#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hro s ALA 3 N 0.00 1.87 0.61 -0.43 0.00 -1.26 -4.79 121.76 117.76 1hro s ALA 3 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 1hro s ALA 3 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1hro s ALA 3 CO 0.00 -2.45 1.32 -2.14 0.00 0.00 0.00 175.76 172.50 1hro s PRO 4 N -5.54 2.78 0.05 0.00 0.02 -1.26 -4.93 135.00 126.12 1hro s PRO 4 Ca 0.68 2.14 -0.30 0.00 0.02 0.00 0.00 61.00 63.54 1hro s PRO 4 Cb -0.10 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 1hro s PRO 4 CO 0.53 -1.44 1.78 -2.14 -0.33 0.00 0.00 177.00 175.40 1hro s PRO 5 N -3.19 4.16 0.50 5.54 0.02 -1.26 -4.77 135.00 136.00 1hro s PRO 5 Ca 0.78 2.45 0.02 0.00 0.02 0.00 0.00 61.00 64.28 1hro s PRO 5 Cb -0.39 -3.81 -0.02 0.00 0.02 0.00 0.00 34.50 30.30 1hro s PRO 5 CO 0.43 -0.84 0.05 0.20 -0.33 0.00 0.00 177.00 176.51 1hro s GLY 6 N 3.19 2.88 -0.31 0.52 0.00 -1.25 -4.80 107.32 107.54 1hro s GLY 6 Ca 0.80 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 1hro s GLY 6 CO 0.35 -2.15 0.01 -0.35 0.00 0.00 0.00 173.10 170.96 1hro s ASP 7 N -3.90 4.84 0.57 1.64 2.15 -1.26 -4.90 116.67 115.80 1hro s ASP 7 Ca 0.13 -1.52 0.31 0.00 0.43 0.00 0.00 52.55 51.90 1hro s ASP 7 Cb 0.02 -1.69 1.70 0.00 -0.30 0.00 0.00 42.92 42.66 1hro s ASP 7 CO 0.07 -0.30 2.16 1.55 -0.17 0.00 0.00 175.17 178.48 1hro h PRO 8 N 7.91 0.00 0.02 4.34 0.13 -1.82 0.78 132.00 143.36 1hro h PRO 8 Ca -0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1hro h PRO 8 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1hro h PRO 8 CO 0.54 0.06 -0.01 0.28 -0.23 0.00 0.00 178.00 178.64 1hro h VAL 9 N 0.00 1.35 -0.19 1.56 2.07 -1.95 -0.92 116.25 118.17 1hro h VAL 9 Ca -0.00 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1hro h VAL 9 Cb 0.21 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1hro h VAL 9 CO 0.01 0.30 -0.44 -0.08 0.02 0.00 0.00 177.57 177.38 1hro h GLU 10 N -0.54 0.48 -0.91 1.57 4.57 -1.88 -2.32 114.58 115.54 1hro h GLU 10 Ca -0.00 -0.25 0.07 0.00 -1.18 0.00 0.00 59.36 57.99 1hro h GLU 10 Cb 0.51 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.05 1hro h GLU 10 CO 0.01 0.83 0.59 0.78 -1.18 0.00 0.00 179.01 180.04 1hro h GLY 11 N 1.12 1.34 1.35 1.92 0.00 -0.78 0.18 103.07 108.20 1hro h GLY 11 Ca 0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1hro h GLY 11 CO 0.08 0.30 -0.18 1.70 0.00 0.00 0.00 176.54 178.43 1hro h LYS 12 N 1.04 0.76 -0.51 4.80 3.64 -0.97 0.30 116.57 125.62 1hro h LYS 12 Ca 0.40 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1hro h LYS 12 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1hro h LYS 12 CO -0.15 0.89 0.04 1.25 -2.27 0.00 0.00 179.45 179.20 1hro h HIS 13 N 0.67 0.95 -0.33 1.91 2.76 -0.36 -1.74 115.15 119.01 1hro h HIS 13 Ca 0.10 -0.15 -0.16 0.00 -2.20 0.00 0.00 60.37 57.96 1hro h HIS 13 Cb 0.68 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1hro h HIS 13 CO 0.03 0.88 -0.40 -0.07 -1.30 0.00 0.00 177.93 177.07 1hro h LEU 14 N 0.76 0.93 -0.57 0.26 3.38 -0.50 -2.83 115.31 116.73 1hro h LEU 14 Ca 0.15 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.72 1hro h LEU 14 Cb 0.47 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1hro h LEU 14 CO 0.02 1.23 0.18 0.15 0.09 0.00 0.00 178.44 180.12 1hro h PHE 15 N 0.65 0.32 -0.09 1.13 3.04 -0.31 -0.76 116.94 120.92 1hro h PHE 15 Ca 0.04 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1hro h PHE 15 Cb 1.00 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1hro h PHE 15 CO 0.07 0.06 0.00 0.72 -2.02 0.00 0.00 178.31 177.14 1hro n HIS 16 N -5.03 0.12 0.00 0.41 8.25 -0.66 -0.58 115.22 117.72 1hro n HIS 16 Ca 0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1hro n HIS 16 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1hro n HIS 16 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1hro n THR 17 N -0.28 0.00 0.02 1.59 -2.24 -0.88 -4.83 114.28 107.67 1hro n THR 17 Ca 0.08 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1hro n THR 17 Cb 0.12 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1hro n THR 17 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1hro n ILE 18 N -0.79 0.14 -0.23 2.28 5.41 -0.34 -4.91 119.36 120.91 1hro n ILE 18 Ca 0.00 0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.78 1hro n ILE 18 Cb 0.00 -0.60 0.19 0.00 -0.71 0.00 0.00 39.64 38.52 1hro n ILE 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1hro h ILE 20 N 1.05 0.00 0.00 0.00 6.09 -0.97 0.35 117.51 124.03 1hro h ILE 20 Ca 0.27 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.71 1hro h ILE 20 Cb -0.00 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 38.05 1hro h ILE 20 CO -0.05 0.00 -0.23 0.74 -3.07 0.00 0.00 178.15 175.54 1hro h THR 21 N 0.00 0.92 0.00 2.19 2.02 -1.79 -3.33 112.91 112.92 1hro h THR 21 Ca 0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1hro h THR 21 Cb 0.06 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1hro h THR 21 CO 0.00 0.23 -0.68 0.00 0.37 0.00 0.00 175.52 175.44 1hro s HIS 23 N -1.48 2.43 0.22 0.00 3.76 0.11 -0.50 115.29 119.82 1hro s HIS 23 Ca 0.00 -0.69 0.07 0.00 -0.15 0.00 0.00 55.06 54.29 1hro s HIS 23 Cb 0.00 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 1hro s HIS 23 CO 0.00 0.40 -0.13 0.95 -0.85 0.00 0.00 174.74 175.12 1hro s THR 24 N -2.78 1.70 -0.49 1.30 -4.23 -1.26 -3.97 115.64 105.91 1hro s THR 24 Ca 0.35 -2.19 0.14 0.00 -1.18 0.00 0.00 61.69 58.81 1hro s THR 24 Cb 0.09 -2.12 0.43 0.00 1.34 0.00 0.00 72.50 72.24 1hro s THR 24 CO 0.17 -0.54 1.35 -0.90 -0.54 0.00 0.00 174.62 174.16 1hro n ASP 25 N -0.41 3.45 -4.81 3.99 5.75 -1.26 -1.11 116.55 122.15 1hro n ASP 25 Ca -0.07 -2.58 -0.36 0.00 -0.01 0.00 0.00 54.79 51.76 1hro n ASP 25 Cb 0.61 -0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 40.22 1hro n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1hro s ILE 26 N -2.04 5.30 0.11 2.12 1.01 -1.26 -4.45 121.20 121.99 1hro s ILE 26 Ca 0.34 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.81 1hro s ILE 26 Cb 0.24 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 39.28 1hro s ILE 26 CO 0.12 0.57 1.86 1.17 0.00 0.00 0.00 174.94 178.66 1hro n LYS 27 N 2.40 2.80 -0.01 2.79 4.81 -1.26 -2.79 118.16 126.89 1hro n LYS 27 Ca -0.19 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1hro n LYS 27 Cb 0.54 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.67 1hro n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hro n GLY 28 N 4.28 2.57 3.56 3.14 0.00 -1.26 -4.97 105.19 112.51 1hro n GLY 28 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1hro n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hro s ALA 29 N -2.73 3.35 -0.07 4.61 0.00 -1.12 -4.89 121.76 120.91 1hro s ALA 29 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1hro s ALA 29 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1hro s ALA 29 CO 0.00 -1.71 0.04 -0.80 0.00 0.00 0.00 175.76 173.29 1hro s ASN 30 N 2.00 5.52 0.00 0.00 0.01 -1.26 -3.49 114.94 117.72 1hro s ASN 30 Ca 0.30 0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.65 1hro s ASN 30 Cb -0.13 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.93 1hro s ASN 30 CO 0.20 0.36 0.00 0.29 -1.51 0.00 0.00 177.10 176.44 1hro n LYS 31 N 1.90 0.00 0.01 -0.60 5.02 -1.26 -4.97 118.16 118.26 1hro n LYS 31 Ca -0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.04 1hro n LYS 31 Cb 0.54 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.65 1hro n LYS 31 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hro h VAL 32 N 0.00 1.31 -2.02 -0.18 2.07 -1.88 -3.44 116.25 112.12 1hro h VAL 32 Ca 0.00 -1.66 -0.58 0.00 0.82 0.00 0.00 66.70 65.28 1hro h VAL 32 Cb 0.00 1.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.32 1hro h VAL 32 CO 0.00 0.51 -0.65 -0.83 0.02 0.00 0.00 177.57 176.63 1hro s GLY 33 N -4.11 1.97 0.64 2.17 0.00 0.34 -5.04 107.32 103.29 1hro s GLY 33 Ca -0.07 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 42.62 1hro s GLY 33 CO 0.82 -1.88 1.06 2.56 0.00 0.00 0.00 173.10 175.65 1hro s PRO 34 N -3.67 3.14 0.32 2.90 0.04 -1.26 -4.65 135.00 131.82 1hro s PRO 34 Ca 0.33 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1hro s PRO 34 Cb -0.02 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 1hro s PRO 34 CO 0.19 -0.94 1.47 0.45 0.04 0.00 0.00 177.00 178.20 1hro n SER 35 N -2.56 3.42 -0.52 6.66 2.88 -1.23 -4.51 113.62 117.76 1hro n SER 35 Ca 0.08 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.93 1hro n SER 35 Cb 0.53 -1.55 0.47 0.00 -0.75 0.00 0.00 64.21 62.91 1hro n SER 35 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1hro n LEU 36 N 1.35 1.62 -4.72 2.46 4.77 -0.26 -4.80 117.00 117.42 1hro n LEU 36 Ca 0.06 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 1hro n LEU 36 Cb 0.36 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1hro n LEU 36 CO 0.63 0.29 1.21 -0.47 -1.33 0.00 0.00 177.39 177.73 1hro s TYR 37 N -1.93 3.08 -1.55 -1.77 6.14 -1.26 -1.86 117.35 118.20 1hro s TYR 37 Ca 0.36 0.66 0.00 0.00 0.64 0.00 0.00 57.07 58.73 1hro s TYR 37 Cb 0.20 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.68 1hro s TYR 37 CO 0.31 -3.31 0.00 0.41 0.64 0.00 0.00 175.55 173.60 1hro n GLY 38 N 3.73 0.71 0.15 8.97 0.00 0.22 -4.91 105.19 114.07 1hro n GLY 38 Ca 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1hro n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hro h VAL 39 N 0.00 1.41 -2.44 1.61 3.04 -1.58 -3.39 116.25 114.90 1hro h VAL 39 Ca -0.35 -2.01 -0.57 0.00 -1.01 0.00 0.00 66.70 62.75 1hro h VAL 39 Cb 1.16 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 32.48 1hro h VAL 39 CO 0.47 0.58 1.29 -0.69 -1.01 0.00 0.00 177.57 178.21 1hro s VAL 40 N -3.71 3.33 0.00 1.51 1.01 -1.26 -1.07 120.40 120.21 1hro s VAL 40 Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1hro s VAL 40 Cb 0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1hro s VAL 40 CO 0.77 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1hro n GLY 41 N 5.18 1.90 3.80 4.51 0.00 0.55 -4.99 105.19 116.13 1hro n GLY 41 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1hro n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hro s ARG 42 N -0.75 3.52 0.30 1.61 3.52 -0.24 -4.51 118.95 122.39 1hro s ARG 42 Ca 0.00 1.32 -0.26 0.00 -0.13 0.00 0.00 55.73 56.66 1hro s ARG 42 Cb 0.00 -2.05 -0.10 0.00 -1.56 0.00 0.00 34.95 31.24 1hro s ARG 42 CO 0.00 -0.66 0.93 -1.58 -0.81 0.00 0.00 175.30 173.17 1hro s HIS 43 N -2.17 3.74 0.86 5.12 5.65 -1.26 0.68 115.29 127.91 1hro s HIS 43 Ca 0.66 1.78 -0.11 0.00 0.25 0.00 0.00 55.06 57.64 1hro s HIS 43 Cb -0.17 -2.91 0.12 0.00 -1.18 0.00 0.00 32.58 28.43 1hro s HIS 43 CO 0.29 0.26 1.17 -1.54 -0.65 0.00 0.00 174.74 174.27 1hro s SER 44 N -1.54 3.27 -1.62 9.88 1.04 0.80 -3.81 113.70 121.73 1hro s SER 44 Ca 0.48 2.24 -0.00 0.00 0.48 0.00 0.00 55.95 59.15 1hro s SER 44 Cb -0.20 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1hro s SER 44 CO 0.25 -2.87 0.02 0.61 0.98 0.00 0.00 173.24 172.23 1hro n GLY 45 N 0.25 -0.50 0.15 7.32 0.00 -1.26 -4.90 105.19 106.24 1hro n GLY 45 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1hro n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1hro n ILE 46 N -3.89 0.00 -1.81 -0.61 -5.35 -1.25 -4.96 119.36 101.49 1hro n ILE 46 Ca -0.22 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 1hro n ILE 46 Cb 0.67 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 39.62 1hro n ILE 46 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1hro s GLU 47 N -0.75 3.92 0.15 6.28 2.56 -1.26 -4.86 118.70 124.74 1hro s GLU 47 Ca 0.05 2.26 -0.34 0.00 0.00 0.00 0.00 54.97 56.94 1hro s GLU 47 Cb 0.04 -4.14 -0.16 0.00 2.00 0.00 0.00 34.13 31.88 1hro s GLU 47 CO 0.10 -1.19 1.27 -2.30 -0.56 0.00 0.00 175.26 172.59 1hro n PRO 48 N 7.68 1.32 -0.23 4.30 -0.01 -1.26 -2.14 135.00 144.66 1hro n PRO 48 Ca 0.21 0.47 0.00 0.00 -0.01 0.00 0.00 63.50 64.17 1hro n PRO 48 Cb 0.43 -2.05 0.00 0.00 -0.01 0.00 0.00 33.50 31.87 1hro n PRO 48 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1hro n GLY 49 N 2.27 2.05 3.76 -1.23 0.00 -1.26 -4.99 105.19 105.78 1hro n GLY 49 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1hro n GLY 49 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hro s TYR 50 N -2.84 3.88 -1.04 1.61 5.04 -0.91 -4.99 117.35 118.09 1hro s TYR 50 Ca 0.00 1.68 -0.16 0.00 -2.44 0.00 0.00 57.07 56.16 1hro s TYR 50 Cb 0.00 -2.86 0.16 0.00 0.35 0.00 0.00 41.96 39.61 1hro s TYR 50 CO 0.00 0.41 1.21 1.21 -1.34 0.00 0.00 175.55 177.04 1hro s ASN 51 N -0.77 6.85 0.77 4.32 3.04 -1.26 -4.96 114.94 122.93 1hro s ASN 51 Ca 0.39 -2.55 -0.11 0.00 0.04 0.00 0.00 52.86 50.63 1hro s ASN 51 Cb -0.23 -2.37 0.06 0.00 -1.54 0.00 0.00 41.25 37.16 1hro s ASN 51 CO 0.27 -0.85 1.08 -0.31 -3.04 0.00 0.00 177.10 174.25 1hro s TYR 52 N 1.80 2.68 0.62 0.43 2.02 -1.26 -5.05 117.35 118.59 1hro s TYR 52 Ca 0.35 1.47 -0.07 0.00 -0.37 0.00 0.00 57.07 58.44 1hro s TYR 52 Cb -0.05 -3.03 0.01 0.00 -0.40 0.00 0.00 41.96 38.49 1hro s TYR 52 CO -0.06 -1.74 0.94 -1.54 -1.57 0.00 0.00 175.55 171.59 1hro s SER 53 N -3.52 5.57 0.22 2.29 1.04 -1.26 -4.95 113.70 113.09 1hro s SER 53 Ca 0.61 0.81 -0.08 0.00 0.48 0.00 0.00 55.95 57.77 1hro s SER 53 Cb -0.16 -1.76 0.19 0.00 0.10 0.00 0.00 66.02 64.38 1hro s SER 53 CO 0.56 -1.12 1.85 -0.33 0.98 0.00 0.00 173.24 175.17 1hro h GLU 54 N -0.28 1.18 0.08 4.02 3.07 -1.96 -2.28 114.58 118.41 1hro h GLU 54 Ca -0.45 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.27 1hro h GLU 54 Cb 1.25 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1hro h GLU 54 CO 0.61 0.86 -0.04 0.00 -1.40 0.00 0.00 179.01 179.04 1hro h ALA 55 N 1.25 -0.11 -0.45 3.43 0.00 -1.88 -1.10 119.26 120.40 1hro h ALA 55 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1hro h ALA 55 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1hro h ALA 55 CO -0.05 -0.52 0.30 -0.97 0.00 0.00 0.00 179.25 178.01 1hro h ASN 56 N -0.21 0.52 0.19 0.00 -0.73 -1.88 -0.16 115.58 113.32 1hro h ASN 56 Ca -0.01 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1hro h ASN 56 Cb 0.17 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1hro h ASN 56 CO 0.02 0.38 -0.09 0.40 -0.37 0.00 0.00 177.43 177.77 1hro h ILE 57 N 0.61 0.87 0.00 2.57 2.04 -1.34 -2.88 117.51 119.37 1hro h ILE 57 Ca 0.17 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1hro h ILE 57 Cb -0.07 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1hro h ILE 57 CO -0.04 0.07 -0.01 0.11 0.00 0.00 0.00 178.15 178.28 1hro h LYS 58 N -0.40 0.00 -0.59 2.37 1.57 -1.07 -3.34 116.57 115.11 1hro h LYS 58 Ca -0.03 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1hro h LYS 58 Cb 0.31 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.50 1hro h LYS 58 CO 0.04 0.01 -0.31 0.66 -0.57 0.00 0.00 179.45 179.28 1hro h SER 59 N 0.00 -1.07 0.00 0.86 4.64 -0.79 -3.46 113.55 113.73 1hro h SER 59 Ca -0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1hro h SER 59 Cb 0.33 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1hro h SER 59 CO 0.00 -0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.28 1hro n GLY 60 N -1.44 0.57 3.87 -0.77 0.00 -1.26 -5.02 105.19 101.15 1hro n GLY 60 Ca 0.05 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1hro n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hro s ILE 61 N -2.00 4.83 -0.09 -0.61 1.01 -1.26 -4.97 121.20 118.11 1hro s ILE 61 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.30 1hro s ILE 61 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1hro s ILE 61 CO 0.00 -0.19 -0.17 -0.69 0.00 0.00 0.00 174.94 173.89 1hro s VAL 62 N -1.96 1.56 -1.16 2.92 1.01 -1.26 -0.14 120.40 121.36 1hro s VAL 62 Ca 0.50 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1hro s VAL 62 Cb -0.11 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 1hro s VAL 62 CO 0.22 0.45 2.24 0.79 0.00 0.00 0.00 175.10 178.79 1hro n TRP 63 N 3.76 2.36 -2.10 5.22 5.03 0.21 -4.87 117.44 127.05 1hro n TRP 63 Ca -0.21 -2.42 -0.29 0.00 3.03 0.00 0.00 57.50 57.62 1hro n TRP 63 Cb 0.52 -2.09 0.04 0.00 -1.03 0.00 0.00 31.31 28.75 1hro n TRP 63 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1hro s THR 64 N 3.63 3.67 0.34 -0.99 -4.23 -1.26 -0.33 115.64 116.46 1hro s THR 64 Ca 0.53 0.32 0.07 0.00 -1.18 0.00 0.00 61.69 61.43 1hro s THR 64 Cb 0.14 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1hro s THR 64 CO -0.01 -0.61 1.86 -0.65 -0.54 0.00 0.00 174.62 174.67 1hro h PRO 65 N -0.43 0.74 -0.57 3.99 0.11 -1.97 -0.79 132.00 133.08 1hro h PRO 65 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1hro h PRO 65 Cb 1.25 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1hro h PRO 65 CO 0.62 0.49 0.30 0.38 -0.21 0.00 0.00 178.00 179.59 1hro h ASP 66 N 0.77 0.72 -0.07 -2.05 2.03 -1.92 -1.34 116.42 114.57 1hro h ASP 66 Ca 0.46 -0.11 -0.05 0.00 -0.73 0.00 0.00 57.03 56.61 1hro h ASP 66 Cb 0.67 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1hro h ASP 66 CO -0.22 0.62 -0.14 0.58 -1.03 0.00 0.00 179.24 179.06 1hro h VAL 67 N 0.77 1.42 -1.00 4.15 2.07 -1.67 -2.99 116.25 119.00 1hro h VAL 67 Ca 0.20 -1.45 0.12 0.00 0.82 0.00 0.00 66.70 66.39 1hro h VAL 67 Cb 0.07 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 1hro h VAL 67 CO -0.03 0.40 0.63 -0.07 0.02 0.00 0.00 177.57 178.52 1hro h LEU 68 N -0.28 0.92 -0.96 2.57 3.38 -1.15 0.06 115.31 119.84 1hro h LEU 68 Ca 0.00 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1hro h LEU 68 Cb 0.72 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1hro h LEU 68 CO 0.03 0.49 0.62 0.15 0.09 0.00 0.00 178.44 179.82 1hro h PHE 69 N 0.98 1.16 0.00 1.13 3.57 -1.10 -0.90 116.94 121.78 1hro h PHE 69 Ca 0.49 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.82 1hro h PHE 69 Cb 0.49 -0.39 0.02 0.00 2.79 0.00 0.00 35.95 38.86 1hro h PHE 69 CO -0.00 0.65 -0.79 0.87 -2.23 0.00 0.00 178.31 176.80 1hro h LYS 70 N 1.18 0.54 -0.14 1.11 1.57 -1.15 -3.29 116.57 116.40 1hro h LYS 70 Ca 0.39 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1hro h LYS 70 Cb 0.05 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1hro h LYS 70 CO -0.14 1.20 0.09 -0.92 -0.57 0.00 0.00 179.45 179.12 1hro h TYR 71 N 0.11 0.18 -0.04 -1.35 3.20 -0.87 -1.31 116.97 116.90 1hro h TYR 71 Ca -0.10 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.78 1hro h TYR 71 Cb 1.48 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 1hro h TYR 71 CO 0.13 0.14 0.03 0.82 -1.64 0.00 0.00 178.16 177.64 1hro h ILE 72 N 0.17 0.89 0.03 1.81 2.04 -1.28 -0.25 117.51 120.92 1hro h ILE 72 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1hro h ILE 72 Cb 0.01 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1hro h ILE 72 CO -0.01 0.00 -0.01 -0.08 0.00 0.00 0.00 178.15 178.05 1hro h GLU 73 N 0.00 -0.04 -2.26 2.37 4.81 -1.54 0.39 114.58 118.31 1hro h GLU 73 Ca 0.02 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.75 1hro h GLU 73 Cb 0.07 0.01 -0.35 0.00 0.63 0.00 0.00 28.75 29.11 1hro h GLU 73 CO -0.00 0.64 -0.81 -1.01 -0.73 0.00 0.00 179.01 177.10 1hro s HIS 74 N -3.12 0.38 0.23 0.92 3.76 -0.53 -3.67 115.29 113.27 1hro s HIS 74 Ca -0.16 -1.50 -0.07 0.00 -0.15 0.00 0.00 55.06 53.19 1hro s HIS 74 Cb -0.01 -0.70 0.35 0.00 1.11 0.00 0.00 32.58 33.33 1hro s HIS 74 CO 0.62 -0.89 1.78 -1.35 -0.85 0.00 0.00 174.74 174.04 1hro h PRO 75 N 6.61 0.58 0.00 8.40 0.11 -1.29 -1.16 132.00 145.25 1hro h PRO 75 Ca 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1hro h PRO 75 Cb 0.99 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1hro h PRO 75 CO 0.25 0.38 -0.10 1.96 -0.21 0.00 0.00 178.00 180.28 1hro h GLN 76 N 0.59 0.00 -0.09 1.05 1.08 -1.87 0.13 115.11 116.01 1hro h GLN 76 Ca 0.36 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.38 1hro h GLN 76 Cb 0.39 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1hro h GLN 76 CO -0.28 0.10 -0.68 0.87 -0.95 0.00 0.00 178.83 177.90 1hro h LYS 77 N 0.00 0.38 0.12 1.46 1.57 -1.59 -2.60 116.57 115.91 1hro h LYS 77 Ca -0.00 -0.29 -0.34 0.00 -1.87 0.00 0.00 60.65 58.14 1hro h LYS 77 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1hro h LYS 77 CO 0.01 0.92 -1.83 0.82 -0.57 0.00 0.00 179.45 178.80 1hro h ILE 78 N 0.27 0.81 -2.38 1.86 1.08 -1.30 -3.41 117.51 114.44 1hro h ILE 78 Ca -0.02 -2.50 -0.59 0.00 -0.39 0.00 0.00 64.86 61.36 1hro h ILE 78 Cb 1.23 2.60 -0.40 0.00 -3.07 0.00 0.00 36.82 37.18 1hro h ILE 78 CO 0.11 0.83 -0.80 0.52 -0.69 0.00 0.00 178.15 178.12 1hro n VAL 79 N -3.45 0.67 -1.69 1.67 0.31 -0.00 -5.07 118.33 110.76 1hro n VAL 79 Ca -0.26 -4.46 -0.54 0.00 -0.01 0.00 0.00 64.34 59.07 1hro n VAL 79 Cb 1.06 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 1hro n VAL 79 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1hro n PRO 80 N 1.65 1.50 -0.17 5.55 -0.02 -0.98 -0.83 135.00 141.71 1hro n PRO 80 Ca 0.25 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1hro n PRO 80 Cb 0.44 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1hro n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hro n GLY 81 N 4.42 0.60 3.73 -1.23 0.00 -1.26 -4.82 105.19 106.63 1hro n GLY 81 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1hro n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hro s THR 82 N -2.31 2.32 -2.29 2.61 -1.32 -0.01 -4.72 115.64 109.92 1hro s THR 82 Ca 0.00 0.17 0.20 0.00 -1.21 0.00 0.00 61.69 60.85 1hro s THR 82 Cb 0.00 -2.82 0.44 0.00 -1.51 0.00 0.00 72.50 68.61 1hro s THR 82 CO 0.00 -0.07 1.45 2.29 -2.21 0.00 0.00 174.62 176.08 1hro n LYS 83 N -2.47 2.13 -2.39 7.08 2.85 -1.26 -4.83 118.16 119.27 1hro n LYS 83 Ca 0.14 -1.71 -0.43 0.00 -1.05 0.00 0.00 58.31 55.26 1hro n LYS 83 Cb 0.50 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.42 1hro n LYS 83 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1hro s MET 84 N -1.57 3.52 0.06 -1.58 1.75 -1.26 -4.90 119.30 115.31 1hro s MET 84 Ca 0.35 0.78 0.15 0.00 -1.25 0.00 0.00 55.69 55.73 1hro s MET 84 Cb 0.19 -4.04 0.65 0.00 2.84 0.00 0.00 34.83 34.48 1hro s MET 84 CO 0.27 -1.64 1.48 0.41 -0.65 0.00 0.00 175.02 174.89 1hro n GLY 85 N 5.10 -1.01 3.65 2.11 0.00 -1.26 -4.88 105.19 108.90 1hro n GLY 85 Ca 0.15 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1hro n GLY 85 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1hro n TYR 86 N -1.66 2.29 0.28 1.61 9.36 -1.26 -4.87 117.16 122.91 1hro n TYR 86 Ca 0.03 -0.14 0.18 0.00 3.32 0.00 0.00 57.90 61.29 1hro n TYR 86 Cb 0.16 -2.71 0.96 0.00 -0.63 0.00 0.00 39.34 37.11 1hro n TYR 86 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1hro h PRO 87 N 10.84 0.00 0.00 2.98 0.13 -1.95 -3.43 132.00 140.56 1hro h PRO 87 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hro h PRO 87 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hro h PRO 87 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 1hro n GLY 88 N -1.27 3.16 3.23 1.56 0.00 -1.26 -4.72 105.19 105.88 1hro n GLY 88 Ca -0.01 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 1hro n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hro s GLN 89 N -2.85 2.47 0.40 1.61 2.00 0.13 -4.97 119.66 118.46 1hro s GLN 89 Ca 0.00 -1.43 0.20 0.00 -2.00 0.00 0.00 55.36 52.14 1hro s GLN 89 Cb 0.00 -3.58 0.80 0.00 0.80 0.00 0.00 33.01 31.03 1hro s GLN 89 CO 0.00 -0.85 1.79 -1.00 -0.50 0.00 0.00 175.29 174.72 1hro h PRO 90 N 8.23 0.00 -6.03 1.67 0.13 -1.88 -3.39 132.00 130.73 1hro h PRO 90 Ca -0.21 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.34 1hro h PRO 90 Cb 1.07 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 1hro h PRO 90 CO 0.67 0.32 0.67 0.34 -0.23 0.00 0.00 178.00 179.77 1hro s ASP 91 N -6.38 7.05 0.42 1.44 -1.08 -1.26 -4.91 116.67 111.96 1hro s ASP 91 Ca -0.00 1.31 0.21 0.00 -0.52 0.00 0.00 52.55 53.55 1hro s ASP 91 Cb 0.11 -2.51 0.91 0.00 -1.46 0.00 0.00 42.92 39.97 1hro s ASP 91 CO 0.67 -0.59 1.84 1.55 0.52 0.00 0.00 175.17 179.16 1hro h PRO 92 N 7.44 0.00 0.04 4.34 0.13 -1.99 -1.96 132.00 140.00 1hro h PRO 92 Ca -0.22 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.68 1hro h PRO 92 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1hro h PRO 92 CO 0.93 0.29 -1.00 0.37 -0.23 0.00 0.00 178.00 178.36 1hro h GLN 93 N 0.00 0.22 -0.04 0.86 5.75 -1.97 -1.83 115.11 118.10 1hro h GLN 93 Ca -0.00 -0.28 -0.18 0.00 -0.15 0.00 0.00 58.65 58.03 1hro h GLN 93 Cb 0.71 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1hro h GLN 93 CO 0.04 1.05 -0.77 0.87 -2.65 0.00 0.00 178.83 177.37 1hro h LYS 94 N 0.10 0.30 -0.31 1.69 1.57 -1.88 -0.17 116.57 117.86 1hro h LYS 94 Ca -0.07 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.33 1hro h LYS 94 Cb 1.68 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 1hro h LYS 94 CO 0.16 0.93 -0.26 0.00 -0.57 0.00 0.00 179.45 179.71 1hro h ARG 95 N 0.19 0.73 -0.46 3.15 3.08 -1.32 -0.53 114.38 119.21 1hro h ARG 95 Ca -0.03 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 1hro h ARG 95 Cb 1.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 1hro h ARG 95 CO 0.12 0.98 0.09 0.00 -1.07 0.00 0.00 179.97 180.10 1hro h ALA 96 N 0.73 1.30 -0.27 0.04 0.00 -1.13 -0.38 119.26 119.55 1hro h ALA 96 Ca 0.06 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1hro h ALA 96 Cb 0.82 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1hro h ALA 96 CO 0.07 0.49 -0.50 -0.44 0.00 0.00 0.00 179.25 178.87 1hro h ASP 97 N 0.68 0.90 -0.65 0.00 3.32 -0.95 -0.85 116.42 118.88 1hro h ASP 97 Ca 0.15 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1hro h ASP 97 Cb 0.28 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1hro h ASP 97 CO 0.00 1.27 0.30 0.40 -1.72 0.00 0.00 179.24 179.48 1hro h ILE 98 N 0.57 1.23 -0.33 0.35 2.04 -0.73 -1.83 117.51 118.80 1hro h ILE 98 Ca 0.01 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1hro h ILE 98 Cb 1.11 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1hro h ILE 98 CO 0.11 0.27 -0.10 0.40 0.00 0.00 0.00 178.15 178.83 1hro h ILE 99 N 0.90 1.23 -0.73 -0.67 2.04 -0.92 -1.73 117.51 117.64 1hro h ILE 99 Ca 0.22 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.10 1hro h ILE 99 Cb 0.15 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1hro h ILE 99 CO -0.02 0.34 0.45 0.00 0.00 0.00 0.00 178.15 178.91 1hro h ALA 100 N 1.38 0.96 -0.52 1.87 0.00 -0.75 -0.85 119.26 121.34 1hro h ALA 100 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1hro h ALA 100 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1hro h ALA 100 CO 0.03 0.21 -0.13 -0.92 0.00 0.00 0.00 179.25 178.43 1hro h TYR 101 N 0.86 1.12 -0.79 0.00 3.20 -0.85 -3.04 116.97 117.48 1hro h TYR 101 Ca 0.30 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 62.00 1hro h TYR 101 Cb 0.07 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 1hro h TYR 101 CO -0.05 1.05 0.51 -0.07 -1.64 0.00 0.00 178.16 177.97 1hro h LEU 102 N 0.88 0.74 -2.14 2.82 3.38 -0.43 -1.53 115.31 119.04 1hro h LEU 102 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1hro h LEU 102 Cb 0.70 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1hro h LEU 102 CO 0.05 0.48 -0.07 -0.33 0.09 0.00 0.00 178.44 178.66 1hro h GLU 103 N 0.84 0.00 0.00 1.13 5.08 -1.07 -2.27 114.58 118.29 1hro h GLU 103 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1hro h GLU 103 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1hro h GLU 103 CO -0.12 0.07 -0.08 0.25 -1.00 0.00 0.00 179.01 178.13 1hro n THR 104 N -3.62 0.04 -1.94 1.13 -2.24 -0.58 -4.41 114.28 102.67 1hro n THR 104 Ca -0.02 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1hro n THR 104 Cb 0.18 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1hro n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1hro n LEU 105 N -1.56 7.66 0.00 3.22 4.77 -0.86 -5.06 117.00 125.17 1hro n LEU 105 Ca 0.07 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.40 1hro n LEU 105 Cb 0.35 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1hro n LEU 105 CO 0.29 1.77 0.00 2.29 -1.33 0.00 0.00 177.39 180.40