#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby n GLU 2 N 0.00 0.00 -2.16 2.12 1.02 -1.26 -4.44 120.64 115.92 1dby n GLU 2 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1dby n GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dby s ALA 3 N 0.00 3.45 0.81 0.62 0.00 -1.25 -4.92 121.76 120.47 1dby s ALA 3 Ca 0.00 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 1dby s ALA 3 Cb 0.00 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.75 1dby s ALA 3 CO 0.00 -0.60 1.17 0.20 0.00 0.00 0.00 175.76 176.54 1dby s GLY 4 N -0.59 2.02 -0.20 0.00 0.00 0.61 -4.84 107.32 104.31 1dby s GLY 4 Ca 0.50 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.94 1dby s GLY 4 CO 0.50 1.12 -0.12 0.00 0.00 0.00 0.00 173.10 174.61 1dby s ALA 5 N -2.34 2.10 0.30 3.20 0.00 -1.26 -0.31 121.76 123.46 1dby s ALA 5 Ca 0.70 -1.27 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1dby s ALA 5 Cb -0.26 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 1dby s ALA 5 CO 0.52 -0.80 -0.08 0.14 0.00 0.00 0.00 175.76 175.54 1dby s VAL 6 N 1.35 1.93 0.28 0.00 -7.23 0.23 -4.94 120.40 112.01 1dby s VAL 6 Ca -0.01 -2.17 -0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1dby s VAL 6 Cb -0.16 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1dby s VAL 6 CO -0.08 -0.27 0.29 0.20 -0.31 0.00 0.00 175.10 174.93 1dby s ASN 7 N -3.51 0.77 0.23 4.85 -0.87 -1.26 -2.64 114.94 112.51 1dby s ASN 7 Ca 0.31 -1.47 -0.15 0.00 -1.57 0.00 0.00 52.86 49.97 1dby s ASN 7 Cb 0.03 0.52 0.27 0.00 -0.02 0.00 0.00 41.25 42.05 1dby s ASN 7 CO 0.14 -1.05 1.52 -0.67 -2.57 0.00 0.00 177.10 174.47 1dby n ASP 8 N -0.93 -0.58 0.24 -1.22 -0.08 -1.26 -0.14 116.55 112.57 1dby n ASP 8 Ca 0.03 1.70 -0.11 0.00 -1.51 0.00 0.00 54.79 54.90 1dby n ASP 8 Cb 0.63 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.63 1dby n ASP 8 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1dby h ASP 9 N 0.00 -0.56 -0.50 1.67 5.19 -1.97 -3.32 116.42 116.93 1dby h ASP 9 Ca 0.36 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.80 1dby h ASP 9 Cb 0.61 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 1dby h ASP 9 CO -0.98 -0.15 0.33 0.71 -3.12 0.00 0.00 179.24 176.04 1dby h THR 10 N -1.16 1.07 -0.78 0.35 1.35 -1.84 -2.11 112.91 109.79 1dby h THR 10 Ca -0.07 -0.20 0.17 0.00 -0.55 0.00 0.00 66.41 65.77 1dby h THR 10 Cb 0.53 0.43 -0.14 0.00 -1.73 0.00 0.00 68.15 67.24 1dby h THR 10 CO 0.11 0.11 -0.05 0.15 -0.25 0.00 0.00 175.52 175.58 1dby h PHE 11 N 0.58 -0.16 0.04 4.73 3.57 -0.63 0.18 116.94 125.24 1dby h PHE 11 Ca 0.20 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1dby h PHE 11 Cb 0.07 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1dby h PHE 11 CO -0.00 -0.28 -0.23 0.87 -2.23 0.00 0.00 178.31 176.44 1dby h LYS 12 N 0.06 -0.36 0.35 1.11 1.57 -1.49 0.34 116.57 118.14 1dby h LYS 12 Ca 0.41 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1dby h LYS 12 Cb 0.71 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1dby h LYS 12 CO -0.72 -0.24 -0.17 -0.91 -0.57 0.00 0.00 179.45 176.84 1dby h ASN 13 N -0.38 -0.40 0.02 0.86 -0.26 -1.26 0.93 115.58 115.09 1dby h ASN 13 Ca 0.05 -0.02 -0.25 0.00 -0.56 0.00 0.00 56.30 55.52 1dby h ASN 13 Cb 0.44 0.10 0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1dby h ASN 13 CO -0.18 -0.24 -0.95 0.58 -1.06 0.00 0.00 177.43 175.59 1dby h VAL 14 N -0.53 1.30 0.00 2.81 2.07 -0.63 -3.30 116.25 117.97 1dby h VAL 14 Ca -0.05 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1dby h VAL 14 Cb 0.40 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1dby h VAL 14 CO 0.08 0.68 -0.35 0.52 0.02 0.00 0.00 177.57 178.52 1dby n VAL 15 N -3.86 0.56 0.47 2.57 0.31 0.12 -4.43 118.33 114.07 1dby n VAL 15 Ca -0.09 0.37 -0.19 0.00 -0.01 0.00 0.00 64.34 64.42 1dby n VAL 15 Cb 0.83 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 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 -0.37 -1.01 -3.11 7.52 3.38 -1.22 -2.99 115.31 117.51 1dby h LEU 16 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1dby h LEU 16 Cb 0.35 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1dby h LEU 16 CO 0.00 -0.70 -0.02 -0.62 0.09 0.00 0.00 178.44 177.20 1dby n GLU 17 N -5.59 1.00 -0.49 1.13 1.02 0.29 -4.06 120.64 113.93 1dby n GLU 17 Ca -0.15 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1dby n GLU 17 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dby n SER 18 N 1.58 0.00 0.04 1.62 2.88 -1.13 -4.80 113.62 113.82 1dby n SER 18 Ca 0.02 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 1dby n SER 18 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1dby n SER 18 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dby n SER 19 N -2.83 0.14 -4.84 -3.46 3.41 -1.26 -4.61 113.62 100.17 1dby n SER 19 Ca 0.00 0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 58.43 1dby n SER 19 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1dby n SER 19 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1dby s VAL 20 N -1.39 4.33 0.96 -3.33 -7.23 -1.26 -4.14 120.40 108.35 1dby s VAL 20 Ca 0.00 0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 61.00 1dby s VAL 20 Cb 0.00 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.40 1dby s VAL 20 CO 0.00 -0.80 0.63 -2.65 -0.31 0.00 0.00 175.10 171.97 1dby n PRO 21 N -2.27 -0.53 -3.86 4.82 -0.02 -1.13 -4.72 135.00 127.29 1dby n PRO 21 Ca 0.07 -0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.32 1dby n PRO 21 Cb 0.54 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 1dby n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dby s VAL 22 N -2.46 -0.00 -0.24 -1.45 1.01 0.50 -0.38 120.40 117.39 1dby s VAL 22 Ca 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 1dby s VAL 22 Cb -0.21 -0.03 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1dby s VAL 22 CO 0.64 0.01 -0.06 -0.22 0.00 0.00 0.00 175.10 175.47 1dby s LEU 23 N 0.08 3.04 -0.26 3.92 0.20 0.04 -0.75 118.68 124.95 1dby s LEU 23 Ca -0.01 -0.69 -0.04 0.00 0.69 0.00 0.00 54.13 54.09 1dby s LEU 23 Cb -0.01 -1.69 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1dby s LEU 23 CO -0.00 -0.09 0.00 -0.69 -0.29 0.00 0.00 176.35 175.28 1dby s VAL 24 N 1.38 3.42 -0.41 1.68 1.01 0.12 0.09 120.40 127.69 1dby s VAL 24 Ca 0.03 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1dby s VAL 24 Cb -0.16 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1dby s VAL 24 CO -0.04 0.19 0.69 -0.62 0.00 0.00 0.00 175.10 175.31 1dby s ASP 25 N 1.42 6.40 -0.40 3.32 2.15 0.45 -0.43 116.67 129.59 1dby s ASP 25 Ca 0.02 -0.06 -0.29 0.00 0.43 0.00 0.00 52.55 52.65 1dby s ASP 25 Cb -0.16 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 1dby s ASP 25 CO -0.01 -0.75 1.18 -0.36 -0.17 0.00 0.00 175.17 175.06 1dby s PHE 26 N 2.92 2.84 0.18 -5.34 0.40 0.09 -0.47 117.98 118.61 1dby s PHE 26 Ca 0.26 0.87 0.01 0.00 -0.60 0.00 0.00 56.93 57.47 1dby s PHE 26 Cb -0.14 -4.13 -0.00 0.00 0.51 0.00 0.00 43.02 39.26 1dby s PHE 26 CO 0.18 -1.28 0.03 -2.67 0.70 0.00 0.00 175.22 172.18 1dby n TRP 27 N 7.65 0.26 -3.57 0.36 4.27 -0.08 -3.24 117.44 123.10 1dby n TRP 27 Ca 0.13 -1.03 -0.09 0.00 -3.89 0.00 0.00 57.50 52.62 1dby n TRP 27 Cb 0.48 -0.07 -0.04 0.00 -1.36 0.00 0.00 31.31 30.32 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 -2.40 -1.94 0.48 -1.67 0.00 -1.26 -0.58 121.76 114.39 1dby s ALA 28 Ca 0.04 1.51 0.19 0.00 0.00 0.00 0.00 51.96 53.71 1dby s ALA 28 Cb 0.00 -0.53 1.21 0.00 0.00 0.00 0.00 23.12 23.80 1dby s ALA 28 CO 0.03 -0.39 1.98 -1.00 0.00 0.00 0.00 175.76 176.38 1dby h PRO 29 N 2.39 0.21 0.00 0.00 0.13 -2.01 0.10 132.00 132.82 1dby h PRO 29 Ca -0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1dby h PRO 29 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1dby h PRO 29 CO 0.30 0.14 0.00 -2.67 -0.23 0.00 0.00 178.00 175.53 1dby n TRP 30 N -4.44 0.00 -2.61 1.56 4.27 -1.26 -4.65 117.44 110.31 1dby n TRP 30 Ca 0.10 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 1dby n TRP 30 Cb 0.50 -0.32 -0.02 0.00 -1.36 0.00 0.00 31.31 30.10 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 6.46 -2.53 0.25 0.00 0.00 -1.26 -0.98 105.19 107.13 1dby n GLY 32 Ca 0.35 0.89 0.03 0.00 0.00 0.00 0.00 46.02 47.28 1dby n GLY 32 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dby h PRO 33 N 0.00 0.17 -0.69 1.61 0.11 -1.95 -2.01 132.00 129.25 1dby h PRO 33 Ca 0.09 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.29 1dby h PRO 33 Cb 0.24 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.24 1dby h PRO 33 CO -0.55 0.11 0.32 0.00 -0.21 0.00 0.00 178.00 177.67 1dby h ARG 35 N 0.54 -0.01 0.00 0.00 3.08 -0.74 0.23 114.38 117.48 1dby h ARG 35 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1dby h ARG 35 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1dby h ARG 35 CO -0.29 -0.01 -0.19 -0.84 -1.07 0.00 0.00 179.97 177.58 1dby h ILE 36 N -0.01 0.00 0.16 2.04 -0.00 -1.34 -3.24 117.51 115.12 1dby h ILE 36 Ca 0.12 -0.97 -0.30 0.00 -0.00 0.00 0.00 64.86 63.71 1dby h ILE 36 Cb 0.20 1.87 0.03 0.00 -0.00 0.00 0.00 36.82 38.92 1dby h ILE 36 CO -0.27 0.00 -1.31 0.40 -0.00 0.00 0.00 178.15 176.97 1dby h ILE 37 N 0.00 1.32 -0.99 0.16 2.04 -0.31 -3.39 117.51 116.34 1dby h ILE 37 Ca 0.00 -2.64 0.21 0.00 1.00 0.00 0.00 64.86 63.44 1dby h ILE 37 Cb 0.98 2.84 -0.19 0.00 -0.74 0.00 0.00 36.82 39.71 1dby h ILE 37 CO 0.00 0.79 -0.19 0.00 0.00 0.00 0.00 178.15 178.75 1dby n ALA 38 N -2.66 0.30 -0.19 1.87 0.00 0.78 -0.14 120.51 120.46 1dby n ALA 38 Ca -0.14 1.09 -0.00 0.00 0.00 0.00 0.00 53.44 54.39 1dby n ALA 38 Cb 1.03 -0.68 0.24 0.00 0.00 0.00 0.00 19.45 20.03 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 0.94 -0.26 0.00 0.11 -1.76 0.11 132.00 131.14 1dby h PRO 39 Ca 0.50 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 1dby h PRO 39 Cb 0.84 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1dby h PRO 39 CO -1.00 0.67 -0.22 0.28 -0.21 0.00 0.00 178.00 177.51 1dby h VAL 40 N 0.96 1.31 -0.58 3.15 2.07 -0.78 -1.09 116.25 121.28 1dby h VAL 40 Ca 0.25 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.46 1dby h VAL 40 Cb -0.02 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1dby h VAL 40 CO -0.05 0.43 0.27 0.58 0.02 0.00 0.00 177.57 178.82 1dby h VAL 41 N 0.33 0.88 0.41 2.57 2.07 -0.23 0.38 116.25 122.66 1dby h VAL 41 Ca 0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1dby h VAL 41 Cb 0.78 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1dby h VAL 41 CO 0.06 0.09 -0.31 0.44 0.02 0.00 0.00 177.57 177.87 1dby h ASP 42 N 0.50 -0.82 -0.79 0.57 3.32 -0.55 -2.79 116.42 115.85 1dby h ASP 42 Ca 0.27 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.41 1dby h ASP 42 Cb 0.25 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1dby h ASP 42 CO -0.23 -0.44 0.52 1.05 -1.72 0.00 0.00 179.24 178.42 1dby h GLU 43 N -0.69 0.95 -0.92 3.56 4.11 -1.03 -1.00 114.58 119.56 1dby h GLU 43 Ca -0.05 -0.06 0.19 0.00 0.07 0.00 0.00 59.36 59.51 1dby h GLU 43 Cb 0.57 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 1dby h GLU 43 CO 0.01 0.63 0.60 0.82 0.07 0.00 0.00 179.01 181.14 1dby h ILE 44 N 0.98 0.72 -0.95 -1.06 1.08 -0.82 0.12 117.51 117.58 1dby h ILE 44 Ca 0.31 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.66 1dby h ILE 44 Cb 0.03 0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 33.84 1dby h ILE 44 CO -0.09 0.10 0.62 0.00 -0.69 0.00 0.00 178.15 178.09 1dby h ALA 45 N 1.61 1.45 0.02 1.87 0.00 -0.90 0.15 119.26 123.47 1dby h ALA 45 Ca 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1dby h ALA 45 Cb 1.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1dby h ALA 45 CO -0.23 0.41 -0.01 0.78 0.00 0.00 0.00 179.25 180.21 1dby h GLY 46 N 1.11 -0.03 0.34 0.00 0.00 -0.89 -1.66 103.07 101.94 1dby h GLY 46 Ca 0.40 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.85 1dby h GLY 46 CO -0.15 -0.01 0.31 0.83 0.00 0.00 0.00 176.54 177.52 1dby h GLU 47 N -0.49 0.49 -0.67 4.80 5.08 -0.71 -2.81 114.58 120.28 1dby h GLU 47 Ca -0.00 -0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 57.86 1dby h GLU 47 Cb 0.46 -0.11 -0.31 0.00 0.50 0.00 0.00 28.75 29.29 1dby h GLU 47 CO 0.00 0.32 -0.36 0.66 -1.00 0.00 0.00 179.01 178.64 1dby n TYR 48 N -4.94 2.32 -0.68 4.33 4.01 -0.02 -5.06 117.16 117.13 1dby n TYR 48 Ca 0.12 -2.21 -0.31 0.00 -0.16 0.00 0.00 57.90 55.34 1dby n TYR 48 Cb 0.32 -0.56 0.17 0.00 -0.31 0.00 0.00 39.34 38.96 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1dby n LYS 49 N -0.86 -0.82 0.00 -0.72 2.85 -0.63 -2.32 118.16 115.66 1dby n LYS 49 Ca 0.44 -0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 1dby n LYS 49 Cb 0.90 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 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 -3.25 0.00 0.08 -5.58 2.03 -1.26 -4.27 116.55 104.30 1dby n ASP 50 Ca 0.08 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.30 1dby n ASP 50 Cb 0.54 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.13 -4.24 -0.67 1.57 -1.90 -3.41 116.57 108.05 1dby h LYS 51 Ca 0.00 -0.18 -0.62 0.00 -1.87 0.00 0.00 60.65 57.98 1dby h LYS 51 Cb 0.00 0.06 -0.39 0.00 0.08 0.00 0.00 32.23 31.97 1dby h LYS 51 CO 0.00 1.00 -0.75 -1.17 -0.57 0.00 0.00 179.45 177.96 1dby s LEU 52 N -7.14 3.34 -0.88 2.94 2.96 -0.98 -2.85 118.68 116.07 1dby s LEU 52 Ca -0.02 -1.71 -0.25 0.00 -0.22 0.00 0.00 54.13 51.93 1dby s LEU 52 Cb 0.10 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.57 1dby s LEU 52 CO 0.83 -0.35 1.37 -0.75 -1.32 0.00 0.00 176.35 176.14 1dby s LYS 53 N 1.27 3.39 0.07 1.98 2.36 0.49 -4.53 119.74 124.76 1dby s LYS 53 Ca 0.06 -0.68 -0.30 0.00 -2.55 0.00 0.00 55.97 52.49 1dby s LYS 53 Cb -0.18 -4.79 -0.05 0.00 -1.05 0.00 0.00 37.83 31.76 1dby s LYS 53 CO -0.13 -2.19 1.03 0.00 1.55 0.00 0.00 175.35 175.61 1dby s VAL 55 N 0.54 0.00 -0.09 0.00 -7.23 0.11 -0.29 120.40 113.45 1dby s VAL 55 Ca 0.51 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1dby s VAL 55 Cb -0.24 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1dby s VAL 55 CO 0.30 0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.48 1dby s LYS 56 N -3.21 1.30 -0.26 4.82 1.02 0.58 -0.41 119.74 123.57 1dby s LYS 56 Ca 0.27 -0.19 -0.08 0.00 0.02 0.00 0.00 55.97 55.98 1dby s LYS 56 Cb -0.01 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 1dby s LYS 56 CO 0.16 -0.20 0.11 -1.17 -0.92 0.00 0.00 175.35 173.33 1dby s LEU 57 N 1.48 3.61 -0.48 3.17 1.98 0.38 -0.60 118.68 128.23 1dby s LEU 57 Ca -0.00 -0.14 -0.28 0.00 -2.89 0.00 0.00 54.13 50.81 1dby s LEU 57 Cb -0.13 -1.98 0.01 0.00 0.66 0.00 0.00 46.19 44.74 1dby s LEU 57 CO -0.05 -0.04 1.45 0.21 -1.89 0.00 0.00 176.35 176.04 1dby s ASN 58 N 1.64 6.18 0.31 3.68 3.84 -1.08 -0.90 114.94 128.61 1dby s ASN 58 Ca 0.07 0.61 0.05 0.00 0.21 0.00 0.00 52.86 53.80 1dby s ASN 58 Cb -0.15 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.51 1dby s ASN 58 CO 0.06 -1.60 1.77 0.74 -2.79 0.00 0.00 177.10 175.27 1dby h THR 59 N 6.47 1.25 -0.37 -5.21 2.02 -1.13 0.21 112.91 116.16 1dby h THR 59 Ca -0.27 -1.18 -0.15 0.00 0.77 0.00 0.00 66.41 65.58 1dby h THR 59 Cb 1.11 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1dby h THR 59 CO 1.13 0.37 -0.35 -0.78 0.37 0.00 0.00 175.52 176.26 1dby h ASP 60 N 0.35 0.91 1.06 4.18 1.82 -1.90 -1.68 116.42 121.16 1dby h ASP 60 Ca 0.06 -0.40 -0.18 0.00 -0.39 0.00 0.00 57.03 56.12 1dby h ASP 60 Cb 0.61 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1dby h ASP 60 CO 0.04 1.16 -0.98 -0.08 -1.61 0.00 0.00 179.24 177.78 1dby h GLU 61 N 0.72 0.00 -1.70 0.28 4.57 -1.88 -3.37 114.58 113.19 1dby h GLU 61 Ca 0.07 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.66 1dby h GLU 61 Cb 0.92 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.09 1dby h GLU 61 CO 0.08 0.68 -0.70 0.43 -1.18 0.00 0.00 179.01 178.33 1dby n SER 62 N -3.21 4.68 0.20 1.04 7.64 0.73 -4.60 113.62 120.10 1dby n SER 62 Ca -0.03 -3.71 0.03 0.00 1.01 0.00 0.00 58.87 56.17 1dby n SER 62 Cb 0.88 -0.49 0.41 0.00 -1.01 0.00 0.00 64.21 64.00 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 2.68 0.01 0.78 1.43 0.13 -1.48 -0.72 132.00 134.83 1dby h PRO 63 Ca 0.26 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.35 1dby h PRO 63 Cb 0.82 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.95 1dby h PRO 63 CO 0.85 0.30 -0.38 -0.91 -0.23 0.00 0.00 178.00 177.63 1dby h ASN 64 N 0.01 -0.92 -0.45 1.44 2.35 -1.88 0.22 115.58 116.36 1dby h ASN 64 Ca -0.00 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1dby h ASN 64 Cb 0.53 0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 1dby h ASN 64 CO 0.04 -0.65 0.15 0.58 -1.65 0.00 0.00 177.43 175.90 1dby h VAL 65 N -1.06 0.85 -0.62 2.81 2.07 -1.91 -0.18 116.25 118.21 1dby h VAL 65 Ca -0.11 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.43 1dby h VAL 65 Cb 0.82 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1dby h VAL 65 CO 0.17 0.06 0.07 0.00 0.02 0.00 0.00 177.57 177.89 1dby h ALA 66 N 1.30 0.68 -0.25 1.67 0.00 -0.97 -0.01 119.26 121.67 1dby h ALA 66 Ca 0.21 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1dby h ALA 66 Cb 0.21 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dby h ALA 66 CO -0.22 -0.36 0.02 0.77 0.00 0.00 0.00 179.25 179.46 1dby h SER 67 N 0.18 0.42 -0.58 0.00 0.02 0.47 0.23 113.55 114.29 1dby h SER 67 Ca 0.33 -0.29 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 1dby h SER 67 Cb 0.52 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 1dby h SER 67 CO -0.48 0.61 0.23 -0.33 -1.14 0.00 0.00 176.83 175.71 1dby h GLU 68 N 0.23 0.40 0.02 3.45 5.08 -0.15 -2.47 114.58 121.14 1dby h GLU 68 Ca 0.07 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 1dby h GLU 68 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1dby h GLU 68 CO 0.01 0.27 -1.02 1.88 -1.00 0.00 0.00 179.01 179.15 1dby h TYR 69 N 0.42 0.09 -0.25 4.33 0.05 -0.94 -3.48 116.97 117.18 1dby h TYR 69 Ca 0.29 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1dby h TYR 69 Cb 0.33 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1dby h TYR 69 CO -0.16 1.03 0.00 0.41 -1.05 0.00 0.00 178.16 178.39 1dby n GLY 70 N 1.31 0.83 3.56 3.88 0.00 0.57 -5.00 105.19 110.33 1dby n GLY 70 Ca -0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.92 3.63 -0.14 -0.61 -1.09 0.11 -4.76 121.20 116.42 1dby s ILE 71 Ca 0.00 -0.59 0.20 0.00 -2.23 0.00 0.00 60.65 58.03 1dby s ILE 71 Cb 0.00 -4.42 0.19 0.00 -1.58 0.00 0.00 42.46 36.65 1dby s ILE 71 CO 0.00 -1.30 1.61 -0.09 -1.23 0.00 0.00 174.94 173.93 1dby h ARG 72 N 10.57 0.00 -3.24 2.79 9.65 -1.95 -3.47 114.38 128.74 1dby h ARG 72 Ca 0.15 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.00 1dby h ARG 72 Cb 1.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.54 1dby h ARG 72 CO 1.29 0.28 0.14 -1.54 2.80 0.00 0.00 179.97 182.94 1dby s SER 73 N -6.29 0.04 0.04 -3.80 1.04 -1.26 -5.19 113.70 98.28 1dby s SER 73 Ca 0.04 -1.01 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 1dby s SER 73 Cb 0.08 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1dby s SER 73 CO 0.69 -1.47 0.19 0.27 0.98 0.00 0.00 173.24 173.90 1dby s ILE 74 N -3.10 0.11 0.19 -1.02 -4.36 -1.26 -4.44 121.20 107.32 1dby s ILE 74 Ca 0.17 -0.87 -0.30 0.00 -0.26 0.00 0.00 60.65 59.39 1dby s ILE 74 Cb -0.04 -0.88 -0.09 0.00 1.25 0.00 0.00 42.46 42.71 1dby s ILE 74 CO 0.11 -0.48 1.33 -2.16 0.24 0.00 0.00 174.94 173.98 1dby s PRO 75 N -2.47 4.37 -0.23 0.37 0.04 -1.26 -5.00 135.00 130.81 1dby s PRO 75 Ca -0.06 2.08 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 1dby s PRO 75 Cb -0.02 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.41 1dby s PRO 75 CO -0.03 -0.29 0.11 0.99 0.04 0.00 0.00 177.00 177.81 1dby s THR 76 N 0.22 -0.08 0.04 1.26 2.01 -1.20 -0.75 115.64 117.14 1dby s THR 76 Ca 0.58 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 1dby s THR 76 Cb -0.37 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1dby s THR 76 CO 0.38 -0.51 0.76 -0.63 -0.69 0.00 0.00 174.62 173.92 1dby s ILE 77 N 2.12 4.75 0.18 1.82 1.09 0.89 -0.73 121.20 131.32 1dby s ILE 77 Ca 0.06 1.60 0.11 0.00 -1.10 0.00 0.00 60.65 61.32 1dby s ILE 77 Cb -0.16 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1dby s ILE 77 CO -0.23 0.36 -0.22 -0.04 -0.10 0.00 0.00 174.94 174.71 1dby s MET 78 N -0.02 1.61 -0.08 2.79 -1.94 0.43 -0.38 119.30 121.71 1dby s MET 78 Ca 0.38 -1.43 0.05 0.00 -1.71 0.00 0.00 55.69 52.98 1dby s MET 78 Cb -0.20 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.70 1dby s MET 78 CO 0.22 0.42 -0.24 0.08 -0.01 0.00 0.00 175.02 175.49 1dby s VAL 79 N -1.54 2.10 0.01 -6.03 1.01 -0.56 -0.70 120.40 114.68 1dby s VAL 79 Ca 0.20 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1dby s VAL 79 Cb -0.09 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1dby s VAL 79 CO 0.10 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.26 1dby s PHE 80 N 0.04 1.32 -0.13 5.22 0.40 0.07 -0.65 117.98 124.26 1dby s PHE 80 Ca -0.10 -0.29 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1dby s PHE 80 Cb -0.15 -0.83 0.04 0.00 0.51 0.00 0.00 43.02 42.59 1dby s PHE 80 CO 0.06 0.00 0.31 -1.59 0.70 0.00 0.00 175.22 174.70 1dby s LYS 81 N -0.63 0.31 -1.30 0.44 0.00 0.23 -0.37 119.74 118.43 1dby s LYS 81 Ca 0.05 0.56 -0.07 0.00 0.00 0.00 0.00 55.97 56.50 1dby s LYS 81 Cb -0.06 0.01 0.01 0.00 0.00 0.00 0.00 37.83 37.79 1dby s LYS 81 CO 0.00 -0.12 1.13 0.41 0.00 0.00 0.00 175.35 176.77 1dby n GLY 82 N 3.74 -0.48 4.78 0.59 0.00 -1.26 -3.02 105.19 109.54 1dby n GLY 82 Ca -0.20 0.21 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 -1.83 1.18 3.85 -0.02 0.00 -1.26 -4.93 105.19 102.18 1dby n GLY 83 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1dby n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dby s LYS 84 N 0.00 3.73 0.39 1.61 -0.14 -1.17 -4.19 119.74 119.98 1dby s LYS 84 Ca 0.00 0.87 -0.08 0.00 -1.36 0.00 0.00 55.97 55.40 1dby s LYS 84 Cb 0.00 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 1dby s LYS 84 CO 0.00 -0.46 0.71 0.21 -0.76 0.00 0.00 175.35 175.05 1dby s LYS 85 N -4.62 3.68 0.00 1.68 2.36 -1.26 -0.60 119.74 120.97 1dby s LYS 85 Ca 0.57 0.27 0.00 0.00 -2.55 0.00 0.00 55.97 54.26 1dby s LYS 85 Cb -0.11 -2.46 0.00 0.00 -1.05 0.00 0.00 37.83 34.21 1dby s LYS 85 CO 0.43 -0.00 0.00 0.00 1.55 0.00 0.00 175.35 177.33 1dby s GLU 87 N 0.00 3.53 -0.19 0.00 0.41 -1.23 -4.85 118.70 116.36 1dby s GLU 87 Ca 0.00 1.26 -0.02 0.00 -0.41 0.00 0.00 54.97 55.80 1dby s GLU 87 Cb 0.00 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.35 1dby s GLU 87 CO 0.00 -0.64 0.01 0.99 -0.49 0.00 0.00 175.26 175.13 1dby s THR 88 N -2.27 0.70 -0.14 3.63 2.01 -1.26 -1.50 115.64 116.81 1dby s THR 88 Ca 0.65 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1dby s THR 88 Cb -0.16 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1dby s THR 88 CO 0.30 -0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.26 1dby s ILE 89 N 1.78 1.90 0.38 1.82 1.01 0.49 -5.00 121.20 123.58 1dby s ILE 89 Ca -0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 1dby s ILE 89 Cb -0.17 -1.70 -0.10 0.00 0.01 0.00 0.00 42.46 40.50 1dby s ILE 89 CO -0.07 0.52 0.97 -0.63 0.00 0.00 0.00 174.94 175.72 1dby s ILE 90 N 0.98 4.15 0.00 2.92 1.01 -1.26 -0.07 121.20 128.93 1dby s ILE 90 Ca -0.04 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1dby s ILE 90 Cb -0.15 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1dby s ILE 90 CO -0.04 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1dby n GLY 91 N 0.07 -0.02 4.80 6.18 0.00 0.08 -4.58 105.19 111.72 1dby n GLY 91 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -1.80 4.61 0.00 -1.26 -4.90 120.51 114.15 1dby n ALA 92 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1dby n ALA 92 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 4.12 0.72 0.00 -7.23 -1.26 -5.01 120.40 111.73 1dby s VAL 93 Ca 0.00 1.43 -0.16 0.00 -1.81 0.00 0.00 61.98 61.44 1dby s VAL 93 Cb 0.00 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.33 1dby s VAL 93 CO 0.00 -0.18 1.23 -2.84 -0.31 0.00 0.00 175.10 173.00 1dby s PRO 94 N -2.91 2.19 0.37 4.82 0.02 -1.26 -4.86 135.00 133.37 1dby s PRO 94 Ca 0.61 1.84 0.13 0.00 0.02 0.00 0.00 61.00 63.60 1dby s PRO 94 Cb -0.14 -1.83 0.96 0.00 0.02 0.00 0.00 34.50 33.51 1dby s PRO 94 CO 0.19 -1.82 1.79 0.87 -0.33 0.00 0.00 177.00 177.70 1dby h LYS 95 N -0.13 0.52 -0.94 5.54 1.79 -1.96 0.11 116.57 121.51 1dby h LYS 95 Ca -0.48 -0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.20 1dby h LYS 95 Cb 1.31 -0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 31.71 1dby h LYS 95 CO 0.50 0.35 0.46 0.00 -1.08 0.00 0.00 179.45 179.68 1dby h ALA 96 N 1.63 1.59 -0.24 3.86 0.00 -1.99 0.41 119.26 124.53 1dby h ALA 96 Ca 0.56 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 1dby h ALA 96 Cb 1.18 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1dby h ALA 96 CO -0.30 -0.36 0.11 1.15 0.00 0.00 0.00 179.25 179.85 1dby h THR 97 N 0.43 1.15 -0.78 0.00 2.02 -1.11 -1.69 112.91 112.93 1dby h THR 97 Ca 0.60 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 1dby h THR 97 Cb 1.19 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1dby h THR 97 CO -0.53 0.14 0.31 0.40 0.37 0.00 0.00 175.52 176.21 1dby h ILE 98 N 0.25 1.26 0.68 3.11 2.04 -0.76 -0.19 117.51 123.91 1dby h ILE 98 Ca 0.08 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1dby h ILE 98 Cb 0.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1dby h ILE 98 CO -0.01 0.33 -0.44 0.58 0.00 0.00 0.00 178.15 178.62 1dby h VAL 99 N 1.13 0.12 -0.57 1.67 2.07 -0.12 0.16 116.25 120.71 1dby h VAL 99 Ca 0.26 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.88 1dby h VAL 99 Cb 0.22 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.03 1dby h VAL 99 CO -0.02 0.00 0.15 1.56 0.02 0.00 0.00 177.57 179.28 1dby h GLN 100 N -1.06 0.29 0.20 1.57 7.50 -1.13 0.49 115.11 122.98 1dby h GLN 100 Ca -0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 1dby h GLN 100 Cb 0.86 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.33 1dby h GLN 100 CO 0.08 0.19 -0.10 1.15 -1.50 0.00 0.00 178.83 178.66 1dby h THR 101 N 0.30 0.81 -0.38 -0.54 2.02 -0.74 -2.71 112.91 111.68 1dby h THR 101 Ca 0.29 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 1dby h THR 101 Cb 0.40 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1dby h THR 101 CO -0.35 0.01 0.03 1.62 0.37 0.00 0.00 175.52 177.20 1dby h VAL 102 N -0.29 1.25 -1.00 3.16 3.04 -0.20 -2.87 116.25 119.34 1dby h VAL 102 Ca -0.03 -0.93 0.21 0.00 -1.01 0.00 0.00 66.70 64.94 1dby h VAL 102 Cb 0.22 1.12 -0.11 0.00 -2.01 0.00 0.00 31.29 30.51 1dby h VAL 102 CO 0.04 0.31 0.61 -0.33 -1.01 0.00 0.00 177.57 177.20 1dby h GLU 103 N 0.48 0.68 -0.03 4.17 5.08 -0.88 0.16 114.58 124.23 1dby h GLU 103 Ca 0.11 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1dby h GLU 103 Cb 0.42 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1dby h GLU 103 CO 0.01 0.45 0.03 1.57 -1.00 0.00 0.00 179.01 180.07 1dby h LYS 104 N 0.70 0.00 0.07 2.33 2.10 -1.24 -2.57 116.57 117.96 1dby h LYS 104 Ca 0.60 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.92 1dby h LYS 104 Cb 1.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.31 1dby h LYS 104 CO -0.40 0.00 -1.82 0.66 -2.00 0.00 0.00 179.45 175.89 1dby n TYR 105 N -4.42 1.03 0.00 0.07 4.01 0.31 -4.91 117.16 113.24 1dby n TYR 105 Ca -0.02 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1dby n TYR 105 Cb 0.12 -1.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.03 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 -3.83 0.00 0.00 7.72 4.77 0.15 -5.15 117.00 120.67 1dby n LEU 106 Ca -0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1dby n LEU 106 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1dby n LEU 106 CO 0.32 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.18