#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby s GLU 2 N 0.00 3.17 -0.45 2.12 -1.05 -1.26 -4.10 118.70 117.13 1dby s GLU 2 Ca 0.00 -0.62 -0.26 0.00 -0.15 0.00 0.00 54.97 53.94 1dby s GLU 2 Cb 0.00 -2.67 -0.26 0.00 -0.44 0.00 0.00 34.13 30.77 1dby s GLU 2 CO 0.00 -0.07 1.78 0.00 0.95 0.00 0.00 175.26 177.93 1dby n ALA 3 N -1.87 2.11 -1.77 -0.84 0.00 -1.26 -4.51 120.51 112.37 1dby n ALA 3 Ca -0.01 -3.01 -0.34 0.00 0.00 0.00 0.00 53.44 50.09 1dby n ALA 3 Cb 0.57 -3.68 -0.03 0.00 0.00 0.00 0.00 19.45 16.32 1dby n ALA 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dby s GLY 4 N 6.00 2.40 -0.57 0.00 0.00 -1.26 -4.73 107.32 109.16 1dby s GLY 4 Ca 0.63 0.53 -0.23 0.00 0.00 0.00 0.00 44.72 45.66 1dby s GLY 4 CO 0.22 0.85 0.91 0.00 0.00 0.00 0.00 173.10 175.08 1dby s ALA 5 N -2.12 3.18 0.35 3.20 0.00 -1.26 -0.77 121.76 124.33 1dby s ALA 5 Ca 0.66 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1dby s ALA 5 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1dby s ALA 5 CO 0.24 -2.42 0.58 0.14 0.00 0.00 0.00 175.76 174.30 1dby s VAL 6 N 3.81 5.06 0.28 0.00 -7.23 0.32 -4.96 120.40 117.68 1dby s VAL 6 Ca 0.27 -0.25 -0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1dby s VAL 6 Cb -0.14 -3.83 -0.02 0.00 0.56 0.00 0.00 36.38 32.94 1dby s VAL 6 CO 0.16 -0.55 0.30 0.21 -0.31 0.00 0.00 175.10 174.92 1dby s ASN 7 N -3.84 0.79 0.27 4.85 3.04 -1.26 -2.70 114.94 116.09 1dby s ASN 7 Ca 0.42 -1.48 -0.07 0.00 0.04 0.00 0.00 52.86 51.77 1dby s ASN 7 Cb -0.10 0.53 0.47 0.00 -1.54 0.00 0.00 41.25 40.61 1dby s ASN 7 CO 0.36 -1.05 1.51 -0.67 -3.04 0.00 0.00 177.10 174.21 1dby n ASP 8 N -0.96 -0.33 0.00 -4.21 2.03 -1.26 -0.39 116.55 111.43 1dby n ASP 8 Ca 0.03 1.66 0.00 0.00 0.52 0.00 0.00 54.79 57.01 1dby n ASP 8 Cb 0.63 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1dby n ASP 9 N -5.57 0.00 -0.33 1.67 2.03 -1.26 -3.88 116.55 109.22 1dby n ASP 9 Ca 0.16 0.49 0.19 0.00 0.52 0.00 0.00 54.79 56.15 1dby n ASP 9 Cb 0.51 -0.07 0.40 0.00 -0.72 0.00 0.00 41.12 41.23 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 0.36 -0.99 5.18 1.35 -1.87 0.07 112.91 117.02 1dby h THR 10 Ca 0.00 -0.12 0.28 0.00 -0.55 0.00 0.00 66.41 66.02 1dby h THR 10 Cb 0.00 -0.02 -0.18 0.00 -1.73 0.00 0.00 68.15 66.22 1dby h THR 10 CO 0.00 0.06 0.06 0.33 -0.25 0.00 0.00 175.52 175.73 1dby n PHE 11 N -5.06 0.67 0.02 4.73 7.35 0.48 -0.49 117.46 125.16 1dby n PHE 11 Ca 0.27 1.19 -0.07 0.00 -0.76 0.00 0.00 57.45 58.09 1dby n PHE 11 Cb 0.84 -1.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.36 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 -0.27 -0.38 -4.13 1.57 -1.08 0.47 116.57 112.75 1dby h LYS 12 Ca 0.62 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.34 1dby h LYS 12 Cb 1.31 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1dby h LYS 12 CO -0.91 -0.18 -0.09 -0.91 -0.57 0.00 0.00 179.45 176.79 1dby h ASN 13 N -0.28 0.64 0.66 0.86 4.21 -1.34 0.16 115.58 120.49 1dby h ASN 13 Ca 0.01 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1dby h ASN 13 Cb 0.30 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1dby h ASN 13 CO -0.15 0.77 -0.65 0.52 -1.29 0.00 0.00 177.43 176.63 1dby n VAL 14 N -4.19 0.19 0.04 2.81 0.31 0.36 -3.90 118.33 113.94 1dby n VAL 14 Ca 0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1dby n VAL 14 Cb 0.33 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.86 0.16 -0.12 2.52 0.31 0.16 -4.59 118.33 114.91 1dby n VAL 15 Ca 0.04 0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.50 1dby n VAL 15 Cb 0.40 -0.56 0.41 0.00 -0.91 0.00 0.00 33.84 33.18 1dby n VAL 15 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1dby h LEU 16 N 0.00 0.54 -0.64 7.52 3.38 -0.97 -0.26 115.31 124.89 1dby h LEU 16 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dby h LEU 16 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1dby h LEU 16 CO 0.00 0.35 -0.36 1.21 0.09 0.00 0.00 178.44 179.73 1dby n GLU 17 N -4.48 0.92 -2.59 1.13 2.13 0.48 -4.11 120.64 114.13 1dby n GLU 17 Ca 0.09 -0.64 -0.42 0.00 0.66 0.00 0.00 57.16 56.86 1dby n GLU 17 Cb 0.25 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.44 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 -2.52 7.29 -0.12 4.31 0.01 -0.11 -4.79 113.70 117.77 1dby s SER 18 Ca 0.22 1.90 -0.21 0.00 1.31 0.00 0.00 55.95 59.16 1dby s SER 18 Cb 0.19 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.65 1dby s SER 18 CO 0.55 -0.26 0.58 0.77 0.41 0.00 0.00 173.24 175.29 1dby h SER 19 N 6.09 -0.01 -4.15 2.44 4.64 -1.93 0.19 113.55 120.83 1dby h SER 19 Ca -0.42 -0.69 -0.47 0.00 -0.47 0.00 0.00 61.79 59.73 1dby h SER 19 Cb 1.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1dby h SER 19 CO 0.75 0.82 0.37 0.68 -0.87 0.00 0.00 176.83 178.59 1dby s VAL 20 N -2.16 4.06 0.72 0.95 -7.23 -1.26 -1.02 120.40 114.46 1dby s VAL 20 Ca -0.14 1.09 -0.15 0.00 -1.81 0.00 0.00 61.98 60.98 1dby s VAL 20 Cb -0.02 -3.51 0.03 0.00 0.56 0.00 0.00 36.38 33.44 1dby s VAL 20 CO 0.50 -0.46 1.18 -2.84 -0.31 0.00 0.00 175.10 173.17 1dby s PRO 21 N -3.74 2.28 -0.13 4.82 0.02 -1.26 -4.61 135.00 132.38 1dby s PRO 21 Ca 0.63 1.66 -0.06 0.00 0.02 0.00 0.00 61.00 63.25 1dby s PRO 21 Cb -0.14 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.58 1dby s PRO 21 CO 0.28 -1.70 0.29 0.14 -0.33 0.00 0.00 177.00 175.68 1dby s VAL 22 N -2.10 -0.15 -0.74 3.83 -7.23 0.94 -2.44 120.40 112.52 1dby s VAL 22 Ca 0.72 0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 60.87 1dby s VAL 22 Cb -0.27 -0.45 0.13 0.00 0.56 0.00 0.00 36.38 36.35 1dby s VAL 22 CO 0.44 0.07 0.88 -0.22 -0.31 0.00 0.00 175.10 175.96 1dby s LEU 23 N 1.62 5.37 -0.38 1.32 2.96 -1.13 -1.54 118.68 126.89 1dby s LEU 23 Ca -0.07 -1.75 -0.20 0.00 -0.22 0.00 0.00 54.13 51.89 1dby s LEU 23 Cb -0.10 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1dby s LEU 23 CO -0.10 -1.06 0.63 0.54 -1.32 0.00 0.00 176.35 175.05 1dby s VAL 24 N 2.48 4.87 -0.36 1.68 0.11 0.31 -0.34 120.40 129.15 1dby s VAL 24 Ca 0.20 0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 59.44 1dby s VAL 24 Cb -0.15 -4.11 0.01 0.00 -1.53 0.00 0.00 36.38 30.59 1dby s VAL 24 CO -0.00 -0.40 0.80 -0.62 -3.33 0.00 0.00 175.10 171.55 1dby s ASP 25 N 1.86 6.58 -0.65 3.54 2.15 0.05 -1.30 116.67 128.89 1dby s ASP 25 Ca 0.24 0.40 -0.28 0.00 0.43 0.00 0.00 52.55 53.34 1dby s ASP 25 Cb -0.14 -2.41 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1dby s ASP 25 CO 0.16 -0.74 1.30 -0.36 -0.17 0.00 0.00 175.17 175.35 1dby s PHE 26 N 3.14 2.37 0.08 -5.34 0.40 0.58 -0.34 117.98 118.87 1dby s PHE 26 Ca 0.32 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1dby s PHE 26 Cb -0.13 -4.53 -0.00 0.00 0.51 0.00 0.00 43.02 38.87 1dby s PHE 26 CO 0.17 -1.91 0.00 -2.67 0.70 0.00 0.00 175.22 171.51 1dby n TRP 27 N 9.23 0.18 -3.58 0.36 4.27 0.19 -2.81 117.44 125.28 1dby n TRP 27 Ca 0.07 -0.39 -0.08 0.00 -3.89 0.00 0.00 57.50 53.21 1dby n TRP 27 Cb 0.49 -0.05 -0.04 0.00 -1.36 0.00 0.00 31.31 30.35 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 -2.14 -1.96 0.38 -1.67 0.00 -1.26 -0.47 121.76 114.65 1dby s ALA 28 Ca 0.00 1.54 0.09 0.00 0.00 0.00 0.00 51.96 53.58 1dby s ALA 28 Cb 0.00 -0.56 0.83 0.00 0.00 0.00 0.00 23.12 23.40 1dby s ALA 28 CO 0.00 -0.40 1.95 -1.00 0.00 0.00 0.00 175.76 176.31 1dby h PRO 29 N 2.33 0.63 0.00 0.00 0.13 -2.01 0.63 132.00 133.71 1dby h PRO 29 Ca -0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1dby h PRO 29 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1dby h PRO 29 CO 0.29 0.42 0.00 -2.67 -0.23 0.00 0.00 178.00 175.81 1dby n TRP 30 N -4.49 0.00 -2.65 1.56 4.27 -1.26 -4.65 117.44 110.22 1dby n TRP 30 Ca 0.12 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 1dby n TRP 30 Cb 0.31 -0.20 -0.02 0.00 -1.36 0.00 0.00 31.31 30.05 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby h GLY 32 N 12.13 -0.51 2.00 0.00 0.00 -1.85 0.11 103.07 114.95 1dby h GLY 32 Ca 0.30 0.70 -0.03 0.00 0.00 0.00 0.00 47.33 48.30 1dby h GLY 32 CO 1.39 -0.04 -0.12 -2.55 0.00 0.00 0.00 176.54 175.21 1dby h PRO 33 N -0.01 0.00 -0.03 4.80 0.11 -1.90 -2.67 132.00 132.31 1dby h PRO 33 Ca 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1dby h PRO 33 Cb 0.48 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1dby h PRO 33 CO -0.95 0.12 -0.00 0.00 -0.21 0.00 0.00 178.00 176.95 1dby h ARG 35 N -0.28 0.21 0.00 0.00 3.08 -1.04 0.27 114.38 116.62 1dby h ARG 35 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dby h ARG 35 Cb 0.36 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1dby h ARG 35 CO 0.00 0.14 0.00 -0.84 -1.07 0.00 0.00 179.97 178.20 1dby h ILE 36 N 0.21 0.00 0.00 2.04 -0.00 -1.55 -3.02 117.51 115.19 1dby h ILE 36 Ca 0.48 -0.84 -0.08 0.00 -0.00 0.00 0.00 64.86 64.42 1dby h ILE 36 Cb 0.89 1.83 -0.01 0.00 -0.00 0.00 0.00 36.82 39.53 1dby h ILE 36 CO -0.61 0.00 -1.21 2.30 -0.00 0.00 0.00 178.15 178.63 1dby n ILE 37 N -3.03 0.89 -0.32 0.16 -5.35 0.10 -4.40 119.36 107.41 1dby n ILE 37 Ca 0.03 -0.62 0.23 0.00 -0.27 0.00 0.00 62.75 62.13 1dby n ILE 37 Cb 0.46 -0.53 0.44 0.00 -1.74 0.00 0.00 39.64 38.28 1dby n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dby n ALA 38 N -2.28 0.77 -0.28 -1.28 0.00 0.73 0.35 120.51 118.51 1dby n ALA 38 Ca -0.05 1.01 -0.05 0.00 0.00 0.00 0.00 53.44 54.35 1dby n ALA 38 Cb 0.69 -0.88 0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 1.12 -0.17 0.00 0.11 -1.77 0.87 132.00 132.15 1dby h PRO 39 Ca 0.71 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 1dby h PRO 39 Cb 1.73 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.63 1dby h PRO 39 CO -0.82 0.87 0.05 0.28 -0.21 0.00 0.00 178.00 178.17 1dby h VAL 40 N 1.10 1.19 0.24 3.15 2.07 -0.38 0.16 116.25 123.78 1dby h VAL 40 Ca 0.27 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1dby h VAL 40 Cb 0.12 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1dby h VAL 40 CO -0.03 0.18 -0.25 0.58 0.02 0.00 0.00 177.57 178.07 1dby h VAL 41 N 0.10 0.46 -0.02 2.57 2.07 -0.27 0.22 116.25 121.37 1dby h VAL 41 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1dby h VAL 41 Cb 0.24 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1dby h VAL 41 CO -0.00 0.00 0.01 0.44 0.02 0.00 0.00 177.57 178.04 1dby h ASP 42 N -0.53 0.03 -0.13 0.57 3.32 -0.84 -0.55 116.42 118.29 1dby h ASP 42 Ca -0.00 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1dby h ASP 42 Cb 0.50 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 1dby h ASP 42 CO -0.07 0.05 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.24 1dby h GLU 43 N -0.01 -0.23 -0.73 3.56 4.57 -0.48 0.12 114.58 121.38 1dby h GLU 43 Ca 0.01 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.30 1dby h GLU 43 Cb 0.03 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.60 1dby h GLU 43 CO -0.00 -0.16 0.37 0.82 -1.18 0.00 0.00 179.01 178.86 1dby h ILE 44 N -0.24 0.83 -0.62 2.32 1.08 -0.32 0.48 117.51 121.03 1dby h ILE 44 Ca 0.10 -0.21 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 1dby h ILE 44 Cb 0.39 0.17 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 1dby h ILE 44 CO -0.27 0.11 0.17 0.00 -0.69 0.00 0.00 178.15 177.47 1dby h ALA 45 N 1.45 0.77 0.87 1.87 0.00 0.07 -2.18 119.26 122.10 1dby h ALA 45 Ca 0.37 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1dby h ALA 45 Cb 0.40 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dby h ALA 45 CO -0.28 -0.27 -0.46 0.78 0.00 0.00 0.00 179.25 179.02 1dby h GLY 46 N 0.31 -1.32 -0.99 0.00 0.00 0.22 0.67 103.07 101.96 1dby h GLY 46 Ca 0.33 0.51 0.21 0.00 0.00 0.00 0.00 47.33 48.37 1dby h GLY 46 CO -0.38 -0.46 -0.21 1.18 0.00 0.00 0.00 176.54 176.66 1dby n GLU 47 N -5.42 -0.09 -0.38 4.80 1.02 0.13 -1.68 120.64 119.02 1dby n GLU 47 Ca -0.15 1.54 0.07 0.00 -0.02 0.00 0.00 57.16 58.60 1dby n GLU 47 Cb 0.49 -2.33 0.18 0.00 -0.02 0.00 0.00 31.44 29.77 1dby n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1dby n TYR 48 N -5.60 0.23 -0.34 -0.32 4.01 -0.86 -4.84 117.16 109.43 1dby n TYR 48 Ca 0.17 -1.23 0.14 0.00 -0.16 0.00 0.00 57.90 56.81 1dby n TYR 48 Cb 0.54 -0.24 0.28 0.00 -0.31 0.00 0.00 39.34 39.60 1dby n TYR 48 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1dby h LYS 49 N 0.65 0.02 -0.96 -0.72 2.10 0.07 -1.01 116.57 116.73 1dby h LYS 49 Ca 0.03 -0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.98 1dby h LYS 49 Cb 1.12 -0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.27 1dby h LYS 49 CO 0.07 0.01 0.16 -0.25 -2.00 0.00 0.00 179.45 177.44 1dby n ASP 50 N -5.48 0.01 0.08 7.07 9.92 -1.26 -0.23 116.55 126.67 1dby n ASP 50 Ca 0.22 1.62 0.00 0.00 -0.53 0.00 0.00 54.79 56.10 1dby n ASP 50 Cb 0.73 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1dby n ASP 50 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1dby n LYS 51 N -5.36 0.00 0.00 -1.24 4.01 -0.72 -4.67 118.16 110.18 1dby n LYS 51 Ca 0.26 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1dby n LYS 51 Cb 0.88 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.40 1dby n LYS 51 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1dby n LEU 52 N -3.05 0.00 -4.55 -0.35 7.94 -0.46 -0.45 117.00 116.07 1dby n LEU 52 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1dby n LEU 52 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1dby n LEU 52 CO 0.00 -0.53 1.35 -1.59 -1.11 0.00 0.00 177.39 175.52 1dby s LYS 53 N -2.74 2.96 -0.28 1.96 -2.85 -1.02 0.78 119.74 118.54 1dby s LYS 53 Ca 0.00 0.10 -0.15 0.00 -1.00 0.00 0.00 55.97 54.92 1dby s LYS 53 Cb 0.00 -4.28 0.09 0.00 -2.06 0.00 0.00 37.83 31.58 1dby s LYS 53 CO 0.00 -2.40 0.68 0.00 0.10 0.00 0.00 175.35 173.74 1dby s VAL 55 N 1.92 0.01 -0.19 0.00 -7.23 0.54 -3.98 120.40 111.47 1dby s VAL 55 Ca -0.09 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1dby s VAL 55 Cb -0.07 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 35.00 1dby s VAL 55 CO -0.20 -0.06 0.06 -0.54 -0.31 0.00 0.00 175.10 174.05 1dby s LYS 56 N -3.95 0.45 -0.29 4.82 1.02 0.05 -0.77 119.74 121.07 1dby s LYS 56 Ca 0.16 -0.34 -0.17 0.00 0.02 0.00 0.00 55.97 55.63 1dby s LYS 56 Cb -0.01 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1dby s LYS 56 CO 0.04 -0.68 0.49 -1.17 -0.92 0.00 0.00 175.35 173.11 1dby s LEU 57 N 1.95 4.15 -0.33 3.17 2.96 0.54 -0.52 118.68 130.59 1dby s LEU 57 Ca 0.01 0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.92 1dby s LEU 57 Cb -0.17 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1dby s LEU 57 CO -0.10 -0.33 1.52 0.21 -1.32 0.00 0.00 176.35 176.33 1dby s ASN 58 N 1.64 6.30 0.29 3.68 3.84 -1.10 -0.64 114.94 128.95 1dby s ASN 58 Ca 0.19 1.16 0.04 0.00 0.21 0.00 0.00 52.86 54.46 1dby s ASN 58 Cb -0.16 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.44 1dby s ASN 58 CO 0.11 -1.40 1.71 0.74 -2.79 0.00 0.00 177.10 175.47 1dby h THR 59 N 6.39 1.28 -0.38 -5.21 2.02 -1.07 0.23 112.91 116.17 1dby h THR 59 Ca -0.30 -1.36 -0.12 0.00 0.77 0.00 0.00 66.41 65.40 1dby h THR 59 Cb 1.13 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1dby h THR 59 CO 1.05 0.42 -0.23 -0.78 0.37 0.00 0.00 175.52 176.35 1dby h ASP 60 N 0.33 0.77 1.21 4.18 1.82 -1.90 -1.62 116.42 121.21 1dby h ASP 60 Ca 0.04 -0.28 -0.16 0.00 -0.39 0.00 0.00 57.03 56.24 1dby h ASP 60 Cb 0.73 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 1dby h ASP 60 CO 0.06 0.98 -0.78 -0.08 -1.61 0.00 0.00 179.24 177.81 1dby h GLU 61 N 0.66 0.00 -1.62 0.28 4.57 -1.85 -3.37 114.58 113.25 1dby h GLU 61 Ca 0.09 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.67 1dby h GLU 61 Cb 0.74 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.92 1dby h GLU 61 CO 0.06 0.78 -0.65 0.43 -1.18 0.00 0.00 179.01 178.45 1dby n SER 62 N -3.30 4.80 -0.14 1.04 7.64 0.78 -4.58 113.62 119.86 1dby n SER 62 Ca 0.01 -3.72 0.02 0.00 1.01 0.00 0.00 58.87 56.18 1dby n SER 62 Cb 0.85 -0.50 0.31 0.00 -1.01 0.00 0.00 64.21 63.86 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dby h PRO 63 N 2.64 0.83 0.00 1.43 0.13 -1.48 -2.10 132.00 133.45 1dby h PRO 63 Ca 0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1dby h PRO 63 Cb 0.84 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1dby h PRO 63 CO 0.87 0.55 0.00 0.09 -0.23 0.00 0.00 178.00 179.28 1dby n ASN 64 N -4.44 0.00 -0.12 1.44 4.13 -1.26 0.10 115.26 115.11 1dby n ASN 64 Ca 0.06 0.88 -0.05 0.00 1.68 0.00 0.00 54.58 57.15 1dby n ASN 64 Cb 0.04 -0.38 0.01 0.00 -1.54 0.00 0.00 39.78 37.92 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1dby h VAL 65 N 0.00 0.57 -0.95 2.41 2.07 -1.92 0.62 116.25 119.06 1dby h VAL 65 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1dby h VAL 65 Cb 0.00 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1dby h VAL 65 CO 0.00 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.14 1dby h ALA 66 N 1.36 1.50 -0.00 1.67 0.00 -1.05 0.00 119.26 122.74 1dby h ALA 66 Ca 0.19 0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 1dby h ALA 66 Cb 0.31 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1dby h ALA 66 CO -0.42 -0.00 -0.92 0.77 0.00 0.00 0.00 179.25 178.67 1dby h SER 67 N 0.76 0.82 -0.58 0.00 0.02 0.88 0.32 113.55 115.77 1dby h SER 67 Ca 0.52 -0.74 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1dby h SER 67 Cb 0.73 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1dby h SER 67 CO -0.35 1.45 0.29 -0.33 -1.14 0.00 0.00 176.83 176.75 1dby h GLU 68 N 0.27 0.52 0.11 3.45 5.08 0.04 -2.06 114.58 121.98 1dby h GLU 68 Ca -0.11 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 57.95 1dby h GLU 68 Cb 1.59 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.73 1dby h GLU 68 CO 0.18 0.34 -1.18 1.88 -1.00 0.00 0.00 179.01 179.23 1dby h TYR 69 N 0.53 0.53 -1.01 4.33 -1.99 -1.08 -3.49 116.97 114.79 1dby h TYR 69 Ca 0.27 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1dby h TYR 69 Cb 0.21 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1dby h TYR 69 CO -0.11 1.26 0.00 0.41 -0.00 0.00 0.00 178.16 179.72 1dby n GLY 70 N 1.41 0.50 0.00 3.88 0.00 0.97 -5.09 105.19 106.86 1dby n GLY 70 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1dby n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1dby n ILE 71 N -0.51 0.00 0.00 -0.61 -5.35 -0.19 -5.00 119.36 107.71 1dby n ILE 71 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1dby n ILE 71 Cb 0.24 -0.99 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 1dby n ILE 71 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1dby n ARG 72 N -0.91 0.00 -1.30 6.28 1.85 -1.26 -4.83 116.66 116.49 1dby n ARG 72 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 1dby n ARG 72 Cb 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.51 1dby n ARG 72 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1dby n SER 73 N -0.52 0.70 -4.01 2.89 7.64 -1.26 -5.05 113.62 114.00 1dby n SER 73 Ca 0.00 0.65 -0.08 0.00 1.01 0.00 0.00 58.87 60.45 1dby n SER 73 Cb 0.00 -1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 61.66 1dby n SER 73 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1dby s ILE 74 N -1.88 0.16 0.34 0.44 -4.36 -1.26 -4.37 121.20 110.26 1dby s ILE 74 Ca 0.74 -1.31 -0.29 0.00 -0.26 0.00 0.00 60.65 59.53 1dby s ILE 74 Cb -0.33 -0.91 -0.10 0.00 1.25 0.00 0.00 42.46 42.37 1dby s ILE 74 CO 0.50 -0.73 1.33 -2.16 0.24 0.00 0.00 174.94 174.13 1dby s PRO 75 N -2.71 4.32 -0.27 0.37 0.04 -1.26 -4.82 135.00 130.65 1dby s PRO 75 Ca -0.04 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1dby s PRO 75 Cb -0.01 -3.05 0.08 0.00 0.04 0.00 0.00 34.50 31.56 1dby s PRO 75 CO -0.05 -0.24 0.03 0.99 0.04 0.00 0.00 177.00 177.76 1dby s THR 76 N -1.14 1.32 -0.49 1.26 2.01 -1.12 -0.67 115.64 116.80 1dby s THR 76 Ca 0.50 -1.40 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 1dby s THR 76 Cb -0.41 -1.82 0.10 0.00 0.01 0.00 0.00 72.50 70.38 1dby s THR 76 CO 0.54 -0.40 0.41 -0.63 -0.69 0.00 0.00 174.62 173.86 1dby s ILE 77 N 1.44 4.98 0.10 1.82 1.01 0.97 -0.31 121.20 131.21 1dby s ILE 77 Ca 0.03 -1.35 0.02 0.00 0.00 0.00 0.00 60.65 59.35 1dby s ILE 77 Cb -0.18 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1dby s ILE 77 CO -0.13 -0.70 0.18 -0.04 0.00 0.00 0.00 174.94 174.24 1dby s MET 78 N 1.57 3.21 -0.14 2.79 -1.94 -0.42 -0.28 119.30 124.09 1dby s MET 78 Ca 0.04 -0.60 -0.01 0.00 -1.71 0.00 0.00 55.69 53.41 1dby s MET 78 Cb -0.27 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.67 1dby s MET 78 CO 0.04 0.56 -0.11 0.54 -0.01 0.00 0.00 175.02 176.05 1dby s VAL 79 N -1.55 3.27 0.10 -6.03 0.11 -0.10 -0.53 120.40 115.67 1dby s VAL 79 Ca 0.33 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1dby s VAL 79 Cb -0.12 -2.39 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 1dby s VAL 79 CO 0.26 0.52 -0.25 -0.36 -3.33 0.00 0.00 175.10 171.93 1dby s PHE 80 N 0.34 2.17 -0.04 1.54 0.40 -0.59 -0.75 117.98 121.05 1dby s PHE 80 Ca -0.09 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.56 1dby s PHE 80 Cb -0.15 -1.21 0.10 0.00 0.51 0.00 0.00 43.02 42.27 1dby s PHE 80 CO 0.05 0.26 0.82 -1.59 0.70 0.00 0.00 175.22 175.46 1dby s LYS 81 N -1.84 0.88 -1.50 0.44 0.00 -0.11 -0.04 119.74 117.57 1dby s LYS 81 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 55.97 56.01 1dby s LYS 81 Cb -0.10 0.41 0.02 0.00 0.00 0.00 0.00 37.83 38.16 1dby s LYS 81 CO 0.05 -0.32 0.68 0.41 0.00 0.00 0.00 175.35 176.16 1dby n GLY 82 N 0.39 -0.52 5.00 0.59 0.00 -0.18 -2.83 105.19 107.63 1dby n GLY 82 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.55 0.92 3.87 -0.02 0.00 0.65 -4.93 105.19 104.14 1dby n GLY 83 Ca -0.08 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1dby n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dby s LYS 84 N 0.00 2.53 0.47 1.61 1.02 -1.13 -3.87 119.74 120.37 1dby s LYS 84 Ca 0.00 0.41 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 1dby s LYS 84 Cb 0.00 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.23 1dby s LYS 84 CO 0.00 -1.26 0.94 0.21 -0.92 0.00 0.00 175.35 174.32 1dby s LYS 85 N -5.38 4.02 0.00 1.68 2.20 -1.26 -0.94 119.74 120.06 1dby s LYS 85 Ca 0.59 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1dby s LYS 85 Cb -0.12 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1dby s LYS 85 CO 0.52 -0.15 0.00 0.00 -0.36 0.00 0.00 175.35 175.36 1dby s GLU 87 N 0.00 3.61 -0.45 0.00 0.41 -1.17 -4.89 118.70 116.21 1dby s GLU 87 Ca 0.00 1.52 0.06 0.00 -0.41 0.00 0.00 54.97 56.14 1dby s GLU 87 Cb 0.00 -2.10 0.21 0.00 -1.78 0.00 0.00 34.13 30.46 1dby s GLU 87 CO 0.00 -0.62 0.60 -2.37 -0.49 0.00 0.00 175.26 172.38 1dby n THR 88 N -1.03 -0.53 -2.51 3.63 5.66 -1.26 -0.92 114.28 117.30 1dby n THR 88 Ca 0.10 -2.57 -0.32 0.00 -3.05 0.00 0.00 64.05 58.21 1dby n THR 88 Cb 0.51 -0.41 -0.04 0.00 -1.55 0.00 0.00 70.33 68.84 1dby n THR 88 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1dby s ILE 89 N 0.08 4.58 0.02 1.09 -1.09 0.61 -4.89 121.20 121.60 1dby s ILE 89 Ca 0.33 1.12 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 1dby s ILE 89 Cb 0.10 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1dby s ILE 89 CO -0.15 -0.63 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.25 1dby s ILE 90 N -2.55 0.30 0.00 2.92 1.01 -1.26 -0.02 121.20 121.60 1dby s ILE 90 Ca 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1dby s ILE 90 Cb -0.10 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1dby s ILE 90 CO 0.30 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1dby n GLY 91 N 1.85 -1.55 3.76 6.18 0.00 0.15 -4.91 105.19 110.67 1dby n GLY 91 Ca -0.21 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.49 2.45 0.05 4.61 0.00 -1.26 -4.79 121.76 121.33 1dby s ALA 92 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 1dby s ALA 92 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1dby s ALA 92 CO 0.00 -1.29 0.22 0.08 0.00 0.00 0.00 175.76 174.77 1dby s VAL 93 N -2.06 0.11 0.37 0.00 1.01 -1.26 -5.14 120.40 113.43 1dby s VAL 93 Ca 0.71 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 1dby s VAL 93 Cb -0.24 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 1dby s VAL 93 CO 0.38 -0.50 1.09 -2.84 0.00 0.00 0.00 175.10 173.23 1dby s PRO 94 N -2.88 4.26 0.30 2.72 0.02 -1.26 -4.94 135.00 133.23 1dby s PRO 94 Ca -0.03 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1dby s PRO 94 Cb 0.00 -2.74 0.51 0.00 0.02 0.00 0.00 34.50 32.30 1dby s PRO 94 CO -0.06 -0.09 1.93 1.57 -0.33 0.00 0.00 177.00 180.02 1dby h LYS 95 N 2.88 1.01 -0.39 5.54 2.10 -1.99 -2.21 116.57 123.51 1dby h LYS 95 Ca -0.48 -0.06 0.08 0.00 -2.00 0.00 0.00 60.65 58.19 1dby h LYS 95 Cb 1.22 -0.23 -0.09 0.00 -0.90 0.00 0.00 32.23 32.23 1dby h LYS 95 CO 0.64 0.67 -0.24 0.00 -2.00 0.00 0.00 179.45 178.52 1dby h ALA 96 N 1.50 0.00 -0.13 0.07 0.00 -1.99 0.12 119.26 118.84 1dby h ALA 96 Ca 0.37 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1dby h ALA 96 Cb 0.13 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1dby h ALA 96 CO -0.13 -0.62 0.03 1.15 0.00 0.00 0.00 179.25 179.69 1dby h THR 97 N -0.17 0.96 -0.07 0.00 2.02 -1.80 -0.72 112.91 113.13 1dby h THR 97 Ca 0.19 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.37 1dby h THR 97 Cb 0.47 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1dby h THR 97 CO -0.50 0.02 -0.21 0.40 0.37 0.00 0.00 175.52 175.60 1dby h ILE 98 N 0.09 0.49 0.02 3.11 1.08 -1.01 0.15 117.51 121.45 1dby h ILE 98 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 1dby h ILE 98 Cb 0.04 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.23 1dby h ILE 98 CO -0.06 0.00 -0.39 0.58 -0.69 0.00 0.00 178.15 177.59 1dby h VAL 99 N -0.30 0.20 -0.63 1.67 2.07 -0.52 -0.94 116.25 117.80 1dby h VAL 99 Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1dby h VAL 99 Cb 0.41 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1dby h VAL 99 CO -0.24 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.11 1dby h GLN 100 N -0.56 0.35 -0.91 1.57 1.08 -0.77 0.12 115.11 115.98 1dby h GLN 100 Ca 0.05 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1dby h GLN 100 Cb 0.63 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.93 1dby h GLN 100 CO -0.29 0.23 0.60 1.15 -0.95 0.00 0.00 178.83 179.58 1dby h THR 101 N 0.36 1.17 0.15 -0.54 2.02 0.16 -1.82 112.91 114.40 1dby h THR 101 Ca 0.33 -0.40 -0.30 0.00 0.77 0.00 0.00 66.41 66.81 1dby h THR 101 Cb 0.45 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1dby h THR 101 CO -0.36 0.21 -1.40 0.58 0.37 0.00 0.00 175.52 174.93 1dby h VAL 102 N 1.16 1.33 -0.72 3.16 2.07 -0.22 -3.30 116.25 119.72 1dby h VAL 102 Ca 0.36 -2.90 0.11 0.00 0.82 0.00 0.00 66.70 65.09 1dby h VAL 102 Cb -0.01 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 1dby h VAL 102 CO -0.10 0.85 0.48 -0.33 0.02 0.00 0.00 177.57 178.49 1dby h GLU 103 N 0.09 0.54 -1.07 1.57 5.08 -0.29 0.40 114.58 120.89 1dby h GLU 103 Ca -0.20 -0.03 0.31 0.00 -1.00 0.00 0.00 59.36 58.44 1dby h GLU 103 Cb 2.02 -0.12 -0.12 0.00 0.50 0.00 0.00 28.75 31.03 1dby h GLU 103 CO 0.20 0.35 0.66 -0.22 -1.00 0.00 0.00 179.01 179.01 1dby h LYS 104 N 0.55 0.34 -0.58 2.33 3.64 -1.43 0.87 116.57 122.30 1dby h LYS 104 Ca 0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1dby h LYS 104 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1dby h LYS 104 CO -0.12 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 177.95 1dby n TYR 105 N -4.80 1.28 -3.21 1.91 4.01 0.14 -4.77 117.16 111.71 1dby n TYR 105 Ca 0.30 -0.62 -0.01 0.00 -0.16 0.00 0.00 57.90 57.41 1dby n TYR 105 Cb 0.98 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.78 1dby n TYR 105 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1dby s LEU 106 N -1.80 -1.33 0.00 7.72 1.43 0.30 -5.09 118.68 119.91 1dby s LEU 106 Ca 0.47 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1dby s LEU 106 Cb 0.30 1.73 0.00 0.00 0.03 0.00 0.00 46.19 48.25 1dby s LEU 106 CO 0.22 -0.27 0.00 -3.20 0.23 0.00 0.00 176.35 173.33