#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 2.94 -0.33 -1.84 1.04 -1.26 -4.98 113.70 109.27 2a3s s SER 2 Ca 0.00 -1.57 -0.09 0.00 0.48 0.00 0.00 55.95 54.76 2a3s s SER 2 Cb 0.00 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2a3s s SER 2 CO 0.00 -0.37 0.16 -0.54 0.98 0.00 0.00 173.24 173.46 2a3s s LYS 3 N 1.71 3.09 -0.47 4.02 -0.14 -1.26 -5.04 119.74 121.65 2a3s s LYS 3 Ca 0.13 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.56 2a3s s LYS 3 Cb -0.18 -3.58 0.02 0.00 -1.68 0.00 0.00 37.83 32.41 2a3s s LYS 3 CO -0.20 -0.53 1.22 -1.25 -0.76 0.00 0.00 175.35 173.83 2a3s s PRO 4 N 1.56 3.66 0.00 -1.68 0.04 -1.26 -4.93 135.00 132.40 2a3s s PRO 4 Ca 0.03 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2a3s s PRO 4 Cb -0.18 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2a3s s PRO 4 CO 0.06 -1.46 0.00 -0.35 0.04 0.00 0.00 177.00 175.29 2a3s n PRO 5 N 7.96 0.00 -4.18 0.56 -0.04 -1.26 -4.98 135.00 133.06 2a3s n PRO 5 Ca 0.13 0.32 -0.16 0.00 -0.04 0.00 0.00 63.50 63.74 2a3s n PRO 5 Cb 0.49 -0.81 -0.12 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.65 0.92 0.20 0.54 2.02 -1.26 -4.92 117.35 114.20 2a3s s TYR 6 Ca 0.00 -0.40 -0.32 0.00 -0.37 0.00 0.00 57.07 55.98 2a3s s TYR 6 Cb 0.00 -0.54 -0.15 0.00 -0.40 0.00 0.00 41.96 40.87 2a3s s TYR 6 CO 0.00 -0.01 1.12 0.43 -1.57 0.00 0.00 175.55 175.52 2a3s n SER 7 N 1.72 1.29 -3.97 2.29 7.64 -1.26 -4.39 113.62 116.94 2a3s n SER 7 Ca -0.20 1.15 -0.34 0.00 1.01 0.00 0.00 58.87 60.49 2a3s n SER 7 Cb 0.55 -1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.19 1.06 0.00 1.43 4.01 -1.26 -0.88 117.16 122.71 2a3s n TYR 8 Ca 0.14 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 57.03 2a3s n TYR 8 Cb 0.26 -1.73 0.00 0.00 -0.31 0.00 0.00 39.34 37.57 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 12.37 0.00 -0.02 -0.72 0.00 -1.26 -4.80 120.51 126.08 2a3s n ALA 9 Ca 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 2a3s n ALA 9 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 2a3s n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2a3s n GLN 10 N 0.00 0.68 -0.26 0.00 7.27 -0.06 -3.51 117.38 121.49 2a3s n GLN 10 Ca 0.00 0.27 0.12 0.00 0.07 0.00 0.00 57.00 57.46 2a3s n GLN 10 Cb 0.00 -1.75 0.38 0.00 2.41 0.00 0.00 30.24 31.28 2a3s n GLN 10 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2a3s h LEU 11 N 0.02 0.64 0.09 1.69 5.85 -1.59 -1.24 115.31 120.77 2a3s h LEU 11 Ca -0.35 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 2a3s h LEU 11 Cb 2.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2a3s h LEU 11 CO 0.08 0.33 -0.04 0.40 -0.34 0.00 0.00 178.44 178.87 2a3s h ILE 12 N 0.69 1.13 -0.07 4.05 1.08 -1.82 -2.48 117.51 120.10 2a3s h ILE 12 Ca 0.43 -0.89 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2a3s h ILE 12 Cb 0.69 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 2a3s h ILE 12 CO -0.19 0.22 -0.31 0.58 -0.69 0.00 0.00 178.15 177.75 2a3s h VAL 13 N -0.53 0.00 -0.25 1.67 2.07 -1.28 0.83 116.25 118.75 2a3s h VAL 13 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2a3s h VAL 13 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2a3s h VAL 13 CO 0.02 0.00 0.28 -0.61 0.02 0.00 0.00 177.57 177.28 2a3s h GLN 14 N -0.34 0.00 0.08 1.57 4.15 -1.55 2.24 115.11 121.26 2a3s h GLN 14 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2a3s h GLN 14 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2a3s h GLN 14 CO -0.24 0.00 -0.04 0.00 -1.93 0.00 0.00 178.83 176.62 2a3s h ALA 15 N 1.68 -0.11 0.00 3.38 0.00 0.48 -2.22 119.26 122.47 2a3s h ALA 15 Ca 0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2a3s h ALA 15 Cb 0.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2a3s h ALA 15 CO -0.00 -0.32 -0.86 -0.84 0.00 0.00 0.00 179.25 177.23 2a3s h ILE 16 N -0.58 0.74 -0.57 0.00 3.07 0.21 -3.24 117.51 117.14 2a3s h ILE 16 Ca -0.01 -1.84 0.06 0.00 1.55 0.00 0.00 64.86 64.62 2a3s h ILE 16 Cb 0.49 1.68 -0.05 0.00 -0.27 0.00 0.00 36.82 38.66 2a3s h ILE 16 CO 0.02 0.25 0.27 0.28 -1.05 0.00 0.00 178.15 177.92 2a3s h SER 17 N -1.00 0.37 0.00 2.16 0.02 0.35 0.89 113.55 116.34 2a3s h SER 17 Ca -0.20 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2a3s h SER 17 Cb 1.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2a3s h SER 17 CO -0.12 0.24 0.00 -0.24 -1.14 0.00 0.00 176.83 175.57 2a3s n SER 18 N -4.89 0.00 -4.56 3.07 2.88 -0.83 -4.73 113.62 104.55 2a3s n SER 18 Ca 0.06 -1.41 -0.34 0.00 -1.33 0.00 0.00 58.87 55.85 2a3s n SER 18 Cb 0.18 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.00 3.02 0.50 -1.46 0.00 0.31 -4.96 121.76 117.16 2a3s s ALA 19 Ca 0.21 -0.85 0.37 0.00 0.00 0.00 0.00 51.96 51.69 2a3s s ALA 19 Cb 0.10 -1.39 1.53 0.00 0.00 0.00 0.00 23.12 23.36 2a3s s ALA 19 CO 0.16 0.43 1.66 0.37 0.00 0.00 0.00 175.76 178.38 2a3s h GLN 20 N 5.84 0.06 -5.19 0.00 5.75 -1.85 -3.22 115.11 116.50 2a3s h GLN 20 Ca -0.41 -0.00 -0.66 0.00 -0.15 0.00 0.00 58.65 57.42 2a3s h GLN 20 Cb 1.18 -0.01 -0.16 0.00 1.07 0.00 0.00 27.48 29.56 2a3s h GLN 20 CO 0.57 0.04 0.31 -0.51 -2.65 0.00 0.00 178.83 176.59 2a3s s ASP 21 N -4.52 6.21 0.24 -0.69 1.11 -1.26 -4.87 116.67 112.89 2a3s s ASP 21 Ca -0.06 -0.99 0.15 0.00 0.18 0.00 0.00 52.55 51.83 2a3s s ASP 21 Cb 0.27 -2.36 0.83 0.00 1.07 0.00 0.00 42.92 42.73 2a3s s ASP 21 CO 0.84 -1.19 1.46 0.54 1.18 0.00 0.00 175.17 177.99 2a3s n ARG 22 N 6.94 0.10 -4.52 8.23 1.74 -1.22 -4.45 116.66 123.48 2a3s n ARG 22 Ca -0.05 0.59 -0.33 0.00 -0.77 0.00 0.00 57.85 57.29 2a3s n ARG 22 Cb 0.45 -1.85 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 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 -3.38 2.63 0.05 5.56 -2.07 -1.26 -3.06 119.66 118.12 2a3s s GLN 23 Ca -0.02 -0.65 0.04 0.00 -1.82 0.00 0.00 55.36 52.91 2a3s s GLN 23 Cb 0.04 -2.54 -0.02 0.00 -1.09 0.00 0.00 33.01 29.40 2a3s s GLN 23 CO 0.14 0.63 -0.11 -0.51 -1.32 0.00 0.00 175.29 174.12 2a3s s LEU 24 N -1.18 2.23 0.75 2.60 1.43 0.17 -4.93 118.68 119.74 2a3s s LEU 24 Ca 0.15 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2a3s s LEU 24 Cb -0.11 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.79 2a3s s LEU 24 CO 0.05 -0.10 1.13 0.42 0.23 0.00 0.00 176.35 178.08 2a3s s THR 25 N -1.14 2.91 0.34 5.49 -4.23 -1.26 -2.62 115.64 115.13 2a3s s THR 25 Ca -0.04 0.30 0.11 0.00 -1.18 0.00 0.00 61.69 60.87 2a3s s THR 25 Cb -0.09 -3.29 0.33 0.00 1.34 0.00 0.00 72.50 70.80 2a3s s THR 25 CO 0.01 -0.39 1.78 0.25 -0.54 0.00 0.00 174.62 175.73 2a3s h LEU 26 N -0.82 0.65 -3.96 4.79 6.46 -1.95 0.55 115.31 121.03 2a3s h LEU 26 Ca -0.45 0.10 -0.53 0.00 -0.12 0.00 0.00 57.88 56.87 2a3s h LEU 26 Cb 1.28 -0.02 -0.30 0.00 -0.73 0.00 0.00 40.66 40.90 2a3s h LEU 26 CO 0.65 0.19 0.67 -0.24 -0.62 0.00 0.00 178.44 179.08 2a3s n SER 27 N -4.73 4.16 -0.14 1.25 2.88 -1.26 -4.37 113.62 111.41 2a3s n SER 27 Ca 0.24 -3.60 -0.30 0.00 -1.33 0.00 0.00 58.87 53.89 2a3s n SER 27 Cb 0.69 -0.85 -0.10 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.09 -0.45 0.37 0.46 0.00 0.19 -3.93 105.19 100.75 2a3s n GLY 28 Ca 0.59 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.99 0.82 0.02 -0.61 2.10 -1.76 -0.46 117.51 116.63 2a3s h ILE 29 Ca -0.70 -0.12 -0.00 0.00 1.08 0.00 0.00 64.86 65.12 2a3s h ILE 29 Cb 1.61 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 2a3s h ILE 29 CO -0.42 0.06 -0.01 1.88 -1.08 0.00 0.00 178.15 178.58 2a3s h TYR 30 N 0.34 -0.03 0.00 2.19 0.05 -1.80 0.94 116.97 118.67 2a3s h TYR 30 Ca 0.32 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.10 2a3s h TYR 30 Cb 0.77 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 2a3s h TYR 30 CO -0.00 0.34 -0.01 0.00 -1.05 0.00 0.00 178.16 177.45 2a3s h ALA 31 N 0.57 1.18 0.03 3.88 0.00 -1.34 0.17 119.26 123.75 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 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2a3s h ALA 31 CO 0.00 0.01 -0.01 1.25 0.00 0.00 0.00 179.25 180.50 2a3s h HIS 32 N 0.00 -0.04 -0.90 0.00 -0.00 -0.21 -3.07 115.15 110.93 2a3s h HIS 32 Ca -0.00 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 2a3s h HIS 32 Cb 0.04 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.39 2a3s h HIS 32 CO 0.00 -0.02 0.58 -0.84 -0.00 0.00 0.00 177.93 177.65 2a3s h ILE 33 N -0.23 0.83 -0.05 6.26 -0.00 -0.74 0.60 117.51 124.18 2a3s h ILE 33 Ca -0.00 -0.24 0.01 0.00 -0.00 0.00 0.00 64.86 64.63 2a3s h ILE 33 Cb 0.03 0.06 -0.00 0.00 -0.00 0.00 0.00 36.82 36.91 2a3s h ILE 33 CO 0.01 0.13 0.06 0.71 -0.00 0.00 0.00 178.15 179.06 2a3s h THR 34 N 0.70 0.45 0.15 0.16 1.35 -0.77 2.58 112.91 117.52 2a3s h THR 34 Ca 0.46 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 66.04 2a3s h THR 34 Cb 0.74 0.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2a3s h THR 34 CO -0.22 0.00 -1.39 0.50 -0.25 0.00 0.00 175.52 174.16 2a3s h LYS 35 N 0.00 0.31 0.05 4.72 3.11 0.29 -3.40 116.57 121.65 2a3s h LYS 35 Ca 0.02 -0.53 -0.22 0.00 -2.81 0.00 0.00 60.65 57.12 2a3s h LYS 35 Cb 0.15 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2a3s h LYS 35 CO -0.00 1.25 -1.14 0.45 -2.81 0.00 0.00 179.45 177.21 2a3s h HIS 36 N -0.20 0.20 -3.55 1.91 3.86 -0.76 -3.44 115.15 113.18 2a3s h HIS 36 Ca -0.28 -0.15 -0.62 0.00 -1.16 0.00 0.00 60.37 58.16 2a3s h HIS 36 Cb 1.84 -0.01 -0.13 0.00 1.06 0.00 0.00 27.41 30.18 2a3s h HIS 36 CO 0.13 1.44 0.08 0.71 0.86 0.00 0.00 177.93 181.16 2a3s s TYR 37 N -2.39 3.23 0.13 2.45 2.02 0.86 -4.94 117.35 118.71 2a3s s TYR 37 Ca -0.23 0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 57.02 2a3s s TYR 37 Cb 0.04 -2.90 -0.09 0.00 -0.40 0.00 0.00 41.96 38.60 2a3s s TYR 37 CO 0.69 -0.42 1.30 -1.00 -1.57 0.00 0.00 175.55 174.55 2a3s h PRO 38 N 8.16 0.30 0.52 -1.71 0.13 -1.79 -3.34 132.00 134.27 2a3s h PRO 38 Ca -0.27 -0.35 -0.03 0.00 -0.87 0.00 0.00 66.00 64.48 2a3s h PRO 38 Cb 1.12 0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2a3s h PRO 38 CO 0.77 1.06 -0.25 -0.92 -0.23 0.00 0.00 178.00 178.44 2a3s h TYR 39 N 0.15 -0.65 -0.47 1.56 3.20 -1.92 -3.34 116.97 115.51 2a3s h TYR 39 Ca -0.07 -0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.59 2a3s h TYR 39 Cb 1.62 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 40.08 2a3s h TYR 39 CO 0.05 -0.37 0.53 0.71 -1.64 0.00 0.00 178.16 177.44 2a3s s TYR 40 N -5.74 1.58 0.00 -3.82 1.51 -1.25 -4.69 117.35 104.93 2a3s s TYR 40 Ca -0.16 1.21 0.00 0.00 -1.01 0.00 0.00 57.07 57.10 2a3s s TYR 40 Cb 0.03 -3.76 0.00 0.00 -0.11 0.00 0.00 41.96 38.12 2a3s s TYR 40 CO 0.60 -1.38 0.00 0.54 -1.11 0.00 0.00 175.55 174.20 2a3s n ARG 41 N 8.59 0.00 -1.14 -0.62 1.74 -1.26 -4.02 116.66 119.95 2a3s n ARG 41 Ca 0.43 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2a3s n ARG 41 Cb 0.46 -0.44 -0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2a3s n THR 42 N -1.89 0.00 -2.77 0.55 -2.24 -1.26 -4.89 114.28 101.78 2a3s n THR 42 Ca 0.00 -0.51 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 2a3s n THR 42 Cb 0.00 0.72 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s s ALA 43 N 0.00 4.12 -0.46 6.98 0.00 -1.26 -5.08 121.76 126.06 2a3s s ALA 43 Ca 0.17 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.57 2a3s s ALA 43 Cb 0.20 -1.88 0.14 0.00 0.00 0.00 0.00 23.12 21.58 2a3s s ALA 43 CO -0.09 -0.79 0.27 0.16 0.00 0.00 0.00 175.76 175.31 2a3s s ASP 44 N -4.50 3.57 0.00 0.00 -4.77 -1.26 -4.88 116.67 104.83 2a3s s ASP 44 Ca 0.59 -2.78 0.00 0.00 -3.30 0.00 0.00 52.55 47.06 2a3s s ASP 44 Cb -0.09 -1.04 0.00 0.00 -1.09 0.00 0.00 42.92 40.70 2a3s s ASP 44 CO 0.38 -0.24 0.00 1.17 0.70 0.00 0.00 175.17 177.18 2a3s n LYS 45 N 3.34 0.00 -1.62 2.11 3.00 -1.26 -4.91 118.16 118.81 2a3s n LYS 45 Ca 0.11 0.06 -0.01 0.00 -0.00 0.00 0.00 58.31 58.47 2a3s n LYS 45 Cb 0.36 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 34.98 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 2.37 1.04 0.00 3.14 0.00 -1.26 -4.90 105.19 105.58 2a3s n GLY 46 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.05 0.00 0.00 1.61 4.27 -1.26 -4.67 117.44 117.34 2a3s n TRP 47 Ca -0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 2a3s n TRP 47 Cb 0.91 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.86 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 -1.50 0.00 0.25 -2.67 0.00 -1.26 0.13 117.38 112.33 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 0.31 -0.07 0.68 0.00 0.00 0.00 0.00 30.24 31.16 2a3s n GLN 48 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2a3s h ASN 49 N 0.00 0.00 -0.93 2.61 -0.26 -1.99 -0.50 115.58 114.51 2a3s h ASN 49 Ca 0.00 0.00 0.15 0.00 -0.56 0.00 0.00 56.30 55.89 2a3s h ASN 49 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.18 2a3s h ASN 49 CO 0.00 0.00 0.60 0.28 -1.06 0.00 0.00 177.43 177.25 2a3s h SER 50 N 0.00 0.70 0.20 5.81 0.02 -1.76 -0.36 113.55 118.17 2a3s h SER 50 Ca 0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2a3s h SER 50 Cb 0.06 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2a3s h SER 50 CO -0.00 0.33 -0.18 0.40 -1.14 0.00 0.00 176.83 176.24 2a3s h ILE 51 N 0.73 0.00 -1.03 3.27 5.03 0.28 1.01 117.51 126.80 2a3s h ILE 51 Ca 0.48 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 65.48 2a3s h ILE 51 Cb 0.76 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.44 2a3s h ILE 51 CO -0.24 0.00 0.64 -0.09 -0.68 0.00 0.00 178.15 177.77 2a3s h ARG 52 N -0.38 0.48 -0.45 2.37 9.65 -1.50 0.88 114.38 125.43 2a3s h ARG 52 Ca -0.03 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.72 2a3s h ARG 52 Cb 0.32 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2a3s h ARG 52 CO -0.01 0.32 -0.13 1.25 2.80 0.00 0.00 179.97 184.20 2a3s h HIS 53 N 0.49 0.92 -0.05 2.20 2.76 -0.15 -2.74 115.15 118.60 2a3s h HIS 53 Ca 0.62 -0.18 -0.13 0.00 -2.20 0.00 0.00 60.37 58.48 2a3s h HIS 53 Cb 1.36 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 2a3s h HIS 53 CO -0.00 0.91 -0.56 -0.91 -1.30 0.00 0.00 177.93 176.06 2a3s h ASN 54 N 0.75 0.16 1.03 3.26 2.35 0.81 -2.47 115.58 121.47 2a3s h ASN 54 Ca 0.12 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2a3s h ASN 54 Cb 0.63 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2a3s h ASN 54 CO 0.04 0.69 0.00 -0.07 -1.65 0.00 0.00 177.43 176.45 2a3s h LEU 55 N 0.11 0.00 0.01 1.61 3.38 -0.48 0.18 115.31 120.13 2a3s h LEU 55 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2a3s h LEU 55 Cb 1.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2a3s h LEU 55 CO 0.08 0.00 -1.74 -1.20 0.09 0.00 0.00 178.44 175.67 2a3s n SER 56 N -2.92 0.95 -0.08 -0.43 7.64 -1.02 -4.20 113.62 113.56 2a3s n SER 56 Ca 0.01 0.40 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 2a3s n SER 56 Cb 0.31 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.01 0.00 -9.11 -3.43 3.38 -1.22 -3.46 115.31 101.47 2a3s h LEU 57 Ca -0.30 -0.38 -0.75 0.00 0.09 0.00 0.00 57.88 56.55 2a3s h LEU 57 Cb 2.02 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.82 2a3s h LEU 57 CO 0.08 1.00 0.26 0.59 0.09 0.00 0.00 178.44 180.45 2a3s n ASN 58 N -4.59 0.76 0.22 -0.43 3.02 0.03 -4.81 115.26 109.47 2a3s n ASN 58 Ca -0.14 1.14 0.13 0.00 -0.03 0.00 0.00 54.58 55.68 2a3s n ASN 58 Cb 0.39 -1.04 0.26 0.00 -0.61 0.00 0.00 39.78 38.79 2a3s n ASN 58 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2a3s h ARG 59 N 3.79 0.00 -0.61 3.52 0.11 -1.89 -3.03 114.38 116.27 2a3s h ARG 59 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2a3s h ARG 59 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 2a3s h ARG 59 CO 0.72 0.00 0.00 2.48 0.10 0.00 0.00 179.97 183.27 2a3s n TYR 60 N -3.06 0.86 -4.28 4.08 4.11 -1.26 -4.81 117.16 112.81 2a3s n TYR 60 Ca 0.04 -0.33 -0.21 0.00 -0.00 0.00 0.00 57.90 57.39 2a3s n TYR 60 Cb 0.49 -0.18 -0.13 0.00 -0.00 0.00 0.00 39.34 39.53 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 -1.73 1.41 0.26 -3.48 0.08 -1.15 0.21 117.98 113.58 2a3s s PHE 61 Ca 0.28 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.70 2a3s s PHE 61 Cb 0.19 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2a3s s PHE 61 CO 0.13 0.09 0.68 0.96 -0.10 0.00 0.00 175.22 176.99 2a3s s ILE 62 N -1.11 0.00 0.33 0.64 -4.36 0.40 -4.71 121.20 112.38 2a3s s ILE 62 Ca 0.02 -0.84 0.07 0.00 -0.26 0.00 0.00 60.65 59.64 2a3s s ILE 62 Cb -0.09 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 2a3s s ILE 62 CO 0.03 -0.00 0.33 -0.75 0.24 0.00 0.00 174.94 174.78 2a3s s LYS 63 N -3.89 2.84 0.37 0.37 2.20 -1.26 0.31 119.74 120.68 2a3s s LYS 63 Ca 0.10 -1.20 -0.03 0.00 -0.36 0.00 0.00 55.97 54.47 2a3s s LYS 63 Cb -0.05 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 2a3s s LYS 63 CO 0.03 0.11 0.62 0.14 -0.36 0.00 0.00 175.35 175.90 2a3s s VAL 64 N -2.26 5.02 0.00 4.02 -7.23 -1.06 -4.77 120.40 114.13 2a3s s VAL 64 Ca 0.41 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 2a3s s VAL 64 Cb -0.07 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.05 2a3s s VAL 64 CO 0.28 -0.58 0.00 -0.81 -0.31 0.00 0.00 175.10 173.67 2a3s n PRO 65 N -1.69 0.10 -1.14 4.82 -0.04 -1.26 -4.92 135.00 130.87 2a3s n PRO 65 Ca -0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2a3s n PRO 65 Cb 0.55 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.14 2a3s n PRO 65 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2a3s n ARG 66 N -0.82 1.28 0.00 0.54 1.85 -1.26 -4.70 116.66 113.55 2a3s n ARG 66 Ca 0.00 -2.99 0.11 0.00 -1.00 0.00 0.00 57.85 53.97 2a3s n ARG 66 Cb 0.00 -1.17 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 2a3s n ARG 66 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2a3s n SER 67 N -0.54 0.76 -3.34 2.89 3.41 -1.26 -4.75 113.62 110.80 2a3s n SER 67 Ca 0.17 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.99 2a3s n SER 67 Cb 0.87 0.91 -0.07 0.00 -0.26 0.00 0.00 64.21 65.66 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 -3.07 0.54 -0.30 4.33 0.74 -1.26 -5.08 119.66 115.56 2a3s s GLN 68 Ca 0.07 -0.41 -0.14 0.00 0.05 0.00 0.00 55.36 54.93 2a3s s GLN 68 Cb 0.16 -0.52 0.18 0.00 1.10 0.00 0.00 33.01 33.94 2a3s s GLN 68 CO 0.83 -1.12 1.13 -2.00 -0.55 0.00 0.00 175.29 173.57 2a3s s GLU 69 N 1.93 0.07 0.10 1.67 2.12 -1.26 -5.02 118.70 118.31 2a3s s GLU 69 Ca 0.14 0.04 -0.21 0.00 0.36 0.00 0.00 54.97 55.30 2a3s s GLU 69 Cb -0.13 0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.19 2a3s s GLU 69 CO -0.16 -0.12 1.72 1.49 -0.54 0.00 0.00 175.26 177.65 2a3s h GLU 70 N 6.73 0.20 -6.27 4.30 4.81 -1.99 -3.39 114.58 118.96 2a3s h GLU 70 Ca -0.10 -0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.54 2a3s h GLU 70 Cb 1.19 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2a3s h GLU 70 CO -0.13 0.19 0.87 -1.25 -0.73 0.00 0.00 179.01 177.95 2a3s s PRO 71 N -5.97 4.08 -0.29 0.92 0.04 -1.26 -4.89 135.00 127.63 2a3s s PRO 71 Ca -0.13 1.20 0.21 0.00 0.04 0.00 0.00 61.00 62.32 2a3s s PRO 71 Cb 0.07 -3.75 0.49 0.00 0.04 0.00 0.00 34.50 31.35 2a3s s PRO 71 CO 0.69 -0.88 1.12 0.41 0.04 0.00 0.00 177.00 178.37 2a3s n GLY 72 N 3.84 1.73 0.00 0.56 0.00 -1.26 -4.86 105.19 105.20 2a3s n GLY 72 Ca 0.13 -1.01 0.15 0.00 0.00 0.00 0.00 46.02 45.29 2a3s n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a3s n LYS 73 N -0.56 1.00 0.00 1.61 4.81 -1.26 -4.80 118.16 118.96 2a3s n LYS 73 Ca 0.05 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2a3s n LYS 73 Cb 0.81 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.39 2a3s n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a3s n GLY 74 N 0.98 -0.41 3.73 3.14 0.00 -1.26 -5.18 105.19 106.18 2a3s n GLY 74 Ca 0.23 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.72 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 2.00 -0.15 -0.28 1.61 1.04 -1.26 -5.15 113.70 111.52 2a3s s SER 75 Ca 0.00 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2a3s s SER 75 Cb 0.00 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.70 2a3s s SER 75 CO 0.00 -0.78 0.44 0.12 0.98 0.00 0.00 173.24 173.99 2a3s s PHE 76 N -3.10 -1.11 0.36 5.02 2.19 -1.26 -4.60 117.98 115.47 2a3s s PHE 76 Ca 0.13 0.66 0.07 0.00 0.33 0.00 0.00 56.93 58.12 2a3s s PHE 76 Cb -0.00 0.01 -0.02 0.00 -1.31 0.00 0.00 43.02 41.69 2a3s s PHE 76 CO 0.01 -0.92 0.36 1.67 1.83 0.00 0.00 175.22 178.17 2a3s s TRP 77 N 2.60 2.88 0.18 10.12 1.48 -1.08 -2.55 118.94 132.58 2a3s s TRP 77 Ca 0.11 -0.34 0.01 0.00 -1.06 0.00 0.00 56.10 54.83 2a3s s TRP 77 Cb -0.13 -1.95 -0.00 0.00 -1.16 0.00 0.00 33.47 30.22 2a3s s TRP 77 CO -0.25 0.04 0.21 2.89 -4.06 0.00 0.00 176.95 175.78 2a3s n ARG 78 N -1.49 0.30 -3.51 3.25 1.85 0.15 0.43 116.66 117.64 2a3s n ARG 78 Ca 0.00 -1.58 -0.20 0.00 -1.00 0.00 0.00 57.85 55.07 2a3s n ARG 78 Cb 0.60 1.42 -0.01 0.00 -1.05 0.00 0.00 32.46 33.42 2a3s n ARG 78 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2a3s s ILE 79 N -2.66 4.40 0.59 8.89 -4.36 -1.17 -0.46 121.20 126.43 2a3s s ILE 79 Ca 0.18 -0.89 -0.20 0.00 -0.26 0.00 0.00 60.65 59.48 2a3s s ILE 79 Cb 0.00 -3.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.13 2a3s s ILE 79 CO 0.12 -0.25 1.30 0.47 0.24 0.00 0.00 174.94 176.83 2a3s n ASP 80 N -1.66 2.26 0.02 4.36 9.92 0.57 -4.67 116.55 127.35 2a3s n ASP 80 Ca -0.02 0.90 -0.18 0.00 -0.53 0.00 0.00 54.79 54.95 2a3s n ASP 80 Cb 0.58 -1.55 -0.13 0.00 -0.64 0.00 0.00 41.12 39.37 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2a3s h PRO 81 N 0.96 0.31 -0.35 -0.24 0.13 -1.97 -2.82 132.00 128.02 2a3s h PRO 81 Ca -0.51 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2a3s h PRO 81 Cb 1.33 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.60 2a3s h PRO 81 CO 0.55 1.16 0.00 0.00 -0.23 0.00 0.00 178.00 179.48 2a3s n ALA 82 N -2.63 2.45 0.08 -0.56 0.00 -1.26 -3.55 120.51 115.04 2a3s n ALA 82 Ca -0.12 -0.63 0.01 0.00 0.00 0.00 0.00 53.44 52.70 2a3s n ALA 82 Cb 0.73 -0.98 -0.01 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 0.55 0.12 -0.04 0.00 7.64 -1.24 -4.69 113.62 115.96 2a3s n SER 83 Ca 0.12 -0.54 -0.08 0.00 1.01 0.00 0.00 58.87 59.38 2a3s n SER 83 Cb 0.31 1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.48 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 0.00 0.08 0.00 1.43 4.81 -1.54 1.71 114.58 121.07 2a3s h GLU 84 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2a3s h GLU 84 Cb 0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2a3s h GLU 84 CO 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.33 2a3s h ALA 85 N 1.17 1.00 0.00 2.92 0.00 -1.84 -1.31 119.26 121.21 2a3s h ALA 85 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 2a3s h ALA 85 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2a3s h ALA 85 CO -0.15 0.00 -1.42 1.17 0.00 0.00 0.00 179.25 178.85 2a3s n LYS 86 N -2.62 0.55 0.27 0.00 0.00 0.78 -4.01 118.16 113.12 2a3s n LYS 86 Ca -0.00 0.49 -0.16 0.00 0.00 0.00 0.00 58.31 58.63 2a3s n LYS 86 Cb 0.16 -1.67 -0.08 0.00 0.00 0.00 0.00 35.03 33.44 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 -0.74 -1.91 3.14 -0.00 0.25 -1.86 115.31 113.19 2a3s h LEU 87 Ca -0.36 0.05 0.43 0.00 -0.00 0.00 0.00 57.88 57.99 2a3s h LEU 87 Cb 1.24 0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 42.05 2a3s h LEU 87 CO -0.22 -0.46 1.04 -0.37 -0.00 0.00 0.00 178.44 178.43 2a3s h VAL 88 N -0.72 0.25 -0.97 0.15 -1.51 -1.43 0.21 116.25 112.23 2a3s h VAL 88 Ca -0.05 -0.01 0.15 0.00 -1.23 0.00 0.00 66.70 65.56 2a3s h VAL 88 Cb 0.59 0.22 -0.09 0.00 -2.13 0.00 0.00 31.29 29.88 2a3s h VAL 88 CO 0.04 0.01 0.58 -0.33 -1.23 0.00 0.00 177.57 176.64 2a3s h GLU 89 N 0.03 0.81 -0.00 5.19 5.08 -1.47 0.57 114.58 124.79 2a3s h GLU 89 Ca 0.72 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 2a3s h GLU 89 Cb 2.77 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.83 2a3s h GLU 89 CO -0.06 0.54 -0.40 1.04 -1.00 0.00 0.00 179.01 179.12 2a3s n GLN 90 N -4.72 0.34 0.12 2.33 1.13 0.69 -4.04 117.38 113.22 2a3s n GLN 90 Ca 0.20 -0.20 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 2a3s n GLN 90 Cb 0.45 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.15 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 3.27 -0.05 -0.15 -1.58 0.00 0.42 -3.28 119.26 117.89 2a3s h ALA 91 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2a3s h ALA 91 Cb 0.50 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2a3s h ALA 91 CO 0.00 0.79 0.00 1.19 0.00 0.00 0.00 179.25 181.23 2a3s n PHE 92 N -3.70 0.50 -2.96 0.00 3.72 -0.16 -4.56 117.46 110.30 2a3s n PHE 92 Ca -0.20 -0.18 0.04 0.00 -0.05 0.00 0.00 57.45 57.07 2a3s n PHE 92 Cb 1.08 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 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 -1.46 0.14 -0.19 -1.08 3.00 -1.24 -5.07 118.95 113.05 2a3s s ARG 93 Ca 0.13 0.03 -0.16 0.00 -1.00 0.00 0.00 55.73 54.74 2a3s s ARG 93 Cb 0.10 0.04 -0.07 0.00 0.00 0.00 0.00 34.95 35.02 2a3s s ARG 93 CO 0.04 -0.22 -0.33 1.17 0.00 0.00 0.00 175.30 175.96 2a3s n LYS 94 N 4.41 0.51 -3.02 5.12 3.00 -1.25 -4.70 118.16 122.22 2a3s n LYS 94 Ca 0.08 0.21 -0.11 0.00 -0.00 0.00 0.00 58.31 58.48 2a3s n LYS 94 Cb 0.61 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 34.22 2a3s n LYS 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2a3s n ARG 95 N -4.34 0.91 -0.70 1.64 1.74 -1.26 -5.11 116.66 109.54 2a3s n ARG 95 Ca -0.22 -1.46 -0.30 0.00 -0.77 0.00 0.00 57.85 55.09 2a3s n ARG 95 Cb 0.58 0.72 0.27 0.00 -1.02 0.00 0.00 32.46 33.01 2a3s n ARG 95 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2a3s s ARG 96 N -2.67 -2.26 0.47 5.56 0.52 -1.26 -5.04 118.95 114.27 2a3s s ARG 96 Ca 0.07 -0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.36 2a3s s ARG 96 Cb 0.00 -1.47 0.03 0.00 0.52 0.00 0.00 34.95 34.03 2a3s s ARG 96 CO 0.05 -4.41 0.59 -1.14 0.02 0.00 0.00 175.30 170.41 2a3s s GLN 97 N -5.27 2.59 0.00 3.54 0.74 -1.26 -5.13 119.66 114.86 2a3s s GLN 97 Ca 0.70 -1.46 0.00 0.00 0.05 0.00 0.00 55.36 54.65 2a3s s GLN 97 Cb -0.11 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.39 2a3s s GLN 97 CO 0.57 -0.45 0.00 0.54 -0.55 0.00 0.00 175.29 175.40 2a3s n ARG 98 N -1.90 1.76 -4.03 1.67 1.74 -1.26 -5.15 116.66 109.50 2a3s n ARG 98 Ca 0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 2a3s n ARG 98 Cb 0.61 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.93 2a3s n ARG 98 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2a3s s GLY 99 N -1.43 0.37 0.42 -0.13 0.00 -1.26 -5.15 107.32 100.14 2a3s s GLY 99 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 2a3s s GLY 99 CO 0.00 -0.70 0.88 0.54 0.00 0.00 0.00 173.10 173.81 2a3s s VAL 100 N -1.32 4.55 0.00 1.40 0.11 -1.26 -5.38 120.40 118.50 2a3s s VAL 100 Ca -0.12 1.18 0.00 0.00 -2.93 0.00 0.00 61.98 60.11 2a3s s VAL 100 Cb -0.09 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 2a3s s VAL 100 CO -0.00 -0.39 0.00 -1.54 -3.33 0.00 0.00 175.10 169.84