#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 1.67 -1.84 3.17 4.71 -1.26 -4.94 120.64 122.15 1dby n GLU 2 Ca 0.00 0.02 -0.30 0.00 -0.01 0.00 0.00 57.16 56.87 1dby n GLU 2 Cb 0.00 -1.17 -0.04 0.00 -1.01 0.00 0.00 31.44 29.22 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dby s ALA 3 N -2.16 1.64 1.02 0.62 0.00 -1.25 -4.21 121.76 117.42 1dby s ALA 3 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1dby s ALA 3 Cb 0.02 -4.43 0.07 0.00 0.00 0.00 0.00 23.12 18.78 1dby s ALA 3 CO 0.23 -4.64 0.34 0.41 0.00 0.00 0.00 175.76 172.10 1dby n GLY 4 N 6.27 -1.69 3.18 0.00 0.00 -0.11 -4.78 105.19 108.05 1dby n GLY 4 Ca 0.34 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.64 1.50 0.17 4.61 0.00 -1.26 -0.23 121.76 122.91 1dby s ALA 5 Ca 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1dby s ALA 5 Cb -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1dby s ALA 5 CO 0.14 0.36 0.09 0.14 0.00 0.00 0.00 175.76 176.50 1dby s VAL 6 N -0.46 0.06 0.25 0.00 -7.23 0.01 -4.82 120.40 108.21 1dby s VAL 6 Ca 0.07 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1dby s VAL 6 Cb -0.07 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1dby s VAL 6 CO -0.00 -0.22 0.27 0.21 -0.31 0.00 0.00 175.10 175.05 1dby s ASN 7 N -3.11 0.47 0.29 4.85 3.04 -1.26 -1.56 114.94 117.66 1dby s ASN 7 Ca 0.32 -1.37 0.01 0.00 0.04 0.00 0.00 52.86 51.86 1dby s ASN 7 Cb 0.07 0.49 0.70 0.00 -1.54 0.00 0.00 41.25 40.98 1dby s ASN 7 CO 0.07 -1.00 1.47 0.47 -3.04 0.00 0.00 177.10 175.07 1dby n ASP 8 N -0.67 -0.12 0.00 -4.21 8.00 -1.26 -0.51 116.55 117.78 1dby n ASP 8 Ca 0.02 1.60 0.00 0.00 0.71 0.00 0.00 54.79 57.12 1dby n ASP 8 Cb 0.64 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dby n ASP 9 N -5.40 0.00 -0.34 -2.24 2.03 -1.26 -3.97 116.55 105.37 1dby n ASP 9 Ca 0.22 0.53 0.21 0.00 0.52 0.00 0.00 54.79 56.26 1dby n ASP 9 Cb 0.71 -0.19 0.43 0.00 -0.72 0.00 0.00 41.12 41.35 1dby n ASP 9 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dby h THR 10 N 0.00 0.44 -0.97 5.18 1.35 -1.86 -0.50 112.91 116.54 1dby h THR 10 Ca 0.00 -0.16 0.24 0.00 -0.55 0.00 0.00 66.41 65.94 1dby h THR 10 Cb 0.00 -0.07 -0.18 0.00 -1.73 0.00 0.00 68.15 66.17 1dby h THR 10 CO 0.00 0.09 -0.08 0.33 -0.25 0.00 0.00 175.52 175.60 1dby n PHE 11 N -4.94 0.52 -0.04 4.73 7.35 0.34 -0.76 117.46 124.65 1dby n PHE 11 Ca 0.29 1.18 -0.04 0.00 -0.76 0.00 0.00 57.45 58.11 1dby n PHE 11 Cb 0.86 -1.17 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 1dby n PHE 11 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1dby h LYS 12 N 0.00 -0.11 -0.13 -4.13 1.57 -1.21 0.30 116.57 112.86 1dby h LYS 12 Ca 0.54 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.25 1dby h LYS 12 Cb 1.02 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1dby h LYS 12 CO -0.95 -0.08 -0.23 -0.97 -0.57 0.00 0.00 179.45 176.66 1dby h ASN 13 N -0.12 0.42 -0.24 0.86 -0.73 -1.53 -0.09 115.58 114.15 1dby h ASN 13 Ca 0.02 -0.55 -0.11 0.00 1.87 0.00 0.00 56.30 57.53 1dby h ASN 13 Cb 0.18 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 1dby h ASN 13 CO -0.18 0.89 -0.24 0.58 -0.37 0.00 0.00 177.43 178.12 1dby h VAL 14 N -0.03 1.27 0.00 2.57 2.07 -0.89 -3.25 116.25 118.00 1dby h VAL 14 Ca 0.01 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1dby h VAL 14 Cb 0.81 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1dby h VAL 14 CO 0.05 0.44 0.00 0.52 0.02 0.00 0.00 177.57 178.60 1dby n VAL 15 N -4.11 0.00 0.01 2.57 0.31 0.10 -4.46 118.33 112.75 1dby n VAL 15 Ca -0.00 0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1dby n VAL 15 Cb 0.43 -1.15 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.91 -0.31 7.52 3.38 -0.98 -0.26 115.31 123.75 1dby h LEU 16 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dby h LEU 16 Cb 0.00 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1dby h LEU 16 CO 0.00 -0.34 0.00 -0.62 0.09 0.00 0.00 178.44 177.57 1dby n GLU 17 N -5.40 1.11 -1.79 1.13 1.02 -0.12 -0.42 120.64 116.18 1dby n GLU 17 Ca -0.03 -0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.62 1dby n GLU 17 Cb 0.31 -1.12 0.05 0.00 -0.02 0.00 0.00 31.44 30.67 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dby s SER 18 N -0.83 4.88 -0.05 1.62 0.15 -0.11 -4.97 113.70 114.39 1dby s SER 18 Ca 0.03 2.28 -0.01 0.00 0.70 0.00 0.00 55.95 58.95 1dby s SER 18 Cb 0.01 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1dby s SER 18 CO 0.02 -1.79 0.04 0.77 1.20 0.00 0.00 173.24 173.47 1dby h SER 19 N 0.34 -0.02 -4.21 5.45 4.64 -1.90 -3.40 113.55 114.44 1dby h SER 19 Ca -0.49 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.36 1dby h SER 19 Cb 1.28 0.01 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 1dby h SER 19 CO 0.53 0.24 0.38 0.68 -0.87 0.00 0.00 176.83 177.79 1dby s VAL 20 N -1.40 4.44 1.04 0.95 -7.23 -1.26 -4.71 120.40 112.23 1dby s VAL 20 Ca -0.00 1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 61.14 1dby s VAL 20 Cb 0.00 -3.68 0.09 0.00 0.56 0.00 0.00 36.38 33.35 1dby s VAL 20 CO 0.01 -0.71 0.32 -2.65 -0.31 0.00 0.00 175.10 171.75 1dby n PRO 21 N -1.78 -1.06 -3.84 4.82 -0.02 -1.23 -4.73 135.00 127.16 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 0.54 -1.84 -0.11 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.34 0.03 -0.18 -1.45 1.01 0.30 -0.21 120.40 117.57 1dby s VAL 22 Ca 0.58 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1dby s VAL 22 Cb -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1dby s VAL 22 CO 0.66 -0.15 0.05 -0.22 0.00 0.00 0.00 175.10 175.44 1dby s LEU 23 N -0.48 3.73 -0.23 3.92 0.20 0.73 -0.35 118.68 126.20 1dby s LEU 23 Ca -0.06 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.83 1dby s LEU 23 Cb -0.04 -1.94 0.06 0.00 -0.43 0.00 0.00 46.19 43.84 1dby s LEU 23 CO 0.01 0.18 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.48 1dby s VAL 24 N 0.34 1.64 -0.33 1.68 1.01 0.23 -0.21 120.40 124.76 1dby s VAL 24 Ca 0.02 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.58 1dby s VAL 24 Cb -0.13 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1dby s VAL 24 CO 0.01 -0.02 0.67 -0.62 0.00 0.00 0.00 175.10 175.13 1dby s ASP 25 N 1.36 6.50 -0.36 3.32 2.15 -0.10 -0.58 116.67 128.97 1dby s ASP 25 Ca -0.05 0.37 -0.29 0.00 0.43 0.00 0.00 52.55 53.01 1dby s ASP 25 Cb -0.18 -2.35 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1dby s ASP 25 CO -0.07 -0.55 1.11 -0.36 -0.17 0.00 0.00 175.17 175.13 1dby s PHE 26 N 2.73 3.03 0.15 -5.34 0.40 0.14 -0.55 117.98 118.54 1dby s PHE 26 Ca 0.26 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.65 1dby s PHE 26 Cb -0.14 -3.92 -0.00 0.00 0.51 0.00 0.00 43.02 39.46 1dby s PHE 26 CO 0.13 -0.97 0.05 -2.67 0.70 0.00 0.00 175.22 172.46 1dby n TRP 27 N 7.20 0.09 -3.53 0.36 4.27 0.03 -3.41 117.44 122.45 1dby n TRP 27 Ca 0.12 -0.95 -0.09 0.00 -3.89 0.00 0.00 57.50 52.69 1dby n TRP 27 Cb 0.48 -0.02 -0.03 0.00 -1.36 0.00 0.00 31.31 30.38 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 -2.40 -1.86 0.25 -1.67 0.00 -1.26 -0.23 121.76 114.58 1dby s ALA 28 Ca 0.07 1.22 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 1dby s ALA 28 Cb 0.00 0.04 0.27 0.00 0.00 0.00 0.00 23.12 23.43 1dby s ALA 28 CO 0.05 -0.56 1.91 -1.00 0.00 0.00 0.00 175.76 176.16 1dby h PRO 29 N 2.21 1.23 0.00 0.00 0.13 -2.01 0.86 132.00 134.41 1dby h PRO 29 Ca -0.21 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1dby h PRO 29 Cb 1.21 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1dby h PRO 29 CO 0.31 0.81 0.00 -2.67 -0.23 0.00 0.00 178.00 176.22 1dby n TRP 30 N -4.44 0.04 -2.39 1.56 4.27 -1.26 -4.48 117.44 110.73 1dby n TRP 30 Ca 0.12 0.02 -0.37 0.00 -3.89 0.00 0.00 57.50 53.37 1dby n TRP 30 Cb 0.05 -0.53 -0.03 0.00 -1.36 0.00 0.00 31.31 29.44 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby n GLY 32 N 5.84 -2.29 0.33 0.00 0.00 -1.26 -0.73 105.19 107.08 1dby n GLY 32 Ca 0.45 0.96 0.03 0.00 0.00 0.00 0.00 46.02 47.46 1dby n GLY 32 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dby h PRO 33 N 0.00 0.93 -0.42 1.61 0.11 -1.93 -2.45 132.00 129.85 1dby h PRO 33 Ca 0.12 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.24 1dby h PRO 33 Cb 0.31 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 31.16 1dby h PRO 33 CO -0.71 0.61 0.10 0.00 -0.21 0.00 0.00 178.00 177.80 1dby h ARG 35 N 0.24 -0.25 -0.00 0.00 2.47 -0.95 0.21 114.38 116.10 1dby h ARG 35 Ca 0.20 0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.80 1dby h ARG 35 Cb 0.23 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1dby h ARG 35 CO -0.25 -0.17 -0.66 -0.84 0.56 0.00 0.00 179.97 178.61 1dby h ILE 36 N -0.26 1.47 0.00 2.04 3.07 -1.36 -3.04 117.51 119.44 1dby h ILE 36 Ca 0.05 -2.26 -0.06 0.00 1.55 0.00 0.00 64.86 64.14 1dby h ILE 36 Cb 0.32 2.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.08 1dby h ILE 36 CO -0.15 0.65 -0.27 0.40 -1.05 0.00 0.00 178.15 177.72 1dby h ILE 37 N 0.01 0.51 -1.00 0.16 2.04 -0.43 -3.37 117.51 115.43 1dby h ILE 37 Ca -0.01 -1.56 0.28 0.00 1.00 0.00 0.00 64.86 64.57 1dby h ILE 37 Cb 1.18 2.13 -0.19 0.00 -0.74 0.00 0.00 36.82 39.20 1dby h ILE 37 CO 0.09 0.27 0.02 0.00 0.00 0.00 0.00 178.15 178.53 1dby n ALA 38 N -2.18 0.51 -0.19 1.87 0.00 0.71 0.30 120.51 121.53 1dby n ALA 38 Ca 0.02 1.07 -0.02 0.00 0.00 0.00 0.00 53.44 54.52 1dby n ALA 38 Cb 0.59 -0.78 0.20 0.00 0.00 0.00 0.00 19.45 19.46 1dby n ALA 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dby h PRO 39 N 0.00 0.95 -0.07 0.00 0.11 -1.80 -1.12 132.00 130.07 1dby h PRO 39 Ca 0.61 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.59 1dby h PRO 39 Cb 1.26 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1dby h PRO 39 CO -0.94 0.73 0.02 0.28 -0.21 0.00 0.00 178.00 177.88 1dby h VAL 40 N 0.95 1.18 -0.77 3.15 2.07 -0.41 0.82 116.25 123.25 1dby h VAL 40 Ca 0.23 -0.56 0.16 0.00 0.82 0.00 0.00 66.70 67.36 1dby h VAL 40 Cb 0.09 1.43 -0.11 0.00 -1.52 0.00 0.00 31.29 31.19 1dby h VAL 40 CO -0.03 0.16 0.26 0.58 0.02 0.00 0.00 177.57 178.55 1dby h VAL 41 N -0.10 0.57 0.47 2.57 2.07 -0.56 -0.37 116.25 120.90 1dby h VAL 41 Ca 0.02 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1dby h VAL 41 Cb 0.23 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1dby h VAL 41 CO -0.00 0.07 -0.22 -0.78 0.02 0.00 0.00 177.57 176.65 1dby h ASP 42 N 0.36 -0.53 -0.99 0.57 3.58 -0.87 -2.97 116.42 115.57 1dby h ASP 42 Ca 0.43 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.95 1dby h ASP 42 Cb 0.72 0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.85 1dby h ASP 42 CO -0.47 -0.20 0.64 1.05 -2.88 0.00 0.00 179.24 177.38 1dby h GLU 43 N -0.98 1.19 -0.85 0.28 4.11 -0.66 0.49 114.58 118.15 1dby h GLU 43 Ca -0.06 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.31 1dby h GLU 43 Cb 0.48 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1dby h GLU 43 CO 0.11 0.79 0.57 0.82 0.07 0.00 0.00 179.01 181.36 1dby h ILE 44 N 1.23 1.21 0.21 -1.06 2.04 -1.19 0.11 117.51 120.05 1dby h ILE 44 Ca 0.40 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1dby h ILE 44 Cb 0.04 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1dby h ILE 44 CO -0.14 0.21 -0.10 0.00 0.00 0.00 0.00 178.15 178.12 1dby h ALA 45 N 1.47 -0.28 -0.76 1.87 0.00 -0.83 -3.10 119.26 117.63 1dby h ALA 45 Ca 0.32 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.25 1dby h ALA 45 Cb -0.10 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.66 1dby h ALA 45 CO -0.07 -0.60 -0.33 0.78 0.00 0.00 0.00 179.25 179.02 1dby h GLY 46 N -0.39 0.06 -0.30 0.00 0.00 0.16 0.29 103.07 102.89 1dby h GLY 46 Ca -0.03 0.44 0.30 0.00 0.00 0.00 0.00 47.33 48.04 1dby h GLY 46 CO 0.05 -0.22 0.72 0.83 0.00 0.00 0.00 176.54 177.91 1dby h GLU 47 N -0.08 0.29 0.00 4.80 5.08 -0.95 -1.37 114.58 122.34 1dby h GLU 47 Ca 0.30 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1dby h GLU 47 Cb 0.57 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1dby h GLU 47 CO -0.81 0.19 -0.36 0.66 -1.00 0.00 0.00 179.01 177.69 1dby n TYR 48 N -4.57 0.00 -0.37 4.33 4.01 0.64 -4.93 117.16 116.27 1dby n TYR 48 Ca 0.27 -1.33 0.01 0.00 -0.16 0.00 0.00 57.90 56.68 1dby n TYR 48 Cb 1.00 -0.22 0.06 0.00 -0.31 0.00 0.00 39.34 39.88 1dby n TYR 48 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1dby n LYS 49 N -1.19 -0.20 0.09 -0.72 4.81 0.68 -0.27 118.16 121.36 1dby n LYS 49 Ca 0.18 1.52 -0.12 0.00 -0.87 0.00 0.00 58.31 59.02 1dby n LYS 49 Cb 0.68 -2.26 -0.05 0.00 0.02 0.00 0.00 35.03 33.42 1dby n LYS 49 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1dby h ASP 50 N 0.00 -0.56 1.92 3.14 3.58 -1.87 -3.10 116.42 119.53 1dby h ASP 50 Ca 0.37 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 1dby h ASP 50 Cb 0.62 0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 1dby h ASP 50 CO -0.99 -0.27 -0.03 0.11 -2.88 0.00 0.00 179.24 175.18 1dby h LYS 51 N -0.35 0.00 -2.76 0.28 1.57 -1.46 -3.45 116.57 110.39 1dby h LYS 51 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1dby h LYS 51 Cb 0.40 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.35 1dby h LYS 51 CO -0.14 0.03 -0.62 -1.17 -0.57 0.00 0.00 179.45 176.98 1dby s LEU 52 N -6.22 -0.12 0.79 2.94 2.96 0.63 -3.51 118.68 116.15 1dby s LEU 52 Ca 0.06 0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 1dby s LEU 52 Cb 0.05 0.39 0.07 0.00 0.50 0.00 0.00 46.19 47.20 1dby s LEU 52 CO 0.67 -0.29 1.15 -0.54 -1.32 0.00 0.00 176.35 176.02 1dby s LYS 53 N 2.33 2.15 -0.07 1.98 -0.14 0.70 -4.20 119.74 122.49 1dby s LYS 53 Ca 0.05 0.26 -0.07 0.00 -1.36 0.00 0.00 55.97 54.84 1dby s LYS 53 Cb -0.14 -1.96 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1dby s LYS 53 CO -0.10 -1.50 0.20 0.00 -0.76 0.00 0.00 175.35 173.20 1dby s VAL 55 N -0.11 0.06 -0.23 0.00 1.01 0.70 -0.94 120.40 120.90 1dby s VAL 55 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1dby s VAL 55 Cb -0.02 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.07 1dby s VAL 55 CO 0.01 -0.28 -0.03 -0.54 0.00 0.00 0.00 175.10 174.26 1dby s LYS 56 N -3.84 1.38 -0.22 2.72 1.02 0.69 -0.92 119.74 120.57 1dby s LYS 56 Ca 0.06 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 54.94 1dby s LYS 56 Cb 0.01 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1dby s LYS 56 CO -0.08 -0.63 0.69 -1.17 -0.92 0.00 0.00 175.35 173.24 1dby s LEU 57 N 1.49 4.11 -0.53 3.17 2.96 0.29 -0.81 118.68 129.35 1dby s LEU 57 Ca -0.04 0.87 -0.28 0.00 -0.22 0.00 0.00 54.13 54.47 1dby s LEU 57 Cb -0.18 -2.98 0.01 0.00 0.50 0.00 0.00 46.19 43.53 1dby s LEU 57 CO -0.07 -0.37 1.51 0.21 -1.32 0.00 0.00 176.35 176.30 1dby s ASN 58 N 1.31 6.02 0.28 3.68 3.84 -0.60 -0.79 114.94 128.69 1dby s ASN 58 Ca 0.30 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.82 1dby s ASN 58 Cb -0.16 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.42 1dby s ASN 58 CO 0.09 -1.76 1.78 0.74 -2.79 0.00 0.00 177.10 175.17 1dby h THR 59 N 6.49 1.23 -0.79 -5.21 2.02 -0.90 0.31 112.91 116.07 1dby h THR 59 Ca -0.27 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 1dby h THR 59 Cb 1.11 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1dby h THR 59 CO 1.16 0.34 0.33 -0.78 0.37 0.00 0.00 175.52 176.94 1dby h ASP 60 N 0.62 1.07 1.43 4.18 1.82 -1.89 -1.31 116.42 122.34 1dby h ASP 60 Ca 0.12 -0.15 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 1dby h ASP 60 Cb 0.45 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1dby h ASP 60 CO 0.02 0.93 -0.58 -0.08 -1.61 0.00 0.00 179.24 177.92 1dby h GLU 61 N 1.14 0.00 -1.58 0.28 4.57 -1.84 -3.38 114.58 113.77 1dby h GLU 61 Ca 0.27 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.87 1dby h GLU 61 Cb 0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.36 1dby h GLU 61 CO -0.03 0.13 -0.74 0.43 -1.18 0.00 0.00 179.01 177.62 1dby n SER 62 N -2.97 4.53 0.24 1.04 7.64 0.11 -4.69 113.62 119.51 1dby n SER 62 Ca 0.01 -3.67 0.09 0.00 1.01 0.00 0.00 58.87 56.30 1dby n SER 62 Cb 0.61 -0.47 0.60 0.00 -1.01 0.00 0.00 64.21 63.94 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 2.64 0.00 0.00 1.43 0.13 -1.47 -2.61 132.00 132.12 1dby h PRO 63 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1dby h PRO 63 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1dby h PRO 63 CO 0.83 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 1dby n ASN 64 N -3.96 0.00 -0.26 1.44 3.02 -1.26 -0.27 115.26 113.97 1dby n ASN 64 Ca -0.02 0.71 0.04 0.00 -0.03 0.00 0.00 54.58 55.28 1dby n ASN 64 Cb 0.25 -0.21 0.17 0.00 -0.61 0.00 0.00 39.78 39.39 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dby h VAL 65 N 0.00 0.73 -0.45 2.41 2.07 -1.97 0.33 116.25 119.36 1dby h VAL 65 Ca 0.00 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1dby h VAL 65 Cb 0.00 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1dby h VAL 65 CO 0.00 0.09 0.19 0.00 0.02 0.00 0.00 177.57 177.87 1dby h ALA 66 N 1.51 0.56 -0.31 1.67 0.00 -1.44 -0.06 119.26 121.18 1dby h ALA 66 Ca 0.40 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1dby h ALA 66 Cb 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dby h ALA 66 CO -0.35 -0.19 -0.49 0.66 0.00 0.00 0.00 179.25 178.88 1dby h SER 67 N 0.38 0.96 -0.87 0.00 4.64 0.54 0.20 113.55 119.40 1dby h SER 67 Ca 0.21 -0.49 0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1dby h SER 67 Cb 0.17 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 1dby h SER 67 CO -0.18 1.28 0.53 -0.33 -0.87 0.00 0.00 176.83 177.26 1dby h GLU 68 N 0.69 0.93 0.02 4.77 5.08 -0.56 -1.43 114.58 124.08 1dby h GLU 68 Ca 0.03 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1dby h GLU 68 Cb 1.09 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1dby h GLU 68 CO 0.11 0.61 -0.97 1.88 -1.00 0.00 0.00 179.01 179.64 1dby h TYR 69 N 0.96 0.16 -0.94 4.33 0.05 -0.90 -3.48 116.97 117.14 1dby h TYR 69 Ca 0.39 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.07 1dby h TYR 69 Cb 0.22 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1dby h TYR 69 CO -0.03 1.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.49 1dby n GLY 70 N 1.16 0.61 3.63 3.88 0.00 0.56 -5.02 105.19 110.00 1dby n GLY 70 Ca -0.02 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.22 3.90 0.13 -0.61 1.01 -0.41 -4.89 121.20 118.11 1dby s ILE 71 Ca 0.00 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.74 1dby s ILE 71 Cb 0.00 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 1dby s ILE 71 CO 0.00 -0.40 1.33 0.08 0.00 0.00 0.00 174.94 175.96 1dby h ARG 72 N 10.12 0.00 -2.81 2.79 -0.00 -1.95 -3.47 114.38 119.06 1dby h ARG 72 Ca -0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.65 1dby h ARG 72 Cb 1.13 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 30.96 1dby h ARG 72 CO 1.02 0.92 0.20 -1.12 -0.00 0.00 0.00 179.97 180.99 1dby s SER 73 N -6.71 -0.58 0.14 0.08 0.01 -1.26 -5.18 113.70 100.20 1dby s SER 73 Ca 0.01 0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.51 1dby s SER 73 Cb 0.10 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 1dby s SER 73 CO 0.81 -0.89 -0.25 0.27 0.41 0.00 0.00 173.24 173.58 1dby s ILE 74 N -3.24 2.35 0.48 1.44 -4.36 -1.26 -4.33 121.20 112.29 1dby s ILE 74 Ca -0.01 -1.78 -0.23 0.00 -0.26 0.00 0.00 60.65 58.37 1dby s ILE 74 Cb -0.01 -2.06 -0.07 0.00 1.25 0.00 0.00 42.46 41.57 1dby s ILE 74 CO -0.08 0.05 1.21 -2.16 0.24 0.00 0.00 174.94 174.20 1dby s PRO 75 N -2.18 3.61 -0.15 0.37 0.04 -1.26 -4.95 135.00 130.49 1dby s PRO 75 Ca 0.16 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1dby s PRO 75 Cb -0.10 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 32.15 1dby s PRO 75 CO 0.07 -0.70 0.16 0.99 0.04 0.00 0.00 177.00 177.57 1dby s THR 76 N -1.50 -0.23 -0.28 1.26 2.01 -1.22 -0.82 115.64 114.86 1dby s THR 76 Ca 0.65 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.58 1dby s THR 76 Cb -0.31 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1dby s THR 76 CO 0.37 -0.11 0.17 -0.63 -0.69 0.00 0.00 174.62 173.74 1dby s ILE 77 N 2.26 5.13 0.24 1.82 1.01 0.74 -0.68 121.20 131.72 1dby s ILE 77 Ca 0.04 0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.87 1dby s ILE 77 Cb -0.15 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1dby s ILE 77 CO -0.09 0.26 0.20 -0.04 0.00 0.00 0.00 174.94 175.28 1dby s MET 78 N 1.73 2.97 -0.07 2.79 -1.94 0.26 -0.54 119.30 124.51 1dby s MET 78 Ca 0.07 -1.00 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1dby s MET 78 Cb -0.16 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.08 1dby s MET 78 CO 0.10 0.42 -0.15 0.08 -0.01 0.00 0.00 175.02 175.45 1dby s VAL 79 N -2.06 1.37 0.08 -6.03 1.01 -0.42 -0.60 120.40 113.75 1dby s VAL 79 Ca 0.33 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1dby s VAL 79 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1dby s VAL 79 CO 0.25 0.41 -0.19 -0.36 0.00 0.00 0.00 175.10 175.20 1dby s PHE 80 N 0.52 2.51 -0.35 5.22 0.40 0.52 -0.42 117.98 126.39 1dby s PHE 80 Ca -0.14 -0.28 0.15 0.00 -0.60 0.00 0.00 56.93 56.05 1dby s PHE 80 Cb -0.16 -1.39 0.41 0.00 0.51 0.00 0.00 43.02 42.40 1dby s PHE 80 CO 0.05 0.31 0.96 0.36 0.70 0.00 0.00 175.22 177.59 1dby n LYS 81 N 1.19 1.10 -0.29 0.44 0.00 -0.82 -0.54 118.16 119.24 1dby n LYS 81 Ca -0.16 -3.02 0.00 0.00 -0.00 0.00 0.00 58.31 55.13 1dby n LYS 81 Cb 0.52 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 1dby n LYS 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dby n GLY 82 N -0.02 -0.27 5.00 2.58 0.00 -1.26 -4.73 105.19 106.49 1dby n GLY 82 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1dby n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dby n GLY 83 N -0.04 1.10 3.88 -0.02 0.00 0.44 -4.85 105.19 105.69 1dby n GLY 83 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 2.97 0.24 1.61 -0.14 -1.26 -4.82 119.74 118.35 1dby s LYS 84 Ca 0.00 0.52 -0.10 0.00 -1.36 0.00 0.00 55.97 55.03 1dby s LYS 84 Cb 0.00 -2.03 -0.07 0.00 -1.68 0.00 0.00 37.83 34.05 1dby s LYS 84 CO 0.00 -0.97 0.58 0.15 -0.76 0.00 0.00 175.35 174.35 1dby s LYS 85 N -5.32 3.83 -0.21 1.68 1.02 -1.26 -1.95 119.74 117.53 1dby s LYS 85 Ca 0.58 0.33 -0.19 0.00 0.02 0.00 0.00 55.97 56.70 1dby s LYS 85 Cb -0.11 -2.61 -0.16 0.00 -0.52 0.00 0.00 37.83 34.42 1dby s LYS 85 CO 0.52 0.29 0.09 0.00 -0.92 0.00 0.00 175.35 175.33 1dby n GLU 87 N -4.43 0.91 -3.63 0.00 -0.00 -1.24 -5.03 120.64 107.21 1dby n GLU 87 Ca -0.31 -1.82 -0.15 0.00 -0.00 0.00 0.00 57.16 54.87 1dby n GLU 87 Cb 0.65 2.32 -0.07 0.00 -0.00 0.00 0.00 31.44 34.33 1dby n GLU 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1dby s THR 88 N -2.17 0.00 0.04 3.84 2.01 -1.26 -1.30 115.64 116.81 1dby s THR 88 Ca 0.16 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1dby s THR 88 Cb -0.04 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1dby s THR 88 CO 0.09 -0.02 -0.05 0.27 -0.69 0.00 0.00 174.62 174.22 1dby s ILE 89 N -0.15 0.34 0.28 1.82 -4.36 0.30 -4.99 121.20 114.44 1dby s ILE 89 Ca -0.04 -1.28 -0.28 0.00 -0.26 0.00 0.00 60.65 58.79 1dby s ILE 89 Cb -0.03 -0.81 -0.09 0.00 1.25 0.00 0.00 42.46 42.77 1dby s ILE 89 CO 0.03 -0.61 0.94 -0.63 0.24 0.00 0.00 174.94 174.91 1dby s ILE 90 N -2.22 4.12 0.00 8.37 1.01 -1.26 -0.19 121.20 131.03 1dby s ILE 90 Ca -0.06 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.56 1dby s ILE 90 Cb -0.04 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1dby s ILE 90 CO -0.03 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1dby n GLY 91 N 1.09 0.89 3.92 6.18 0.00 0.00 -4.74 105.19 112.53 1dby n GLY 91 Ca -0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby n ALA 92 N -3.00 -1.45 -2.85 4.61 0.00 -1.26 -4.94 120.51 111.62 1dby n ALA 92 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 1dby n ALA 92 Cb 0.00 -3.79 -0.11 0.00 0.00 0.00 0.00 19.45 15.55 1dby n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1dby s VAL 93 N -3.40 0.24 0.69 0.00 -7.23 -1.26 -5.15 120.40 104.29 1dby s VAL 93 Ca 0.53 -1.06 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 1dby s VAL 93 Cb -0.27 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.19 1dby s VAL 93 CO 0.84 -0.52 1.20 -2.65 -0.31 0.00 0.00 175.10 173.66 1dby n PRO 94 N 1.40 0.83 -0.26 4.82 -0.02 -1.26 -4.82 135.00 135.69 1dby n PRO 94 Ca -0.23 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1dby n PRO 94 Cb 0.56 -2.44 0.20 0.00 -0.02 0.00 0.00 33.50 31.80 1dby n PRO 94 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1dby h LYS 95 N 0.14 0.31 -0.85 -0.52 5.09 -2.00 0.32 116.57 119.06 1dby h LYS 95 Ca -0.49 -0.02 0.18 0.00 0.09 0.00 0.00 60.65 60.41 1dby h LYS 95 Cb 1.33 -0.07 -0.11 0.00 0.10 0.00 0.00 32.23 33.48 1dby h LYS 95 CO 0.51 0.20 0.37 0.00 -2.09 0.00 0.00 179.45 178.44 1dby h ALA 96 N 1.61 1.30 -0.04 0.07 0.00 -1.99 0.25 119.26 120.46 1dby h ALA 96 Ca 0.43 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1dby h ALA 96 Cb 0.74 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1dby h ALA 96 CO -0.49 -0.25 0.02 1.15 0.00 0.00 0.00 179.25 179.67 1dby h THR 97 N 0.46 1.11 0.16 0.00 2.02 -1.28 -0.62 112.91 114.76 1dby h THR 97 Ca 0.50 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1dby h THR 97 Cb 0.86 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1dby h THR 97 CO -0.46 0.09 -0.13 0.40 0.37 0.00 0.00 175.52 175.79 1dby h ILE 98 N -0.07 0.71 0.33 3.11 2.04 -0.87 -0.00 117.51 122.75 1dby h ILE 98 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1dby h ILE 98 Cb 0.14 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1dby h ILE 98 CO -0.00 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 178.24 1dby h VAL 99 N -0.30 0.05 -0.88 1.67 2.07 -0.54 0.48 116.25 118.81 1dby h VAL 99 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1dby h VAL 99 Cb 0.28 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 1dby h VAL 99 CO -0.02 0.00 0.44 1.56 0.02 0.00 0.00 177.57 179.57 1dby h GLN 100 N -0.87 0.54 0.92 1.57 4.20 -0.96 0.66 115.11 121.17 1dby h GLN 100 Ca -0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1dby h GLN 100 Cb 0.80 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.47 1dby h GLN 100 CO -0.16 0.36 -0.44 1.15 -0.67 0.00 0.00 178.83 179.07 1dby h THR 101 N 0.56 0.05 -0.63 -0.54 2.02 -0.36 -3.23 112.91 110.77 1dby h THR 101 Ca 0.51 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.74 1dby h THR 101 Cb 0.82 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.21 1dby h THR 101 CO -0.42 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.26 1dby h VAL 102 N -1.29 0.71 -1.02 3.16 2.07 0.18 -2.46 116.25 117.60 1dby h VAL 102 Ca -0.13 -0.13 0.33 0.00 0.82 0.00 0.00 66.70 67.60 1dby h VAL 102 Cb 0.95 0.31 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 1dby h VAL 102 CO 0.21 0.07 0.59 -0.33 0.02 0.00 0.00 177.57 178.13 1dby h GLU 103 N 0.37 0.29 -0.14 1.57 4.39 -0.93 0.23 114.58 120.36 1dby h GLU 103 Ca 0.33 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.03 1dby h GLU 103 Cb 0.45 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1dby h GLU 103 CO -0.35 0.19 0.04 -0.22 -1.16 0.00 0.00 179.01 177.50 1dby h LYS 104 N 0.29 0.10 0.00 2.33 3.64 -1.50 -3.14 116.57 118.29 1dby h LYS 104 Ca 0.74 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 1dby h LYS 104 Cb 1.76 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1dby h LYS 104 CO -0.59 0.06 -0.01 1.88 -2.27 0.00 0.00 179.45 178.52 1dby h TYR 105 N 0.10 0.00 -0.76 1.91 0.05 -0.81 -3.37 116.97 114.09 1dby h TYR 105 Ca 0.06 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.12 1dby h TYR 105 Cb 0.04 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.71 1dby h TYR 105 CO -0.12 0.00 2.82 1.28 -1.05 0.00 0.00 178.16 181.09 1dby n LEU 106 N -4.04 7.86 -0.27 3.88 7.99 0.50 -5.14 117.00 127.79 1dby n LEU 106 Ca -0.00 -4.62 0.15 0.00 -0.01 0.00 0.00 56.01 51.53 1dby n LEU 106 Cb 0.01 -1.47 0.71 0.00 -0.11 0.00 0.00 43.42 42.56 1dby n LEU 106 CO 0.00 1.84 0.98 -3.20 -1.51 0.00 0.00 177.39 175.49