#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby n GLU 2 N 0.00 0.69 -2.15 3.17 0.00 -1.26 -3.92 120.64 117.17 1dby n GLU 2 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 57.16 56.98 1dby n GLU 2 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 31.44 29.86 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dby s ALA 3 N -0.62 3.61 0.72 -1.84 0.00 -1.26 -4.53 121.76 117.85 1dby s ALA 3 Ca 0.69 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1dby s ALA 3 Cb -0.90 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 18.57 1dby s ALA 3 CO 0.56 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1dby n GLY 4 N 3.82 -0.26 3.19 0.00 0.00 -0.04 -4.82 105.19 107.08 1dby n GLY 4 Ca 0.15 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 1dby n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 5 N -3.44 1.54 0.16 4.61 0.00 -1.26 -1.12 121.76 122.25 1dby s ALA 5 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1dby s ALA 5 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1dby s ALA 5 CO 0.00 0.37 0.04 0.14 0.00 0.00 0.00 175.76 176.31 1dby s VAL 6 N -0.53 0.34 0.32 0.00 -7.23 0.06 -4.85 120.40 108.52 1dby s VAL 6 Ca 0.07 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1dby s VAL 6 Cb -0.07 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1dby s VAL 6 CO -0.00 -0.41 0.42 0.20 -0.31 0.00 0.00 175.10 175.00 1dby s ASN 7 N -3.12 0.83 0.18 4.85 -0.87 -1.26 -3.72 114.94 111.83 1dby s ASN 7 Ca 0.26 -1.45 -0.25 0.00 -1.57 0.00 0.00 52.86 49.84 1dby s ASN 7 Cb 0.07 0.62 0.04 0.00 -0.02 0.00 0.00 41.25 41.95 1dby s ASN 7 CO 0.04 -1.21 1.49 -0.67 -2.57 0.00 0.00 177.10 174.18 1dby n ASP 8 N -1.21 -0.89 0.32 -1.22 -0.08 -1.26 -0.28 116.55 111.94 1dby n ASP 8 Ca 0.02 1.71 -0.18 0.00 -1.51 0.00 0.00 54.79 54.82 1dby n ASP 8 Cb 0.62 -0.28 -0.09 0.00 2.34 0.00 0.00 41.12 43.71 1dby n ASP 8 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1dby h ASP 9 N 0.00 -1.16 -0.16 1.67 5.19 -1.99 -3.11 116.42 116.85 1dby h ASP 9 Ca 0.22 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.61 1dby h ASP 9 Cb 0.46 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1dby h ASP 9 CO -0.92 -0.64 -0.21 0.71 -3.12 0.00 0.00 179.24 175.06 1dby h THR 10 N -0.98 1.26 -0.78 0.35 1.35 -1.82 -3.10 112.91 109.19 1dby h THR 10 Ca -0.07 -1.25 0.18 0.00 -0.55 0.00 0.00 66.41 64.73 1dby h THR 10 Cb 0.83 1.25 -0.13 0.00 -1.73 0.00 0.00 68.15 68.37 1dby h THR 10 CO 0.01 0.41 0.03 0.15 -0.25 0.00 0.00 175.52 175.86 1dby h PHE 11 N 0.53 -0.01 -0.28 4.73 3.57 -0.57 0.15 116.94 125.06 1dby h PHE 11 Ca 0.08 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1dby h PHE 11 Cb 0.66 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 1dby h PHE 11 CO 0.03 -0.24 -0.35 0.87 -2.23 0.00 0.00 178.31 176.39 1dby h LYS 12 N 0.11 -0.33 0.55 1.11 1.79 -1.54 0.39 116.57 118.65 1dby h LYS 12 Ca 0.43 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 1dby h LYS 12 Cb 0.78 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1dby h LYS 12 CO -0.67 -0.22 -0.26 -0.91 -1.08 0.00 0.00 179.45 176.30 1dby h ASN 13 N -0.34 -0.62 0.30 0.86 -0.26 -1.29 0.92 115.58 115.16 1dby h ASN 13 Ca 0.13 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1dby h ASN 13 Cb 0.56 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1dby h ASN 13 CO -0.46 -0.32 -0.18 0.58 -1.06 0.00 0.00 177.43 175.99 1dby h VAL 14 N -1.00 0.88 0.00 2.81 2.07 -0.73 -3.22 116.25 117.06 1dby h VAL 14 Ca -0.08 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1dby h VAL 14 Cb 0.57 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1dby h VAL 14 CO 0.12 0.18 0.00 0.52 0.02 0.00 0.00 177.57 178.41 1dby n VAL 15 N -3.96 0.00 -0.30 2.57 0.31 0.13 -4.49 118.33 112.60 1dby n VAL 15 Ca -0.02 0.06 0.04 0.00 -0.01 0.00 0.00 64.34 64.41 1dby n VAL 15 Cb 0.27 -0.87 0.18 0.00 -0.91 0.00 0.00 33.84 32.51 1dby n VAL 15 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1dby h LEU 16 N 0.00 0.66 -2.39 7.52 3.38 -1.01 -0.01 115.31 123.46 1dby h LEU 16 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dby h LEU 16 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dby h LEU 16 CO 0.00 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 178.27 1dby n GLU 17 N -4.76 3.11 -2.44 1.13 1.02 0.28 -4.22 120.64 114.76 1dby n GLU 17 Ca 0.15 -1.94 -0.35 0.00 -0.02 0.00 0.00 57.16 55.00 1dby n GLU 17 Cb 0.31 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1dby n GLU 17 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1dby s SER 18 N -0.65 6.14 -0.16 1.62 1.04 -0.02 -4.86 113.70 116.82 1dby s SER 18 Ca 0.34 2.03 -0.12 0.00 0.48 0.00 0.00 55.95 58.68 1dby s SER 18 Cb 0.24 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1dby s SER 18 CO 0.14 -0.92 -0.18 -1.54 0.98 0.00 0.00 173.24 171.71 1dby n SER 19 N -1.02 1.84 -4.86 7.02 3.41 -1.26 -1.36 113.62 117.40 1dby n SER 19 Ca 0.10 0.55 -0.30 0.00 -0.26 0.00 0.00 58.87 58.95 1dby n SER 19 Cb 0.52 -0.85 0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1dby n SER 19 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1dby s VAL 20 N -2.40 3.79 1.03 -3.33 -7.23 -1.26 -4.35 120.40 106.66 1dby s VAL 20 Ca -0.20 0.58 -0.14 0.00 -1.81 0.00 0.00 61.98 60.42 1dby s VAL 20 Cb 0.03 -3.51 0.12 0.00 0.56 0.00 0.00 36.38 33.59 1dby s VAL 20 CO 0.31 -0.76 0.54 -2.65 -0.31 0.00 0.00 175.10 172.22 1dby n PRO 21 N -3.02 -1.09 -3.82 4.82 -0.02 -1.06 -4.33 135.00 126.48 1dby n PRO 21 Ca 0.07 -0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.15 1dby n PRO 21 Cb 0.56 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 1dby n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dby s VAL 22 N -2.40 0.03 -0.36 -1.45 1.01 0.40 -0.67 120.40 116.96 1dby s VAL 22 Ca 0.61 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1dby s VAL 22 Cb -0.20 -0.36 0.11 0.00 0.00 0.00 0.00 36.38 35.94 1dby s VAL 22 CO 0.65 -0.15 0.12 -0.22 0.00 0.00 0.00 175.10 175.50 1dby s LEU 23 N -0.51 3.32 -0.28 3.92 0.20 0.07 -0.44 118.68 124.96 1dby s LEU 23 Ca -0.06 -2.10 -0.16 0.00 0.69 0.00 0.00 54.13 52.51 1dby s LEU 23 Cb -0.04 -1.21 -0.03 0.00 -0.43 0.00 0.00 46.19 44.48 1dby s LEU 23 CO 0.01 -0.36 0.41 -0.69 -0.29 0.00 0.00 176.35 175.42 1dby s VAL 24 N 1.00 5.15 -0.40 1.68 1.01 0.34 0.02 120.40 129.20 1dby s VAL 24 Ca 0.12 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1dby s VAL 24 Cb -0.20 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1dby s VAL 24 CO -0.13 0.11 0.53 -0.62 0.00 0.00 0.00 175.10 174.99 1dby s ASP 25 N 1.63 6.27 -0.46 3.32 2.15 0.61 -0.44 116.67 129.76 1dby s ASP 25 Ca 0.16 -0.36 -0.29 0.00 0.43 0.00 0.00 52.55 52.50 1dby s ASP 25 Cb -0.16 -2.27 0.02 0.00 -0.30 0.00 0.00 42.92 40.22 1dby s ASP 25 CO 0.10 -0.61 1.22 -0.36 -0.17 0.00 0.00 175.17 175.36 1dby s PHE 26 N 2.44 2.68 0.07 -5.34 0.40 0.14 -0.60 117.98 117.76 1dby s PHE 26 Ca 0.18 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.20 1dby s PHE 26 Cb -0.16 -4.41 -0.00 0.00 0.51 0.00 0.00 43.02 38.96 1dby s PHE 26 CO 0.15 -1.50 0.01 -2.67 0.70 0.00 0.00 175.22 171.91 1dby n TRP 27 N 8.17 0.12 -3.59 0.36 4.27 0.28 -3.21 117.44 123.84 1dby n TRP 27 Ca 0.13 -0.38 -0.08 0.00 -3.89 0.00 0.00 57.50 53.29 1dby n TRP 27 Cb 0.49 -0.03 -0.04 0.00 -1.36 0.00 0.00 31.31 30.36 1dby n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby s ALA 28 N -2.14 -1.98 0.43 -1.67 0.00 -1.26 -0.30 121.76 114.83 1dby s ALA 28 Ca 0.01 1.63 0.11 0.00 0.00 0.00 0.00 51.96 53.71 1dby s ALA 28 Cb 0.00 -0.80 0.97 0.00 0.00 0.00 0.00 23.12 23.29 1dby s ALA 28 CO 0.01 -0.34 2.04 -1.00 0.00 0.00 0.00 175.76 176.47 1dby h PRO 29 N 2.36 0.43 0.00 0.00 0.13 -2.01 0.89 132.00 133.79 1dby h PRO 29 Ca -0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1dby h PRO 29 Cb 1.17 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dby h PRO 29 CO 0.28 0.28 0.00 -2.67 -0.23 0.00 0.00 178.00 175.66 1dby n TRP 30 N -4.48 0.76 -2.71 1.56 4.27 -1.26 -4.51 117.44 111.08 1dby n TRP 30 Ca 0.05 0.26 -0.43 0.00 -3.89 0.00 0.00 57.50 53.50 1dby n TRP 30 Cb 0.19 -0.93 -0.01 0.00 -1.36 0.00 0.00 31.31 29.21 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby h GLY 32 N 11.65 -0.57 0.78 0.00 0.00 -1.82 -0.45 103.07 112.66 1dby h GLY 32 Ca 0.34 0.69 0.06 0.00 0.00 0.00 0.00 47.33 48.42 1dby h GLY 32 CO 1.36 -0.06 0.63 -0.56 0.00 0.00 0.00 176.54 177.91 1dby h PRO 33 N -0.07 1.13 0.12 4.80 0.13 -1.91 -1.39 132.00 134.82 1dby h PRO 33 Ca 0.20 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1dby h PRO 33 Cb 0.50 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1dby h PRO 33 CO -0.89 0.75 -0.12 0.00 -0.23 0.00 0.00 178.00 177.52 1dby h ARG 35 N -0.26 0.16 0.00 0.00 3.08 -0.55 0.21 114.38 117.01 1dby h ARG 35 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1dby h ARG 35 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1dby h ARG 35 CO -0.03 0.11 -0.16 -0.84 -1.07 0.00 0.00 179.97 177.97 1dby h ILE 36 N 0.16 0.34 0.11 2.04 -0.00 -1.08 -3.14 117.51 115.95 1dby h ILE 36 Ca 0.15 -1.12 -0.28 0.00 -0.00 0.00 0.00 64.86 63.61 1dby h ILE 36 Cb 0.17 1.86 -0.00 0.00 -0.00 0.00 0.00 36.82 38.85 1dby h ILE 36 CO -0.21 0.16 -1.32 0.40 -0.00 0.00 0.00 178.15 177.18 1dby h ILE 37 N 0.00 1.39 -1.00 0.16 1.08 -0.32 -3.39 117.51 115.43 1dby h ILE 37 Ca -0.00 -3.01 0.30 0.00 -0.39 0.00 0.00 64.86 61.76 1dby h ILE 37 Cb 0.85 2.86 -0.19 0.00 -3.07 0.00 0.00 36.82 37.28 1dby h ILE 37 CO 0.02 0.87 0.11 0.00 -0.69 0.00 0.00 178.15 178.46 1dby h ALA 38 N 0.61 1.35 -0.81 1.87 0.00 -0.56 0.34 119.26 122.05 1dby h ALA 38 Ca -0.16 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1dby h ALA 38 Cb 1.97 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 20.28 1dby h ALA 38 CO 0.18 -0.64 0.38 -1.35 0.00 0.00 0.00 179.25 177.81 1dby h PRO 39 N 0.00 1.17 -0.10 0.00 0.11 -1.75 -0.03 132.00 131.40 1dby h PRO 39 Ca 0.65 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 1dby h PRO 39 Cb 1.42 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dby h PRO 39 CO -0.91 0.91 0.04 0.28 -0.21 0.00 0.00 178.00 178.12 1dby h VAL 40 N 1.15 1.13 -0.31 3.15 2.07 -0.66 0.22 116.25 123.01 1dby h VAL 40 Ca 0.28 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1dby h VAL 40 Cb 0.13 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1dby h VAL 40 CO -0.03 0.12 -0.16 0.58 0.02 0.00 0.00 177.57 178.10 1dby h VAL 41 N 0.01 0.52 0.71 2.57 2.07 -0.73 -0.84 116.25 120.56 1dby h VAL 41 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1dby h VAL 41 Cb 0.15 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1dby h VAL 41 CO -0.00 0.00 -0.34 -0.78 0.02 0.00 0.00 177.57 176.46 1dby h ASP 42 N -0.12 -0.81 -0.67 0.57 3.58 -0.68 -0.83 116.42 117.45 1dby h ASP 42 Ca 0.16 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.65 1dby h ASP 42 Cb 0.36 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 1dby h ASP 42 CO -0.38 -0.52 0.41 1.05 -2.88 0.00 0.00 179.24 176.91 1dby h GLU 43 N -1.06 0.76 -0.24 0.28 4.11 -0.85 0.34 114.58 117.92 1dby h GLU 43 Ca -0.10 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.33 1dby h GLU 43 Cb 0.76 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1dby h GLU 43 CO 0.16 0.50 -0.01 0.82 0.07 0.00 0.00 179.01 180.56 1dby h ILE 44 N 0.78 0.83 -0.60 -1.06 2.04 -1.15 0.09 117.51 118.44 1dby h ILE 44 Ca 0.28 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.16 1dby h ILE 44 Cb 0.07 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1dby h ILE 44 CO -0.13 0.01 0.39 0.00 0.00 0.00 0.00 178.15 178.43 1dby h ALA 45 N 1.21 1.71 -0.14 1.87 0.00 0.32 -0.24 119.26 123.98 1dby h ALA 45 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1dby h ALA 45 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dby h ALA 45 CO -0.19 0.22 0.06 0.78 0.00 0.00 0.00 179.25 180.11 1dby h GLY 46 N 0.67 0.18 0.52 0.00 0.00 0.96 0.43 103.07 105.83 1dby h GLY 46 Ca 0.24 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1dby h GLY 46 CO -0.07 0.03 0.09 0.83 0.00 0.00 0.00 176.54 177.42 1dby h GLU 47 N 0.13 0.22 -2.79 4.80 5.08 0.35 -2.75 114.58 119.61 1dby h GLU 47 Ca 0.06 -0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.75 1dby h GLU 47 Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1dby h GLU 47 CO -0.05 0.14 3.06 0.66 -1.00 0.00 0.00 179.01 181.82 1dby n TYR 48 N -5.09 2.31 -1.16 4.33 4.01 -0.24 -4.95 117.16 116.37 1dby n TYR 48 Ca 0.03 -2.88 -0.34 0.00 -0.16 0.00 0.00 57.90 54.54 1dby n TYR 48 Cb 0.18 -2.20 0.12 0.00 -0.31 0.00 0.00 39.34 37.12 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1dby n LYS 49 N 2.85 0.25 0.00 -0.72 -0.00 -1.04 -0.24 118.16 119.27 1dby n LYS 49 Ca 0.71 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 1dby n LYS 49 Cb 0.29 -2.37 0.00 0.00 -0.00 0.00 0.00 35.03 32.95 1dby n LYS 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dby n ASP 50 N -2.81 0.00 -0.07 -5.58 8.00 -1.26 -4.26 116.55 110.57 1dby n ASP 50 Ca 0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.52 1dby n ASP 50 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.52 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dby h LYS 51 N 0.00 0.00 -6.22 -1.24 1.57 -1.93 -3.44 116.57 105.32 1dby h LYS 51 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1dby h LYS 51 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1dby h LYS 51 CO 0.00 0.68 1.02 -1.17 -0.57 0.00 0.00 179.45 179.41 1dby s LEU 52 N -8.23 3.35 -1.09 2.94 2.96 -1.02 -2.55 118.68 115.04 1dby s LEU 52 Ca -0.16 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 52.94 1dby s LEU 52 Cb -0.00 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.20 1dby s LEU 52 CO 0.47 -1.76 1.54 -0.75 -1.32 0.00 0.00 176.35 174.53 1dby s LYS 53 N 5.46 3.66 0.50 1.98 2.36 0.16 0.37 119.74 134.22 1dby s LYS 53 Ca 0.34 -1.32 -0.18 0.00 -2.55 0.00 0.00 55.97 52.25 1dby s LYS 53 Cb -0.09 -5.40 -0.08 0.00 -1.05 0.00 0.00 37.83 31.21 1dby s LYS 53 CO 0.13 -2.27 0.99 0.00 1.55 0.00 0.00 175.35 175.75 1dby s VAL 55 N -2.35 0.01 -0.10 0.00 1.01 0.10 -0.86 120.40 118.21 1dby s VAL 55 Ca 0.62 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1dby s VAL 55 Cb -0.12 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1dby s VAL 55 CO 0.25 -0.04 -0.07 -0.54 0.00 0.00 0.00 175.10 174.69 1dby s LYS 56 N -3.88 1.41 -0.25 2.72 1.02 -0.27 -0.28 119.74 120.21 1dby s LYS 56 Ca 0.09 -0.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.80 1dby s LYS 56 Cb -0.03 -1.47 -0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1dby s LYS 56 CO -0.00 -0.24 0.04 -1.17 -0.92 0.00 0.00 175.35 173.06 1dby s LEU 57 N 1.61 3.35 -0.32 3.17 2.96 0.23 -0.76 118.68 128.92 1dby s LEU 57 Ca 0.02 -0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 1dby s LEU 57 Cb -0.13 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1dby s LEU 57 CO -0.06 -0.06 1.43 0.21 -1.32 0.00 0.00 176.35 176.54 1dby s ASN 58 N 1.55 6.45 0.36 3.68 3.84 -1.24 -0.55 114.94 129.02 1dby s ASN 58 Ca 0.05 1.16 0.15 0.00 0.21 0.00 0.00 52.86 54.43 1dby s ASN 58 Cb -0.15 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 38.69 1dby s ASN 58 CO 0.01 -1.28 1.77 0.74 -2.79 0.00 0.00 177.10 175.55 1dby h THR 59 N 6.22 1.15 0.04 -5.21 2.02 -0.91 0.33 112.91 116.56 1dby h THR 59 Ca -0.29 -1.50 -0.26 0.00 0.77 0.00 0.00 66.41 65.13 1dby h THR 59 Cb 1.12 1.84 0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1dby h THR 59 CO 1.05 0.41 -1.05 -0.78 0.37 0.00 0.00 175.52 175.51 1dby h ASP 60 N 0.00 0.85 1.08 4.18 1.82 -1.90 -2.31 116.42 120.15 1dby h ASP 60 Ca -0.00 -0.77 -0.17 0.00 -0.39 0.00 0.00 57.03 55.69 1dby h ASP 60 Cb 0.81 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1dby h ASP 60 CO 0.05 1.52 -0.96 -0.08 -1.61 0.00 0.00 179.24 178.17 1dby h GLU 61 N 0.28 0.00 -2.10 0.28 4.81 -1.91 -3.38 114.58 112.57 1dby h GLU 61 Ca -0.14 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.55 1dby h GLU 61 Cb 1.72 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.70 1dby h GLU 61 CO 0.20 0.61 -0.97 0.43 -0.73 0.00 0.00 179.01 178.56 1dby n SER 62 N -3.18 2.09 0.05 1.04 7.64 0.11 -4.82 113.62 116.55 1dby n SER 62 Ca -0.03 -3.21 -0.03 0.00 1.01 0.00 0.00 58.87 56.62 1dby n SER 62 Cb 0.85 -0.61 0.21 0.00 -1.01 0.00 0.00 64.21 63.66 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dby h PRO 63 N 3.22 0.37 0.00 1.43 0.13 -1.59 -3.35 132.00 132.21 1dby h PRO 63 Ca 0.11 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1dby h PRO 63 Cb 0.79 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1dby h PRO 63 CO 0.62 0.66 0.00 0.09 -0.23 0.00 0.00 178.00 179.14 1dby n ASN 64 N -4.08 0.00 -0.02 1.44 4.13 -1.26 0.19 115.26 115.66 1dby n ASN 64 Ca -0.01 0.41 -0.04 0.00 1.68 0.00 0.00 54.58 56.62 1dby n ASN 64 Cb 0.44 -0.16 0.18 0.00 -1.54 0.00 0.00 39.78 38.70 1dby n ASN 64 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1dby h VAL 65 N 0.00 1.26 -0.91 2.41 -1.51 -1.98 -1.19 116.25 114.33 1dby h VAL 65 Ca 0.00 -1.23 0.08 0.00 -1.23 0.00 0.00 66.70 64.32 1dby h VAL 65 Cb 0.00 1.25 -0.07 0.00 -2.13 0.00 0.00 31.29 30.34 1dby h VAL 65 CO 0.00 0.40 0.56 0.00 -1.23 0.00 0.00 177.57 177.30 1dby h ALA 66 N 1.27 1.28 -0.14 5.19 0.00 -1.28 0.11 119.26 125.69 1dby h ALA 66 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1dby h ALA 66 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dby h ALA 66 CO 0.05 0.28 -0.06 0.77 0.00 0.00 0.00 179.25 180.28 1dby h SER 67 N 0.99 0.29 -0.74 0.00 0.02 0.54 0.28 113.55 114.93 1dby h SER 67 Ca 0.41 -0.41 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1dby h SER 67 Cb 0.25 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 1dby h SER 67 CO -0.20 0.63 0.41 -0.33 -1.14 0.00 0.00 176.83 176.20 1dby h GLU 68 N -0.06 0.70 0.09 3.45 5.08 -0.54 -2.64 114.58 120.67 1dby h GLU 68 Ca 0.03 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 1dby h GLU 68 Cb 0.52 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1dby h GLU 68 CO 0.02 0.47 -1.13 1.88 -1.00 0.00 0.00 179.01 179.24 1dby h TYR 69 N 0.73 0.49 -0.24 4.33 0.05 -0.73 -3.49 116.97 118.11 1dby h TYR 69 Ca 0.34 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1dby h TYR 69 Cb 0.27 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1dby h TYR 69 CO -0.08 1.22 0.00 0.41 -1.05 0.00 0.00 178.16 178.66 1dby n GLY 70 N 1.33 0.76 3.32 3.88 0.00 0.47 -5.09 105.19 109.86 1dby n GLY 70 Ca -0.07 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1dby n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dby s ILE 71 N -1.76 1.97 0.23 -0.61 1.01 0.69 -5.02 121.20 117.71 1dby s ILE 71 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1dby s ILE 71 Cb 0.00 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1dby s ILE 71 CO 0.00 0.21 0.00 -1.14 0.00 0.00 0.00 174.94 174.01 1dby n ARG 72 N 1.54 0.00 -1.97 2.79 3.00 -1.26 -4.41 116.66 116.34 1dby n ARG 72 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.29 1dby n ARG 72 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.00 1dby n ARG 72 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1dby s SER 73 N -3.18 5.85 0.05 6.15 0.01 -1.26 -5.04 113.70 116.29 1dby s SER 73 Ca 0.00 2.64 -0.05 0.00 1.31 0.00 0.00 55.95 59.85 1dby s SER 73 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 1dby s SER 73 CO 0.00 -1.16 0.09 0.27 0.41 0.00 0.00 173.24 172.85 1dby s ILE 74 N -1.34 0.15 0.37 1.44 -4.36 -1.26 -4.40 121.20 111.80 1dby s ILE 74 Ca 0.64 -1.22 -0.27 0.00 -0.26 0.00 0.00 60.65 59.54 1dby s ILE 74 Cb -0.37 -1.05 -0.09 0.00 1.25 0.00 0.00 42.46 42.20 1dby s ILE 74 CO 0.46 -0.67 1.28 -2.16 0.24 0.00 0.00 174.94 174.09 1dby s PRO 75 N -2.98 4.17 -0.29 0.37 0.04 -1.26 -4.80 135.00 130.25 1dby s PRO 75 Ca -0.02 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.13 1dby s PRO 75 Cb 0.01 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.75 1dby s PRO 75 CO -0.06 -0.32 0.10 0.99 0.04 0.00 0.00 177.00 177.75 1dby s THR 76 N -1.23 0.64 -0.56 1.26 2.01 -1.20 -0.62 115.64 115.95 1dby s THR 76 Ca 0.53 -1.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 1dby s THR 76 Cb -0.38 -1.45 0.11 0.00 0.01 0.00 0.00 72.50 70.80 1dby s THR 76 CO 0.49 -0.63 0.60 -0.63 -0.69 0.00 0.00 174.62 173.76 1dby s ILE 77 N 1.75 5.00 0.24 1.82 1.01 0.72 -0.69 121.20 131.05 1dby s ILE 77 Ca 0.08 -1.18 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 1dby s ILE 77 Cb -0.17 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 1dby s ILE 77 CO -0.26 -0.98 0.64 -0.04 0.00 0.00 0.00 174.94 174.30 1dby s MET 78 N 2.19 3.97 -0.05 2.79 -1.94 0.42 -0.51 119.30 126.17 1dby s MET 78 Ca 0.08 0.54 0.04 0.00 -1.71 0.00 0.00 55.69 54.64 1dby s MET 78 Cb -0.26 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.88 1dby s MET 78 CO 0.05 0.31 -0.15 0.08 -0.01 0.00 0.00 175.02 175.30 1dby s VAL 79 N -1.75 2.99 0.03 -6.03 1.01 0.35 -0.50 120.40 116.49 1dby s VAL 79 Ca 0.47 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1dby s VAL 79 Cb -0.12 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1dby s VAL 79 CO 0.19 0.59 -0.15 -0.36 0.00 0.00 0.00 175.10 175.37 1dby s PHE 80 N -0.66 1.31 -0.14 5.22 0.40 0.42 -0.14 117.98 124.38 1dby s PHE 80 Ca 0.10 -0.33 0.18 0.00 -0.60 0.00 0.00 56.93 56.27 1dby s PHE 80 Cb -0.11 -0.79 -0.26 0.00 0.51 0.00 0.00 43.02 42.38 1dby s PHE 80 CO 0.01 0.03 0.18 0.36 0.70 0.00 0.00 175.22 176.50 1dby n LYS 81 N 2.04 0.83 -2.68 0.44 0.00 -1.04 -0.46 118.16 117.30 1dby n LYS 81 Ca -0.17 -0.06 0.01 0.00 -0.00 0.00 0.00 58.31 58.09 1dby n LYS 81 Cb 0.55 -1.48 0.01 0.00 -0.00 0.00 0.00 35.03 34.11 1dby n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1dby s GLY 82 N -5.03 -1.69 0.00 2.58 0.00 -1.26 -2.69 107.32 99.24 1dby s GLY 82 Ca -0.09 1.33 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1dby s GLY 82 CO 0.79 4.43 0.00 0.61 0.00 0.00 0.00 173.10 178.93 1dby n GLY 83 N 3.35 1.36 3.84 0.20 0.00 -0.46 -4.88 105.19 108.60 1dby n GLY 83 Ca 0.06 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1dby n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dby s LYS 84 N 0.00 3.93 0.71 1.61 -0.14 -1.26 -4.03 119.74 120.55 1dby s LYS 84 Ca 0.00 0.95 -0.12 0.00 -1.36 0.00 0.00 55.97 55.44 1dby s LYS 84 Cb 0.00 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1dby s LYS 84 CO 0.00 -0.29 1.09 0.21 -0.76 0.00 0.00 175.35 175.60 1dby s LYS 85 N -4.10 2.65 0.14 1.68 2.20 -1.26 -2.48 119.74 118.56 1dby s LYS 85 Ca 0.59 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1dby s LYS 85 Cb -0.10 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1dby s LYS 85 CO 0.32 -1.34 0.00 0.00 -0.36 0.00 0.00 175.35 173.97 1dby s GLU 87 N -2.00 1.71 -0.23 0.00 0.41 -1.15 -5.01 118.70 112.43 1dby s GLU 87 Ca 0.00 -1.90 -0.15 0.00 -0.41 0.00 0.00 54.97 52.51 1dby s GLU 87 Cb 0.00 0.34 0.07 0.00 -1.78 0.00 0.00 34.13 32.76 1dby s GLU 87 CO 0.00 -0.64 0.58 0.99 -0.49 0.00 0.00 175.26 175.69 1dby s THR 88 N -3.47 -0.01 -0.00 3.63 2.01 -1.26 -0.50 115.64 116.04 1dby s THR 88 Ca 0.38 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1dby s THR 88 Cb 0.02 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1dby s THR 88 CO 0.24 0.01 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.51 1dby s ILE 89 N 1.20 3.89 0.01 1.82 1.01 0.34 -4.97 121.20 124.50 1dby s ILE 89 Ca -0.07 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1dby s ILE 89 Cb -0.06 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1dby s ILE 89 CO -0.12 0.39 -0.13 -0.63 0.00 0.00 0.00 174.94 174.45 1dby s ILE 90 N -1.03 1.05 0.00 2.92 1.01 -1.26 -0.20 121.20 123.68 1dby s ILE 90 Ca 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1dby s ILE 90 Cb -0.11 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1dby s ILE 90 CO 0.08 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1dby n GLY 91 N 2.38 -1.60 3.74 6.18 0.00 0.21 -4.94 105.19 111.17 1dby n GLY 91 Ca -0.16 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 92 N -1.64 2.20 0.06 4.61 0.00 -1.26 -4.78 121.76 120.95 1dby s ALA 92 Ca 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1dby s ALA 92 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1dby s ALA 92 CO 0.00 -1.73 0.29 0.08 0.00 0.00 0.00 175.76 174.40 1dby s VAL 93 N -2.35 0.09 0.17 0.00 1.01 -1.26 -5.15 120.40 112.92 1dby s VAL 93 Ca 0.68 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1dby s VAL 93 Cb -0.23 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 1dby s VAL 93 CO 0.47 -0.43 0.82 -2.84 0.00 0.00 0.00 175.10 173.12 1dby s PRO 94 N -3.00 4.64 0.26 2.72 0.02 -1.26 -4.94 135.00 133.43 1dby s PRO 94 Ca -0.02 1.24 -0.03 0.00 0.02 0.00 0.00 61.00 62.21 1dby s PRO 94 Cb 0.01 -3.28 0.52 0.00 0.02 0.00 0.00 34.50 31.77 1dby s PRO 94 CO -0.06 0.52 1.68 -0.22 -0.33 0.00 0.00 177.00 178.59 1dby h LYS 95 N 4.44 0.27 -0.64 5.54 3.64 -1.99 0.08 116.57 127.91 1dby h LYS 95 Ca -0.46 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.01 1dby h LYS 95 Cb 1.20 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 1dby h LYS 95 CO 0.67 0.18 0.22 0.00 -2.27 0.00 0.00 179.45 178.25 1dby h ALA 96 N 1.65 0.83 -0.27 5.00 0.00 -1.99 0.17 119.26 124.64 1dby h ALA 96 Ca 0.45 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1dby h ALA 96 Cb 0.80 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1dby h ALA 96 CO -0.53 -0.22 0.05 1.15 0.00 0.00 0.00 179.25 179.69 1dby h THR 97 N 0.38 1.23 0.01 0.00 2.02 -1.40 -1.37 112.91 113.78 1dby h THR 97 Ca 0.33 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1dby h THR 97 Cb 0.45 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1dby h THR 97 CO -0.35 0.25 -0.16 0.40 0.37 0.00 0.00 175.52 176.03 1dby h ILE 98 N 0.27 0.61 -0.17 3.11 2.04 -0.58 0.13 117.51 122.92 1dby h ILE 98 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1dby h ILE 98 Cb 0.33 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1dby h ILE 98 CO 0.01 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 178.25 1dby h VAL 99 N -0.27 0.07 -0.33 1.67 2.07 -0.60 0.15 116.25 119.00 1dby h VAL 99 Ca 0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1dby h VAL 99 Cb 0.33 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1dby h VAL 99 CO -0.15 0.00 0.15 -0.61 0.02 0.00 0.00 177.57 176.98 1dby h GLN 100 N -0.52 0.31 -0.73 1.57 -0.00 -0.90 0.18 115.11 115.02 1dby h GLN 100 Ca 0.06 -0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.77 1dby h GLN 100 Cb 0.65 -0.07 -0.06 0.00 0.00 0.00 0.00 27.48 28.00 1dby h GLN 100 CO -0.44 0.20 0.41 1.15 0.00 0.00 0.00 178.83 180.15 1dby h THR 101 N 0.32 0.94 0.17 2.39 2.02 -0.28 -0.59 112.91 117.88 1dby h THR 101 Ca 0.14 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1dby h THR 101 Cb 0.07 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1dby h THR 101 CO -0.11 0.13 -0.08 0.58 0.37 0.00 0.00 175.52 176.41 1dby h VAL 102 N 0.73 0.92 -0.54 3.16 2.07 0.07 -3.22 116.25 119.43 1dby h VAL 102 Ca 0.34 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1dby h VAL 102 Cb 0.26 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 1dby h VAL 102 CO -0.21 0.10 0.10 -0.33 0.02 0.00 0.00 177.57 177.24 1dby h GLU 103 N -0.42 0.22 0.00 1.57 5.08 -0.38 0.14 114.58 120.79 1dby h GLU 103 Ca -0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1dby h GLU 103 Cb 0.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1dby h GLU 103 CO 0.04 0.15 -0.01 1.57 -1.00 0.00 0.00 179.01 179.75 1dby h LYS 104 N 0.23 0.00 0.07 2.33 2.10 -1.16 -1.00 116.57 119.13 1dby h LYS 104 Ca 0.28 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.62 1dby h LYS 104 Cb 0.39 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.70 1dby h LYS 104 CO -0.37 0.01 -1.66 0.66 -2.00 0.00 0.00 179.45 176.10 1dby n TYR 105 N -3.62 1.15 0.00 0.07 4.01 0.05 -4.86 117.16 113.97 1dby n TYR 105 Ca -0.03 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1dby n TYR 105 Cb 0.10 -1.13 0.00 0.00 -0.31 0.00 0.00 39.34 37.99 1dby n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dby n LEU 106 N -3.94 0.00 0.00 7.72 4.32 0.26 -5.12 117.00 120.24 1dby n LEU 106 Ca -0.32 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 1dby n LEU 106 Cb 0.88 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.68 1dby n LEU 106 CO 0.31 0.00 0.00 -3.20 -1.22 0.00 0.00 177.39 173.28