#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 0.00 -2.29 3.17 1.02 -1.26 -4.50 120.64 116.78 1dby n GLU 2 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1dby n GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dby s ALA 3 N -0.05 3.28 1.03 0.62 0.00 -1.21 -4.90 121.76 120.54 1dby s ALA 3 Ca 0.00 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 1dby s ALA 3 Cb 0.00 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.82 1dby s ALA 3 CO 0.00 -0.48 0.46 0.41 0.00 0.00 0.00 175.76 176.15 1dby n GLY 4 N 0.78 -1.75 2.99 0.00 0.00 0.09 -4.89 105.19 102.40 1dby n GLY 4 Ca 0.02 -1.60 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.62 0.75 0.29 4.61 0.00 -1.26 -2.84 121.76 119.69 1dby s ALA 5 Ca 0.27 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1dby s ALA 5 Cb -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 1dby s ALA 5 CO 0.20 0.13 0.03 0.14 0.00 0.00 0.00 175.76 176.26 1dby s VAL 6 N 0.12 1.20 0.27 0.00 -7.23 0.24 -4.84 120.40 110.16 1dby s VAL 6 Ca -0.02 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1dby s VAL 6 Cb -0.07 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1dby s VAL 6 CO 0.00 -0.12 0.23 0.20 -0.31 0.00 0.00 175.10 175.10 1dby s ASN 7 N -3.43 0.94 0.24 4.85 -0.87 -1.26 -3.41 114.94 112.01 1dby s ASN 7 Ca 0.34 -1.57 -0.06 0.00 -1.57 0.00 0.00 52.86 50.00 1dby s ASN 7 Cb 0.07 0.49 0.44 0.00 -0.02 0.00 0.00 41.25 42.23 1dby s ASN 7 CO 0.13 -0.98 1.65 -2.24 -2.57 0.00 0.00 177.10 173.09 1dby h ASP 8 N 2.34 -0.24 0.00 -1.22 2.03 -1.86 0.24 116.42 117.71 1dby h ASP 8 Ca -0.30 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1dby h ASP 8 Cb 1.24 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 40.04 1dby h ASP 8 CO 0.43 -0.14 0.00 -0.67 -1.03 0.00 0.00 179.24 177.83 1dby n ASP 9 N -5.29 0.00 -0.19 4.15 2.03 -1.26 -3.76 116.55 112.23 1dby n ASP 9 Ca 0.14 0.83 0.20 0.00 0.52 0.00 0.00 54.79 56.48 1dby n ASP 9 Cb 0.47 -0.39 0.57 0.00 -0.72 0.00 0.00 41.12 41.05 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 0.68 -0.95 5.18 1.35 -1.90 -0.57 112.91 116.70 1dby h THR 10 Ca 0.00 -0.10 0.26 0.00 -0.55 0.00 0.00 66.41 66.02 1dby h THR 10 Cb 0.00 0.36 -0.17 0.00 -1.73 0.00 0.00 68.15 66.61 1dby h THR 10 CO 0.00 0.05 0.05 0.15 -0.25 0.00 0.00 175.52 175.52 1dby h PHE 11 N 0.29 -0.01 0.61 4.73 3.57 -0.62 0.21 116.94 125.73 1dby h PHE 11 Ca 0.42 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 1dby h PHE 11 Cb 1.19 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1dby h PHE 11 CO -0.00 -0.39 -0.46 0.87 -2.23 0.00 0.00 178.31 176.09 1dby h LYS 12 N 0.04 -0.99 -0.13 1.11 1.57 -1.22 0.47 116.57 117.42 1dby h LYS 12 Ca 0.58 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.38 1dby h LYS 12 Cb 1.17 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 1dby h LYS 12 CO -0.87 -0.66 -0.11 -0.91 -0.57 0.00 0.00 179.45 176.33 1dby h ASN 13 N -1.03 0.18 0.01 0.86 -0.26 -1.23 0.12 115.58 114.23 1dby h ASN 13 Ca -0.08 -0.03 -0.36 0.00 -0.56 0.00 0.00 56.30 55.27 1dby h ASN 13 Cb 0.86 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 38.02 1dby h ASN 13 CO 0.02 0.32 -2.00 0.52 -1.06 0.00 0.00 177.43 175.23 1dby n VAL 14 N -4.31 1.55 -0.11 2.81 0.31 0.59 -4.30 118.33 114.87 1dby n VAL 14 Ca -0.01 -0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 63.83 1dby n VAL 14 Cb 0.24 -1.89 -0.08 0.00 -0.91 0.00 0.00 33.84 31.20 1dby n VAL 14 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1dby n VAL 15 N -4.15 1.51 0.23 2.52 0.31 0.16 -4.31 118.33 114.59 1dby n VAL 15 Ca -0.43 -0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 63.72 1dby n VAL 15 Cb 0.83 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 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 -1.00 -0.55 -4.05 7.52 3.38 -0.66 -3.28 115.31 116.67 1dby h LEU 16 Ca -0.35 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 1dby h LEU 16 Cb 1.21 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 1dby h LEU 16 CO -0.21 -0.13 -0.31 -0.62 0.09 0.00 0.00 178.44 177.26 1dby n GLU 17 N -5.22 1.94 -3.37 1.13 1.02 0.37 0.18 120.64 116.70 1dby n GLU 17 Ca -0.09 -0.97 -0.35 0.00 -0.02 0.00 0.00 57.16 55.73 1dby n GLU 17 Cb 0.29 -1.99 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 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 2.04 6.79 -0.07 1.62 1.04 -1.24 -4.74 113.70 119.15 1dby s SER 18 Ca 0.64 1.05 -0.05 0.00 0.48 0.00 0.00 55.95 58.07 1dby s SER 18 Cb 0.31 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 1dby s SER 18 CO -0.00 0.08 -0.10 -1.54 0.98 0.00 0.00 173.24 172.66 1dby n SER 19 N 0.65 0.78 -4.86 7.02 3.41 -1.26 -3.88 113.62 115.48 1dby n SER 19 Ca -0.04 0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.58 1dby n SER 19 Cb 0.52 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.62 4.41 1.00 -3.33 -7.23 -1.26 -4.73 120.40 107.64 1dby s VAL 20 Ca -0.08 0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 60.74 1dby s VAL 20 Cb 0.01 -3.74 0.11 0.00 0.56 0.00 0.00 36.38 33.33 1dby s VAL 20 CO 0.12 -1.02 0.65 -2.65 -0.31 0.00 0.00 175.10 171.89 1dby n PRO 21 N -2.85 -0.82 -3.99 4.82 -0.02 -1.26 -4.65 135.00 126.23 1dby n PRO 21 Ca 0.06 -0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.23 1dby n PRO 21 Cb 0.54 -2.03 -0.13 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.45 0.19 -0.32 -1.45 1.01 0.85 -0.09 120.40 118.15 1dby s VAL 22 Ca 0.61 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1dby s VAL 22 Cb -0.21 -0.24 0.10 0.00 0.00 0.00 0.00 36.38 36.03 1dby s VAL 22 CO 0.64 -0.18 0.06 -0.22 0.00 0.00 0.00 175.10 175.40 1dby s LEU 23 N -0.69 3.65 -0.28 3.92 0.20 0.27 -0.86 118.68 124.89 1dby s LEU 23 Ca -0.06 -1.89 -0.07 0.00 0.69 0.00 0.00 54.13 52.80 1dby s LEU 23 Cb -0.05 -1.31 -0.01 0.00 -0.43 0.00 0.00 46.19 44.40 1dby s LEU 23 CO -0.00 -0.38 0.08 0.54 -0.29 0.00 0.00 176.35 176.30 1dby s VAL 24 N 1.21 4.14 -0.33 1.68 0.11 0.20 0.08 120.40 127.49 1dby s VAL 24 Ca 0.09 -0.47 -0.22 0.00 -2.93 0.00 0.00 61.98 58.45 1dby s VAL 24 Cb -0.18 -3.05 -0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1dby s VAL 24 CO -0.14 0.18 0.71 -0.62 -3.33 0.00 0.00 175.10 171.89 1dby s ASP 25 N 1.55 6.54 -0.50 3.54 2.15 0.10 -0.90 116.67 129.15 1dby s ASP 25 Ca 0.04 0.42 -0.29 0.00 0.43 0.00 0.00 52.55 53.16 1dby s ASP 25 Cb -0.16 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1dby s ASP 25 CO 0.03 -0.59 1.20 -0.36 -0.17 0.00 0.00 175.17 175.28 1dby s PHE 26 N 2.83 2.68 0.00 -5.34 0.40 0.19 -0.39 117.98 118.35 1dby s PHE 26 Ca 0.28 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1dby s PHE 26 Cb -0.14 -4.45 0.00 0.00 0.51 0.00 0.00 43.02 38.94 1dby s PHE 26 CO 0.14 -1.48 0.00 -2.67 0.70 0.00 0.00 175.22 171.91 1dby n TRP 27 N 8.21 0.00 -3.60 0.36 4.27 0.08 -3.09 117.44 123.67 1dby n TRP 27 Ca 0.12 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.66 1dby n TRP 27 Cb 0.49 0.00 -0.04 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 -2.01 0.26 -1.67 0.00 -1.26 -0.14 121.76 114.94 1dby s ALA 28 Ca 0.00 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1dby s ALA 28 Cb 0.00 -0.97 0.38 0.00 0.00 0.00 0.00 23.12 22.53 1dby s ALA 28 CO 0.00 -0.31 1.88 -1.35 0.00 0.00 0.00 175.76 175.99 1dby h PRO 29 N 2.32 1.13 0.00 0.00 0.11 -2.00 0.74 132.00 134.30 1dby h PRO 29 Ca -0.14 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1dby h PRO 29 Cb 1.17 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1dby h PRO 29 CO 0.27 0.75 0.00 0.11 -0.21 0.00 0.00 178.00 178.92 1dby h TRP 30 N 1.17 0.00 -0.78 0.65 5.08 -2.02 -3.40 115.95 116.65 1dby h TRP 30 Ca 0.42 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.92 1dby h TRP 30 Cb 0.13 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.22 1dby h TRP 30 CO -0.01 0.00 1.36 0.00 -1.28 0.00 0.00 178.44 178.52 1dby n GLY 32 N 6.23 -2.33 0.20 0.00 0.00 -1.26 -0.48 105.19 107.56 1dby n GLY 32 Ca 0.42 1.02 -0.04 0.00 0.00 0.00 0.00 46.02 47.42 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 -0.03 -0.52 1.61 0.11 -1.95 -1.20 132.00 130.03 1dby h PRO 33 Ca 0.13 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.26 1dby h PRO 33 Cb 0.34 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 1dby h PRO 33 CO -0.78 -0.02 0.32 0.00 -0.21 0.00 0.00 178.00 177.31 1dby h ARG 35 N 0.64 -0.03 -0.34 0.00 2.43 0.09 0.33 114.38 117.50 1dby h ARG 35 Ca 0.20 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 1dby h ARG 35 Cb -0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1dby h ARG 35 CO -0.08 -0.02 -0.34 -0.84 -1.51 0.00 0.00 179.97 177.18 1dby h ILE 36 N -0.03 1.28 0.00 1.20 3.07 -0.93 -3.04 117.51 119.06 1dby h ILE 36 Ca 0.09 -1.50 -0.10 0.00 1.55 0.00 0.00 64.86 64.90 1dby h ILE 36 Cb 0.16 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 1dby h ILE 36 CO -0.19 0.49 -0.46 0.16 -1.05 0.00 0.00 178.15 177.10 1dby h ILE 37 N 0.64 0.86 -0.98 0.16 3.07 -0.97 -3.38 117.51 116.91 1dby h ILE 37 Ca 0.06 -1.98 0.25 0.00 1.55 0.00 0.00 64.86 64.74 1dby h ILE 37 Cb 0.88 2.26 -0.18 0.00 -0.27 0.00 0.00 36.82 39.51 1dby h ILE 37 CO 0.08 0.45 -0.06 0.00 -1.05 0.00 0.00 178.15 177.57 1dby n ALA 38 N -2.24 0.42 -0.20 0.16 0.00 0.11 0.34 120.51 119.10 1dby n ALA 38 Ca 0.01 1.05 -0.02 0.00 0.00 0.00 0.00 53.44 54.49 1dby n ALA 38 Cb 0.66 -0.73 0.19 0.00 0.00 0.00 0.00 19.45 19.57 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 0.96 -0.14 0.00 0.11 -1.77 0.15 132.00 131.32 1dby h PRO 39 Ca 0.56 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 1dby h PRO 39 Cb 1.07 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1dby h PRO 39 CO -0.94 0.76 0.01 0.28 -0.21 0.00 0.00 178.00 177.89 1dby h VAL 40 N 0.96 1.24 -0.77 3.15 2.07 -0.37 -1.22 116.25 121.31 1dby h VAL 40 Ca 0.23 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1dby h VAL 40 Cb 0.12 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1dby h VAL 40 CO -0.03 0.24 0.43 0.58 0.02 0.00 0.00 177.57 178.81 1dby h VAL 41 N 0.00 0.92 0.31 2.57 2.07 -0.34 0.12 116.25 121.91 1dby h VAL 41 Ca 0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1dby h VAL 41 Cb 0.35 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1dby h VAL 41 CO 0.01 0.14 -0.19 0.44 0.02 0.00 0.00 177.57 177.98 1dby h ASP 42 N 0.74 -0.49 -0.09 0.57 3.32 -0.38 -3.13 116.42 116.96 1dby h ASP 42 Ca 0.37 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.47 1dby h ASP 42 Cb 0.32 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1dby h ASP 42 CO -0.23 -0.30 0.07 1.05 -1.72 0.00 0.00 179.24 178.11 1dby h GLU 43 N -0.47 0.00 -0.95 3.56 4.11 -1.04 -0.76 114.58 119.02 1dby h GLU 43 Ca -0.04 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.63 1dby h GLU 43 Cb 0.38 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 1dby h GLU 43 CO 0.04 0.00 0.64 0.82 0.07 0.00 0.00 179.01 180.58 1dby h ILE 44 N 0.00 0.60 -0.79 -1.06 1.08 -0.91 0.36 117.51 116.78 1dby h ILE 44 Ca 0.04 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 1dby h ILE 44 Cb 0.17 0.27 -0.05 0.00 -3.07 0.00 0.00 36.82 34.15 1dby h ILE 44 CO -0.00 0.05 0.52 0.00 -0.69 0.00 0.00 178.15 178.03 1dby h ALA 45 N 1.59 1.57 0.00 1.87 0.00 -1.19 0.12 119.26 123.22 1dby h ALA 45 Ca 0.50 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 1dby h ALA 45 Cb 1.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1dby h ALA 45 CO -0.16 0.33 -0.28 0.78 0.00 0.00 0.00 179.25 179.92 1dby h GLY 46 N 0.92 0.00 0.27 0.00 0.00 -0.46 -3.11 103.07 100.70 1dby h GLY 46 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1dby h GLY 46 CO -0.10 0.00 -0.05 0.83 0.00 0.00 0.00 176.54 177.22 1dby h GLU 47 N 0.00 -0.13 -2.88 4.80 5.08 -0.50 -3.37 114.58 117.59 1dby h GLU 47 Ca -0.00 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.77 1dby h GLU 47 Cb 0.82 0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1dby h GLU 47 CO 0.04 0.38 3.27 0.66 -1.00 0.00 0.00 179.01 182.36 1dby n TYR 48 N -4.84 2.07 -0.21 4.33 4.01 0.24 -4.12 117.16 118.64 1dby n TYR 48 Ca -0.08 -2.86 -0.09 0.00 -0.16 0.00 0.00 57.90 54.72 1dby n TYR 48 Cb 0.28 -2.36 0.02 0.00 -0.31 0.00 0.00 39.34 36.97 1dby n TYR 48 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1dby h LYS 49 N 4.76 1.00 -6.24 -0.72 1.57 -1.73 -2.97 116.57 112.25 1dby h LYS 49 Ca 0.78 -0.29 -0.58 0.00 -1.87 0.00 0.00 60.65 58.69 1dby h LYS 49 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1dby h LYS 49 CO 1.57 0.97 1.30 -0.51 -0.57 0.00 0.00 179.45 182.21 1dby s ASP 50 N -6.44 5.86 -0.03 0.86 1.11 -1.26 -4.73 116.67 112.04 1dby s ASP 50 Ca -0.12 1.41 -0.30 0.00 0.18 0.00 0.00 52.55 53.72 1dby s ASP 50 Cb 0.13 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.55 1dby s ASP 50 CO 0.84 -1.72 1.29 -0.54 1.18 0.00 0.00 175.17 176.22 1dby s LYS 51 N 5.70 4.32 -0.08 8.23 -0.14 -1.24 -4.99 119.74 131.55 1dby s LYS 51 Ca 0.83 1.80 -0.01 0.00 -1.36 0.00 0.00 55.97 57.23 1dby s LYS 51 Cb -0.24 -3.56 0.03 0.00 -1.68 0.00 0.00 37.83 32.37 1dby s LYS 51 CO 0.34 -0.50 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.25 1dby s LEU 52 N 2.28 0.71 -0.89 3.17 2.96 -1.12 -4.38 118.68 121.42 1dby s LEU 52 Ca 0.59 -0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 54.15 1dby s LEU 52 Cb -0.28 -0.50 0.06 0.00 0.50 0.00 0.00 46.19 45.97 1dby s LEU 52 CO 0.24 -0.18 1.30 -0.75 -1.32 0.00 0.00 176.35 175.64 1dby s LYS 53 N 1.89 3.42 0.02 1.98 2.36 0.87 -4.85 119.74 125.43 1dby s LYS 53 Ca 0.04 -0.92 -0.30 0.00 -2.55 0.00 0.00 55.97 52.24 1dby s LYS 53 Cb -0.12 -4.83 -0.04 0.00 -1.05 0.00 0.00 37.83 31.79 1dby s LYS 53 CO -0.05 -2.09 1.01 0.00 1.55 0.00 0.00 175.35 175.77 1dby s VAL 55 N 0.94 0.00 -0.16 0.00 -7.23 0.11 -0.73 120.40 113.33 1dby s VAL 55 Ca 0.53 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1dby s VAL 55 Cb -0.22 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.31 1dby s VAL 55 CO 0.28 0.00 0.19 -0.54 -0.31 0.00 0.00 175.10 174.72 1dby s LYS 56 N -3.49 0.13 -0.23 4.82 1.02 -1.13 -0.73 119.74 120.13 1dby s LYS 56 Ca 0.28 0.30 -0.11 0.00 0.02 0.00 0.00 55.97 56.46 1dby s LYS 56 Cb 0.00 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.31 1dby s LYS 56 CO 0.15 -0.54 0.20 -1.17 -0.92 0.00 0.00 175.35 173.08 1dby s LEU 57 N 2.30 4.13 -0.50 3.17 0.20 0.48 -0.59 118.68 127.87 1dby s LEU 57 Ca 0.05 0.20 -0.28 0.00 0.69 0.00 0.00 54.13 54.79 1dby s LEU 57 Cb -0.14 -2.18 -0.01 0.00 -0.43 0.00 0.00 46.19 43.43 1dby s LEU 57 CO -0.10 0.05 1.67 0.21 -0.29 0.00 0.00 176.35 177.89 1dby s ASN 58 N 0.98 5.80 -0.05 3.68 3.84 -1.22 -0.75 114.94 127.23 1dby s ASN 58 Ca 0.10 0.64 -0.03 0.00 0.21 0.00 0.00 52.86 53.77 1dby s ASN 58 Cb -0.13 -2.53 -0.12 0.00 -0.55 0.00 0.00 41.25 37.91 1dby s ASN 58 CO 0.04 -1.90 2.90 0.41 -2.79 0.00 0.00 177.10 175.76 1dby n THR 59 N 7.15 2.65 0.00 -5.21 -1.04 0.80 0.12 114.28 118.75 1dby n THR 59 Ca 0.18 -1.24 0.00 0.00 -2.04 0.00 0.00 64.05 60.95 1dby n THR 59 Cb 0.49 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 1.92 0.00 0.17 8.00 -0.08 -1.26 -4.76 116.55 120.53 1dby n ASP 60 Ca 0.27 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.67 1dby n ASP 60 Cb 0.73 0.27 0.16 0.00 2.34 0.00 0.00 41.12 44.61 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 -2.04 -0.67 4.81 -1.95 -3.38 114.58 111.36 1dby h GLU 61 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 1dby h GLU 61 Cb 0.00 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 28.98 1dby h GLU 61 CO 0.00 0.00 -1.11 0.43 -0.73 0.00 0.00 179.01 177.60 1dby n SER 62 N -2.83 1.23 0.16 1.04 7.64 0.12 -4.78 113.62 116.20 1dby n SER 62 Ca 0.03 -3.06 0.05 0.00 1.01 0.00 0.00 58.87 56.90 1dby n SER 62 Cb 0.52 -0.62 0.14 0.00 -1.01 0.00 0.00 64.21 63.24 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 3.14 0.00 -0.03 1.43 0.13 -1.75 -3.30 132.00 131.62 1dby h PRO 63 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1dby h PRO 63 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1dby h PRO 63 CO 0.54 0.41 -0.07 -0.91 -0.23 0.00 0.00 178.00 177.74 1dby h ASN 64 N 0.00 -0.23 -0.71 1.44 2.35 -1.94 0.37 115.58 116.86 1dby h ASN 64 Ca -0.00 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1dby h ASN 64 Cb 1.20 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.62 1dby h ASN 64 CO 0.05 -0.06 0.43 0.58 -1.65 0.00 0.00 177.43 176.78 1dby h VAL 65 N -0.07 1.04 -0.95 2.81 2.07 -1.91 -0.77 116.25 118.47 1dby h VAL 65 Ca 0.01 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.36 1dby h VAL 65 Cb 0.09 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 29.93 1dby h VAL 65 CO -0.06 0.15 0.59 0.00 0.02 0.00 0.00 177.57 178.26 1dby h ALA 66 N 1.33 1.41 -0.15 1.67 0.00 -1.51 0.37 119.26 122.38 1dby h ALA 66 Ca 0.30 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1dby h ALA 66 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1dby h ALA 66 CO -0.14 0.20 -0.17 0.77 0.00 0.00 0.00 179.25 179.91 1dby h SER 67 N 0.95 0.41 -0.56 0.00 0.02 0.71 0.18 113.55 115.26 1dby h SER 67 Ca 0.47 -0.50 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1dby h SER 67 Cb 0.44 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1dby h SER 67 CO -0.26 0.82 0.23 -0.33 -1.14 0.00 0.00 176.83 176.16 1dby h GLU 68 N 0.00 0.42 0.01 3.45 5.08 -0.39 -2.45 114.58 120.70 1dby h GLU 68 Ca 0.02 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1dby h GLU 68 Cb 0.72 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1dby h GLU 68 CO 0.04 0.28 -0.99 1.88 -1.00 0.00 0.00 179.01 179.22 1dby h TYR 69 N 0.43 0.03 -1.20 4.33 -1.99 -0.95 -3.49 116.97 114.14 1dby h TYR 69 Ca 0.27 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1dby h TYR 69 Cb 0.28 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1dby h TYR 69 CO -0.14 0.99 0.00 0.41 -0.00 0.00 0.00 178.16 179.41 1dby n GLY 70 N 1.28 0.67 3.56 3.88 0.00 0.42 -4.97 105.19 110.01 1dby n GLY 70 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.21 3.42 -1.22 -0.61 -1.09 0.01 -4.87 121.20 114.63 1dby s ILE 71 Ca 0.00 -0.21 -0.20 0.00 -2.23 0.00 0.00 60.65 58.02 1dby s ILE 71 Cb 0.00 -3.98 0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1dby s ILE 71 CO 0.00 -0.93 1.73 -0.60 -1.23 0.00 0.00 174.94 173.90 1dby s ARG 72 N 7.02 3.64 0.63 2.79 3.52 -1.26 -4.78 118.95 130.50 1dby s ARG 72 Ca 0.69 -1.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 1dby s ARG 72 Cb -0.08 -5.45 0.00 0.00 -1.56 0.00 0.00 34.95 27.86 1dby s ARG 72 CO 0.05 -2.56 0.00 0.45 -0.81 0.00 0.00 175.30 172.43 1dby n SER 73 N 9.62 -2.57 -3.89 -2.12 2.88 -1.26 -4.97 113.62 111.30 1dby n SER 73 Ca 0.45 0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 58.21 1dby n SER 73 Cb 0.47 -0.88 -0.08 0.00 -0.75 0.00 0.00 64.21 62.97 1dby n SER 73 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1dby s ILE 74 N -0.83 0.14 0.29 2.46 -4.36 -1.26 -4.41 121.20 113.22 1dby s ILE 74 Ca 0.00 -1.13 -0.29 0.00 -0.26 0.00 0.00 60.65 58.97 1dby s ILE 74 Cb 0.00 -1.11 -0.10 0.00 1.25 0.00 0.00 42.46 42.50 1dby s ILE 74 CO 0.00 -0.62 1.29 -2.16 0.24 0.00 0.00 174.94 173.69 1dby s PRO 75 N -3.14 4.39 -0.32 0.37 0.04 -1.26 -4.82 135.00 130.26 1dby s PRO 75 Ca -0.01 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 1dby s PRO 75 Cb 0.02 -3.12 0.11 0.00 0.04 0.00 0.00 34.50 31.55 1dby s PRO 75 CO -0.07 -0.17 0.13 0.99 0.04 0.00 0.00 177.00 177.92 1dby s THR 76 N -0.75 0.60 -0.46 1.26 2.01 -1.18 -0.67 115.64 116.46 1dby s THR 76 Ca 0.51 -1.35 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 1dby s THR 76 Cb -0.38 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.70 1dby s THR 76 CO 0.47 -0.74 0.75 -0.63 -0.69 0.00 0.00 174.62 173.78 1dby s ILE 77 N 1.59 4.69 -0.00 1.82 1.01 0.22 -0.64 121.20 129.89 1dby s ILE 77 Ca 0.11 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.96 1dby s ILE 77 Cb -0.18 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1dby s ILE 77 CO -0.24 -0.73 0.28 -0.04 0.00 0.00 0.00 174.94 174.21 1dby s MET 78 N 3.18 3.61 -0.10 2.79 -1.94 -0.08 -0.36 119.30 126.40 1dby s MET 78 Ca 0.27 -0.01 0.01 0.00 -1.71 0.00 0.00 55.69 54.25 1dby s MET 78 Cb -0.13 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 1dby s MET 78 CO 0.21 0.66 -0.14 0.08 -0.01 0.00 0.00 175.02 175.83 1dby s VAL 79 N -1.25 3.05 0.18 -6.03 1.01 -0.06 -0.63 120.40 116.67 1dby s VAL 79 Ca 0.26 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1dby s VAL 79 Cb -0.13 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1dby s VAL 79 CO 0.14 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.34 1dby s PHE 80 N -0.03 1.44 -0.49 5.22 0.40 -0.04 -0.05 117.98 124.43 1dby s PHE 80 Ca -0.03 -0.75 0.05 0.00 -0.60 0.00 0.00 56.93 55.61 1dby s PHE 80 Cb -0.14 -0.74 0.21 0.00 0.51 0.00 0.00 43.02 42.85 1dby s PHE 80 CO 0.04 0.13 0.81 0.36 0.70 0.00 0.00 175.22 177.26 1dby n LYS 81 N -0.29 0.54 -1.12 0.44 0.00 -0.59 -0.10 118.16 117.04 1dby n LYS 81 Ca -0.09 -1.82 0.00 0.00 -0.00 0.00 0.00 58.31 56.40 1dby n LYS 81 Cb 0.61 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 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 2.58 0.03 5.00 2.58 0.00 -1.25 -4.43 105.19 109.70 1dby n GLY 82 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.77 1.25 3.84 -0.02 0.00 0.13 -4.91 105.19 104.72 1dby n GLY 83 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.85 -0.09 1.61 -0.14 -1.26 -4.79 119.74 118.91 1dby s LYS 84 Ca 0.00 0.96 -0.20 0.00 -1.36 0.00 0.00 55.97 55.37 1dby s LYS 84 Cb 0.00 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 1dby s LYS 84 CO 0.00 -0.36 0.55 0.21 -0.76 0.00 0.00 175.35 174.99 1dby s LYS 85 N -4.18 4.36 -0.15 1.68 2.20 -1.26 -1.54 119.74 120.85 1dby s LYS 85 Ca 0.59 0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 56.68 1dby s LYS 85 Cb -0.11 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1dby s LYS 85 CO 0.34 0.15 -0.08 0.00 -0.36 0.00 0.00 175.35 175.40 1dby s GLU 87 N -2.22 1.19 -0.06 0.00 2.02 -1.14 -4.98 118.70 113.52 1dby s GLU 87 Ca -0.16 -1.60 -0.02 0.00 0.02 0.00 0.00 54.97 53.20 1dby s GLU 87 Cb 0.03 -0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.15 1dby s GLU 87 CO 0.28 -0.23 0.11 -0.08 0.02 0.00 0.00 175.26 175.37 1dby s THR 88 N -3.79 -0.11 -0.29 3.63 -1.32 -1.26 -0.88 115.64 111.61 1dby s THR 88 Ca 0.30 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 1dby s THR 88 Cb 0.07 -0.21 0.09 0.00 -1.51 0.00 0.00 72.50 70.94 1dby s THR 88 CO 0.08 0.11 0.05 -0.63 -2.21 0.00 0.00 174.62 172.02 1dby s ILE 89 N 1.57 1.25 -0.13 5.08 1.01 0.52 -4.98 121.20 125.51 1dby s ILE 89 Ca -0.04 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.07 1dby s ILE 89 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1dby s ILE 89 CO -0.05 -0.50 0.13 -0.63 0.00 0.00 0.00 174.94 173.89 1dby s ILE 90 N 1.46 5.40 0.00 2.92 1.01 -1.26 -0.61 121.20 130.12 1dby s ILE 90 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1dby s ILE 90 Cb -0.18 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1dby s ILE 90 CO -0.16 0.59 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1dby n GLY 91 N 2.24 2.54 2.28 6.18 0.00 0.16 -4.81 105.19 113.78 1dby n GLY 91 Ca -0.19 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 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 1.13 4.27 -1.81 4.61 0.00 -1.26 -4.70 120.51 122.75 1dby n ALA 92 Ca 0.00 -1.25 -0.34 0.00 0.00 0.00 0.00 53.44 51.85 1dby n ALA 92 Cb 0.00 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 16.95 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 2.12 4.34 0.68 0.00 -7.23 -1.26 -5.03 120.40 114.03 1dby s VAL 93 Ca 0.39 1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 61.98 1dby s VAL 93 Cb 0.17 -3.69 0.01 0.00 0.56 0.00 0.00 36.38 33.44 1dby s VAL 93 CO -0.01 -0.22 1.11 -2.16 -0.31 0.00 0.00 175.10 173.51 1dby s PRO 94 N -2.94 2.69 0.25 4.82 0.04 -1.26 -4.88 135.00 133.73 1dby s PRO 94 Ca 0.60 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1dby s PRO 94 Cb -0.11 -1.94 0.50 0.00 0.04 0.00 0.00 34.50 32.99 1dby s PRO 94 CO 0.15 -1.33 1.66 -0.22 0.04 0.00 0.00 177.00 177.31 1dby h LYS 95 N -0.21 0.20 -0.97 4.56 1.63 -1.99 0.12 116.57 119.91 1dby h LYS 95 Ca -0.46 -0.01 0.32 0.00 -0.85 0.00 0.00 60.65 59.65 1dby h LYS 95 Cb 1.24 -0.05 -0.16 0.00 -0.60 0.00 0.00 32.23 32.67 1dby h LYS 95 CO 0.54 0.14 0.41 0.00 -3.45 0.00 0.00 179.45 177.09 1dby h ALA 96 N 1.67 1.75 0.06 5.00 0.00 -1.99 0.23 119.26 125.98 1dby h ALA 96 Ca 0.44 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 1dby h ALA 96 Cb 0.79 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dby h ALA 96 CO -0.58 -0.64 -0.03 1.15 0.00 0.00 0.00 179.25 179.15 1dby h THR 97 N 0.18 1.05 0.04 0.00 2.02 -1.11 -1.03 112.91 114.07 1dby h THR 97 Ca 0.70 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 67.54 1dby h THR 97 Cb 1.63 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 1dby h THR 97 CO -0.70 0.09 -0.17 0.40 0.37 0.00 0.00 175.52 175.52 1dby h ILE 98 N -0.24 0.61 0.23 3.11 5.03 -0.68 -0.21 117.51 125.36 1dby h ILE 98 Ca -0.01 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1dby h ILE 98 Cb 0.21 0.61 -0.04 0.00 -3.03 0.00 0.00 36.82 34.57 1dby h ILE 98 CO 0.01 0.00 -0.46 0.58 -0.68 0.00 0.00 178.15 177.61 1dby h VAL 99 N -0.30 0.10 -0.27 1.67 2.07 -0.66 0.16 116.25 119.03 1dby h VAL 99 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1dby h VAL 99 Cb 0.34 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1dby h VAL 99 CO -0.13 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 178.95 1dby h GLN 100 N -0.76 -0.01 0.57 1.57 4.20 -1.03 -0.14 115.11 119.51 1dby h GLN 100 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1dby h GLN 100 Cb 0.74 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1dby h GLN 100 CO -0.20 -0.01 -0.28 1.15 -0.67 0.00 0.00 178.83 178.83 1dby h THR 101 N -0.01 0.43 -0.86 -0.54 2.02 -0.70 0.72 112.91 113.97 1dby h THR 101 Ca 0.13 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1dby h THR 101 Cb 0.21 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1dby h THR 101 CO -0.29 0.01 0.56 1.62 0.37 0.00 0.00 175.52 177.79 1dby h VAL 102 N -0.79 1.19 -0.35 3.16 3.04 -0.53 -0.59 116.25 121.39 1dby h VAL 102 Ca -0.08 -0.39 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 1dby h VAL 102 Cb 0.60 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.82 1dby h VAL 102 CO 0.13 0.21 0.14 -0.33 -1.01 0.00 0.00 177.57 176.70 1dby h GLU 103 N 1.13 0.52 -0.85 4.17 5.08 -0.90 0.31 114.58 124.04 1dby h GLU 103 Ca 0.32 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 1dby h GLU 103 Cb -0.09 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 28.99 1dby h GLU 103 CO -0.08 0.52 0.47 -0.22 -1.00 0.00 0.00 179.01 178.70 1dby h LYS 104 N 0.42 0.71 -0.12 2.33 3.11 -0.05 0.74 116.57 123.70 1dby h LYS 104 Ca 0.12 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.76 1dby h LYS 104 Cb 0.19 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1dby h LYS 104 CO -0.01 0.47 -0.52 1.88 -2.81 0.00 0.00 179.45 178.46 1dby h TYR 105 N 0.73 0.76 0.00 1.91 0.05 -0.58 -3.43 116.97 116.41 1dby h TYR 105 Ca 0.44 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1dby h TYR 105 Cb 0.52 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1dby h TYR 105 CO -0.07 1.11 0.00 1.28 -1.05 0.00 0.00 178.16 179.43 1dby n LEU 106 N -4.20 0.10 0.00 3.88 4.77 0.11 -5.10 117.00 116.56 1dby n LEU 106 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1dby n LEU 106 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1dby n LEU 106 CO 0.47 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.07