#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby h GLU 2 N 0.00 1.01 -6.53 2.12 5.08 -1.97 -3.40 114.58 110.90 1dby h GLU 2 Ca 0.00 -0.15 -0.53 0.00 -1.00 0.00 0.00 59.36 57.68 1dby h GLU 2 Cb 0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1dby h GLU 2 CO 0.00 0.80 0.07 0.00 -1.00 0.00 0.00 179.01 178.88 1dby s ALA 3 N -5.69 3.44 0.85 3.43 0.00 -1.25 -4.76 121.76 117.78 1dby s ALA 3 Ca -0.13 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 1dby s ALA 3 Cb 0.14 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.60 1dby s ALA 3 CO 0.80 0.35 1.13 0.20 0.00 0.00 0.00 175.76 178.25 1dby s GLY 4 N -1.67 1.59 -0.11 0.00 0.00 -0.08 -4.86 107.32 102.19 1dby s GLY 4 Ca 0.42 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1dby s GLY 4 CO 0.21 0.05 -0.16 0.00 0.00 0.00 0.00 173.10 173.20 1dby s ALA 5 N -3.30 2.53 0.20 3.20 0.00 -1.26 -0.70 121.76 122.43 1dby s ALA 5 Ca 0.62 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1dby s ALA 5 Cb -0.14 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1dby s ALA 5 CO 0.53 0.31 -0.06 0.14 0.00 0.00 0.00 175.76 176.68 1dby s VAL 6 N 0.17 1.16 0.30 0.00 -7.23 0.03 -4.89 120.40 109.94 1dby s VAL 6 Ca -0.09 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.04 1dby s VAL 6 Cb -0.15 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1dby s VAL 6 CO 0.05 -0.52 0.31 0.20 -0.31 0.00 0.00 175.10 174.83 1dby s ASN 7 N -3.25 1.06 0.17 4.85 -0.87 -1.26 -3.04 114.94 112.60 1dby s ASN 7 Ca 0.23 -1.57 -0.27 0.00 -1.57 0.00 0.00 52.86 49.68 1dby s ASN 7 Cb 0.04 0.55 -0.01 0.00 -0.02 0.00 0.00 41.25 41.81 1dby s ASN 7 CO 0.05 -1.08 1.48 -0.67 -2.57 0.00 0.00 177.10 174.31 1dby n ASP 8 N -1.18 -0.94 0.22 -1.22 -0.08 -1.26 -0.29 116.55 111.79 1dby n ASP 8 Ca 0.04 1.70 -0.16 0.00 -1.51 0.00 0.00 54.79 54.86 1dby n ASP 8 Cb 0.63 -0.25 -0.08 0.00 2.34 0.00 0.00 41.12 43.75 1dby n ASP 8 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1dby h ASP 9 N 0.00 -1.21 -0.20 1.67 2.03 -1.98 -3.18 116.42 113.56 1dby h ASP 9 Ca 0.19 0.11 -0.04 0.00 -0.73 0.00 0.00 57.03 56.56 1dby h ASP 9 Cb 0.43 0.42 -0.01 0.00 -0.83 0.00 0.00 39.33 39.34 1dby h ASP 9 CO -0.91 -0.56 -0.04 0.71 -1.03 0.00 0.00 179.24 177.41 1dby h THR 10 N -0.81 1.28 -0.99 1.15 1.35 -1.84 -3.24 112.91 109.81 1dby h THR 10 Ca -0.02 -1.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.02 1dby h THR 10 Cb 0.75 1.53 -0.18 0.00 -1.73 0.00 0.00 68.15 68.52 1dby h THR 10 CO -0.12 0.30 -0.30 0.15 -0.25 0.00 0.00 175.52 175.30 1dby h PHE 11 N 0.11 -0.73 -0.74 4.73 3.04 -0.65 0.17 116.94 122.86 1dby h PHE 11 Ca 0.05 0.10 0.13 0.00 3.98 0.00 0.00 57.97 62.23 1dby h PHE 11 Cb 0.48 0.47 -0.14 0.00 2.56 0.00 0.00 35.95 39.32 1dby h PHE 11 CO 0.05 -0.42 -0.29 0.87 -2.02 0.00 0.00 178.31 176.50 1dby h LYS 12 N -0.00 -0.07 0.14 1.11 1.79 -1.57 0.35 116.57 118.31 1dby h LYS 12 Ca 0.43 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.90 1dby h LYS 12 Cb 0.68 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1dby h LYS 12 CO -1.01 -0.05 -0.07 -0.97 -1.08 0.00 0.00 179.45 176.28 1dby h ASN 13 N -0.07 -0.16 -0.55 0.86 -0.73 -0.99 -0.51 115.58 113.44 1dby h ASN 13 Ca 0.31 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 1dby h ASN 13 Cb 0.57 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.18 1dby h ASN 13 CO -0.79 0.39 0.27 0.58 -0.37 0.00 0.00 177.43 177.50 1dby h VAL 14 N -1.02 1.20 0.00 2.57 2.07 -0.63 -2.98 116.25 117.47 1dby h VAL 14 Ca -0.02 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1dby h VAL 14 Cb 0.30 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1dby h VAL 14 CO 0.03 0.23 -0.58 0.52 0.02 0.00 0.00 177.57 177.79 1dby n VAL 15 N -4.57 1.22 0.16 2.57 0.31 0.12 -4.46 118.33 113.68 1dby n VAL 15 Ca 0.03 0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.53 1dby n VAL 15 Cb 0.12 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 30.77 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 -0.85 -0.38 -4.27 7.52 3.38 -1.17 -3.30 115.31 116.25 1dby h LEU 16 Ca 0.00 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 1dby h LEU 16 Cb 0.58 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1dby h LEU 16 CO 0.00 -0.08 0.73 -0.62 0.09 0.00 0.00 178.44 178.55 1dby n GLU 17 N -4.23 2.44 -3.05 1.13 -0.58 -0.22 0.15 120.64 116.28 1dby n GLU 17 Ca -0.06 -1.31 -0.29 0.00 -0.42 0.00 0.00 57.16 55.08 1dby n GLU 17 Cb 0.18 -2.21 -0.03 0.00 -0.57 0.00 0.00 31.44 28.81 1dby n GLU 17 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1dby s SER 18 N 2.05 6.46 0.00 1.62 1.04 -1.23 -4.75 113.70 118.89 1dby s SER 18 Ca 0.68 0.92 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1dby s SER 18 Cb 0.28 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1dby s SER 18 CO -0.02 -0.33 0.00 -1.54 0.98 0.00 0.00 173.24 172.34 1dby n SER 19 N -1.25 0.00 -4.87 7.02 3.41 -1.26 -4.31 113.62 112.36 1dby n SER 19 Ca 0.00 0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.51 1dby n SER 19 Cb 0.54 -0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.62 4.13 1.07 -3.33 -7.23 -1.26 -4.62 120.40 108.53 1dby s VAL 20 Ca 0.00 0.69 -0.17 0.00 -1.81 0.00 0.00 61.98 60.69 1dby s VAL 20 Cb 0.00 -3.67 0.07 0.00 0.56 0.00 0.00 36.38 33.35 1dby s VAL 20 CO 0.00 -0.90 0.05 -2.65 -0.31 0.00 0.00 175.10 171.29 1dby n PRO 21 N -2.89 -1.17 -4.02 4.82 -0.02 -0.89 -4.71 135.00 126.12 1dby n PRO 21 Ca 0.06 -0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.11 1dby n PRO 21 Cb 0.55 -1.71 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 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 -2.27 0.30 -0.30 -1.45 1.01 0.21 0.14 120.40 118.03 1dby s VAL 22 Ca 0.55 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1dby s VAL 22 Cb -0.14 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 35.94 1dby s VAL 22 CO 0.67 -0.40 0.05 -0.22 0.00 0.00 0.00 175.10 175.20 1dby s LEU 23 N -1.37 3.13 -0.22 3.92 0.20 0.06 -1.00 118.68 123.40 1dby s LEU 23 Ca -0.12 -1.71 -0.06 0.00 0.69 0.00 0.00 54.13 52.93 1dby s LEU 23 Cb -0.09 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 1dby s LEU 23 CO -0.00 -0.37 0.03 0.54 -0.29 0.00 0.00 176.35 176.26 1dby s VAL 24 N 1.34 4.18 -0.34 1.68 0.11 0.09 0.12 120.40 127.57 1dby s VAL 24 Ca 0.07 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 1dby s VAL 24 Cb -0.18 -2.91 -0.01 0.00 -1.53 0.00 0.00 36.38 31.75 1dby s VAL 24 CO -0.16 0.40 0.51 -0.62 -3.33 0.00 0.00 175.10 171.91 1dby s ASP 25 N 1.15 6.32 -0.63 3.54 2.15 0.20 -0.59 116.67 128.81 1dby s ASP 25 Ca 0.03 0.01 -0.28 0.00 0.43 0.00 0.00 52.55 52.75 1dby s ASP 25 Cb -0.14 -2.27 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1dby s ASP 25 CO 0.02 -0.47 1.24 -0.36 -0.17 0.00 0.00 175.17 175.44 1dby s PHE 26 N 2.39 2.47 0.00 -5.34 0.40 0.13 -0.52 117.98 117.50 1dby s PHE 26 Ca 0.19 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 1dby s PHE 26 Cb -0.15 -4.54 0.00 0.00 0.51 0.00 0.00 43.02 38.84 1dby s PHE 26 CO 0.13 -1.78 0.00 -2.67 0.70 0.00 0.00 175.22 171.60 1dby n TRP 27 N 8.87 -0.50 -3.61 0.36 4.27 0.17 -3.23 117.44 123.77 1dby n TRP 27 Ca 0.07 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.62 1dby n TRP 27 Cb 0.49 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.39 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 -2.00 -2.03 0.33 -1.67 0.00 -1.26 -0.03 121.76 115.10 1dby s ALA 28 Ca 0.00 1.74 0.05 0.00 0.00 0.00 0.00 51.96 53.74 1dby s ALA 28 Cb 0.00 -1.16 0.68 0.00 0.00 0.00 0.00 23.12 22.64 1dby s ALA 28 CO 0.00 -0.26 1.90 -1.00 0.00 0.00 0.00 175.76 176.40 1dby h PRO 29 N 2.49 0.82 0.00 0.00 0.13 -1.99 0.67 132.00 134.12 1dby h PRO 29 Ca -0.15 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1dby h PRO 29 Cb 1.18 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1dby h PRO 29 CO 0.25 0.54 0.00 0.11 -0.23 0.00 0.00 178.00 178.68 1dby h TRP 30 N 0.85 0.00 -1.04 1.56 5.08 -2.00 -3.39 115.95 117.00 1dby h TRP 30 Ca 0.40 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.72 1dby h TRP 30 Cb 0.42 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.49 1dby h TRP 30 CO -0.00 0.00 1.90 0.00 -1.28 0.00 0.00 178.44 179.06 1dby n GLY 32 N 5.84 -2.47 0.17 0.00 0.00 -1.26 -0.71 105.19 106.76 1dby n GLY 32 Ca 0.42 1.14 -0.05 0.00 0.00 0.00 0.00 46.02 47.54 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 0.13 -0.17 1.61 0.11 -1.95 0.17 132.00 131.90 1dby h PRO 33 Ca 0.17 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.31 1dby h PRO 33 Cb 0.41 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.45 1dby h PRO 33 CO -0.91 0.09 -0.08 0.00 -0.21 0.00 0.00 178.00 176.89 1dby h ARG 35 N -0.05 0.01 0.00 0.00 2.43 -0.18 0.27 114.38 116.86 1dby h ARG 35 Ca 0.09 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1dby h ARG 35 Cb 0.19 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1dby h ARG 35 CO -0.21 0.01 -0.17 -0.84 -1.51 0.00 0.00 179.97 177.25 1dby h ILE 36 N 0.01 0.37 0.00 1.20 -0.00 -0.72 -2.92 117.51 115.45 1dby h ILE 36 Ca 0.05 -1.10 -0.23 0.00 -0.00 0.00 0.00 64.86 63.58 1dby h ILE 36 Cb 0.07 1.83 -0.03 0.00 -0.00 0.00 0.00 36.82 38.68 1dby h ILE 36 CO -0.10 0.17 -1.18 0.40 -0.00 0.00 0.00 178.15 177.44 1dby h ILE 37 N 0.00 1.49 -1.00 0.16 2.04 -0.45 -3.39 117.51 116.37 1dby h ILE 37 Ca -0.00 -3.24 0.38 0.00 1.00 0.00 0.00 64.86 63.00 1dby h ILE 37 Cb 0.82 2.74 -0.18 0.00 -0.74 0.00 0.00 36.82 39.46 1dby h ILE 37 CO 0.02 0.85 0.41 0.00 0.00 0.00 0.00 178.15 179.44 1dby h ALA 38 N 0.99 1.90 -0.82 1.87 0.00 -0.27 0.17 119.26 123.10 1dby h ALA 38 Ca -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1dby h ALA 38 Cb 1.84 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 1dby h ALA 38 CO 0.12 -0.84 0.44 -1.35 0.00 0.00 0.00 179.25 177.62 1dby h PRO 39 N 0.02 1.15 -0.03 0.00 0.11 -1.75 0.11 132.00 131.61 1dby h PRO 39 Ca 0.78 -0.14 -0.21 0.00 0.11 0.00 0.00 66.00 66.54 1dby h PRO 39 Cb 1.96 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.84 1dby h PRO 39 CO -0.80 0.86 -0.87 -0.39 -0.21 0.00 0.00 178.00 176.59 1dby h VAL 40 N 1.14 1.40 -0.77 3.15 -1.51 -0.98 -0.06 116.25 118.62 1dby h VAL 40 Ca 0.29 -2.36 0.13 0.00 -1.23 0.00 0.00 66.70 63.52 1dby h VAL 40 Cb 0.05 2.32 -0.09 0.00 -2.13 0.00 0.00 31.29 31.44 1dby h VAL 40 CO -0.04 0.71 0.36 0.58 -1.23 0.00 0.00 177.57 177.94 1dby h VAL 41 N 0.24 0.74 0.85 7.19 2.07 -0.78 0.15 116.25 126.71 1dby h VAL 41 Ca -0.06 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1dby h VAL 41 Cb 1.48 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1dby h VAL 41 CO 0.15 0.10 -0.41 -0.78 0.02 0.00 0.00 177.57 176.65 1dby h ASP 42 N 0.55 -0.96 -0.83 0.57 3.58 -0.31 -3.04 116.42 115.99 1dby h ASP 42 Ca 0.41 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.97 1dby h ASP 42 Cb 0.55 0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.79 1dby h ASP 42 CO -0.35 -0.68 0.49 1.05 -2.88 0.00 0.00 179.24 176.87 1dby h GLU 43 N -1.14 0.85 -1.07 0.28 4.11 -0.39 0.90 114.58 118.12 1dby h GLU 43 Ca -0.12 -0.05 0.29 0.00 0.07 0.00 0.00 59.36 59.55 1dby h GLU 43 Cb 0.87 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.83 1dby h GLU 43 CO 0.19 0.56 0.69 0.82 0.07 0.00 0.00 179.01 181.34 1dby h ILE 44 N 0.87 0.47 -0.42 -1.06 2.04 -0.67 0.32 117.51 119.06 1dby h ILE 44 Ca 0.38 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 66.16 1dby h ILE 44 Cb 0.25 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1dby h ILE 44 CO -0.20 0.06 0.17 0.00 0.00 0.00 0.00 178.15 178.18 1dby h ALA 45 N 1.63 0.51 -0.60 1.87 0.00 -0.70 -0.64 119.26 121.32 1dby h ALA 45 Ca 0.63 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1dby h ALA 45 Cb 1.64 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1dby h ALA 45 CO -0.32 -0.21 0.26 0.78 0.00 0.00 0.00 179.25 179.75 1dby h GLY 46 N 0.35 0.96 0.88 0.00 0.00 -0.44 0.40 103.07 105.21 1dby h GLY 46 Ca 0.19 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1dby h GLY 46 CO -0.18 0.48 0.39 0.83 0.00 0.00 0.00 176.54 178.05 1dby h GLU 47 N 0.83 0.74 0.00 4.80 5.08 -0.58 -3.34 114.58 122.12 1dby h GLU 47 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1dby h GLU 47 Cb 0.17 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dby h GLU 47 CO -0.02 0.49 -0.06 0.66 -1.00 0.00 0.00 179.01 179.08 1dby n TYR 48 N -4.71 0.00 -0.36 4.33 4.01 -0.32 -4.92 117.16 115.20 1dby n TYR 48 Ca 0.06 -0.60 0.04 0.00 -0.16 0.00 0.00 57.90 57.23 1dby n TYR 48 Cb 0.08 -0.09 0.11 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.80 -0.13 -0.29 -0.72 3.00 0.14 -0.67 118.16 118.70 1dby n LYS 49 Ca 0.07 1.51 0.09 0.00 -0.00 0.00 0.00 58.31 59.98 1dby n LYS 49 Cb 0.50 -2.25 0.22 0.00 0.00 0.00 0.00 35.03 33.50 1dby n LYS 49 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1dby h ASP 50 N 0.00 -0.30 0.03 3.14 5.19 -1.90 -2.97 116.42 119.60 1dby h ASP 50 Ca 0.43 0.22 -0.38 0.00 -0.62 0.00 0.00 57.03 56.68 1dby h ASP 50 Cb 0.67 0.36 -0.06 0.00 0.18 0.00 0.00 39.33 40.48 1dby h ASP 50 CO -0.99 -0.21 -2.38 0.29 -3.12 0.00 0.00 179.24 172.82 1dby n LYS 51 N -5.35 0.67 -3.97 3.56 5.02 -0.26 -4.94 118.16 112.89 1dby n LYS 51 Ca 0.18 0.14 -0.34 0.00 -2.02 0.00 0.00 58.31 56.26 1dby n LYS 51 Cb 0.59 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 1dby n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1dby s LEU 52 N -6.37 3.50 -0.92 -0.35 2.96 0.16 -2.10 118.68 115.57 1dby s LEU 52 Ca -0.28 -1.14 -0.24 0.00 -0.22 0.00 0.00 54.13 52.24 1dby s LEU 52 Cb 0.08 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 45.16 1dby s LEU 52 CO 0.67 -0.19 1.39 -0.75 -1.32 0.00 0.00 176.35 176.15 1dby s LYS 53 N 1.25 3.44 0.11 1.98 2.36 0.12 -4.06 119.74 124.93 1dby s LYS 53 Ca -0.04 -0.80 -0.30 0.00 -2.55 0.00 0.00 55.97 52.29 1dby s LYS 53 Cb -0.19 -4.93 -0.06 0.00 -1.05 0.00 0.00 37.83 31.61 1dby s LYS 53 CO -0.03 -2.19 0.99 0.00 1.55 0.00 0.00 175.35 175.67 1dby s VAL 55 N 0.10 0.03 -0.12 0.00 1.01 0.12 -0.91 120.40 120.64 1dby s VAL 55 Ca 0.48 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1dby s VAL 55 Cb -0.24 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1dby s VAL 55 CO 0.30 -0.14 0.01 -0.54 0.00 0.00 0.00 175.10 174.74 1dby s LYS 56 N -4.03 0.62 -0.27 2.72 1.02 0.13 -0.63 119.74 119.29 1dby s LYS 56 Ca 0.25 -0.08 -0.12 0.00 0.02 0.00 0.00 55.97 56.04 1dby s LYS 56 Cb 0.03 -1.39 -0.05 0.00 -0.52 0.00 0.00 37.83 35.91 1dby s LYS 56 CO 0.06 -0.43 0.23 -1.17 -0.92 0.00 0.00 175.35 173.13 1dby s LEU 57 N 1.94 4.04 -0.60 3.17 1.98 0.32 -0.79 118.68 128.74 1dby s LEU 57 Ca 0.03 0.09 -0.27 0.00 -2.89 0.00 0.00 54.13 51.08 1dby s LEU 57 Cb -0.14 -2.20 0.01 0.00 0.66 0.00 0.00 46.19 44.52 1dby s LEU 57 CO -0.06 -0.07 1.49 0.21 -1.89 0.00 0.00 176.35 176.03 1dby s ASN 58 N 1.62 5.96 -0.08 3.68 3.84 -1.17 -0.66 114.94 128.13 1dby s ASN 58 Ca 0.09 0.20 -0.05 0.00 0.21 0.00 0.00 52.86 53.31 1dby s ASN 58 Cb -0.16 -2.54 -0.17 0.00 -0.55 0.00 0.00 41.25 37.83 1dby s ASN 58 CO 0.10 -1.87 3.23 0.41 -2.79 0.00 0.00 177.10 176.18 1dby n THR 59 N 6.86 2.91 0.00 -5.21 -1.04 0.96 0.02 114.28 118.77 1dby n THR 59 Ca 0.13 -1.60 0.00 0.00 -2.04 0.00 0.00 64.05 60.53 1dby n THR 59 Cb 0.50 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1dby n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1dby n ASP 60 N 2.04 0.00 0.10 8.00 -0.08 -1.26 -4.65 116.55 120.70 1dby n ASP 60 Ca 0.38 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1dby n ASP 60 Cb 0.80 0.10 -0.03 0.00 2.34 0.00 0.00 41.12 44.33 1dby n ASP 60 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1dby h GLU 61 N 0.00 0.00 -2.10 -0.67 4.57 -1.93 -3.39 114.58 111.06 1dby h GLU 61 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 1dby h GLU 61 Cb 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.18 1dby h GLU 61 CO 0.00 0.59 -1.00 0.43 -1.18 0.00 0.00 179.01 177.85 1dby n SER 62 N -3.21 2.08 0.21 1.04 7.64 0.10 -4.76 113.62 116.72 1dby n SER 62 Ca -0.00 -3.24 0.09 0.00 1.01 0.00 0.00 58.87 56.73 1dby n SER 62 Cb 0.81 -0.60 0.35 0.00 -1.01 0.00 0.00 64.21 63.76 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 3.03 0.00 -0.07 1.43 0.13 -1.76 -3.34 132.00 131.43 1dby h PRO 63 Ca 0.11 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1dby h PRO 63 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1dby h PRO 63 CO 0.61 0.26 -0.04 0.09 -0.23 0.00 0.00 178.00 178.69 1dby n ASN 64 N -3.33 -0.07 -0.05 1.44 4.13 -1.26 0.08 115.26 116.21 1dby n ASN 64 Ca 0.01 0.92 -0.03 0.00 1.68 0.00 0.00 54.58 57.16 1dby n ASN 64 Cb 0.50 -0.42 0.22 0.00 -1.54 0.00 0.00 39.78 38.54 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 1.23 -0.88 2.41 -1.51 -1.97 0.51 116.25 116.04 1dby h VAL 65 Ca 0.01 -0.96 0.02 0.00 -1.23 0.00 0.00 66.70 64.54 1dby h VAL 65 Cb 0.03 0.97 -0.05 0.00 -2.13 0.00 0.00 31.29 30.11 1dby h VAL 65 CO -0.06 0.33 0.58 0.00 -1.23 0.00 0.00 177.57 177.19 1dby h ALA 66 N 1.36 1.41 -0.11 5.19 0.00 -1.39 -0.15 119.26 125.58 1dby h ALA 66 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1dby h ALA 66 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dby h ALA 66 CO 0.02 0.53 -0.32 0.77 0.00 0.00 0.00 179.25 180.25 1dby h SER 67 N 1.15 0.47 -0.55 0.00 0.02 0.77 0.20 113.55 115.60 1dby h SER 67 Ca 0.33 -0.60 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1dby h SER 67 Cb -0.07 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 1dby h SER 67 CO -0.09 0.99 0.21 -0.33 -1.14 0.00 0.00 176.83 176.48 1dby h GLU 68 N -0.03 0.39 0.09 3.45 5.08 -0.46 -2.37 114.58 120.73 1dby h GLU 68 Ca -0.01 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 1dby h GLU 68 Cb 0.94 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1dby h GLU 68 CO 0.07 0.26 -1.15 1.88 -1.00 0.00 0.00 179.01 179.07 1dby h TYR 69 N 0.41 0.48 -0.34 4.33 -1.99 -1.07 -3.49 116.97 115.30 1dby h TYR 69 Ca 0.27 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1dby h TYR 69 Cb 0.29 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1dby h TYR 69 CO -0.15 1.23 0.00 0.41 -0.00 0.00 0.00 178.16 179.64 1dby n GLY 70 N 1.37 0.69 3.67 3.88 0.00 0.46 -5.06 105.19 110.20 1dby n GLY 70 Ca -0.07 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.69 4.49 0.09 -0.61 1.01 0.15 -4.93 121.20 119.71 1dby s ILE 71 Ca 0.00 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 62.40 1dby s ILE 71 Cb 0.00 -4.16 -0.26 0.00 0.01 0.00 0.00 42.46 38.05 1dby s ILE 71 CO 0.00 -0.12 1.17 -0.09 0.00 0.00 0.00 174.94 175.91 1dby h ARG 72 N 7.68 0.32 -3.10 2.79 9.65 -1.97 -3.47 114.38 126.28 1dby h ARG 72 Ca -0.25 -0.49 0.04 0.00 -1.10 0.00 0.00 59.98 58.18 1dby h ARG 72 Cb 1.10 0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 29.79 1dby h ARG 72 CO 0.95 1.21 0.17 -1.12 2.80 0.00 0.00 179.97 183.98 1dby s SER 73 N -7.16 -0.27 0.16 -3.80 0.01 -1.26 -5.19 113.70 96.19 1dby s SER 73 Ca -0.05 -0.59 0.09 0.00 1.31 0.00 0.00 55.95 56.71 1dby s SER 73 Cb 0.07 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1dby s SER 73 CO 0.88 -1.27 -0.19 0.27 0.41 0.00 0.00 173.24 173.34 1dby s ILE 74 N -3.91 1.83 0.56 1.44 -4.36 -1.26 -4.37 121.20 111.13 1dby s ILE 74 Ca 0.11 -1.88 -0.19 0.00 -0.26 0.00 0.00 60.65 58.43 1dby s ILE 74 Cb -0.05 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 1dby s ILE 74 CO 0.05 -0.28 1.18 -2.16 0.24 0.00 0.00 174.94 173.97 1dby s PRO 75 N -2.69 3.19 -0.23 0.37 0.04 -1.26 -4.80 135.00 129.62 1dby s PRO 75 Ca 0.15 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1dby s PRO 75 Cb -0.06 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.58 1dby s PRO 75 CO 0.06 -1.01 0.20 0.99 0.04 0.00 0.00 177.00 177.29 1dby s THR 76 N -1.66 -0.27 -0.33 1.26 2.01 -1.20 -0.55 115.64 114.91 1dby s THR 76 Ca 0.74 -0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 1dby s THR 76 Cb -0.28 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 1dby s THR 76 CO 0.31 -0.37 0.67 -0.63 -0.69 0.00 0.00 174.62 173.92 1dby s ILE 77 N 2.27 4.87 -0.13 1.82 1.09 0.38 -0.69 121.20 130.81 1dby s ILE 77 Ca 0.07 0.81 -0.04 0.00 -1.10 0.00 0.00 60.65 60.39 1dby s ILE 77 Cb -0.15 -4.07 -0.03 0.00 -1.06 0.00 0.00 42.46 37.14 1dby s ILE 77 CO -0.21 -0.25 0.02 -0.04 -0.10 0.00 0.00 174.94 174.36 1dby s MET 78 N 2.76 3.46 -0.11 2.79 -1.94 0.24 -0.24 119.30 126.27 1dby s MET 78 Ca 0.27 -0.39 -0.07 0.00 -1.71 0.00 0.00 55.69 53.79 1dby s MET 78 Cb -0.14 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 1dby s MET 78 CO 0.14 0.49 0.16 0.08 -0.01 0.00 0.00 175.02 175.88 1dby s VAL 79 N -0.27 5.47 0.20 -6.03 1.01 0.11 -0.74 120.40 120.15 1dby s VAL 79 Ca 0.07 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1dby s VAL 79 Cb -0.12 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1dby s VAL 79 CO 0.02 0.61 -0.11 -0.36 0.00 0.00 0.00 175.10 175.25 1dby s PHE 80 N -1.05 1.63 -0.39 5.22 0.40 -0.17 -0.33 117.98 123.28 1dby s PHE 80 Ca 0.16 -0.66 0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1dby s PHE 80 Cb -0.12 -0.81 0.38 0.00 0.51 0.00 0.00 43.02 42.97 1dby s PHE 80 CO 0.05 0.25 1.09 0.36 0.70 0.00 0.00 175.22 177.68 1dby n LYS 81 N -0.37 1.10 -0.44 0.44 0.00 -1.09 -0.62 118.16 117.18 1dby n LYS 81 Ca -0.08 -2.43 0.00 0.00 -0.00 0.00 0.00 58.31 55.80 1dby n LYS 81 Cb 0.61 -0.87 0.00 0.00 -0.00 0.00 0.00 35.03 34.77 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 -0.06 -0.74 5.21 2.58 0.00 -1.26 -4.79 105.19 106.13 1dby n GLY 82 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.59 1.47 3.96 -0.02 0.00 0.12 -4.84 105.19 106.47 1dby n GLY 83 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 3.02 0.31 1.61 1.02 -1.26 -4.57 119.74 119.87 1dby s LYS 84 Ca 0.00 -0.62 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 1dby s LYS 84 Cb 0.00 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1dby s LYS 84 CO 0.00 -0.25 1.01 0.21 -0.92 0.00 0.00 175.35 175.40 1dby s LYS 85 N -4.50 4.58 -0.07 1.68 2.20 -1.26 -2.66 119.74 119.71 1dby s LYS 85 Ca 0.49 1.55 -0.04 0.00 -0.36 0.00 0.00 55.97 57.60 1dby s LYS 85 Cb -0.10 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1dby s LYS 85 CO 0.37 0.23 -0.08 0.00 -0.36 0.00 0.00 175.35 175.51 1dby n GLU 87 N -3.38 0.40 -3.84 0.00 -0.58 -1.24 -5.02 120.64 106.97 1dby n GLU 87 Ca -0.03 -1.31 -0.09 0.00 -0.42 0.00 0.00 57.16 55.31 1dby n GLU 87 Cb 0.11 1.34 -0.04 0.00 -0.57 0.00 0.00 31.44 32.28 1dby n GLU 87 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1dby s THR 88 N -2.61 0.02 -0.08 2.62 -1.32 -1.26 -0.72 115.64 112.29 1dby s THR 88 Ca 0.13 -1.04 -0.02 0.00 -1.21 0.00 0.00 61.69 59.55 1dby s THR 88 Cb -0.01 -1.82 0.03 0.00 -1.51 0.00 0.00 72.50 69.20 1dby s THR 88 CO 0.09 -0.09 0.01 -0.63 -2.21 0.00 0.00 174.62 171.79 1dby s ILE 89 N -3.93 0.33 -0.07 5.08 1.01 0.67 -4.98 121.20 119.31 1dby s ILE 89 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 1dby s ILE 89 Cb -0.01 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 1dby s ILE 89 CO 0.02 0.19 0.01 -0.63 0.00 0.00 0.00 174.94 174.52 1dby s ILE 90 N 1.99 4.31 0.00 2.92 1.01 -1.26 -0.47 121.20 129.69 1dby s ILE 90 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1dby s ILE 90 Cb -0.13 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1dby s ILE 90 CO -0.05 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1dby n GLY 91 N 1.98 0.13 3.77 6.18 0.00 0.29 -4.97 105.19 112.56 1dby n GLY 91 Ca -0.18 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.67 3.22 0.03 4.61 0.00 -1.26 -4.65 121.76 121.05 1dby s ALA 92 Ca 0.00 1.38 -0.14 0.00 0.00 0.00 0.00 51.96 53.20 1dby s ALA 92 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1dby s ALA 92 CO 0.00 -1.08 0.30 0.08 0.00 0.00 0.00 175.76 175.06 1dby s VAL 93 N -1.23 0.08 0.35 0.00 1.01 -1.26 -5.11 120.40 114.24 1dby s VAL 93 Ca 0.60 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1dby s VAL 93 Cb -0.42 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 1dby s VAL 93 CO 0.53 -0.35 0.97 -2.84 0.00 0.00 0.00 175.10 173.42 1dby s PRO 94 N -2.22 4.45 0.44 2.72 0.02 -1.26 -4.95 135.00 134.21 1dby s PRO 94 Ca -0.07 1.36 0.14 0.00 0.02 0.00 0.00 61.00 62.45 1dby s PRO 94 Cb -0.02 -2.68 1.05 0.00 0.02 0.00 0.00 34.50 32.88 1dby s PRO 94 CO -0.01 0.14 1.98 1.57 -0.33 0.00 0.00 177.00 180.35 1dby h LYS 95 N 2.88 0.37 -0.95 5.54 2.10 -1.97 -0.44 116.57 124.10 1dby h LYS 95 Ca -0.47 -0.02 0.29 0.00 -2.00 0.00 0.00 60.65 58.44 1dby h LYS 95 Cb 1.20 -0.08 -0.15 0.00 -0.90 0.00 0.00 32.23 32.29 1dby h LYS 95 CO 0.64 0.24 0.35 0.00 -2.00 0.00 0.00 179.45 178.68 1dby h ALA 96 N 1.70 1.58 -0.02 0.07 0.00 -2.00 0.24 119.26 120.83 1dby h ALA 96 Ca 0.27 0.24 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 1dby h ALA 96 Cb 0.56 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1dby h ALA 96 CO -0.07 -0.57 -0.55 1.15 0.00 0.00 0.00 179.25 179.20 1dby h THR 97 N 0.19 1.42 -0.46 0.00 2.02 -1.46 -3.15 112.91 111.46 1dby h THR 97 Ca 0.65 -2.01 0.07 0.00 0.77 0.00 0.00 66.41 65.90 1dby h THR 97 Cb 1.44 2.52 -0.06 0.00 -1.74 0.00 0.00 68.15 70.31 1dby h THR 97 CO -0.69 0.58 0.11 0.40 0.37 0.00 0.00 175.52 176.29 1dby h ILE 98 N -0.09 0.77 0.32 3.11 2.04 -0.61 0.11 117.51 123.15 1dby h ILE 98 Ca -0.06 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1dby h ILE 98 Cb 1.25 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1dby h ILE 98 CO 0.11 0.05 -0.28 0.58 0.00 0.00 0.00 178.15 178.60 1dby h VAL 99 N 0.25 0.40 -0.55 1.67 2.07 -0.77 0.24 116.25 119.58 1dby h VAL 99 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 1dby h VAL 99 Cb 0.28 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1dby h VAL 99 CO -0.28 0.00 0.27 1.56 0.02 0.00 0.00 177.57 179.14 1dby h GLN 100 N -0.62 0.50 -0.41 1.57 4.20 -1.42 -0.74 115.11 118.19 1dby h GLN 100 Ca -0.02 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1dby h GLN 100 Cb 0.56 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1dby h GLN 100 CO -0.04 0.33 -0.01 1.15 -0.67 0.00 0.00 178.83 179.59 1dby h THR 101 N 0.51 1.26 -0.37 -0.54 2.02 -0.46 0.96 112.91 116.30 1dby h THR 101 Ca 0.25 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1dby h THR 101 Cb 0.18 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1dby h THR 101 CO -0.18 0.35 -0.03 1.62 0.37 0.00 0.00 175.52 177.64 1dby h VAL 102 N 0.56 1.27 -0.33 3.16 3.04 -0.26 -0.04 116.25 123.65 1dby h VAL 102 Ca 0.12 -1.06 0.04 0.00 -1.01 0.00 0.00 66.70 64.78 1dby h VAL 102 Cb 0.50 1.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.95 1dby h VAL 102 CO 0.02 0.35 0.12 -0.33 -1.01 0.00 0.00 177.57 176.73 1dby h GLU 103 N 0.49 0.26 -0.15 4.17 5.08 -1.03 0.21 114.58 123.61 1dby h GLU 103 Ca 0.10 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1dby h GLU 103 Cb 0.52 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1dby h GLU 103 CO 0.03 0.17 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.82 1dby h LYS 104 N 0.27 -0.19 -0.67 2.33 3.64 -0.54 -0.58 116.57 120.84 1dby h LYS 104 Ca 0.15 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1dby h LYS 104 Cb 0.12 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1dby h LYS 104 CO -0.15 -0.12 0.28 1.88 -2.27 0.00 0.00 179.45 179.07 1dby h TYR 105 N -0.19 1.01 0.00 1.91 0.05 -0.46 -3.43 116.97 115.86 1dby h TYR 105 Ca 0.10 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1dby h TYR 105 Cb 0.34 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1dby h TYR 105 CO -0.29 0.78 0.00 1.28 -1.05 0.00 0.00 178.16 178.88 1dby n LEU 106 N -4.41 0.00 0.00 3.88 4.77 0.70 -5.02 117.00 116.92 1dby n LEU 106 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1dby n LEU 106 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1dby n LEU 106 CO 0.39 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.25