#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 -1.88 3.17 4.71 -1.26 -4.99 120.64 120.39 1dby n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1dby n GLU 2 Cb 0.00 -0.70 -0.03 0.00 -1.01 0.00 0.00 31.44 29.70 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 -1.94 3.66 0.91 0.62 0.00 -1.26 -4.86 121.76 118.89 1dby s ALA 3 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1dby s ALA 3 Cb 0.00 -3.74 0.14 0.00 0.00 0.00 0.00 23.12 19.52 1dby s ALA 3 CO 0.00 -1.27 1.10 0.20 0.00 0.00 0.00 175.76 175.79 1dby s GLY 4 N 3.02 1.60 -0.21 0.00 0.00 -1.16 -4.81 107.32 105.76 1dby s GLY 4 Ca 0.77 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 45.25 1dby s GLY 4 CO 0.34 0.31 -0.09 0.00 0.00 0.00 0.00 173.10 173.65 1dby s ALA 5 N -3.01 2.67 0.29 3.20 0.00 -1.26 -0.67 121.76 122.98 1dby s ALA 5 Ca 0.64 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 51.48 1dby s ALA 5 Cb -0.17 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1dby s ALA 5 CO 0.56 -0.44 0.07 0.14 0.00 0.00 0.00 175.76 176.10 1dby s VAL 6 N 1.41 3.46 0.24 0.00 -7.23 0.24 -4.93 120.40 113.60 1dby s VAL 6 Ca 0.05 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1dby s VAL 6 Cb -0.14 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 1dby s VAL 6 CO -0.06 -0.31 0.14 0.21 -0.31 0.00 0.00 175.10 174.77 1dby s ASN 7 N -3.75 0.77 0.32 4.85 3.84 -1.26 -3.39 114.94 116.31 1dby s ASN 7 Ca 0.34 -1.45 0.05 0.00 0.21 0.00 0.00 52.86 52.00 1dby s ASN 7 Cb -0.05 0.35 0.86 0.00 -0.55 0.00 0.00 41.25 41.85 1dby s ASN 7 CO 0.21 -0.85 1.56 0.47 -2.79 0.00 0.00 177.10 175.70 1dby n ASP 8 N -0.56 -0.04 0.00 -4.21 8.00 -1.26 -0.58 116.55 117.90 1dby n ASP 8 Ca 0.02 1.68 0.00 0.00 0.71 0.00 0.00 54.79 57.20 1dby n ASP 8 Cb 0.65 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 -5.45 0.00 -0.35 -2.24 2.03 -1.26 -4.01 116.55 105.28 1dby n ASP 9 Ca 0.26 0.47 0.23 0.00 0.52 0.00 0.00 54.79 56.27 1dby n ASP 9 Cb 0.85 -0.11 0.47 0.00 -0.72 0.00 0.00 41.12 41.61 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 0.41 -0.99 5.18 1.35 -1.87 0.40 112.91 117.39 1dby h THR 10 Ca 0.00 -0.14 0.28 0.00 -0.55 0.00 0.00 66.41 66.00 1dby h THR 10 Cb 0.00 -0.02 -0.18 0.00 -1.73 0.00 0.00 68.15 66.21 1dby h THR 10 CO 0.00 0.07 0.03 0.33 -0.25 0.00 0.00 175.52 175.71 1dby n PHE 11 N -4.85 0.64 -0.06 4.73 7.35 0.25 -0.51 117.46 125.01 1dby n PHE 11 Ca 0.29 1.19 -0.11 0.00 -0.76 0.00 0.00 57.45 58.06 1dby n PHE 11 Cb 0.93 -1.25 -0.05 0.00 0.35 0.00 0.00 39.48 39.46 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 -0.39 0.06 -4.13 1.57 -1.04 0.39 116.57 113.02 1dby h LYS 12 Ca 0.60 0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 59.18 1dby h LYS 12 Cb 1.26 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1dby h LYS 12 CO -0.92 -0.26 -1.06 -0.91 -0.57 0.00 0.00 179.45 175.73 1dby h ASN 13 N -0.41 0.32 0.52 0.86 -0.26 -1.07 0.62 115.58 116.16 1dby h ASN 13 Ca 0.11 -0.30 -0.19 0.00 -0.56 0.00 0.00 56.30 55.35 1dby h ASN 13 Cb 0.60 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.73 1dby h ASN 13 CO -0.48 1.18 -1.63 0.52 -1.06 0.00 0.00 177.43 175.96 1dby n VAL 14 N -3.57 1.14 -0.01 2.81 0.31 0.33 -4.18 118.33 115.16 1dby n VAL 14 Ca -0.05 -0.71 -0.03 0.00 -0.01 0.00 0.00 64.34 63.54 1dby n VAL 14 Cb 0.92 -0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 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 -2.82 0.30 0.11 2.52 0.31 0.13 -4.65 118.33 114.23 1dby n VAL 15 Ca -0.13 0.01 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 1dby n VAL 15 Cb 0.88 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 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 -0.10 -0.30 -2.36 7.52 3.38 -1.22 -3.34 115.31 118.88 1dby h LEU 16 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dby h LEU 16 Cb 0.94 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1dby h LEU 16 CO -0.04 0.06 0.00 1.21 0.09 0.00 0.00 178.44 179.76 1dby n GLU 17 N -4.50 0.88 -3.30 1.13 2.13 0.20 0.25 120.64 117.43 1dby n GLU 17 Ca -0.04 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.39 1dby n GLU 17 Cb 0.14 -1.06 -0.06 0.00 0.27 0.00 0.00 31.44 30.73 1dby n GLU 17 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1dby s SER 18 N 1.32 6.79 -0.11 4.31 0.01 -1.25 -4.86 113.70 119.90 1dby s SER 18 Ca 0.00 0.94 -0.20 0.00 1.31 0.00 0.00 55.95 58.00 1dby s SER 18 Cb 0.00 -2.31 -0.17 0.00 0.21 0.00 0.00 66.02 63.75 1dby s SER 18 CO 0.00 0.07 0.59 0.77 0.41 0.00 0.00 173.24 175.08 1dby h SER 19 N 6.17 -0.02 -4.14 2.44 4.64 -1.94 -0.90 113.55 119.80 1dby h SER 19 Ca -0.44 -0.63 -0.47 0.00 -0.47 0.00 0.00 61.79 59.79 1dby h SER 19 Cb 1.19 0.01 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1dby h SER 19 CO 0.72 0.77 0.37 0.68 -0.87 0.00 0.00 176.83 178.50 1dby s VAL 20 N -2.25 4.22 0.89 0.95 -7.23 -1.26 -4.69 120.40 111.03 1dby s VAL 20 Ca -0.13 1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 61.12 1dby s VAL 20 Cb -0.02 -3.57 0.13 0.00 0.56 0.00 0.00 36.38 33.48 1dby s VAL 20 CO 0.47 -0.48 1.10 -2.16 -0.31 0.00 0.00 175.10 173.73 1dby s PRO 21 N -3.69 1.30 -0.18 4.82 0.04 -1.26 -4.78 135.00 131.25 1dby s PRO 21 Ca 0.62 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 1dby s PRO 21 Cb -0.12 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1dby s PRO 21 CO 0.26 -2.16 0.45 0.08 0.04 0.00 0.00 177.00 175.66 1dby s VAL 22 N -3.05 -0.01 -0.34 -0.36 1.01 0.59 -3.46 120.40 114.78 1dby s VAL 22 Ca 0.63 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 1dby s VAL 22 Cb -0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1dby s VAL 22 CO 0.56 0.02 0.28 -0.22 0.00 0.00 0.00 175.10 175.74 1dby s LEU 23 N 0.87 4.50 -0.35 3.92 0.20 -1.09 -0.65 118.68 126.08 1dby s LEU 23 Ca -0.05 -0.36 -0.13 0.00 0.69 0.00 0.00 54.13 54.28 1dby s LEU 23 Cb -0.06 -2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 43.49 1dby s LEU 23 CO -0.07 -0.27 0.24 -0.69 -0.29 0.00 0.00 176.35 175.27 1dby s VAL 24 N 1.82 5.14 -0.32 1.68 1.01 0.97 0.05 120.40 130.74 1dby s VAL 24 Ca 0.08 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1dby s VAL 24 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1dby s VAL 24 CO 0.11 -0.06 0.79 -0.62 0.00 0.00 0.00 175.10 175.32 1dby s ASP 25 N 1.69 6.64 -0.44 3.32 2.15 -0.16 -1.07 116.67 128.80 1dby s ASP 25 Ca 0.05 0.60 -0.29 0.00 0.43 0.00 0.00 52.55 53.34 1dby s ASP 25 Cb -0.18 -2.41 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 1dby s ASP 25 CO 0.10 -0.65 1.21 -0.36 -0.17 0.00 0.00 175.17 175.30 1dby s PHE 26 N 3.00 2.74 0.13 -5.34 0.40 0.08 -0.75 117.98 118.24 1dby s PHE 26 Ca 0.32 0.75 0.00 0.00 -0.60 0.00 0.00 56.93 57.41 1dby s PHE 26 Cb -0.14 -4.33 -0.00 0.00 0.51 0.00 0.00 43.02 39.06 1dby s PHE 26 CO 0.14 -1.42 0.02 -2.67 0.70 0.00 0.00 175.22 171.98 1dby n TRP 27 N 7.99 0.22 -3.59 0.36 4.27 0.13 -3.41 117.44 123.40 1dby n TRP 27 Ca 0.13 -0.72 -0.07 0.00 -3.89 0.00 0.00 57.50 52.95 1dby n TRP 27 Cb 0.48 -0.06 -0.04 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 -2.27 -2.00 0.20 -1.67 0.00 -1.26 -0.19 121.76 114.57 1dby s ALA 28 Ca 0.02 1.64 -0.10 0.00 0.00 0.00 0.00 51.96 53.52 1dby s ALA 28 Cb 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 23.12 22.45 1dby s ALA 28 CO 0.02 -0.35 1.82 -1.00 0.00 0.00 0.00 175.76 176.25 1dby h PRO 29 N 2.31 1.00 0.00 0.00 0.13 -2.00 -0.87 132.00 132.56 1dby h PRO 29 Ca -0.14 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1dby h PRO 29 Cb 1.17 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1dby h PRO 29 CO 0.27 0.75 0.00 0.11 -0.23 0.00 0.00 178.00 178.90 1dby h TRP 30 N 0.99 0.00 -1.05 1.56 5.08 -2.02 -3.40 115.95 117.11 1dby h TRP 30 Ca 0.25 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 59.60 1dby h TRP 30 Cb 0.03 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.10 1dby h TRP 30 CO -0.00 0.00 1.68 0.00 -1.28 0.00 0.00 178.44 178.83 1dby n GLY 32 N 6.52 -2.62 0.34 0.00 0.00 -1.26 -0.47 105.19 107.69 1dby n GLY 32 Ca 0.37 1.06 0.23 0.00 0.00 0.00 0.00 46.02 47.68 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 0.00 1.61 0.13 -1.91 -1.21 132.00 130.63 1dby h PRO 33 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 1dby h PRO 33 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1dby h PRO 33 CO -0.77 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 176.67 1dby h ARG 35 N -1.00 0.18 0.00 0.00 9.65 -0.03 0.18 114.38 123.36 1dby h ARG 35 Ca -0.09 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1dby h ARG 35 Cb 1.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1dby h ARG 35 CO -0.05 0.12 0.00 -0.84 2.80 0.00 0.00 179.97 181.99 1dby h ILE 36 N 0.18 0.00 0.00 1.20 -0.00 -1.42 -2.73 117.51 114.74 1dby h ILE 36 Ca 0.33 -0.42 -0.23 0.00 -0.00 0.00 0.00 64.86 64.54 1dby h ILE 36 Cb 0.53 1.34 -0.04 0.00 -0.00 0.00 0.00 36.82 38.65 1dby h ILE 36 CO -0.48 0.00 -1.48 0.40 -0.00 0.00 0.00 178.15 176.58 1dby h ILE 37 N 0.00 0.81 -0.95 0.16 1.08 -0.82 -3.40 117.51 114.38 1dby h ILE 37 Ca 0.00 -2.50 0.25 0.00 -0.39 0.00 0.00 64.86 62.22 1dby h ILE 37 Cb 0.47 2.32 -0.18 0.00 -3.07 0.00 0.00 36.82 36.36 1dby h ILE 37 CO 0.00 0.46 -0.04 0.00 -0.69 0.00 0.00 178.15 177.88 1dby n ALA 38 N -2.47 0.43 -0.14 1.87 0.00 -0.04 0.30 120.51 120.46 1dby n ALA 38 Ca -0.12 1.03 -0.07 0.00 0.00 0.00 0.00 53.44 54.28 1dby n ALA 38 Cb 0.95 -0.72 0.09 0.00 0.00 0.00 0.00 19.45 19.77 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 0.90 0.39 0.00 0.11 -1.77 -0.29 132.00 131.33 1dby h PRO 39 Ca 0.55 -0.29 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 1dby h PRO 39 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1dby h PRO 39 CO -0.92 0.93 -0.19 0.28 -0.21 0.00 0.00 178.00 177.90 1dby h VAL 40 N 0.82 0.36 -0.80 3.15 2.07 -0.41 0.61 116.25 122.05 1dby h VAL 40 Ca 0.14 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 67.12 1dby h VAL 40 Cb 0.57 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1dby h VAL 40 CO 0.03 0.08 0.43 1.62 0.02 0.00 0.00 177.57 179.75 1dby h VAL 41 N -1.01 0.83 0.61 2.57 3.04 -0.79 0.72 116.25 122.22 1dby h VAL 41 Ca -0.05 -0.24 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1dby h VAL 41 Cb 0.53 0.09 0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1dby h VAL 41 CO 0.09 0.13 -0.29 -0.78 -1.01 0.00 0.00 177.57 175.70 1dby h ASP 42 N 0.69 -0.69 -0.87 3.17 3.58 -0.98 -0.51 116.42 120.80 1dby h ASP 42 Ca 0.41 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.88 1dby h ASP 42 Cb 0.46 0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 1dby h ASP 42 CO -0.29 -0.46 0.57 1.05 -2.88 0.00 0.00 179.24 177.23 1dby h GLU 43 N -0.86 1.11 -0.66 0.28 4.11 -0.52 0.41 114.58 118.45 1dby h GLU 43 Ca -0.08 -0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.35 1dby h GLU 43 Cb 0.64 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1dby h GLU 43 CO 0.14 0.73 0.33 0.82 0.07 0.00 0.00 179.01 181.11 1dby h ILE 44 N 1.14 0.90 0.05 -1.06 2.04 -0.75 0.10 117.51 119.94 1dby h ILE 44 Ca 0.33 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1dby h ILE 44 Cb -0.07 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.22 1dby h ILE 44 CO -0.09 0.11 -0.22 0.00 0.00 0.00 0.00 178.15 177.95 1dby h ALA 45 N 1.38 -0.33 -0.90 1.87 0.00 0.58 -2.10 119.26 119.76 1dby h ALA 45 Ca 0.31 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.45 1dby h ALA 45 Cb 0.27 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 1dby h ALA 45 CO -0.23 -0.73 0.23 0.78 0.00 0.00 0.00 179.25 179.30 1dby h GLY 46 N -0.38 1.40 1.01 0.00 0.00 0.88 0.71 103.07 106.69 1dby h GLY 46 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1dby h GLY 46 CO -0.17 -0.41 0.48 0.83 0.00 0.00 0.00 176.54 177.27 1dby h GLU 47 N 0.18 1.06 0.00 4.80 5.08 -0.19 -3.33 114.58 122.17 1dby h GLU 47 Ca 0.57 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1dby h GLU 47 Cb 1.19 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1dby h GLU 47 CO -0.69 0.74 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 1dby n TYR 48 N -4.49 0.00 -0.32 4.33 4.02 -0.30 -4.88 117.16 115.52 1dby n TYR 48 Ca 0.08 -0.44 0.28 0.00 -0.01 0.00 0.00 57.90 57.81 1dby n TYR 48 Cb 0.05 -0.04 0.52 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.44 -0.06 -0.33 -0.72 2.85 0.23 -1.02 118.16 118.67 1dby n LYS 49 Ca 0.00 1.39 0.26 0.00 -1.05 0.00 0.00 58.31 58.91 1dby n LYS 49 Cb 0.27 -2.44 0.49 0.00 -0.65 0.00 0.00 35.03 32.70 1dby n LYS 49 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1dby h ASP 50 N 0.00 0.35 0.00 -5.58 5.19 -1.89 -3.37 116.42 111.12 1dby h ASP 50 Ca 0.79 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 57.42 1dby h ASP 50 Cb 2.02 0.21 0.00 0.00 0.18 0.00 0.00 39.33 41.75 1dby h ASP 50 CO -0.80 -0.26 -0.22 0.29 -3.12 0.00 0.00 179.24 175.13 1dby n LYS 51 N -5.16 0.00 -2.09 3.56 5.02 -0.19 -5.15 118.16 114.14 1dby n LYS 51 Ca 0.33 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.35 1dby n LYS 51 Cb 1.06 -0.19 0.09 0.00 -0.02 0.00 0.00 35.03 35.97 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 -6.07 2.71 -0.86 -0.35 2.96 -0.34 -4.74 118.68 111.99 1dby s LEU 52 Ca 0.00 0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 54.18 1dby s LEU 52 Cb 0.00 -3.07 0.01 0.00 0.50 0.00 0.00 46.19 43.63 1dby s LEU 52 CO 0.00 -1.79 1.63 -1.59 -1.32 0.00 0.00 176.35 173.27 1dby s LYS 53 N -5.40 3.05 -0.18 1.98 0.00 -1.22 -4.55 119.74 113.42 1dby s LYS 53 Ca 0.62 -0.41 -0.07 0.00 0.00 0.00 0.00 55.97 56.11 1dby s LYS 53 Cb -0.10 -4.87 0.08 0.00 0.00 0.00 0.00 37.83 32.94 1dby s LYS 53 CO 0.47 -2.62 0.39 0.00 0.00 0.00 0.00 175.35 173.59 1dby s VAL 55 N 2.32 0.00 -0.08 0.00 1.01 0.11 -2.99 120.40 120.77 1dby s VAL 55 Ca -0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1dby s VAL 55 Cb -0.11 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1dby s VAL 55 CO -0.12 -0.02 -0.04 -0.54 0.00 0.00 0.00 175.10 174.38 1dby s LYS 56 N -3.86 1.05 -0.25 2.72 1.02 0.16 -0.99 119.74 119.59 1dby s LYS 56 Ca 0.08 -0.10 -0.08 0.00 0.02 0.00 0.00 55.97 55.89 1dby s LYS 56 Cb -0.03 -1.19 -0.03 0.00 -0.52 0.00 0.00 37.83 36.06 1dby s LYS 56 CO -0.01 -0.22 0.09 -1.17 -0.92 0.00 0.00 175.35 173.12 1dby s LEU 57 N 1.56 3.57 -0.36 3.17 2.96 0.08 -0.59 118.68 129.07 1dby s LEU 57 Ca 0.00 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.47 1dby s LEU 57 Cb -0.13 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1dby s LEU 57 CO -0.04 -0.03 1.72 0.21 -1.32 0.00 0.00 176.35 176.89 1dby s ASN 58 N 1.58 5.96 -0.11 3.68 3.84 -1.22 -0.70 114.94 127.98 1dby s ASN 58 Ca 0.06 1.17 -0.04 0.00 0.21 0.00 0.00 52.86 54.26 1dby s ASN 58 Cb -0.15 -2.53 -0.13 0.00 -0.55 0.00 0.00 41.25 37.89 1dby s ASN 58 CO 0.05 -1.68 3.08 0.41 -2.79 0.00 0.00 177.10 176.17 1dby n THR 59 N 7.34 2.87 0.00 -5.21 -1.04 0.73 0.15 114.28 119.12 1dby n THR 59 Ca 0.21 -1.61 0.00 0.00 -2.04 0.00 0.00 64.05 60.61 1dby n THR 59 Cb 0.47 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 1.88 0.00 0.15 8.00 -0.08 -1.26 -4.74 116.55 120.50 1dby n ASP 60 Ca 0.36 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.70 1dby n ASP 60 Cb 0.76 0.20 0.05 0.00 2.34 0.00 0.00 41.12 44.47 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 4.81 -1.94 -3.36 114.58 111.72 1dby h GLU 61 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1dby h GLU 61 Cb 0.00 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 28.96 1dby h GLU 61 CO 0.00 0.26 -0.79 0.43 -0.73 0.00 0.00 179.01 178.19 1dby n SER 62 N -3.08 4.05 -0.09 1.04 7.64 0.12 -4.70 113.62 118.60 1dby n SER 62 Ca 0.01 -3.55 -0.11 0.00 1.01 0.00 0.00 58.87 56.22 1dby n SER 62 Cb 0.66 -0.50 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 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 2.76 0.84 -0.01 1.43 0.13 -1.76 -3.08 132.00 132.31 1dby h PRO 63 Ca 0.20 -0.43 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1dby h PRO 63 Cb 0.84 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1dby h PRO 63 CO 0.78 1.07 -0.15 -0.91 -0.23 0.00 0.00 178.00 178.57 1dby h ASN 64 N 0.69 -0.45 -0.50 1.44 2.35 -1.93 0.42 115.58 117.59 1dby h ASN 64 Ca 0.06 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1dby h ASN 64 Cb 0.94 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 1dby h ASN 64 CO 0.09 -0.14 0.28 0.58 -1.65 0.00 0.00 177.43 176.59 1dby h VAL 65 N -0.17 1.01 -1.00 2.81 2.07 -1.96 0.05 116.25 119.06 1dby h VAL 65 Ca 0.00 -0.19 0.14 0.00 0.82 0.00 0.00 66.70 67.47 1dby h VAL 65 Cb 0.19 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 1dby h VAL 65 CO -0.10 0.10 0.63 0.00 0.02 0.00 0.00 177.57 178.21 1dby h ALA 66 N 1.25 1.57 -0.17 1.67 0.00 -1.39 -1.25 119.26 120.95 1dby h ALA 66 Ca 0.21 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1dby h ALA 66 Cb 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dby h ALA 66 CO -0.12 0.15 -0.60 0.77 0.00 0.00 0.00 179.25 179.46 1dby h SER 67 N 0.93 0.82 -0.76 0.00 0.02 0.10 0.38 113.55 115.04 1dby h SER 67 Ca 0.51 -0.60 0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1dby h SER 67 Cb 0.59 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1dby h SER 67 CO -0.28 1.28 0.41 -0.33 -1.14 0.00 0.00 176.83 176.77 1dby h GLU 68 N 0.40 0.69 0.05 3.45 4.39 -0.24 -1.73 114.58 121.59 1dby h GLU 68 Ca -0.03 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.40 1dby h GLU 68 Cb 1.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1dby h GLU 68 CO 0.13 0.46 -1.05 1.88 -1.16 0.00 0.00 179.01 179.26 1dby h TYR 69 N 0.71 0.23 -0.21 4.33 0.05 -1.21 -3.48 116.97 117.39 1dby h TYR 69 Ca 0.36 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1dby h TYR 69 Cb 0.32 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1dby h TYR 69 CO -0.08 1.09 0.00 0.41 -1.05 0.00 0.00 178.16 178.53 1dby n GLY 70 N 1.30 1.15 2.42 3.88 0.00 0.11 -4.99 105.19 109.06 1dby n GLY 70 Ca -0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1dby n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1dby n ILE 71 N -1.59 4.21 -1.34 -0.61 5.41 0.35 -4.79 119.36 121.00 1dby n ILE 71 Ca 0.00 -2.82 -0.34 0.00 1.00 0.00 0.00 62.75 60.60 1dby n ILE 71 Cb 0.20 -2.58 -0.05 0.00 -0.71 0.00 0.00 39.64 36.50 1dby n ILE 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1dby n ARG 72 N 3.98 3.44 0.00 0.38 0.63 -1.26 -4.68 116.66 119.15 1dby n ARG 72 Ca 0.72 -2.12 0.00 0.00 -0.92 0.00 0.00 57.85 55.52 1dby n ARG 72 Cb 0.27 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.57 1dby n ARG 72 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1dby n SER 73 N 3.06 0.00 -3.67 6.15 3.41 -1.26 -5.20 113.62 116.11 1dby n SER 73 Ca 0.69 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1dby n SER 73 Cb 0.38 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1dby n SER 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1dby s ILE 74 N -2.00 0.06 0.21 -1.33 -4.36 -1.26 -4.39 121.20 108.12 1dby s ILE 74 Ca 0.00 -0.49 -0.30 0.00 -0.26 0.00 0.00 60.65 59.60 1dby s ILE 74 Cb 0.00 -0.97 -0.09 0.00 1.25 0.00 0.00 42.46 42.65 1dby s ILE 74 CO 0.00 -0.27 1.32 -2.16 0.24 0.00 0.00 174.94 174.07 1dby s PRO 75 N -2.61 4.38 -0.24 0.37 0.04 -1.26 -4.85 135.00 130.82 1dby s PRO 75 Ca -0.04 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1dby s PRO 75 Cb -0.01 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.43 1dby s PRO 75 CO -0.03 -0.27 0.05 0.99 0.04 0.00 0.00 177.00 177.78 1dby s THR 76 N 0.08 0.74 -0.14 1.26 2.01 -1.22 -0.77 115.64 117.61 1dby s THR 76 Ca 0.57 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 1dby s THR 76 Cb -0.37 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 1dby s THR 76 CO 0.39 -0.38 0.35 -0.63 -0.69 0.00 0.00 174.62 173.66 1dby s ILE 77 N 1.73 5.26 0.09 1.82 1.01 0.72 -0.74 121.20 131.09 1dby s ILE 77 Ca 0.02 0.68 0.05 0.00 0.00 0.00 0.00 60.65 61.41 1dby s ILE 77 Cb -0.17 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1dby s ILE 77 CO -0.15 0.38 -0.14 -0.04 0.00 0.00 0.00 174.94 174.99 1dby s MET 78 N 0.45 0.89 -0.01 2.79 -1.94 -0.23 -0.46 119.30 120.79 1dby s MET 78 Ca 0.20 -1.07 0.07 0.00 -1.71 0.00 0.00 55.69 53.17 1dby s MET 78 Cb -0.14 -0.81 -0.02 0.00 2.01 0.00 0.00 34.83 35.87 1dby s MET 78 CO 0.06 0.16 -0.21 0.08 -0.01 0.00 0.00 175.02 175.11 1dby s VAL 79 N -1.71 2.51 0.24 -6.03 1.01 -0.11 -0.02 120.40 116.28 1dby s VAL 79 Ca 0.02 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1dby s VAL 79 Cb -0.07 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1dby s VAL 79 CO 0.02 0.52 0.03 -0.36 0.00 0.00 0.00 175.10 175.32 1dby s PHE 80 N -0.72 1.56 -0.16 5.22 0.40 0.18 -0.19 117.98 124.26 1dby s PHE 80 Ca 0.11 -1.02 -0.30 0.00 -0.60 0.00 0.00 56.93 55.13 1dby s PHE 80 Cb -0.10 -0.92 0.13 0.00 0.51 0.00 0.00 43.02 42.64 1dby s PHE 80 CO 0.01 -0.14 1.06 -1.59 0.70 0.00 0.00 175.22 175.25 1dby s LYS 81 N -3.92 0.52 -1.72 0.44 0.00 0.06 -0.30 119.74 114.82 1dby s LYS 81 Ca 0.32 0.05 -0.18 0.00 0.00 0.00 0.00 55.97 56.16 1dby s LYS 81 Cb 0.07 0.24 0.16 0.00 0.00 0.00 0.00 37.83 38.30 1dby s LYS 81 CO 0.10 -0.18 0.69 0.41 0.00 0.00 0.00 175.35 176.38 1dby n GLY 82 N 0.50 -0.41 2.45 0.59 0.00 -0.34 -0.61 105.19 107.36 1dby n GLY 82 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.42 0.39 3.21 -0.02 0.00 0.14 -4.99 105.19 102.50 1dby n GLY 83 Ca 0.04 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.23 1.14 0.62 1.61 -0.14 0.22 -4.98 119.74 116.97 1dby s LYS 84 Ca 0.00 -1.58 -0.11 0.00 -1.36 0.00 0.00 55.97 52.92 1dby s LYS 84 Cb 0.00 0.10 -0.04 0.00 -1.68 0.00 0.00 37.83 36.21 1dby s LYS 84 CO 0.00 -0.30 1.02 0.15 -0.76 0.00 0.00 175.35 175.46 1dby s LYS 85 N -4.07 3.56 -0.02 1.68 1.02 -1.26 -0.76 119.74 119.89 1dby s LYS 85 Ca 0.32 0.70 -0.03 0.00 0.02 0.00 0.00 55.97 56.99 1dby s LYS 85 Cb 0.07 -2.10 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 1dby s LYS 85 CO 0.08 -0.57 -0.07 0.00 -0.92 0.00 0.00 175.35 173.87 1dby n GLU 87 N -3.42 0.76 -3.54 0.00 -0.00 -1.22 -5.01 120.64 108.21 1dby n GLU 87 Ca -0.08 -1.51 -0.16 0.00 -0.00 0.00 0.00 57.16 55.41 1dby n GLU 87 Cb 0.40 1.90 -0.06 0.00 -0.00 0.00 0.00 31.44 33.69 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 -2.34 0.01 0.08 3.84 -1.32 -1.26 -0.94 115.64 113.70 1dby s THR 88 Ca 0.12 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 1dby s THR 88 Cb -0.03 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1dby s THR 88 CO 0.08 -0.05 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.74 1dby s ILE 89 N -1.67 0.64 0.01 5.08 -1.09 0.40 -4.98 121.20 119.58 1dby s ILE 89 Ca -0.09 -1.59 0.01 0.00 -2.23 0.00 0.00 60.65 56.75 1dby s ILE 89 Cb -0.01 -1.25 -0.01 0.00 -1.58 0.00 0.00 42.46 39.61 1dby s ILE 89 CO 0.05 -0.67 -0.03 -0.63 -1.23 0.00 0.00 174.94 172.43 1dby s ILE 90 N -2.70 0.17 0.00 2.92 1.01 -1.26 -0.20 121.20 121.14 1dby s ILE 90 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1dby s ILE 90 Cb -0.01 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.22 1dby s ILE 90 CO -0.03 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.28 1dby n GLY 91 N 2.23 -1.72 3.74 6.18 0.00 0.05 -4.93 105.19 110.75 1dby n GLY 91 Ca -0.19 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.29 3.44 0.03 4.61 0.00 -1.26 -4.90 121.76 120.39 1dby s ALA 92 Ca 0.00 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 1dby s ALA 92 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1dby s ALA 92 CO 0.00 -0.37 -0.03 0.14 0.00 0.00 0.00 175.76 175.49 1dby s VAL 93 N -0.17 0.17 0.73 0.00 -7.23 -1.26 -5.16 120.40 107.48 1dby s VAL 93 Ca 0.52 -1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 1dby s VAL 93 Cb -0.33 -0.58 0.03 0.00 0.56 0.00 0.00 36.38 36.06 1dby s VAL 93 CO 0.38 -0.61 1.07 -2.16 -0.31 0.00 0.00 175.10 173.48 1dby s PRO 94 N -2.03 2.61 0.23 4.82 0.04 -1.26 -4.73 135.00 134.68 1dby s PRO 94 Ca -0.10 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 1dby s PRO 94 Cb -0.06 -1.95 0.30 0.00 0.04 0.00 0.00 34.50 32.83 1dby s PRO 94 CO -0.03 -1.36 1.58 -0.22 0.04 0.00 0.00 177.00 177.02 1dby h LYS 95 N -0.91 -0.03 -0.68 4.56 3.64 -1.98 0.16 116.57 121.32 1dby h LYS 95 Ca -0.44 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.08 1dby h LYS 95 Cb 1.22 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 1dby h LYS 95 CO 0.54 -0.02 0.18 0.00 -2.27 0.00 0.00 179.45 177.88 1dby h ALA 96 N 1.61 0.86 -0.12 5.00 0.00 -1.99 0.18 119.26 124.80 1dby h ALA 96 Ca 0.36 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1dby h ALA 96 Cb 0.59 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1dby h ALA 96 CO -0.84 -0.29 -0.00 1.15 0.00 0.00 0.00 179.25 179.27 1dby h THR 97 N 0.31 1.25 0.23 0.00 2.02 -1.09 -1.58 112.91 114.05 1dby h THR 97 Ca 0.37 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1dby h THR 97 Cb 0.57 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1dby h THR 97 CO -0.44 0.24 -0.31 0.40 0.37 0.00 0.00 175.52 175.79 1dby h ILE 98 N -0.06 0.35 -0.03 3.11 2.04 -0.12 0.10 117.51 122.90 1dby h ILE 98 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1dby h ILE 98 Cb 0.37 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1dby h ILE 98 CO 0.01 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.61 1dby h VAL 99 N -0.59 0.67 -0.43 1.67 2.07 -0.72 0.14 116.25 119.05 1dby h VAL 99 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1dby h VAL 99 Cb 0.57 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1dby h VAL 99 CO -0.11 0.00 0.18 1.56 0.02 0.00 0.00 177.57 179.22 1dby h GLN 100 N -0.21 0.35 -0.72 1.57 4.20 -1.10 0.12 115.11 119.33 1dby h GLN 100 Ca 0.06 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1dby h GLN 100 Cb 0.28 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 1dby h GLN 100 CO -0.15 0.23 0.42 1.15 -0.67 0.00 0.00 178.83 179.82 1dby h THR 101 N 0.36 1.02 0.77 -0.54 2.02 -0.21 -1.24 112.91 115.08 1dby h THR 101 Ca 0.19 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1dby h THR 101 Cb 0.15 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1dby h THR 101 CO -0.17 0.14 -0.37 0.58 0.37 0.00 0.00 175.52 176.07 1dby h VAL 102 N 0.79 0.12 -0.75 3.16 2.07 -0.02 -3.30 116.25 118.32 1dby h VAL 102 Ca 0.31 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1dby h VAL 102 Cb 0.14 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 29.92 1dby h VAL 102 CO -0.16 0.01 -0.27 -0.33 0.02 0.00 0.00 177.57 176.84 1dby h GLU 103 N -1.19 -0.05 -0.35 1.57 4.39 -0.39 0.86 114.58 119.42 1dby h GLU 103 Ca -0.11 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.70 1dby h GLU 103 Cb 0.81 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1dby h GLU 103 CO 0.17 -0.03 0.35 1.57 -1.16 0.00 0.00 179.01 179.91 1dby h LYS 104 N -0.05 0.00 0.00 2.33 2.10 -1.26 0.30 116.57 119.98 1dby h LYS 104 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1dby h LYS 104 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1dby h LYS 104 CO -0.79 0.00 -0.04 0.66 -2.00 0.00 0.00 179.45 177.27 1dby n TYR 105 N -3.83 0.89 -0.11 0.07 4.01 0.29 -3.94 117.16 114.54 1dby n TYR 105 Ca 0.06 0.26 -0.18 0.00 -0.16 0.00 0.00 57.90 57.87 1dby n TYR 105 Cb 0.52 -0.91 -0.09 0.00 -0.31 0.00 0.00 39.34 38.54 1dby n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dby n LEU 106 N -2.24 2.51 0.00 7.72 4.32 0.77 -5.15 117.00 124.93 1dby n LEU 106 Ca 0.05 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1dby n LEU 106 Cb 0.43 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 1dby n LEU 106 CO 0.31 0.73 0.00 -0.46 -1.22 0.00 0.00 177.39 176.75