#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 -1.99 2.12 1.02 -1.26 -4.49 120.64 116.04 1dby n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1dby n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 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 0.00 3.72 0.95 0.62 0.00 -1.26 -4.85 121.76 120.94 1dby s ALA 3 Ca 0.00 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1dby s ALA 3 Cb 0.00 -3.62 0.18 0.00 0.00 0.00 0.00 23.12 19.68 1dby s ALA 3 CO 0.00 -0.81 1.25 0.20 0.00 0.00 0.00 175.76 176.40 1dby s GLY 4 N 1.39 1.70 -0.04 0.00 0.00 -0.17 -4.85 107.32 105.35 1dby s GLY 4 Ca 0.69 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 44.48 1dby s GLY 4 CO 0.31 -0.28 -0.21 0.00 0.00 0.00 0.00 173.10 172.91 1dby s ALA 5 N -3.66 1.86 0.15 3.20 0.00 -1.26 -0.37 121.76 121.68 1dby s ALA 5 Ca 0.70 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1dby s ALA 5 Cb -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1dby s ALA 5 CO 0.53 0.37 0.02 0.14 0.00 0.00 0.00 175.76 176.81 1dby s VAL 6 N -0.15 0.45 0.22 0.00 -7.23 -0.08 -4.88 120.40 108.73 1dby s VAL 6 Ca -0.02 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1dby s VAL 6 Cb -0.12 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1dby s VAL 6 CO 0.02 -0.51 0.22 0.21 -0.31 0.00 0.00 175.10 174.73 1dby s ASN 7 N -3.11 0.13 0.29 4.85 3.84 -1.26 -1.84 114.94 117.84 1dby s ASN 7 Ca 0.23 -1.29 0.01 0.00 0.21 0.00 0.00 52.86 52.02 1dby s ASN 7 Cb 0.07 0.44 0.71 0.00 -0.55 0.00 0.00 41.25 41.91 1dby s ASN 7 CO 0.02 -0.92 1.50 -0.90 -2.79 0.00 0.00 177.10 174.01 1dby n ASP 8 N -0.33 -0.13 0.11 -4.21 5.68 -1.26 -0.16 116.55 116.25 1dby n ASP 8 Ca 0.01 1.63 -0.07 0.00 -0.50 0.00 0.00 54.79 55.86 1dby n ASP 8 Cb 0.65 -0.58 -0.04 0.00 -1.14 0.00 0.00 41.12 40.01 1dby n ASP 8 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1dby h ASP 9 N 0.00 -0.52 -0.46 -1.12 3.58 -1.98 -3.17 116.42 112.75 1dby h ASP 9 Ca 0.57 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.96 1dby h ASP 9 Cb 1.15 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 1dby h ASP 9 CO -0.91 -0.25 -0.09 0.71 -2.88 0.00 0.00 179.24 175.82 1dby h THR 10 N -0.39 1.27 -0.98 2.25 1.35 -1.71 -3.22 112.91 111.49 1dby h THR 10 Ca -0.02 -1.21 0.24 0.00 -0.55 0.00 0.00 66.41 64.87 1dby h THR 10 Cb 0.33 1.10 -0.18 0.00 -1.73 0.00 0.00 68.15 67.67 1dby h THR 10 CO -0.02 0.42 -0.08 0.33 -0.25 0.00 0.00 175.52 175.92 1dby n PHE 11 N -4.27 0.52 -0.11 4.73 7.35 0.77 -1.03 117.46 125.42 1dby n PHE 11 Ca 0.00 1.18 -0.04 0.00 -0.76 0.00 0.00 57.45 57.83 1dby n PHE 11 Cb 0.37 -1.17 -0.03 0.00 0.35 0.00 0.00 39.48 39.00 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 -0.04 -0.17 -4.13 1.57 -1.55 0.61 116.57 112.86 1dby h LYS 12 Ca 0.55 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.19 1dby h LYS 12 Cb 1.03 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1dby h LYS 12 CO -0.95 -0.02 -0.46 -0.91 -0.57 0.00 0.00 179.45 176.54 1dby h ASN 13 N -0.04 0.69 1.24 0.86 -0.26 -1.48 0.24 115.58 116.83 1dby h ASN 13 Ca 0.05 -0.58 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 1dby h ASN 13 Cb 0.15 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1dby h ASN 13 CO -0.28 1.15 0.00 0.58 -1.06 0.00 0.00 177.43 177.82 1dby h VAL 14 N 0.26 0.00 0.00 2.81 2.07 -0.85 -3.22 116.25 117.32 1dby h VAL 14 Ca -0.01 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1dby h VAL 14 Cb 1.07 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1dby h VAL 14 CO 0.10 0.00 -0.48 0.52 0.02 0.00 0.00 177.57 177.73 1dby n VAL 15 N -2.84 0.08 0.00 2.57 0.31 0.21 -4.84 118.33 113.82 1dby n VAL 15 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1dby n VAL 15 Cb 0.36 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1dby n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1dby n LEU 16 N -2.86 0.22 -1.54 7.52 4.77 0.08 -4.14 117.00 121.06 1dby n LEU 16 Ca 0.00 0.54 -0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1dby n LEU 16 Cb 0.24 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1dby n LEU 16 CO 0.00 -0.46 0.96 -0.62 -1.33 0.00 0.00 177.39 175.95 1dby n GLU 17 N -1.87 0.97 -3.36 3.23 4.71 0.61 0.23 120.64 125.17 1dby n GLU 17 Ca 0.00 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.16 56.75 1dby n GLU 17 Cb 0.00 -1.05 -0.06 0.00 -1.01 0.00 0.00 31.44 29.32 1dby n GLU 17 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1dby s SER 18 N 2.00 6.90 -0.11 1.62 0.01 -1.21 -4.89 113.70 118.03 1dby s SER 18 Ca 0.01 1.07 -0.14 0.00 1.31 0.00 0.00 55.95 58.21 1dby s SER 18 Cb 0.01 -2.31 -0.12 0.00 0.21 0.00 0.00 66.02 63.81 1dby s SER 18 CO 0.00 0.23 0.42 0.77 0.41 0.00 0.00 173.24 175.07 1dby h SER 19 N 5.06 -0.04 -4.25 2.44 4.64 -1.90 -0.58 113.55 118.93 1dby h SER 19 Ca -0.49 -0.41 -0.49 0.00 -0.47 0.00 0.00 61.79 59.94 1dby h SER 19 Cb 1.21 0.01 0.05 0.00 -0.31 0.00 0.00 62.40 63.36 1dby h SER 19 CO 0.65 0.65 0.38 0.68 -0.87 0.00 0.00 176.83 178.32 1dby s VAL 20 N -2.10 4.33 1.01 0.95 -7.23 -1.26 -4.56 120.40 111.53 1dby s VAL 20 Ca -0.09 0.99 -0.12 0.00 -1.81 0.00 0.00 61.98 60.95 1dby s VAL 20 Cb -0.01 -3.63 0.19 0.00 0.56 0.00 0.00 36.38 33.50 1dby s VAL 20 CO 0.32 -0.76 1.08 -2.16 -0.31 0.00 0.00 175.10 173.27 1dby s PRO 21 N -4.43 0.36 0.02 4.82 0.04 -1.26 -4.71 135.00 129.84 1dby s PRO 21 Ca 0.59 0.79 0.02 0.00 0.04 0.00 0.00 61.00 62.44 1dby s PRO 21 Cb -0.12 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1dby s PRO 21 CO 0.40 -2.85 -0.06 0.08 0.04 0.00 0.00 177.00 174.62 1dby s VAL 22 N -2.79 0.40 -0.35 -0.36 1.01 0.11 -0.33 120.40 118.09 1dby s VAL 22 Ca 0.66 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1dby s VAL 22 Cb -0.20 -0.41 0.11 0.00 0.00 0.00 0.00 36.38 35.87 1dby s VAL 22 CO 0.59 -0.14 0.10 -0.22 0.00 0.00 0.00 175.10 175.43 1dby s LEU 23 N -0.80 3.74 -0.24 3.92 0.20 0.26 -0.95 118.68 124.81 1dby s LEU 23 Ca -0.04 -2.10 -0.06 0.00 0.69 0.00 0.00 54.13 52.62 1dby s LEU 23 Cb -0.06 -1.33 -0.02 0.00 -0.43 0.00 0.00 46.19 44.35 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 0.99 3.96 -0.31 1.68 0.11 0.19 -0.05 120.40 126.97 1dby s VAL 24 Ca 0.12 -0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 1dby s VAL 24 Cb -0.19 -2.83 -0.01 0.00 -1.53 0.00 0.00 36.38 31.81 1dby s VAL 24 CO -0.12 0.37 0.60 -0.62 -3.33 0.00 0.00 175.10 172.01 1dby s ASP 25 N 1.53 6.46 -0.51 3.54 2.15 0.15 -0.57 116.67 129.42 1dby s ASP 25 Ca 0.06 0.37 -0.29 0.00 0.43 0.00 0.00 52.55 53.12 1dby s ASP 25 Cb -0.15 -2.32 0.03 0.00 -0.30 0.00 0.00 42.92 40.18 1dby s ASP 25 CO 0.01 -0.47 1.19 -0.36 -0.17 0.00 0.00 175.17 175.37 1dby s PHE 26 N 2.56 2.70 0.22 -5.34 0.40 0.20 -0.27 117.98 118.44 1dby s PHE 26 Ca 0.24 0.61 0.01 0.00 -0.60 0.00 0.00 56.93 57.20 1dby s PHE 26 Cb -0.15 -4.46 -0.01 0.00 0.51 0.00 0.00 43.02 38.92 1dby s PHE 26 CO 0.12 -1.46 0.05 -2.67 0.70 0.00 0.00 175.22 171.96 1dby n TRP 27 N 8.18 0.22 -3.58 0.36 4.27 -0.17 -3.44 117.44 123.28 1dby n TRP 27 Ca 0.11 -1.29 -0.10 0.00 -3.89 0.00 0.00 57.50 52.33 1dby n TRP 27 Cb 0.49 -0.05 -0.05 0.00 -1.36 0.00 0.00 31.31 30.33 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 -2.52 -1.94 0.23 -1.67 0.00 -1.26 -0.03 121.76 114.58 1dby s ALA 28 Ca 0.07 1.61 -0.06 0.00 0.00 0.00 0.00 51.96 53.58 1dby s ALA 28 Cb 0.00 -0.77 0.37 0.00 0.00 0.00 0.00 23.12 22.72 1dby s ALA 28 CO 0.05 -0.30 1.77 -1.00 0.00 0.00 0.00 175.76 176.28 1dby h PRO 29 N 2.72 0.55 0.00 0.00 0.13 -1.99 0.07 132.00 133.48 1dby h PRO 29 Ca -0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1dby h PRO 29 Cb 1.16 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1dby h PRO 29 CO 0.29 0.36 0.00 0.11 -0.23 0.00 0.00 178.00 178.54 1dby h TRP 30 N 0.57 0.00 -0.91 1.56 5.08 -2.01 -3.40 115.95 116.84 1dby h TRP 30 Ca 0.37 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.76 1dby h TRP 30 Cb 0.43 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.51 1dby h TRP 30 CO -0.12 0.00 1.65 0.00 -1.28 0.00 0.00 178.44 178.69 1dby n GLY 32 N 6.20 -2.38 0.22 0.00 0.00 -1.26 -0.39 105.19 107.58 1dby n GLY 32 Ca 0.41 1.07 0.16 0.00 0.00 0.00 0.00 46.02 47.66 1dby n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dby h PRO 33 N 0.00 0.00 0.05 1.61 0.13 -1.94 -1.45 132.00 130.39 1dby h PRO 33 Ca 0.14 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 1dby h PRO 33 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1dby h PRO 33 CO -0.84 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 176.49 1dby h ARG 35 N -0.78 0.01 -0.53 0.00 1.12 0.07 0.26 114.38 114.52 1dby h ARG 35 Ca -0.09 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.73 1dby h ARG 35 Cb 1.26 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.19 1dby h ARG 35 CO 0.02 0.00 0.16 -0.84 -3.11 0.00 0.00 179.97 176.20 1dby h ILE 36 N 0.01 1.21 0.00 1.20 3.07 -1.46 -2.60 117.51 118.93 1dby h ILE 36 Ca 0.22 -0.73 -0.11 0.00 1.55 0.00 0.00 64.86 65.79 1dby h ILE 36 Cb 0.33 0.64 -0.02 0.00 -0.27 0.00 0.00 36.82 37.51 1dby h ILE 36 CO -0.46 0.28 -0.54 0.16 -1.05 0.00 0.00 178.15 176.54 1dby h ILE 37 N 0.77 0.91 -0.99 0.16 3.07 -1.41 -3.38 117.51 116.63 1dby h ILE 37 Ca 0.18 -2.29 0.24 0.00 1.55 0.00 0.00 64.86 64.53 1dby h ILE 37 Cb 0.24 2.45 -0.19 0.00 -0.27 0.00 0.00 36.82 39.05 1dby h ILE 37 CO -0.01 0.52 -0.11 0.00 -1.05 0.00 0.00 178.15 177.50 1dby n ALA 38 N -2.23 0.37 -0.30 0.16 0.00 -0.00 0.70 120.51 119.21 1dby n ALA 38 Ca 0.02 1.08 -0.03 0.00 0.00 0.00 0.00 53.44 54.50 1dby n ALA 38 Cb 0.75 -0.72 0.12 0.00 0.00 0.00 0.00 19.45 19.60 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 1.18 -0.34 0.00 0.11 -1.74 0.37 132.00 131.58 1dby h PRO 39 Ca 0.54 -0.14 0.02 0.00 0.11 0.00 0.00 66.00 66.53 1dby h PRO 39 Cb 0.99 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 1dby h PRO 39 CO -0.98 0.88 0.18 0.28 -0.21 0.00 0.00 178.00 178.15 1dby h VAL 40 N 1.19 1.01 -0.75 3.15 2.07 0.04 -0.66 116.25 122.29 1dby h VAL 40 Ca 0.30 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1dby h VAL 40 Cb 0.05 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1dby h VAL 40 CO -0.05 0.07 0.50 0.58 0.02 0.00 0.00 177.57 178.69 1dby h VAL 41 N 0.37 1.19 0.48 2.57 2.07 0.26 0.41 116.25 123.61 1dby h VAL 41 Ca 0.14 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1dby h VAL 41 Cb 0.03 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1dby h VAL 41 CO -0.08 0.19 -0.32 0.44 0.02 0.00 0.00 177.57 177.81 1dby h ASP 42 N 1.02 -0.82 -0.62 0.57 3.32 -0.41 -0.63 116.42 118.84 1dby h ASP 42 Ca 0.27 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1dby h ASP 42 Cb -0.12 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1dby h ASP 42 CO -0.06 -0.50 0.25 1.05 -1.72 0.00 0.00 179.24 178.27 1dby h GLU 43 N -0.78 0.96 -0.59 3.56 4.11 -0.88 -0.77 114.58 120.19 1dby h GLU 43 Ca -0.05 -0.16 0.09 0.00 0.07 0.00 0.00 59.36 59.31 1dby h GLU 43 Cb 0.65 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1dby h GLU 43 CO 0.04 0.78 0.22 0.82 0.07 0.00 0.00 179.01 180.94 1dby h ILE 44 N 0.94 0.79 -0.04 -1.06 2.04 -0.70 0.11 117.51 119.58 1dby h ILE 44 Ca 0.22 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1dby h ILE 44 Cb 0.19 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1dby h ILE 44 CO -0.02 0.07 -0.14 0.00 0.00 0.00 0.00 178.15 178.07 1dby h ALA 45 N 1.40 -0.12 -0.92 1.87 0.00 0.03 0.49 119.26 122.00 1dby h ALA 45 Ca 0.29 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.48 1dby h ALA 45 Cb 0.35 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 1dby h ALA 45 CO -0.29 -0.62 0.39 0.78 0.00 0.00 0.00 179.25 179.51 1dby h GLY 46 N -0.21 1.63 0.42 0.00 0.00 0.30 0.53 103.07 105.75 1dby h GLY 46 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1dby h GLY 46 CO -0.16 -0.36 -0.09 0.83 0.00 0.00 0.00 176.54 176.75 1dby h GLU 47 N 0.32 -0.25 -0.42 4.80 5.08 -0.05 -3.35 114.58 120.70 1dby h GLU 47 Ca 0.61 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1dby h GLU 47 Cb 1.25 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1dby h GLU 47 CO -0.60 0.15 0.00 0.66 -1.00 0.00 0.00 179.01 178.22 1dby n TYR 48 N -4.97 0.56 -1.39 4.33 4.02 0.09 -4.99 117.16 114.81 1dby n TYR 48 Ca -0.08 -0.28 -0.39 0.00 -0.01 0.00 0.00 57.90 57.14 1dby n TYR 48 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1dby n LYS 49 N 0.83 0.34 0.00 -0.72 2.85 0.18 -1.14 118.16 120.50 1dby n LYS 49 Ca 0.16 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.55 1dby n LYS 49 Cb 0.40 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 1dby n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dby n ASP 50 N 1.35 0.00 0.10 -5.58 2.03 -1.26 -4.39 116.55 108.80 1dby n ASP 50 Ca 0.10 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.38 1dby n ASP 50 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dby h LYS 51 N 0.00 0.00 -3.22 -0.67 1.57 -1.90 -3.43 116.57 108.92 1dby h LYS 51 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1dby h LYS 51 Cb 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 31.94 1dby h LYS 51 CO 0.00 0.79 -0.68 -1.17 -0.57 0.00 0.00 179.45 177.82 1dby s LEU 52 N -6.92 0.15 -0.90 2.94 2.96 -0.29 -4.19 118.68 112.43 1dby s LEU 52 Ca 0.01 0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.88 1dby s LEU 52 Cb 0.10 0.09 0.04 0.00 0.50 0.00 0.00 46.19 46.92 1dby s LEU 52 CO 0.79 -0.23 1.41 -0.75 -1.32 0.00 0.00 176.35 176.24 1dby s LYS 53 N 2.08 3.38 0.09 1.98 2.36 0.56 -4.32 119.74 125.86 1dby s LYS 53 Ca 0.02 -0.71 -0.30 0.00 -2.55 0.00 0.00 55.97 52.43 1dby s LYS 53 Cb -0.12 -4.87 -0.05 0.00 -1.05 0.00 0.00 37.83 31.74 1dby s LYS 53 CO -0.04 -2.24 0.99 0.00 1.55 0.00 0.00 175.35 175.61 1dby s VAL 55 N 0.28 0.02 -0.18 0.00 1.01 0.92 -1.00 120.40 121.46 1dby s VAL 55 Ca 0.49 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1dby s VAL 55 Cb -0.23 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1dby s VAL 55 CO 0.30 -0.10 0.03 -0.54 0.00 0.00 0.00 175.10 174.78 1dby s LYS 56 N -4.06 0.66 -0.28 2.72 1.02 0.50 -0.68 119.74 119.62 1dby s LYS 56 Ca 0.27 -0.37 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 1dby s LYS 56 Cb 0.04 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1dby s LYS 56 CO 0.07 -0.60 0.65 -1.17 -0.92 0.00 0.00 175.35 173.38 1dby s LEU 57 N 1.87 4.10 -0.63 3.17 0.20 0.63 -0.90 118.68 127.11 1dby s LEU 57 Ca -0.00 0.58 -0.27 0.00 0.69 0.00 0.00 54.13 55.13 1dby s LEU 57 Cb -0.17 -2.86 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 1dby s LEU 57 CO -0.08 -0.45 1.74 0.21 -0.29 0.00 0.00 176.35 177.48 1dby s ASN 58 N 1.56 5.47 -0.58 3.68 3.84 -0.77 -1.00 114.94 127.15 1dby s ASN 58 Ca 0.26 0.19 -0.06 0.00 0.21 0.00 0.00 52.86 53.47 1dby s ASN 58 Cb -0.15 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 37.94 1dby s ASN 58 CO 0.10 -2.25 3.05 0.41 -2.79 0.00 0.00 177.10 175.62 1dby n THR 59 N 7.04 3.63 0.00 -5.21 -1.04 0.96 -0.01 114.28 119.65 1dby n THR 59 Ca 0.17 -2.60 0.00 0.00 -2.04 0.00 0.00 64.05 59.58 1dby n THR 59 Cb 0.51 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 1.94 0.00 0.13 8.00 -0.08 -1.26 -4.72 116.55 120.57 1dby n ASP 60 Ca 0.53 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.83 1dby n ASP 60 Cb 0.59 0.13 0.02 0.00 2.34 0.00 0.00 41.12 44.20 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 -1.69 -0.67 4.57 -1.91 -3.38 114.58 111.49 1dby h GLU 61 Ca 0.00 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.69 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 0.54 -1.01 0.45 -1.18 0.00 0.00 179.01 177.82 1dby n SER 62 N -3.24 2.40 0.24 1.04 2.88 0.99 -4.82 113.62 113.11 1dby n SER 62 Ca 0.02 -3.18 0.11 0.00 -1.33 0.00 0.00 58.87 54.49 1dby n SER 62 Cb 0.75 -0.56 0.54 0.00 -0.75 0.00 0.00 64.21 64.19 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dby h PRO 63 N 2.93 0.00 -0.57 -1.46 0.13 -1.78 -3.18 132.00 128.06 1dby h PRO 63 Ca 0.08 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.28 1dby h PRO 63 Cb 0.93 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.96 1dby h PRO 63 CO 0.62 0.18 -0.51 -0.91 -0.23 0.00 0.00 178.00 177.15 1dby h ASN 64 N 0.00 -1.77 0.22 1.44 4.21 -1.94 0.27 115.58 118.01 1dby h ASN 64 Ca -0.00 0.26 -0.00 0.00 1.21 0.00 0.00 56.30 57.77 1dby h ASN 64 Cb 0.64 0.76 -0.01 0.00 -1.12 0.00 0.00 38.32 38.59 1dby h ASN 64 CO 0.02 -0.35 -0.18 0.58 -1.29 0.00 0.00 177.43 176.22 1dby h VAL 65 N -0.27 0.62 -0.99 2.81 2.07 -1.97 0.79 116.25 119.31 1dby h VAL 65 Ca 0.13 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.81 1dby h VAL 65 Cb 0.56 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1dby h VAL 65 CO -0.69 0.00 0.60 0.00 0.02 0.00 0.00 177.57 177.50 1dby h ALA 66 N 0.34 1.57 -0.09 1.67 0.00 -1.46 0.17 119.26 121.47 1dby h ALA 66 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1dby h ALA 66 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dby h ALA 66 CO -0.02 0.04 -0.09 0.77 0.00 0.00 0.00 179.25 179.96 1dby h SER 67 N 0.83 0.23 -0.64 0.00 0.02 0.08 0.25 113.55 114.32 1dby h SER 67 Ca 0.54 -0.48 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1dby h SER 67 Cb 0.73 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 1dby h SER 67 CO -0.34 0.67 0.31 -0.33 -1.14 0.00 0.00 176.83 176.00 1dby h GLU 68 N -0.20 0.55 0.04 3.45 5.08 0.03 -2.15 114.58 121.38 1dby h GLU 68 Ca 0.01 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 1dby h GLU 68 Cb 0.60 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1dby h GLU 68 CO 0.02 0.36 -1.03 1.88 -1.00 0.00 0.00 179.01 179.24 1dby h TYR 69 N 0.57 0.20 -1.13 4.33 -1.99 -1.01 -3.49 116.97 114.45 1dby h TYR 69 Ca 0.30 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1dby h TYR 69 Cb 0.28 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1dby h TYR 69 CO -0.11 1.06 0.00 0.41 -0.00 0.00 0.00 178.16 179.52 1dby n GLY 70 N 1.28 0.47 3.75 3.88 0.00 0.66 -5.06 105.19 110.17 1dby n GLY 70 Ca -0.03 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.13 3.93 0.02 -0.61 1.01 0.02 -4.98 121.20 118.45 1dby s ILE 71 Ca 0.00 1.90 -0.17 0.00 0.00 0.00 0.00 60.65 62.37 1dby s ILE 71 Cb 0.00 -4.21 -0.32 0.00 0.01 0.00 0.00 42.46 37.94 1dby s ILE 71 CO 0.00 0.43 1.01 -0.09 0.00 0.00 0.00 174.94 176.30 1dby h ARG 72 N 4.22 0.51 0.00 2.79 1.12 -1.97 -3.47 114.38 117.58 1dby h ARG 72 Ca -0.45 -0.79 0.01 0.00 -1.11 0.00 0.00 59.98 57.64 1dby h ARG 72 Cb 1.20 0.28 -0.00 0.00 -0.01 0.00 0.00 29.97 31.45 1dby h ARG 72 CO 0.68 1.37 0.05 0.45 -3.11 0.00 0.00 179.97 179.41 1dby n SER 73 N -3.86 -0.17 -4.20 -3.80 2.88 -1.26 -5.18 113.62 98.02 1dby n SER 73 Ca -0.15 -1.10 -0.18 0.00 -1.33 0.00 0.00 58.87 56.11 1dby n SER 73 Cb 0.99 0.29 -0.11 0.00 -0.75 0.00 0.00 64.21 64.62 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 -2.59 1.19 0.66 2.46 -4.36 -1.26 -4.51 121.20 112.79 1dby s ILE 74 Ca 0.02 -1.53 -0.13 0.00 -0.26 0.00 0.00 60.65 58.75 1dby s ILE 74 Cb -0.00 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.39 1dby s ILE 74 CO 0.01 -0.35 1.07 -2.16 0.24 0.00 0.00 174.94 173.75 1dby s PRO 75 N -2.27 3.01 -0.30 0.37 0.04 -1.26 -4.90 135.00 129.68 1dby s PRO 75 Ca 0.04 1.14 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 1dby s PRO 75 Cb -0.07 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.64 1dby s PRO 75 CO 0.02 -1.06 0.63 0.99 0.04 0.00 0.00 177.00 177.62 1dby s THR 76 N -2.68 -0.99 -0.45 1.26 2.01 -1.22 -3.47 115.64 110.09 1dby s THR 76 Ca 0.62 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 1dby s THR 76 Cb -0.16 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.39 1dby s THR 76 CO 0.45 0.00 0.45 -0.63 -0.69 0.00 0.00 174.62 174.20 1dby s ILE 77 N 2.88 5.10 -0.03 1.82 1.01 0.59 -0.63 121.20 131.93 1dby s ILE 77 Ca 0.09 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1dby s ILE 77 Cb -0.14 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1dby s ILE 77 CO -0.20 -0.53 0.26 -0.04 0.00 0.00 0.00 174.94 174.43 1dby s MET 78 N 2.07 3.60 -0.17 2.79 -1.94 0.26 -0.08 119.30 125.82 1dby s MET 78 Ca 0.10 -0.00 -0.06 0.00 -1.71 0.00 0.00 55.69 54.02 1dby s MET 78 Cb -0.19 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.48 1dby s MET 78 CO 0.11 0.69 0.02 0.08 -0.01 0.00 0.00 175.02 175.91 1dby s VAL 79 N -1.19 4.37 0.16 -6.03 1.01 -0.00 -0.64 120.40 118.08 1dby s VAL 79 Ca 0.24 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1dby s VAL 79 Cb -0.13 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1dby s VAL 79 CO 0.12 0.47 -0.05 -0.36 0.00 0.00 0.00 175.10 175.28 1dby s PHE 80 N 0.41 1.25 -0.15 5.22 0.40 -0.12 -0.37 117.98 124.61 1dby s PHE 80 Ca -0.00 -0.88 -0.30 0.00 -0.60 0.00 0.00 56.93 55.15 1dby s PHE 80 Cb -0.13 -0.68 0.13 0.00 0.51 0.00 0.00 43.02 42.85 1dby s PHE 80 CO 0.02 -0.05 1.05 -1.59 0.70 0.00 0.00 175.22 175.35 1dby s LYS 81 N -3.82 0.53 -1.61 0.44 0.00 -0.06 0.09 119.74 115.31 1dby s LYS 81 Ca 0.20 0.02 -0.10 0.00 0.00 0.00 0.00 55.97 56.09 1dby s LYS 81 Cb 0.04 0.25 0.09 0.00 0.00 0.00 0.00 37.83 38.21 1dby s LYS 81 CO 0.02 -0.19 0.53 0.41 0.00 0.00 0.00 175.35 176.12 1dby n GLY 82 N 0.44 -0.32 2.56 0.59 0.00 -0.22 -0.66 105.19 107.57 1dby n GLY 82 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.74 0.37 3.16 -0.02 0.00 0.14 -4.99 105.19 102.10 1dby n GLY 83 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.68 0.87 0.21 1.61 -0.14 0.17 -4.94 119.74 116.84 1dby s LYS 84 Ca 0.00 -1.39 -0.12 0.00 -1.36 0.00 0.00 55.97 53.11 1dby s LYS 84 Cb 0.00 0.07 -0.07 0.00 -1.68 0.00 0.00 37.83 36.15 1dby s LYS 84 CO 0.00 -0.16 0.57 0.21 -0.76 0.00 0.00 175.35 175.20 1dby s LYS 85 N -3.96 3.88 -0.17 1.68 2.20 -1.26 -0.88 119.74 121.23 1dby s LYS 85 Ca 0.18 0.38 -0.17 0.00 -0.36 0.00 0.00 55.97 56.01 1dby s LYS 85 Cb 0.07 -2.72 -0.06 0.00 -1.51 0.00 0.00 37.83 33.61 1dby s LYS 85 CO -0.02 0.36 -0.32 0.00 -0.36 0.00 0.00 175.35 175.00 1dby n GLU 87 N -4.32 0.00 -4.02 0.00 -0.00 -1.23 -5.03 120.64 106.05 1dby n GLU 87 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 56.93 1dby n GLU 87 Cb 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.87 1dby n GLU 87 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1dby s THR 88 N -2.78 0.00 -0.05 3.84 -1.32 -1.26 -0.82 115.64 113.26 1dby s THR 88 Ca 0.00 -1.45 -0.06 0.00 -1.21 0.00 0.00 61.69 58.97 1dby s THR 88 Cb 0.00 -2.34 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 1dby s THR 88 CO 0.00 0.00 0.15 -0.63 -2.21 0.00 0.00 174.62 171.93 1dby s ILE 89 N -3.74 0.02 0.26 5.08 1.01 0.88 -4.96 121.20 119.74 1dby s ILE 89 Ca 0.24 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 1dby s ILE 89 Cb -0.00 -0.26 -0.09 0.00 0.01 0.00 0.00 42.46 42.11 1dby s ILE 89 CO 0.12 -0.08 0.95 -0.63 0.00 0.00 0.00 174.94 175.29 1dby s ILE 90 N -0.22 4.06 0.00 2.92 1.01 -1.26 -0.30 121.20 127.41 1dby s ILE 90 Ca -0.03 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1dby s ILE 90 Cb -0.02 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1dby s ILE 90 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1dby n GLY 91 N 1.32 0.91 3.72 6.18 0.00 -1.23 -4.69 105.19 111.41 1dby n GLY 91 Ca -0.01 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.21 -2.43 4.61 0.00 -1.26 -4.96 120.51 112.26 1dby n ALA 92 Ca 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1dby n ALA 92 Cb 0.00 -4.19 -0.11 0.00 0.00 0.00 0.00 19.45 15.16 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 -3.22 2.07 0.31 0.00 -7.23 -1.26 -5.12 120.40 105.94 1dby s VAL 93 Ca 0.58 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 1dby s VAL 93 Cb -0.29 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.49 1dby s VAL 93 CO 0.72 -0.38 1.21 -2.84 -0.31 0.00 0.00 175.10 173.50 1dby s PRO 94 N -3.18 4.49 0.59 4.82 0.02 -1.26 -4.91 135.00 135.57 1dby s PRO 94 Ca 0.22 2.01 0.30 0.00 0.02 0.00 0.00 61.00 63.55 1dby s PRO 94 Cb -0.05 -3.12 1.75 0.00 0.02 0.00 0.00 34.50 33.10 1dby s PRO 94 CO 0.09 0.00 2.16 -0.22 -0.33 0.00 0.00 177.00 178.71 1dby h LYS 95 N 3.57 0.00 -0.81 5.54 3.64 -1.99 -0.99 116.57 125.53 1dby h LYS 95 Ca -0.48 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.09 1dby h LYS 95 Cb 1.22 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 1dby h LYS 95 CO 0.66 0.00 0.25 0.00 -2.27 0.00 0.00 179.45 178.09 1dby h ALA 96 N 1.85 1.14 0.05 5.00 0.00 -2.00 0.20 119.26 125.51 1dby h ALA 96 Ca 0.05 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dby h ALA 96 Cb 0.29 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dby h ALA 96 CO -0.00 -0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.02 1dby h THR 97 N 0.30 0.96 -0.00 0.00 2.02 -1.56 -2.31 112.91 112.33 1dby h THR 97 Ca 0.48 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.65 1dby h THR 97 Cb 0.87 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1dby h THR 97 CO -0.54 0.01 -0.16 0.40 0.37 0.00 0.00 175.52 175.60 1dby h ILE 98 N -0.08 0.61 0.29 3.11 1.08 -1.02 -0.12 117.51 121.38 1dby h ILE 98 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1dby h ILE 98 Cb 0.07 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 1dby h ILE 98 CO 0.01 0.00 -0.47 0.58 -0.69 0.00 0.00 178.15 177.58 1dby h VAL 99 N -0.26 0.08 -0.19 1.67 2.07 -0.62 0.21 116.25 119.21 1dby h VAL 99 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1dby h VAL 99 Cb 0.33 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1dby h VAL 99 CO -0.16 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.76 1dby h GLN 100 N -0.83 -0.25 -0.48 1.57 4.20 -1.27 0.06 115.11 118.12 1dby h GLN 100 Ca -0.02 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1dby h GLN 100 Cb 0.78 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.55 1dby h GLN 100 CO -0.17 -0.17 0.09 1.15 -0.67 0.00 0.00 178.83 179.07 1dby h THR 101 N -0.26 0.73 -0.07 -0.54 2.02 -0.64 0.13 112.91 114.28 1dby h THR 101 Ca 0.12 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1dby h THR 101 Cb 0.44 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1dby h THR 101 CO -0.34 0.04 -0.02 0.58 0.37 0.00 0.00 175.52 176.15 1dby h VAL 102 N 0.23 0.93 -0.58 3.16 2.07 0.14 -0.68 116.25 121.52 1dby h VAL 102 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 1dby h VAL 102 Cb 0.32 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1dby h VAL 102 CO -0.32 0.00 0.32 -0.33 0.02 0.00 0.00 177.57 177.26 1dby h GLU 103 N -0.00 0.60 -0.26 1.57 4.39 -0.41 0.19 114.58 120.65 1dby h GLU 103 Ca 0.03 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1dby h GLU 103 Cb 0.05 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1dby h GLU 103 CO -0.07 0.40 -0.15 -0.22 -1.16 0.00 0.00 179.01 177.80 1dby h LYS 104 N 0.62 -0.13 -0.25 2.33 1.63 -0.26 -2.75 116.57 117.75 1dby h LYS 104 Ca 0.25 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.99 1dby h LYS 104 Cb 0.11 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1dby h LYS 104 CO -0.14 -0.08 -0.09 1.88 -3.45 0.00 0.00 179.45 177.56 1dby h TYR 105 N -0.13 0.56 -0.82 1.91 0.05 -0.52 -3.32 116.97 114.70 1dby h TYR 105 Ca 0.14 -0.13 -0.73 0.00 0.05 0.00 0.00 58.73 58.06 1dby h TYR 105 Cb 0.34 -0.13 -0.10 0.00 1.01 0.00 0.00 36.73 37.85 1dby h TYR 105 CO -0.33 0.74 2.46 1.28 -1.05 0.00 0.00 178.16 181.25 1dby n LEU 106 N -4.52 6.56 0.00 3.88 4.77 0.60 -5.11 117.00 123.18 1dby n LEU 106 Ca -0.04 -4.38 0.00 0.00 -0.03 0.00 0.00 56.01 51.56 1dby n LEU 106 Cb 0.32 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 1dby n LEU 106 CO 0.40 1.15 0.00 -3.20 -1.33 0.00 0.00 177.39 174.41