#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 2.92 -0.83 2.12 -1.05 -1.24 -4.20 118.70 116.42 1dby s GLU 2 Ca 0.00 0.19 -0.24 0.00 -0.15 0.00 0.00 54.97 54.77 1dby s GLU 2 Cb 0.00 -2.17 -0.18 0.00 -0.44 0.00 0.00 34.13 31.34 1dby s GLU 2 CO 0.00 -0.82 1.90 0.00 0.95 0.00 0.00 175.26 177.29 1dby n ALA 3 N -2.74 2.06 -1.57 -0.84 0.00 -1.26 -4.58 120.51 111.57 1dby n ALA 3 Ca 0.05 -2.99 -0.32 0.00 0.00 0.00 0.00 53.44 50.18 1dby n ALA 3 Cb 0.57 -3.57 0.04 0.00 0.00 0.00 0.00 19.45 16.49 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 6.22 1.86 -0.31 0.00 0.00 -1.25 -4.81 107.32 109.04 1dby s GLY 4 Ca 0.66 0.24 -0.13 0.00 0.00 0.00 0.00 44.72 45.48 1dby s GLY 4 CO 0.17 0.56 0.28 0.00 0.00 0.00 0.00 173.10 174.10 1dby s ALA 5 N -2.78 3.52 0.25 3.20 0.00 -1.26 -0.65 121.76 124.05 1dby s ALA 5 Ca 0.61 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1dby s ALA 5 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1dby s ALA 5 CO 0.47 -0.81 0.21 0.14 0.00 0.00 0.00 175.76 175.77 1dby s VAL 6 N 1.87 4.46 0.31 0.00 -7.23 0.33 -4.93 120.40 115.20 1dby s VAL 6 Ca 0.09 -1.38 -0.10 0.00 -1.81 0.00 0.00 61.98 58.78 1dby s VAL 6 Cb -0.16 -3.42 0.01 0.00 0.56 0.00 0.00 36.38 33.37 1dby s VAL 6 CO 0.11 -0.34 0.54 0.21 -0.31 0.00 0.00 175.10 175.30 1dby s ASN 7 N -3.85 0.28 0.16 4.85 3.84 -1.26 -3.01 114.94 115.94 1dby s ASN 7 Ca 0.33 -1.16 -0.24 0.00 0.21 0.00 0.00 52.86 52.00 1dby s ASN 7 Cb -0.08 0.66 0.02 0.00 -0.55 0.00 0.00 41.25 41.30 1dby s ASN 7 CO 0.25 -1.30 1.37 -0.67 -2.79 0.00 0.00 177.10 173.96 1dby n ASP 8 N -0.93 -0.84 0.11 -4.21 -0.08 -1.26 -0.46 116.55 108.88 1dby n ASP 8 Ca -0.02 1.57 -0.06 0.00 -1.51 0.00 0.00 54.79 54.77 1dby n ASP 8 Cb 0.61 -0.25 -0.03 0.00 2.34 0.00 0.00 41.12 43.80 1dby n ASP 8 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1dby h ASP 9 N 0.00 -0.40 -0.62 1.67 3.58 -2.00 -3.22 116.42 115.42 1dby h ASP 9 Ca 0.19 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.76 1dby h ASP 9 Cb 0.41 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 1dby h ASP 9 CO -0.85 -0.22 0.23 0.71 -2.88 0.00 0.00 179.24 176.24 1dby h THR 10 N -0.33 0.76 -0.89 2.25 1.35 -1.78 -2.75 112.91 111.51 1dby h THR 10 Ca -0.03 -0.14 0.17 0.00 -0.55 0.00 0.00 66.41 65.87 1dby h THR 10 Cb 0.28 0.31 -0.17 0.00 -1.73 0.00 0.00 68.15 66.84 1dby h THR 10 CO 0.00 0.08 -0.24 0.15 -0.25 0.00 0.00 175.52 175.26 1dby h PHE 11 N 0.41 -0.53 -0.66 4.73 3.57 -0.78 0.23 116.94 123.91 1dby h PHE 11 Ca 0.32 0.08 0.14 0.00 3.53 0.00 0.00 57.97 62.04 1dby h PHE 11 Cb 0.39 0.37 -0.11 0.00 2.79 0.00 0.00 35.95 39.40 1dby h PHE 11 CO -0.17 -0.39 -0.00 0.87 -2.23 0.00 0.00 178.31 176.39 1dby h LYS 12 N -0.01 0.11 0.00 1.11 1.57 -1.50 0.29 116.57 118.14 1dby h LYS 12 Ca 0.42 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1dby h LYS 12 Cb 0.65 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1dby h LYS 12 CO -0.92 0.07 -0.05 -0.91 -0.57 0.00 0.00 179.45 177.07 1dby h ASN 13 N 0.11 0.00 0.13 0.86 -0.26 -0.89 0.68 115.58 116.22 1dby h ASN 13 Ca 0.35 -0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 56.01 1dby h ASN 13 Cb 0.57 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1dby h ASN 13 CO -0.57 0.54 -0.21 0.58 -1.06 0.00 0.00 177.43 176.71 1dby h VAL 14 N -1.00 1.20 0.00 2.81 2.07 -0.66 -3.21 116.25 117.45 1dby h VAL 14 Ca -0.00 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1dby h VAL 14 Cb 0.07 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1dby h VAL 14 CO -0.00 0.28 -0.80 0.52 0.02 0.00 0.00 177.57 177.59 1dby n VAL 15 N -4.22 1.07 0.19 2.57 0.31 0.90 -4.54 118.33 114.61 1dby n VAL 15 Ca -0.01 0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 1dby n VAL 15 Cb 0.31 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.38 -0.48 -3.24 7.52 3.38 -1.11 -3.24 115.31 117.77 1dby h LEU 16 Ca -0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1dby h LEU 16 Cb 0.68 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1dby h LEU 16 CO -0.06 -0.05 -0.09 -0.62 0.09 0.00 0.00 178.44 177.72 1dby n GLU 17 N -5.15 1.22 -3.37 1.13 1.02 0.22 -0.46 120.64 115.26 1dby n GLU 17 Ca -0.07 -0.23 -0.33 0.00 -0.02 0.00 0.00 57.16 56.51 1dby n GLU 17 Cb 0.22 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 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 2.00 6.70 -0.09 1.62 1.04 -1.22 -4.79 113.70 118.96 1dby s SER 18 Ca 0.15 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.54 1dby s SER 18 Cb 0.07 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 1dby s SER 18 CO 0.00 -0.03 -0.09 0.77 0.98 0.00 0.00 173.24 174.87 1dby h SER 19 N 2.83 0.00 -4.10 7.02 4.64 -1.91 -3.39 113.55 118.64 1dby h SER 19 Ca -0.47 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.39 1dby h SER 19 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1dby h SER 19 CO 0.68 0.49 0.36 0.68 -0.87 0.00 0.00 176.83 178.16 1dby s VAL 20 N -1.75 4.33 0.76 0.95 -7.23 -1.26 -4.82 120.40 111.37 1dby s VAL 20 Ca -0.08 1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 61.33 1dby s VAL 20 Cb 0.01 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.40 1dby s VAL 20 CO 0.12 -0.41 1.08 -2.16 -0.31 0.00 0.00 175.10 173.41 1dby s PRO 21 N -3.46 2.38 -0.16 4.82 0.04 -1.26 -4.76 135.00 132.59 1dby s PRO 21 Ca 0.62 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1dby s PRO 21 Cb -0.10 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1dby s PRO 21 CO 0.20 -1.53 0.40 0.08 0.04 0.00 0.00 177.00 176.19 1dby s VAL 22 N -2.95 -0.02 -0.45 -0.36 1.01 0.69 -3.11 120.40 115.21 1dby s VAL 22 Ca 0.60 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 1dby s VAL 22 Cb -0.16 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1dby s VAL 22 CO 0.56 0.03 0.63 -0.22 0.00 0.00 0.00 175.10 176.10 1dby s LEU 23 N 0.96 4.57 -0.42 3.92 0.20 -1.14 -0.28 118.68 126.48 1dby s LEU 23 Ca -0.06 -0.43 -0.18 0.00 0.69 0.00 0.00 54.13 54.16 1dby s LEU 23 Cb -0.06 -2.68 0.02 0.00 -0.43 0.00 0.00 46.19 43.04 1dby s LEU 23 CO -0.08 -0.79 0.46 -0.69 -0.29 0.00 0.00 176.35 174.97 1dby s VAL 24 N 2.78 5.05 -0.38 1.68 1.01 0.32 -0.24 120.40 130.61 1dby s VAL 24 Ca 0.21 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1dby s VAL 24 Cb -0.15 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1dby s VAL 24 CO 0.18 -0.44 0.80 -0.62 0.00 0.00 0.00 175.10 175.02 1dby s ASP 25 N 1.83 6.54 -0.47 3.32 2.15 0.04 -1.26 116.67 128.82 1dby s ASP 25 Ca 0.13 0.28 -0.29 0.00 0.43 0.00 0.00 52.55 53.11 1dby s ASP 25 Cb -0.17 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1dby s ASP 25 CO 0.14 -0.79 1.19 -0.36 -0.17 0.00 0.00 175.17 175.18 1dby s PHE 26 N 3.21 2.73 0.16 -5.34 0.40 0.47 -0.38 117.98 119.22 1dby s PHE 26 Ca 0.32 0.69 0.02 0.00 -0.60 0.00 0.00 56.93 57.36 1dby s PHE 26 Cb -0.13 -4.43 -0.01 0.00 0.51 0.00 0.00 43.02 38.97 1dby s PHE 26 CO 0.19 -1.42 0.05 -2.67 0.70 0.00 0.00 175.22 172.07 1dby n TRP 27 N 8.07 0.06 -3.57 0.36 4.27 -0.03 -3.40 117.44 123.19 1dby n TRP 27 Ca 0.13 -0.99 -0.10 0.00 -3.89 0.00 0.00 57.50 52.64 1dby n TRP 27 Cb 0.49 -0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.39 1dby n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby s ALA 28 N -2.42 -1.93 0.28 -1.67 0.00 -1.26 -0.02 121.76 114.73 1dby s ALA 28 Ca 0.08 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1dby s ALA 28 Cb 0.00 -0.66 0.54 0.00 0.00 0.00 0.00 23.12 23.00 1dby s ALA 28 CO 0.05 -0.33 1.83 -1.00 0.00 0.00 0.00 175.76 176.32 1dby h PRO 29 N 2.51 0.96 0.00 0.00 0.13 -2.00 0.99 132.00 134.59 1dby h PRO 29 Ca -0.18 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1dby h PRO 29 Cb 1.17 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1dby h PRO 29 CO 0.31 0.63 0.00 -2.67 -0.23 0.00 0.00 178.00 176.04 1dby n TRP 30 N -4.62 0.74 -2.42 1.56 4.27 -1.26 -4.53 117.44 111.17 1dby n TRP 30 Ca 0.18 0.29 -0.38 0.00 -3.89 0.00 0.00 57.50 53.70 1dby n TRP 30 Cb 0.34 -0.97 -0.03 0.00 -1.36 0.00 0.00 31.31 29.30 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby n GLY 32 N 6.08 -2.65 0.31 0.00 0.00 -1.26 -0.42 105.19 107.25 1dby n GLY 32 Ca 0.42 1.04 0.18 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 0.11 1.61 0.13 -1.90 -0.64 132.00 131.31 1dby h PRO 33 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1dby h PRO 33 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1dby h PRO 33 CO -0.73 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 176.99 1dby h ARG 35 N -1.02 -0.06 0.00 0.00 2.43 -0.13 0.40 114.38 115.99 1dby h ARG 35 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1dby h ARG 35 Cb 0.24 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1dby h ARG 35 CO 0.03 -0.04 -0.14 -0.84 -1.51 0.00 0.00 179.97 177.47 1dby h ILE 36 N -0.06 0.38 0.00 1.20 -0.00 -1.31 -2.91 117.51 114.81 1dby h ILE 36 Ca 0.32 -0.81 -0.22 0.00 -0.00 0.00 0.00 64.86 64.15 1dby h ILE 36 Cb 0.58 1.60 -0.04 0.00 -0.00 0.00 0.00 36.82 38.96 1dby h ILE 36 CO -0.82 0.13 -1.58 -0.38 -0.00 0.00 0.00 178.15 175.50 1dby n ILE 37 N -3.33 1.32 -0.34 0.16 2.08 0.53 -4.46 119.36 115.32 1dby n ILE 37 Ca -0.00 -0.73 0.19 0.00 0.56 0.00 0.00 62.75 62.76 1dby n ILE 37 Cb 0.35 -0.81 0.36 0.00 -0.75 0.00 0.00 39.64 38.79 1dby n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1dby n ALA 38 N -2.46 0.63 -0.21 -1.39 0.00 0.11 0.32 120.51 117.50 1dby n ALA 38 Ca -0.13 1.04 0.01 0.00 0.00 0.00 0.00 53.44 54.37 1dby n ALA 38 Cb 0.92 -0.83 0.26 0.00 0.00 0.00 0.00 19.45 19.80 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 0.95 -0.35 0.00 0.11 -1.78 0.21 132.00 131.14 1dby h PRO 39 Ca 0.66 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.63 1dby h PRO 39 Cb 1.47 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1dby h PRO 39 CO -0.89 0.63 -0.09 0.28 -0.21 0.00 0.00 178.00 177.72 1dby h VAL 40 N 0.98 1.28 -0.81 3.15 2.07 -0.42 0.15 116.25 122.64 1dby h VAL 40 Ca 0.28 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1dby h VAL 40 Cb -0.08 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1dby h VAL 40 CO -0.07 0.38 0.54 0.58 0.02 0.00 0.00 177.57 179.03 1dby h VAL 41 N 0.47 1.21 -0.09 2.57 2.07 -0.25 0.19 116.25 122.42 1dby h VAL 41 Ca 0.09 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1dby h VAL 41 Cb 0.60 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1dby h VAL 41 CO 0.04 0.20 0.02 0.44 0.02 0.00 0.00 177.57 178.28 1dby h ASP 42 N 1.10 0.14 -0.92 0.57 3.32 -0.42 -2.16 116.42 118.05 1dby h ASP 42 Ca 0.30 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1dby h ASP 42 Cb -0.13 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1dby h ASP 42 CO -0.07 0.36 0.56 1.05 -1.72 0.00 0.00 179.24 179.43 1dby h GLU 43 N -0.08 1.24 -0.52 3.56 4.11 -0.36 0.17 114.58 122.72 1dby h GLU 43 Ca 0.03 -0.11 0.09 0.00 0.07 0.00 0.00 59.36 59.44 1dby h GLU 43 Cb 0.28 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1dby h GLU 43 CO 0.00 0.86 0.11 0.82 0.07 0.00 0.00 179.01 180.87 1dby h ILE 44 N 1.26 0.71 0.05 -1.06 2.04 -0.84 0.16 117.51 119.84 1dby h ILE 44 Ca 0.33 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 66.12 1dby h ILE 44 Cb -0.07 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1dby h ILE 44 CO -0.06 0.05 -0.15 0.00 0.00 0.00 0.00 178.15 177.98 1dby h ALA 45 N 1.40 -0.22 -0.93 1.87 0.00 -0.44 -1.07 119.26 119.86 1dby h ALA 45 Ca 0.26 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.38 1dby h ALA 45 Cb 0.35 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1dby h ALA 45 CO -0.33 -0.66 0.47 0.78 0.00 0.00 0.00 179.25 179.51 1dby h GLY 46 N -0.28 1.64 0.00 0.00 0.00 0.67 -1.15 103.07 103.95 1dby h GLY 46 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1dby h GLY 46 CO -0.11 -0.22 0.00 1.18 0.00 0.00 0.00 176.54 177.39 1dby n GLU 47 N -4.96 0.00 -1.23 4.80 1.02 0.44 -3.99 120.64 116.71 1dby n GLU 47 Ca 0.23 0.49 -0.20 0.00 -0.02 0.00 0.00 57.16 57.66 1dby n GLU 47 Cb 0.65 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.96 1.04 -0.02 -0.32 4.01 -0.45 -4.72 117.16 114.74 1dby n TYR 48 Ca 0.00 -1.77 -0.09 0.00 -0.16 0.00 0.00 57.90 55.88 1dby n TYR 48 Cb 0.00 -1.36 -0.02 0.00 -0.31 0.00 0.00 39.34 37.64 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 2.74 -0.18 0.00 -0.72 2.10 -1.34 -2.62 116.57 116.55 1dby h LYS 49 Ca 0.30 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1dby h LYS 49 Cb 0.99 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1dby h LYS 49 CO 0.63 -0.12 0.00 -3.47 -2.00 0.00 0.00 179.45 174.49 1dby n ASP 50 N -5.32 0.00 0.12 7.07 2.03 -1.26 0.58 116.55 119.77 1dby n ASP 50 Ca -0.02 0.63 -0.23 0.00 0.52 0.00 0.00 54.79 55.69 1dby n ASP 50 Cb 0.23 -0.38 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.56 0.00 -0.67 1.57 -1.93 0.27 116.57 116.37 1dby h LYS 51 Ca 0.00 -0.85 -0.10 0.00 -1.87 0.00 0.00 60.65 57.83 1dby h LYS 51 Cb 0.00 0.30 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1dby h LYS 51 CO 0.00 1.39 -0.03 -0.11 -0.57 0.00 0.00 179.45 180.13 1dby n LEU 52 N -3.74 0.00 -4.56 2.94 7.94 -0.99 -4.23 117.00 114.37 1dby n LEU 52 Ca -0.15 -0.51 -0.37 0.00 -1.11 0.00 0.00 56.01 53.87 1dby n LEU 52 Cb 1.04 -0.04 -0.04 0.00 0.53 0.00 0.00 43.42 44.92 1dby n LEU 52 CO 0.59 -0.42 1.41 -1.59 -1.11 0.00 0.00 177.39 176.28 1dby s LYS 53 N -2.46 3.18 -0.22 1.96 0.00 -1.18 -0.04 119.74 120.98 1dby s LYS 53 Ca 0.08 -0.68 -0.08 0.00 0.00 0.00 0.00 55.97 55.30 1dby s LYS 53 Cb -0.01 -5.09 0.09 0.00 0.00 0.00 0.00 37.83 32.83 1dby s LYS 53 CO 0.05 -2.58 0.47 0.00 0.00 0.00 0.00 175.35 173.29 1dby s VAL 55 N 2.45 0.02 -0.16 0.00 -7.23 0.67 -3.88 120.40 112.26 1dby s VAL 55 Ca -0.04 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1dby s VAL 55 Cb -0.11 -1.43 0.04 0.00 0.56 0.00 0.00 36.38 35.44 1dby s VAL 55 CO -0.14 -0.08 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.99 1dby s LYS 56 N -3.84 1.32 -0.43 4.82 3.01 0.18 -0.78 119.74 124.03 1dby s LYS 56 Ca 0.06 -0.47 -0.20 0.00 -1.01 0.00 0.00 55.97 54.35 1dby s LYS 56 Cb -0.02 -1.95 0.02 0.00 -1.01 0.00 0.00 37.83 34.87 1dby s LYS 56 CO -0.05 -0.44 0.60 -1.17 0.51 0.00 0.00 175.35 174.80 1dby s LEU 57 N 1.67 4.56 -0.51 3.17 1.98 0.49 -0.51 118.68 129.53 1dby s LEU 57 Ca 0.01 -0.39 -0.27 0.00 -2.89 0.00 0.00 54.13 50.59 1dby s LEU 57 Cb -0.15 -2.66 -0.02 0.00 0.66 0.00 0.00 46.19 44.02 1dby s LEU 57 CO -0.08 -0.73 1.79 0.21 -1.89 0.00 0.00 176.35 175.65 1dby s ASN 58 N 1.96 5.57 -0.73 3.68 3.84 -1.17 -0.85 114.94 127.25 1dby s ASN 58 Ca 0.21 0.65 -0.06 0.00 0.21 0.00 0.00 52.86 53.86 1dby s ASN 58 Cb -0.15 -2.53 -0.08 0.00 -0.55 0.00 0.00 41.25 37.95 1dby s ASN 58 CO 0.18 -2.08 3.04 0.41 -2.79 0.00 0.00 177.10 175.85 1dby n THR 59 N 7.24 3.79 0.00 -5.21 -1.04 0.97 -0.55 114.28 119.48 1dby n THR 59 Ca 0.20 -2.63 0.00 0.00 -2.04 0.00 0.00 64.05 59.58 1dby n THR 59 Cb 0.50 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1dby n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1dby n ASP 60 N 2.20 0.00 0.09 8.00 -0.08 -1.26 -4.80 116.55 120.70 1dby n ASP 60 Ca 0.56 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1dby n ASP 60 Cb 0.55 0.24 -0.04 0.00 2.34 0.00 0.00 41.12 44.21 1dby n ASP 60 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1dby h GLU 61 N 0.00 0.00 -1.83 -0.67 4.11 -1.94 -3.37 114.58 110.88 1dby h GLU 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.80 1dby h GLU 61 Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 1dby h GLU 61 CO 0.00 0.52 -0.34 0.43 0.07 0.00 0.00 179.01 179.70 1dby n SER 62 N -3.14 5.23 0.23 3.06 7.64 0.28 -4.79 113.62 122.13 1dby n SER 62 Ca -0.02 -3.73 0.09 0.00 1.01 0.00 0.00 58.87 56.22 1dby n SER 62 Cb 0.81 -0.62 0.55 0.00 -1.01 0.00 0.00 64.21 63.95 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 2.84 0.00 0.00 1.43 0.13 -1.79 -3.05 132.00 131.56 1dby h PRO 63 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1dby h PRO 63 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1dby h PRO 63 CO 0.95 0.22 0.00 0.09 -0.23 0.00 0.00 178.00 179.03 1dby n ASN 64 N -3.66 0.00 -0.14 1.44 4.13 -1.26 -0.09 115.26 115.68 1dby n ASN 64 Ca -0.01 0.97 -0.03 0.00 1.68 0.00 0.00 54.58 57.19 1dby n ASN 64 Cb 0.34 -0.47 0.04 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.59 -0.75 2.41 2.07 -1.97 0.24 116.25 118.84 1dby h VAL 65 Ca 0.00 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1dby h VAL 65 Cb 0.00 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 1dby h VAL 65 CO 0.00 0.01 0.35 0.00 0.02 0.00 0.00 177.57 177.95 1dby h ALA 66 N 1.43 1.06 -0.17 1.67 0.00 -1.39 0.47 119.26 122.34 1dby h ALA 66 Ca 0.22 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1dby h ALA 66 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dby h ALA 66 CO -0.43 -0.11 -0.16 0.77 0.00 0.00 0.00 179.25 179.32 1dby h SER 67 N 0.55 0.43 -0.54 0.00 0.02 0.82 0.21 113.55 115.04 1dby h SER 67 Ca 0.39 -0.47 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1dby h SER 67 Cb 0.51 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1dby h SER 67 CO -0.33 0.81 0.22 -0.33 -1.14 0.00 0.00 176.83 176.06 1dby h GLU 68 N 0.05 0.40 0.03 3.45 5.08 -0.23 -2.44 114.58 120.92 1dby h GLU 68 Ca 0.03 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1dby h GLU 68 Cb 0.69 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1dby h GLU 68 CO 0.04 0.27 -1.03 1.88 -1.00 0.00 0.00 179.01 179.16 1dby h TYR 69 N 0.42 0.14 -1.15 4.33 0.05 -0.94 -3.49 116.97 116.32 1dby h TYR 69 Ca 0.26 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1dby h TYR 69 Cb 0.26 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1dby h TYR 69 CO -0.15 1.05 0.00 0.41 -1.05 0.00 0.00 178.16 178.42 1dby n GLY 70 N 1.32 0.58 3.63 3.88 0.00 0.54 -5.02 105.19 110.13 1dby n GLY 70 Ca -0.02 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.15 3.87 0.11 -0.61 -1.09 -0.05 -4.90 121.20 116.38 1dby s ILE 71 Ca 0.00 0.99 -0.01 0.00 -2.23 0.00 0.00 60.65 59.40 1dby s ILE 71 Cb 0.00 -3.85 -0.22 0.00 -1.58 0.00 0.00 42.46 36.81 1dby s ILE 71 CO 0.00 -0.32 1.25 -0.09 -1.23 0.00 0.00 174.94 174.55 1dby h ARG 72 N 10.04 0.22 0.00 2.79 2.43 -1.95 -3.48 114.38 124.43 1dby h ARG 72 Ca -0.31 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 58.56 1dby h ARG 72 Cb 1.13 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1dby h ARG 72 CO 1.01 1.10 0.14 0.45 -1.51 0.00 0.00 179.97 181.15 1dby n SER 73 N -3.56 -0.72 -3.92 -3.80 2.88 -1.26 -5.19 113.62 98.05 1dby n SER 73 Ca -0.06 -1.46 -0.10 0.00 -1.33 0.00 0.00 58.87 55.93 1dby n SER 73 Cb 0.93 1.18 -0.11 0.00 -0.75 0.00 0.00 64.21 65.46 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 -2.58 0.09 0.27 2.46 -4.36 -1.26 -4.20 121.20 111.62 1dby s ILE 74 Ca 0.06 -0.73 -0.29 0.00 -0.26 0.00 0.00 60.65 59.42 1dby s ILE 74 Cb -0.01 -0.32 -0.09 0.00 1.25 0.00 0.00 42.46 43.28 1dby s ILE 74 CO 0.03 -0.40 1.14 -2.16 0.24 0.00 0.00 174.94 173.79 1dby s PRO 75 N -1.29 4.59 -0.12 0.37 0.04 -1.26 -4.81 135.00 132.51 1dby s PRO 75 Ca -0.14 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1dby s PRO 75 Cb -0.08 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.30 1dby s PRO 75 CO 0.00 0.12 -0.06 0.99 0.04 0.00 0.00 177.00 178.09 1dby s THR 76 N -1.00 0.97 -0.41 1.26 2.01 -1.22 -0.83 115.64 116.42 1dby s THR 76 Ca 0.46 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 1dby s THR 76 Cb -0.33 -1.04 0.11 0.00 0.01 0.00 0.00 72.50 71.25 1dby s THR 76 CO 0.42 0.30 0.21 -0.63 -0.69 0.00 0.00 174.62 174.23 1dby s ILE 77 N 1.72 3.38 -0.04 1.82 1.01 0.45 -0.40 121.20 129.15 1dby s ILE 77 Ca 0.04 -2.00 -0.14 0.00 0.00 0.00 0.00 60.65 58.56 1dby s ILE 77 Cb -0.13 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1dby s ILE 77 CO -0.08 -0.68 0.37 -0.04 0.00 0.00 0.00 174.94 174.52 1dby s MET 78 N 1.17 3.92 -0.47 2.79 -1.94 -0.39 -0.44 119.30 123.94 1dby s MET 78 Ca 0.07 0.32 -0.14 0.00 -1.71 0.00 0.00 55.69 54.23 1dby s MET 78 Cb -0.23 -3.25 0.08 0.00 2.01 0.00 0.00 34.83 33.44 1dby s MET 78 CO -0.04 0.62 0.38 0.08 -0.01 0.00 0.00 175.02 176.06 1dby s VAL 79 N -0.81 5.01 0.33 -6.03 1.01 -0.01 -0.52 120.40 119.37 1dby s VAL 79 Ca 0.22 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 1dby s VAL 79 Cb -0.16 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1dby s VAL 79 CO 0.11 -0.60 0.84 -0.36 0.00 0.00 0.00 175.10 175.09 1dby s PHE 80 N 1.59 3.48 -0.03 5.22 0.40 0.62 -0.16 117.98 129.09 1dby s PHE 80 Ca 0.04 1.49 0.07 0.00 -0.60 0.00 0.00 56.93 57.92 1dby s PHE 80 Cb -0.25 -2.73 0.11 0.00 0.51 0.00 0.00 43.02 40.67 1dby s PHE 80 CO 0.05 0.11 1.05 0.36 0.70 0.00 0.00 175.22 177.49 1dby n LYS 81 N -0.03 0.24 0.00 0.44 0.00 -1.09 -0.22 118.16 117.49 1dby n LYS 81 Ca 0.03 -1.43 0.00 0.00 -0.00 0.00 0.00 58.31 56.91 1dby n LYS 81 Cb 0.52 -0.62 0.00 0.00 -0.00 0.00 0.00 35.03 34.94 1dby n LYS 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dby n GLY 82 N -0.18 1.85 5.00 2.58 0.00 -1.26 -4.84 105.19 108.33 1dby n GLY 82 Ca 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 2.69 1.02 3.29 -0.02 0.00 0.40 -4.78 105.19 107.78 1dby n GLY 83 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1dby n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dby n LYS 84 N 0.00 0.44 -3.25 1.61 5.02 -1.26 -4.85 118.16 115.86 1dby n LYS 84 Ca 0.00 -3.41 -0.30 0.00 -2.02 0.00 0.00 58.31 52.57 1dby n LYS 84 Cb 0.00 2.64 -0.04 0.00 -0.02 0.00 0.00 35.03 37.61 1dby n LYS 84 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1dby s LYS 85 N -3.41 3.75 0.00 1.97 -2.85 -1.26 -2.66 119.74 115.27 1dby s LYS 85 Ca 0.37 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1dby s LYS 85 Cb 0.02 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 1dby s LYS 85 CO 0.26 0.19 0.00 0.00 0.10 0.00 0.00 175.35 175.91 1dby s GLU 87 N -0.89 3.24 -0.26 0.00 0.41 -1.23 -4.95 118.70 115.01 1dby s GLU 87 Ca 0.00 -0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 53.89 1dby s GLU 87 Cb 0.00 -2.71 0.15 0.00 -1.78 0.00 0.00 34.13 29.78 1dby s GLU 87 CO 0.00 0.04 0.43 0.99 -0.49 0.00 0.00 175.26 176.23 1dby s THR 88 N -2.29 -0.69 0.34 3.63 2.01 -1.26 -0.83 115.64 116.54 1dby s THR 88 Ca 0.43 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.36 1dby s THR 88 Cb -0.10 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1dby s THR 88 CO 0.34 -0.12 0.53 -0.63 -0.69 0.00 0.00 174.62 174.05 1dby s ILE 89 N 2.61 4.98 -0.00 1.82 -1.09 0.41 -4.92 121.20 125.01 1dby s ILE 89 Ca 0.14 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1dby s ILE 89 Cb -0.15 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1dby s ILE 89 CO -0.19 -0.49 0.08 -0.63 -1.23 0.00 0.00 174.94 172.49 1dby s ILE 90 N -2.29 0.07 0.00 2.92 1.01 -1.26 -0.41 121.20 121.24 1dby s ILE 90 Ca 0.40 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1dby s ILE 90 Cb -0.10 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1dby s ILE 90 CO 0.35 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1dby n GLY 91 N 1.89 -1.20 3.57 6.18 0.00 -0.01 -4.68 105.19 110.95 1dby n GLY 91 Ca -0.20 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 92 N -2.07 1.51 0.48 4.61 0.00 -1.26 -4.78 121.76 120.25 1dby s ALA 92 Ca 0.00 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 49.91 1dby s ALA 92 Cb 0.00 -4.65 -0.09 0.00 0.00 0.00 0.00 23.12 18.38 1dby s ALA 92 CO 0.00 -5.46 0.98 0.08 0.00 0.00 0.00 175.76 171.37 1dby s VAL 93 N 11.99 4.27 0.37 0.00 1.01 -1.26 -5.06 120.40 131.72 1dby s VAL 93 Ca 0.72 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 1dby s VAL 93 Cb -0.03 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 1dby s VAL 93 CO 0.11 -0.42 0.86 -2.84 0.00 0.00 0.00 175.10 172.81 1dby s PRO 94 N -3.49 4.17 0.25 2.72 0.02 -1.26 -4.98 135.00 132.43 1dby s PRO 94 Ca 0.62 0.96 -0.04 0.00 0.02 0.00 0.00 61.00 62.56 1dby s PRO 94 Cb -0.11 -2.35 0.40 0.00 0.02 0.00 0.00 34.50 32.46 1dby s PRO 94 CO 0.21 0.08 1.81 1.57 -0.33 0.00 0.00 177.00 180.34 1dby h LYS 95 N 2.20 0.75 -0.79 5.54 2.10 -1.97 -2.45 116.57 121.96 1dby h LYS 95 Ca -0.48 -0.05 0.15 0.00 -2.00 0.00 0.00 60.65 58.27 1dby h LYS 95 Cb 1.18 -0.17 -0.15 0.00 -0.90 0.00 0.00 32.23 32.19 1dby h LYS 95 CO 0.63 0.50 -0.27 0.00 -2.00 0.00 0.00 179.45 178.31 1dby h ALA 96 N 1.46 0.33 0.02 0.07 0.00 -1.98 0.25 119.26 119.40 1dby h ALA 96 Ca 0.40 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 1dby h ALA 96 Cb 0.38 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1dby h ALA 96 CO -0.25 -0.51 -0.01 1.15 0.00 0.00 0.00 179.25 179.63 1dby h THR 97 N -0.04 1.04 0.15 0.00 2.02 -1.84 -0.18 112.91 114.05 1dby h THR 97 Ca 0.35 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.37 1dby h THR 97 Cb 0.59 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1dby h THR 97 CO -0.83 0.04 -0.36 0.40 0.37 0.00 0.00 175.52 175.15 1dby h ILE 98 N -0.10 0.25 -0.00 3.11 2.04 -0.95 0.64 117.51 122.50 1dby h ILE 98 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1dby h ILE 98 Cb 0.10 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1dby h ILE 98 CO 0.00 0.00 -0.32 0.58 0.00 0.00 0.00 178.15 178.41 1dby h VAL 99 N -0.61 0.00 -0.58 1.67 2.07 -0.54 -0.66 116.25 117.61 1dby h VAL 99 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1dby h VAL 99 Cb 0.63 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1dby h VAL 99 CO -0.19 0.00 0.09 1.56 0.02 0.00 0.00 177.57 179.05 1dby h GLN 100 N -0.40 0.21 -0.51 1.57 1.08 -0.86 0.16 115.11 116.36 1dby h GLN 100 Ca 0.01 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1dby h GLN 100 Cb 0.43 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1dby h GLN 100 CO -0.21 0.14 0.30 1.15 -0.95 0.00 0.00 178.83 179.25 1dby h THR 101 N 0.22 1.03 -0.04 -0.54 2.02 -0.48 -2.28 112.91 112.83 1dby h THR 101 Ca 0.30 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 1dby h THR 101 Cb 0.45 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1dby h THR 101 CO -0.41 0.11 -0.47 0.58 0.37 0.00 0.00 175.52 175.69 1dby h VAL 102 N 0.59 1.42 -0.81 3.16 2.07 -0.12 -3.29 116.25 119.26 1dby h VAL 102 Ca 0.21 -1.91 0.19 0.00 0.82 0.00 0.00 66.70 66.01 1dby h VAL 102 Cb 0.05 2.44 -0.12 0.00 -1.52 0.00 0.00 31.29 32.14 1dby h VAL 102 CO -0.11 0.56 0.28 -0.33 0.02 0.00 0.00 177.57 177.98 1dby h GLU 103 N -0.10 0.33 -0.92 1.57 4.39 -0.56 0.36 114.58 119.66 1dby h GLU 103 Ca -0.05 -0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.90 1dby h GLU 103 Cb 1.15 -0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.58 1dby h GLU 103 CO 0.09 0.22 0.26 -0.22 -1.16 0.00 0.00 179.01 178.20 1dby h LYS 104 N 0.34 0.17 -0.01 2.33 3.64 -1.48 0.58 116.57 122.14 1dby h LYS 104 Ca 0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1dby h LYS 104 Cb 0.86 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1dby h LYS 104 CO -0.52 0.11 -0.50 0.66 -2.27 0.00 0.00 179.45 176.93 1dby n TYR 105 N -5.25 0.00 -3.06 1.91 4.01 0.11 -4.79 117.16 110.08 1dby n TYR 105 Ca 0.24 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.93 1dby n TYR 105 Cb 0.77 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.68 1dby n TYR 105 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1dby s LEU 106 N -2.70 -1.19 0.00 7.72 1.98 0.18 -5.11 118.68 119.56 1dby s LEU 106 Ca 0.17 -1.37 0.00 0.00 -2.89 0.00 0.00 54.13 50.04 1dby s LEU 106 Cb 0.18 1.66 0.00 0.00 0.66 0.00 0.00 46.19 48.69 1dby s LEU 106 CO 0.64 -0.13 0.00 -3.20 -1.89 0.00 0.00 176.35 171.76