0.00 0.21 0.00 0.00 66.02 67.68 2a3s s SER 75 CO 0.36 -0.24 0.11 0.12 0.41 0.00 0.00 173.24 174.00 2a3s s PHE 76 N 2.86 3.50 -0.08 2.43 2.19 -1.16 -4.72 117.98 123.00 2a3s s PHE 76 Ca 0.15 0.44 -0.04 0.00 0.33 0.00 0.00 56.93 57.80 2a3s s PHE 76 Cb -0.08 -1.94 -0.04 0.00 -1.31 0.00 0.00 43.02 39.65 2a3s s PHE 76 CO -0.25 0.64 0.10 -1.58 1.83 0.00 0.00 175.22 175.96 2a3s s TRP 77 N -0.83 3.44 0.14 10.12 0.52 0.23 -2.55 118.94 130.01 2a3s s TRP 77 Ca 0.14 0.39 -0.24 0.00 0.02 0.00 0.00 56.10 56.41 2a3s s TRP 77 Cb -0.12 -1.86 0.07 0.00 -1.15 0.00 0.00 33.47 30.41 2a3s s TRP 77 CO 0.03 0.64 0.62 -0.98 0.02 0.00 0.00 176.95 177.28 2a3s s ARG 78 N -1.18 1.25 0.15 4.98 1.70 -0.83 0.18 118.95 125.19 2a3s s ARG 78 Ca 0.17 -0.43 0.04 0.00 -0.47 0.00 0.00 55.73 55.04 2a3s s ARG 78 Cb -0.12 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2a3s s ARG 78 CO 0.06 -0.54 0.16 -1.50 -1.08 0.00 0.00 175.30 172.40 2a3s s ILE 79 N -3.62 4.67 0.53 4.99 2.07 -1.12 0.14 121.20 128.87 2a3s s ILE 79 Ca 0.01 -0.95 -0.22 0.00 -1.41 0.00 0.00 60.65 58.07 2a3s s ILE 79 Cb -0.01 -3.37 -0.05 0.00 0.13 0.00 0.00 42.46 39.16 2a3s s ILE 79 CO -0.12 -0.07 1.35 0.47 -1.91 0.00 0.00 174.94 174.66 2a3s n ASP 80 N -0.27 2.70 0.13 4.50 8.00 0.34 -4.81 116.55 127.15 2a3s n ASP 80 Ca -0.08 0.99 -0.22 0.00 0.71 0.00 0.00 54.79 56.20 2a3s n ASP 80 Cb 0.54 -1.57 -0.15 0.00 -0.02 0.00 0.00 41.12 39.92 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 1.52 0.45 0.00 -0.24 0.13 -1.95 -2.13 132.00 129.79 2a3s h PRO 81 Ca -0.51 -0.77 0.00 0.00 -0.87 0.00 0.00 66.00 63.86 2a3s h PRO 81 Cb 1.30 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.72 2a3s h PRO 81 CO 0.57 1.37 0.00 0.00 -0.23 0.00 0.00 178.00 179.71 2a3s n ALA 82 N -2.65 2.54 0.07 -0.56 0.00 -1.26 -3.24 120.51 115.41 2a3s n ALA 82 Ca -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.15 2a3s n ALA 82 Cb 1.08 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.17 1.62 -0.13 0.00 7.64 -1.23 -4.62 113.62 115.73 2a3s n SER 83 Ca 0.18 -0.36 0.07 0.00 1.01 0.00 0.00 58.87 59.77 2a3s n SER 83 Cb 0.19 1.04 0.40 0.00 -1.01 0.00 0.00 64.21 64.82 2a3s n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2a3s h GLU 84 N 0.00 0.62 0.00 1.43 4.11 -1.35 0.38 114.58 119.77 2a3s h GLU 84 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2a3s h GLU 84 Cb 0.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2a3s h GLU 84 CO 0.00 0.41 0.00 0.00 0.07 0.00 0.00 179.01 179.49 2a3s h ALA 85 N 1.65 1.00 0.00 1.06 0.00 -1.82 -2.40 119.26 118.76 2a3s h ALA 85 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2a3s h ALA 85 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2a3s h ALA 85 CO -0.08 0.00 -1.11 1.17 0.00 0.00 0.00 179.25 179.23 2a3s n LYS 86 N -2.81 0.52 0.03 0.00 0.00 0.11 -4.15 118.16 111.85 2a3s n LYS 86 Ca 0.01 0.47 -0.11 0.00 0.00 0.00 0.00 58.31 58.68 2a3s n LYS 86 Cb 0.25 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.59 2a3s n LYS 86 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2a3s h LEU 87 N -1.00 -0.87 -1.66 3.14 -0.00 -1.00 -0.05 115.31 113.88 2a3s h LEU 87 Ca -0.22 0.12 0.50 0.00 -0.00 0.00 0.00 57.88 58.28 2a3s h LEU 87 Cb 1.00 0.36 -0.11 0.00 -0.00 0.00 0.00 40.66 41.92 2a3s h LEU 87 CO -0.13 -0.34 1.08 -0.37 -0.00 0.00 0.00 178.44 178.68 2a3s h VAL 88 N -0.39 0.06 -0.80 0.15 -1.51 -1.64 1.35 116.25 113.47 2a3s h VAL 88 Ca 0.08 -0.01 0.15 0.00 -1.23 0.00 0.00 66.70 65.69 2a3s h VAL 88 Cb 0.51 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.65 2a3s h VAL 88 CO -0.29 0.00 0.53 -0.33 -1.23 0.00 0.00 177.57 176.25 2a3s h GLU 89 N 0.03 0.51 0.00 5.19 4.39 -1.15 0.52 114.58 124.06 2a3s h GLU 89 Ca 0.87 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.54 2a3s h GLU 89 Cb 3.09 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 31.62 2a3s h GLU 89 CO -0.26 0.34 -0.73 0.94 -1.16 0.00 0.00 179.01 178.14 2a3s n GLN 90 N -4.51 0.26 0.02 2.33 7.27 0.46 -4.38 117.38 118.83 2a3s n GLN 90 Ca 0.15 0.05 -0.01 0.00 0.07 0.00 0.00 57.00 57.27 2a3s n GLN 90 Cb 0.50 -1.64 -0.00 0.00 2.41 0.00 0.00 30.24 31.51 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a3s h ALA 91 N 2.57 -0.95 0.00 1.69 0.00 0.62 -3.10 119.26 120.09 2a3s h ALA 91 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2a3s h ALA 91 Cb 0.71 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2a3s h ALA 91 CO 0.00 -0.95 0.97 1.97 0.00 0.00 0.00 179.25 181.24 2a3s n PHE 92 N -2.13 0.76 -3.98 0.00 1.16 -1.13 -4.75 117.46 107.40 2a3s n PHE 92 Ca -0.01 -1.98 -0.31 0.00 -1.87 0.00 0.00 57.45 53.29 2a3s n PHE 92 Cb 0.02 -1.86 -0.15 0.00 -1.61 0.00 0.00 39.48 35.88 2a3s n PHE 92 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2a3s s ARG 93 N 1.42 1.39 -0.38 3.97 3.00 -1.17 -5.07 118.95 122.11 2a3s s ARG 93 Ca 0.67 -1.75 -0.29 0.00 -1.00 0.00 0.00 55.73 53.36 2a3s s ARG 93 Cb 0.27 -3.03 0.02 0.00 0.00 0.00 0.00 34.95 32.20 2a3s s ARG 93 CO -0.02 -0.94 1.22 0.21 0.00 0.00 0.00 175.30 175.77 2a3s s LYS 94 N 1.01 3.83 -0.80 5.12 2.20 -1.26 -4.90 119.74 124.93 2a3s s LYS 94 Ca 0.10 0.93 -0.26 0.00 -0.36 0.00 0.00 55.97 56.39 2a3s s LYS 94 Cb -0.19 -3.88 -0.21 0.00 -1.51 0.00 0.00 37.83 32.04 2a3s s LYS 94 CO -0.10 -1.23 1.91 0.54 -0.36 0.00 0.00 175.35 176.10 2a3s n ARG 95 N 7.52 0.79 -3.15 4.03 5.12 -1.26 -4.80 116.66 124.91 2a3s n ARG 95 Ca 0.14 -1.79 -0.45 0.00 -1.93 0.00 0.00 57.85 53.81 2a3s n ARG 95 Cb 0.48 -3.35 -0.01 0.00 -1.16 0.00 0.00 32.46 28.42 2a3s n ARG 95 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2a3s s ARG 96 N 6.88 3.93 0.47 5.56 1.81 -1.26 -5.02 118.95 131.31 2a3s s ARG 96 Ca 0.70 -2.61 -0.15 0.00 -1.72 0.00 0.00 55.73 51.95 2a3s s ARG 96 Cb 0.05 -4.74 -0.08 0.00 -0.45 0.00 0.00 34.95 29.73 2a3s s ARG 96 CO 0.20 -1.50 0.91 -1.14 -0.68 0.00 0.00 175.30 173.09 2a3s s GLN 97 N 0.58 3.92 0.22 3.54 2.00 -1.26 -5.08 119.66 123.58 2a3s s GLN 97 Ca 0.32 0.81 -0.00 0.00 -2.00 0.00 0.00 55.36 54.49 2a3s s GLN 97 Cb -0.07 -2.23 -0.04 0.00 0.80 0.00 0.00 33.01 31.47 2a3s s GLN 97 CO -0.06 -0.17 0.12 -0.98 -0.50 0.00 0.00 175.29 173.70 2a3s s ARG 98 N -3.90 1.29 0.00 1.67 1.70 -1.26 -5.15 118.95 113.30 2a3s s ARG 98 Ca 0.57 -1.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 2a3s s ARG 98 Cb -0.10 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 2a3s s ARG 98 CO 0.29 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.57 2a3s n GLY 99 N -0.35 0.69 2.99 3.88 0.00 -1.26 -4.96 105.19 106.18 2a3s n GLY 99 Ca 0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 2.08 0.00 1.61 -7.23 -1.26 -5.34 120.40 110.27 2a3s s VAL 100 Ca 0.00 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 2a3s s VAL 100 Cb 0.00 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2a3s s VAL 100 CO 0.00 -0.55 0.00 -1.20 -0.31 0.00 0.00 175.10 173.04