#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby h GLU 2 N 0.00 0.43 -6.29 3.17 5.08 -1.97 -3.40 114.58 111.60 1dby h GLU 2 Ca 0.00 -0.18 -0.55 0.00 -1.00 0.00 0.00 59.36 57.63 1dby h GLU 2 Cb 0.00 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1dby h GLU 2 CO 0.00 0.70 0.12 0.00 -1.00 0.00 0.00 179.01 178.83 1dby s ALA 3 N -4.65 3.41 1.02 3.43 0.00 -1.26 -4.79 121.76 118.91 1dby s ALA 3 Ca -0.14 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1dby s ALA 3 Cb 0.07 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.35 1dby s ALA 3 CO 0.76 0.13 0.47 0.41 0.00 0.00 0.00 175.76 177.53 1dby n GLY 4 N 2.25 -1.50 3.11 0.00 0.00 -0.02 -4.83 105.19 104.19 1dby n GLY 4 Ca -0.04 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1dby n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 5 N -3.81 1.21 0.20 4.61 0.00 -1.26 -0.49 121.76 122.22 1dby s ALA 5 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1dby s ALA 5 Cb -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1dby s ALA 5 CO 0.19 0.28 0.08 0.14 0.00 0.00 0.00 175.76 176.45 1dby s VAL 6 N -0.26 0.36 0.31 0.00 -7.23 0.17 -4.80 120.40 108.94 1dby s VAL 6 Ca 0.04 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1dby s VAL 6 Cb -0.06 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1dby s VAL 6 CO -0.00 -0.18 0.41 0.20 -0.31 0.00 0.00 175.10 175.21 1dby s ASN 7 N -3.20 0.72 0.16 4.85 -0.87 -1.26 -2.32 114.94 113.03 1dby s ASN 7 Ca 0.33 -1.41 -0.26 0.00 -1.57 0.00 0.00 52.86 49.95 1dby s ASN 7 Cb 0.07 0.60 -0.00 0.00 -0.02 0.00 0.00 41.25 41.90 1dby s ASN 7 CO 0.09 -1.18 1.43 -0.67 -2.57 0.00 0.00 177.10 174.20 1dby n ASP 8 N -1.09 -0.90 0.37 -1.22 -0.08 -1.26 -0.26 116.55 112.10 1dby n ASP 8 Ca 0.01 1.64 -0.17 0.00 -1.51 0.00 0.00 54.79 54.76 1dby n ASP 8 Cb 0.62 -0.25 -0.09 0.00 2.34 0.00 0.00 41.12 43.75 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 -0.78 -0.68 1.67 5.19 -2.01 -3.27 116.42 116.54 1dby h ASP 9 Ca 0.18 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 1dby h ASP 9 Cb 0.42 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 1dby h ASP 9 CO -0.88 -0.49 0.12 0.71 -3.12 0.00 0.00 179.24 175.57 1dby h THR 10 N -1.02 1.27 -0.96 0.35 1.35 -1.79 -3.08 112.91 109.02 1dby h THR 10 Ca -0.09 -1.04 0.25 0.00 -0.55 0.00 0.00 66.41 64.98 1dby h THR 10 Cb 0.73 0.61 -0.18 0.00 -1.73 0.00 0.00 68.15 67.58 1dby h THR 10 CO 0.15 0.39 -0.01 0.15 -0.25 0.00 0.00 175.52 175.95 1dby h PHE 11 N 1.06 -0.11 0.36 4.73 3.04 -0.68 0.16 116.94 125.49 1dby h PHE 11 Ca 0.21 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 1dby h PHE 11 Cb 0.44 0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 1dby h PHE 11 CO 0.03 -0.41 -0.36 0.87 -2.02 0.00 0.00 178.31 176.42 1dby h LYS 12 N 0.02 -0.69 -0.21 1.11 1.57 -1.63 0.43 116.57 117.17 1dby h LYS 12 Ca 0.56 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.35 1dby h LYS 12 Cb 1.10 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1dby h LYS 12 CO -0.91 -0.46 -0.04 -0.91 -0.57 0.00 0.00 179.45 176.57 1dby h ASN 13 N -0.72 0.29 0.00 0.86 -0.26 -1.28 0.52 115.58 114.98 1dby h ASN 13 Ca -0.05 -0.04 -0.16 0.00 -0.56 0.00 0.00 56.30 55.49 1dby h ASN 13 Cb 0.62 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 1dby h ASN 13 CO -0.05 0.37 -1.14 0.52 -1.06 0.00 0.00 177.43 176.07 1dby n VAL 14 N -4.33 1.49 -0.06 2.81 0.31 0.43 -4.20 118.33 114.78 1dby n VAL 14 Ca 0.00 0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1dby n VAL 14 Cb 0.22 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 30.93 1dby n VAL 14 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1dby h VAL 15 N -1.00 0.39 0.25 2.52 2.07 -0.27 -3.38 116.25 116.83 1dby h VAL 15 Ca -0.23 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1dby h VAL 15 Cb 1.03 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1dby h VAL 15 CO -0.14 0.13 -0.12 -0.07 0.02 0.00 0.00 177.57 177.39 1dby h LEU 16 N -1.00 -0.28 -3.90 2.57 3.38 -0.90 -3.27 115.31 111.91 1dby h LEU 16 Ca -0.03 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 1dby h LEU 16 Cb 0.43 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1dby h LEU 16 CO -0.02 0.18 -0.32 -0.62 0.09 0.00 0.00 178.44 177.75 1dby n GLU 17 N -5.03 1.82 -3.03 1.13 1.02 0.13 -1.75 120.64 114.92 1dby n GLU 17 Ca -0.08 -0.85 -0.27 0.00 -0.02 0.00 0.00 57.16 55.94 1dby n GLU 17 Cb 0.26 -1.86 -0.01 0.00 -0.02 0.00 0.00 31.44 29.81 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 2.02 6.33 0.00 1.62 1.04 -1.23 -4.76 113.70 118.72 1dby s SER 18 Ca 0.57 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1dby s SER 18 Cb 0.27 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1dby s SER 18 CO 0.00 -0.40 0.00 -1.54 0.98 0.00 0.00 173.24 172.28 1dby n SER 19 N -1.77 0.00 -4.87 7.02 3.41 -1.26 -4.61 113.62 111.54 1dby n SER 19 Ca -0.01 0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 58.46 1dby n SER 19 Cb 0.55 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.79 4.46 1.07 -3.33 -7.23 -1.26 -4.76 120.40 108.56 1dby s VAL 20 Ca 0.00 0.80 -0.15 0.00 -1.81 0.00 0.00 61.98 60.82 1dby s VAL 20 Cb 0.00 -3.76 0.12 0.00 0.56 0.00 0.00 36.38 33.30 1dby s VAL 20 CO 0.00 -1.05 0.39 -2.65 -0.31 0.00 0.00 175.10 171.48 1dby n PRO 21 N -2.83 -1.32 -3.99 4.82 -0.02 -1.24 -4.67 135.00 125.74 1dby n PRO 21 Ca 0.06 -0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.07 1dby n PRO 21 Cb 0.54 -1.88 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.34 0.20 -0.29 -1.45 1.01 0.29 -0.20 120.40 117.62 1dby s VAL 22 Ca 0.59 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1dby s VAL 22 Cb -0.18 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.03 1dby s VAL 22 CO 0.66 -0.21 -0.02 -0.22 0.00 0.00 0.00 175.10 175.30 1dby s LEU 23 N -0.78 3.59 0.08 3.92 0.20 0.31 -0.31 118.68 125.70 1dby s LEU 23 Ca -0.07 -1.63 0.01 0.00 0.69 0.00 0.00 54.13 53.14 1dby s LEU 23 Cb -0.05 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 1dby s LEU 23 CO -0.00 -0.28 0.19 0.68 -0.29 0.00 0.00 176.35 176.65 1dby s VAL 24 N 1.14 5.18 -0.21 1.68 -7.23 0.35 -2.89 120.40 118.44 1dby s VAL 24 Ca 0.00 -0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.62 1dby s VAL 24 Cb -0.19 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1dby s VAL 24 CO -0.08 0.09 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.08 1dby s ASP 25 N -2.61 3.85 -0.45 4.85 2.15 0.03 -0.61 116.67 123.89 1dby s ASP 25 Ca 0.34 -0.50 -0.28 0.00 0.43 0.00 0.00 52.55 52.53 1dby s ASP 25 Cb -0.12 -1.64 0.03 0.00 -0.30 0.00 0.00 42.92 40.88 1dby s ASP 25 CO 0.27 -0.01 1.09 -0.36 -0.17 0.00 0.00 175.17 175.99 1dby s PHE 26 N 1.40 2.89 0.14 -5.34 0.40 0.25 -0.57 117.98 117.16 1dby s PHE 26 Ca 0.05 0.76 0.01 0.00 -0.60 0.00 0.00 56.93 57.15 1dby s PHE 26 Cb -0.14 -4.23 -0.00 0.00 0.51 0.00 0.00 43.02 39.16 1dby s PHE 26 CO -0.07 -1.15 0.04 -2.67 0.70 0.00 0.00 175.22 172.07 1dby n TRP 27 N 7.56 0.10 -3.51 0.36 4.27 -0.09 -2.86 117.44 123.28 1dby n TRP 27 Ca 0.11 -0.88 -0.12 0.00 -3.89 0.00 0.00 57.50 52.72 1dby n TRP 27 Cb 0.49 -0.02 -0.04 0.00 -1.36 0.00 0.00 31.31 30.38 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 -2.36 -1.80 0.20 -1.67 0.00 -1.26 -0.18 121.76 114.68 1dby s ALA 28 Ca 0.06 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1dby s ALA 28 Cb 0.00 0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.35 1dby s ALA 28 CO 0.04 -0.52 1.86 -1.00 0.00 0.00 0.00 175.76 176.14 1dby h PRO 29 N 2.40 0.85 0.00 0.00 0.13 -2.00 0.19 132.00 133.58 1dby h PRO 29 Ca -0.24 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1dby h PRO 29 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1dby h PRO 29 CO 0.34 0.56 0.00 -2.67 -0.23 0.00 0.00 178.00 176.01 1dby n TRP 30 N -4.64 0.55 -2.39 1.56 4.27 -1.26 -4.50 117.44 111.03 1dby n TRP 30 Ca 0.06 0.21 -0.37 0.00 -3.89 0.00 0.00 57.50 53.51 1dby n TRP 30 Cb 0.04 -0.84 -0.02 0.00 -1.36 0.00 0.00 31.31 29.13 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 14.49 -0.28 1.56 0.00 0.00 -1.83 0.25 103.07 117.27 1dby h GLY 32 Ca 0.35 0.57 0.06 0.00 0.00 0.00 0.00 47.33 48.31 1dby h GLY 32 CO 1.37 -0.15 0.17 -2.55 0.00 0.00 0.00 176.54 175.38 1dby h PRO 33 N -0.10 0.00 0.18 4.80 0.11 -1.92 -0.56 132.00 134.51 1dby h PRO 33 Ca 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1dby h PRO 33 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1dby h PRO 33 CO -0.84 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 176.86 1dby h ARG 35 N -0.97 0.08 0.00 0.00 2.47 -0.31 0.22 114.38 115.88 1dby h ARG 35 Ca -0.02 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1dby h ARG 35 Cb 0.45 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1dby h ARG 35 CO 0.04 0.05 -0.10 -0.84 0.56 0.00 0.00 179.97 179.68 1dby h ILE 36 N 0.09 0.27 0.00 2.04 -0.00 -1.26 -2.88 117.51 115.76 1dby h ILE 36 Ca 0.32 -0.77 -0.19 0.00 -0.00 0.00 0.00 64.86 64.23 1dby h ILE 36 Cb 0.53 1.61 -0.03 0.00 -0.00 0.00 0.00 36.82 38.92 1dby h ILE 36 CO -0.57 0.10 -1.42 0.40 -0.00 0.00 0.00 178.15 176.66 1dby h ILE 37 N 0.00 0.59 -1.00 0.16 1.08 -0.90 -3.40 117.51 114.05 1dby h ILE 37 Ca -0.00 -2.15 0.23 0.00 -0.39 0.00 0.00 64.86 62.55 1dby h ILE 37 Cb 0.60 2.13 -0.19 0.00 -3.07 0.00 0.00 36.82 36.29 1dby h ILE 37 CO 0.01 0.34 -0.14 0.00 -0.69 0.00 0.00 178.15 177.67 1dby n ALA 38 N -2.42 0.35 -0.17 1.87 0.00 0.55 0.43 120.51 121.12 1dby n ALA 38 Ca -0.10 1.08 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1dby n ALA 38 Cb 0.88 -0.71 0.26 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.25 0.00 0.11 -1.77 0.13 132.00 131.11 1dby h PRO 39 Ca 0.53 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.50 1dby h PRO 39 Cb 0.95 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1dby h PRO 39 CO -0.99 0.63 -0.09 0.28 -0.21 0.00 0.00 178.00 177.62 1dby h VAL 40 N 0.91 1.29 -0.09 3.15 2.07 -0.29 0.83 116.25 124.12 1dby h VAL 40 Ca 0.24 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.66 1dby h VAL 40 Cb -0.04 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1dby h VAL 40 CO -0.05 0.36 -0.23 0.58 0.02 0.00 0.00 177.57 178.25 1dby h VAL 41 N 0.24 0.45 0.21 2.57 2.07 0.01 0.67 116.25 122.47 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 0.58 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1dby h VAL 41 CO 0.03 0.00 -0.19 0.44 0.02 0.00 0.00 177.57 177.87 1dby h ASP 42 N -0.31 -0.51 -0.74 0.57 3.32 -0.88 0.60 116.42 118.46 1dby h ASP 42 Ca 0.09 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1dby h ASP 42 Cb 0.44 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1dby h ASP 42 CO -0.27 -0.29 0.26 1.05 -1.72 0.00 0.00 179.24 178.27 1dby h GLU 43 N -0.43 1.13 -0.39 3.56 4.11 -0.63 -0.14 114.58 121.79 1dby h GLU 43 Ca -0.00 -0.23 0.02 0.00 0.07 0.00 0.00 59.36 59.23 1dby h GLU 43 Cb 0.40 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1dby h GLU 43 CO -0.04 0.95 0.20 0.82 0.07 0.00 0.00 179.01 181.01 1dby h ILE 44 N 1.08 1.00 -0.56 -1.06 2.04 -0.68 0.41 117.51 119.75 1dby h ILE 44 Ca 0.24 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 66.06 1dby h ILE 44 Cb 0.26 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1dby h ILE 44 CO -0.01 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.35 1dby h ALA 45 N 1.19 0.66 -0.16 1.87 0.00 -0.08 0.41 119.26 123.15 1dby h ALA 45 Ca 0.16 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1dby h ALA 45 Cb 0.05 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1dby h ALA 45 CO -0.10 -0.28 -0.13 0.78 0.00 0.00 0.00 179.25 179.52 1dby h GLY 46 N 0.28 -0.02 0.91 0.00 0.00 0.15 0.74 103.07 105.14 1dby h GLY 46 Ca 0.28 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 1dby h GLY 46 CO -0.35 -0.14 0.04 0.83 0.00 0.00 0.00 176.54 176.92 1dby h GLU 47 N -0.14 0.10 -0.74 4.80 5.08 0.08 -3.25 114.58 120.51 1dby h GLU 47 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dby h GLU 47 Cb 0.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1dby h GLU 47 CO -0.25 0.16 0.00 0.66 -1.00 0.00 0.00 179.01 178.58 1dby n TYR 48 N -4.99 1.04 -0.37 4.33 4.02 0.03 -4.74 117.16 116.49 1dby n TYR 48 Ca -0.06 -0.51 -0.05 0.00 -0.01 0.00 0.00 57.90 57.27 1dby n TYR 48 Cb 0.08 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 1dby n TYR 48 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1dby n LYS 49 N 1.63 -0.31 -0.33 -0.72 4.81 0.25 -1.06 118.16 122.43 1dby n LYS 49 Ca 0.25 1.40 0.18 0.00 -0.87 0.00 0.00 58.31 59.28 1dby n LYS 49 Cb 0.65 -2.08 0.36 0.00 0.02 0.00 0.00 35.03 33.99 1dby n LYS 49 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1dby h ASP 50 N 0.00 -0.27 -0.00 3.14 5.19 -1.86 -0.05 116.42 122.58 1dby h ASP 50 Ca 0.24 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1dby h ASP 50 Cb 0.47 0.42 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1dby h ASP 50 CO -0.89 -0.36 -0.86 0.29 -3.12 0.00 0.00 179.24 174.30 1dby n LYS 51 N -5.42 0.87 -3.48 3.56 5.02 -0.22 -4.96 118.16 113.53 1dby n LYS 51 Ca 0.26 -0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1dby n LYS 51 Cb 0.88 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 34.42 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 -2.86 -0.60 0.66 -0.35 2.96 -0.03 -3.72 118.68 114.74 1dby s LEU 52 Ca 0.07 0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 1dby s LEU 52 Cb 0.14 1.14 -0.02 0.00 0.50 0.00 0.00 46.19 47.96 1dby s LEU 52 CO 0.75 -0.27 1.05 -0.54 -1.32 0.00 0.00 176.35 176.02 1dby s LYS 53 N 2.55 3.27 -0.01 1.98 -0.14 0.72 -3.95 119.74 124.16 1dby s LYS 53 Ca 0.07 0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 55.40 1dby s LYS 53 Cb -0.14 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 1dby s LYS 53 CO -0.14 -0.81 0.06 0.00 -0.76 0.00 0.00 175.35 173.70 1dby s VAL 55 N -0.37 0.05 -0.19 0.00 1.01 -1.14 -0.84 120.40 118.92 1dby s VAL 55 Ca -0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1dby s VAL 55 Cb -0.03 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 35.01 1dby s VAL 55 CO 0.00 -0.23 -0.02 -0.54 0.00 0.00 0.00 175.10 174.32 1dby s LYS 56 N -3.85 1.19 -0.31 2.72 1.02 0.36 -0.79 119.74 120.10 1dby s LYS 56 Ca 0.07 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.23 1dby s LYS 56 Cb 0.01 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1dby s LYS 56 CO -0.07 -0.55 0.70 -1.17 -0.92 0.00 0.00 175.35 173.33 1dby s LEU 57 N 1.65 4.12 -0.65 3.17 1.98 0.26 -0.65 118.68 128.57 1dby s LEU 57 Ca -0.02 0.52 -0.27 0.00 -2.89 0.00 0.00 54.13 51.47 1dby s LEU 57 Cb -0.17 -2.92 0.00 0.00 0.66 0.00 0.00 46.19 43.76 1dby s LEU 57 CO -0.07 -0.54 1.58 0.21 -1.89 0.00 0.00 176.35 175.64 1dby s ASN 58 N 1.63 5.73 0.26 3.68 3.84 -0.98 -0.91 114.94 128.20 1dby s ASN 58 Ca 0.28 0.06 -0.04 0.00 0.21 0.00 0.00 52.86 53.38 1dby s ASN 58 Cb -0.15 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.36 1dby s ASN 58 CO 0.12 -2.07 1.92 0.74 -2.79 0.00 0.00 177.10 175.02 1dby h THR 59 N 6.50 1.18 -0.28 -5.21 2.02 -0.82 0.45 112.91 116.75 1dby h THR 59 Ca -0.27 -0.43 -0.15 0.00 0.77 0.00 0.00 66.41 66.33 1dby h THR 59 Cb 1.11 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1dby h THR 59 CO 1.23 0.23 -0.44 -0.78 0.37 0.00 0.00 175.52 176.13 1dby h ASP 60 N 1.26 0.77 0.76 4.18 1.82 -1.89 0.58 116.42 123.90 1dby h ASP 60 Ca 0.39 -0.37 -0.23 0.00 -0.39 0.00 0.00 57.03 56.43 1dby h ASP 60 Cb -0.02 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.73 1dby h ASP 60 CO -0.11 1.10 -1.35 -0.08 -1.61 0.00 0.00 179.24 177.19 1dby h GLU 61 N 0.57 0.00 -1.82 0.28 4.57 -1.88 -3.38 114.58 112.92 1dby h GLU 61 Ca 0.04 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.66 1dby h GLU 61 Cb 1.00 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.17 1dby h GLU 61 CO 0.09 0.60 -0.77 0.45 -1.18 0.00 0.00 179.01 178.20 1dby n SER 62 N -3.12 4.01 -0.37 1.04 2.88 0.15 -4.86 113.62 113.36 1dby n SER 62 Ca -0.09 -3.56 -0.02 0.00 -1.33 0.00 0.00 58.87 53.87 1dby n SER 62 Cb 0.96 -0.52 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dby h PRO 63 N 2.81 1.28 0.00 -1.46 0.13 -1.08 -3.27 132.00 130.42 1dby h PRO 63 Ca 0.18 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1dby h PRO 63 Cb 0.78 -0.29 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1dby h PRO 63 CO 0.78 0.85 0.00 0.09 -0.23 0.00 0.00 178.00 179.49 1dby n ASN 64 N -4.41 0.00 -0.10 1.44 4.13 -1.26 0.70 115.26 115.75 1dby n ASN 64 Ca 0.12 0.34 -0.05 0.00 1.68 0.00 0.00 54.58 56.67 1dby n ASN 64 Cb 0.03 -0.11 0.01 0.00 -1.54 0.00 0.00 39.78 38.17 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 0.68 0.00 2.41 2.07 -1.97 0.54 116.25 119.98 1dby h VAL 65 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1dby h VAL 65 Cb 0.00 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1dby h VAL 65 CO 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 177.57 177.57 1dby h ALA 66 N 1.34 1.74 0.20 1.67 0.00 -1.13 0.38 119.26 123.46 1dby h ALA 66 Ca 0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.79 1dby h ALA 66 Cb 0.26 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.07 1dby h ALA 66 CO -0.34 0.04 -1.20 0.77 0.00 0.00 0.00 179.25 178.52 1dby h SER 67 N 0.00 0.67 -0.89 0.00 0.02 0.20 0.45 113.55 114.00 1dby h SER 67 Ca -0.00 -0.93 0.06 0.00 -0.84 0.00 0.00 61.79 60.08 1dby h SER 67 Cb 0.06 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 1dby h SER 67 CO 0.00 1.57 0.56 -0.33 -1.14 0.00 0.00 176.83 177.50 1dby h GLU 68 N -0.09 0.98 0.00 3.45 5.08 -0.37 -1.68 114.58 121.95 1dby h GLU 68 Ca -0.21 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 57.89 1dby h GLU 68 Cb 1.93 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 1dby h GLU 68 CO 0.22 0.65 -0.94 1.88 -1.00 0.00 0.00 179.01 179.82 1dby h TYR 69 N 1.01 0.01 -2.21 4.33 0.05 -0.96 -3.49 116.97 115.71 1dby h TYR 69 Ca 0.39 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.13 1dby h TYR 69 Cb 0.17 -0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.92 1dby h TYR 69 CO -0.03 0.94 -0.06 0.41 -1.05 0.00 0.00 178.16 178.37 1dby n GLY 70 N 1.16 0.41 2.54 3.88 0.00 0.13 -5.04 105.19 108.27 1dby n GLY 70 Ca -0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.34 -0.22 0.08 -0.61 -5.35 0.19 -4.95 119.36 107.17 1dby n ILE 71 Ca -0.02 -3.95 -0.09 0.00 -0.27 0.00 0.00 62.75 58.42 1dby n ILE 71 Cb 0.51 -1.84 -0.08 0.00 -1.74 0.00 0.00 39.64 36.49 1dby n ILE 71 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 1dby h ARG 72 N 5.44 0.10 -6.98 6.28 -0.00 -1.97 -3.45 114.38 113.80 1dby h ARG 72 Ca 0.22 -0.15 -0.51 0.00 -0.00 0.00 0.00 59.98 59.54 1dby h ARG 72 Cb 0.85 0.05 0.07 0.00 -0.00 0.00 0.00 29.97 30.94 1dby h ARG 72 CO 0.49 1.02 0.52 -1.12 -0.00 0.00 0.00 179.97 180.88 1dby s SER 73 N -6.86 6.20 0.04 0.08 0.01 -1.26 -5.05 113.70 106.85 1dby s SER 73 Ca -0.01 2.40 -0.11 0.00 1.31 0.00 0.00 55.95 59.54 1dby s SER 73 Cb 0.10 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1dby s SER 73 CO 0.83 -0.91 0.24 0.27 0.41 0.00 0.00 173.24 174.09 1dby s ILE 74 N -1.45 0.10 0.31 1.44 -4.36 -1.26 -4.32 121.20 111.66 1dby s ILE 74 Ca 0.62 -0.79 -0.29 0.00 -0.26 0.00 0.00 60.65 59.93 1dby s ILE 74 Cb -0.31 -0.90 -0.10 0.00 1.25 0.00 0.00 42.46 42.40 1dby s ILE 74 CO 0.39 -0.43 1.22 -2.16 0.24 0.00 0.00 174.94 174.20 1dby s PRO 75 N -2.48 4.46 -0.24 0.37 0.04 -1.26 -4.85 135.00 131.04 1dby s PRO 75 Ca -0.06 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 1dby s PRO 75 Cb -0.01 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 31.49 1dby s PRO 75 CO -0.03 -0.03 0.02 0.99 0.04 0.00 0.00 177.00 177.98 1dby s THR 76 N -1.15 1.05 0.05 1.26 2.01 -1.13 -0.70 115.64 117.01 1dby s THR 76 Ca 0.47 -1.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 1dby s THR 76 Cb -0.37 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.55 1dby s THR 76 CO 0.48 -0.30 0.59 -0.63 -0.69 0.00 0.00 174.62 174.08 1dby s ILE 77 N 1.59 4.79 -0.03 1.82 1.01 0.78 -0.59 121.20 130.57 1dby s ILE 77 Ca 0.00 1.26 0.03 0.00 0.00 0.00 0.00 60.65 61.94 1dby s ILE 77 Cb -0.18 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1dby s ILE 77 CO -0.11 0.49 -0.10 -0.04 0.00 0.00 0.00 174.94 175.18 1dby s MET 78 N -0.72 1.05 -0.09 2.79 -1.94 0.22 -0.50 119.30 120.12 1dby s MET 78 Ca 0.30 -0.33 -0.05 0.00 -1.71 0.00 0.00 55.69 53.90 1dby s MET 78 Cb -0.19 -0.97 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 1dby s MET 78 CO 0.19 0.12 0.11 0.08 -0.01 0.00 0.00 175.02 175.50 1dby s VAL 79 N 0.20 5.14 0.14 -6.03 1.01 0.01 -0.50 120.40 120.38 1dby s VAL 79 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1dby s VAL 79 Cb -0.09 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1dby s VAL 79 CO 0.01 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.16 1dby s PHE 80 N -1.04 1.55 -0.36 5.22 0.40 0.58 -0.36 117.98 123.96 1dby s PHE 80 Ca 0.17 -0.54 0.14 0.00 -0.60 0.00 0.00 56.93 56.09 1dby s PHE 80 Cb -0.12 -0.79 0.39 0.00 0.51 0.00 0.00 43.02 43.01 1dby s PHE 80 CO 0.06 0.21 0.82 0.36 0.70 0.00 0.00 175.22 177.37 1dby n LYS 81 N 0.36 1.14 0.00 0.44 0.00 -0.96 -0.55 118.16 118.59 1dby n LYS 81 Ca -0.14 -3.40 0.00 0.00 -0.00 0.00 0.00 58.31 54.77 1dby n LYS 81 Cb 0.57 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 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 0.13 -0.35 1.35 2.58 0.00 -1.26 -4.65 105.19 103.00 1dby n GLY 82 Ca 0.20 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 1.91 3.28 -0.02 0.00 -0.72 -4.61 105.19 105.04 1dby n GLY 83 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.30 0.87 0.17 1.61 -0.14 -1.26 -5.03 119.74 116.26 1dby s LYS 84 Ca 0.00 -0.48 -0.14 0.00 -1.36 0.00 0.00 55.97 53.99 1dby s LYS 84 Cb 0.00 0.38 -0.07 0.00 -1.68 0.00 0.00 37.83 36.46 1dby s LYS 84 CO 0.00 -0.29 0.57 0.21 -0.76 0.00 0.00 175.35 175.08 1dby s LYS 85 N -2.63 3.98 -0.05 1.68 2.20 -1.26 -2.27 119.74 121.38 1dby s LYS 85 Ca -0.04 0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 56.00 1dby s LYS 85 Cb -0.01 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1dby s LYS 85 CO -0.04 0.44 -0.14 0.00 -0.36 0.00 0.00 175.35 175.25 1dby s GLU 87 N -2.29 1.48 -0.21 0.00 0.41 -1.18 -4.99 118.70 111.93 1dby s GLU 87 Ca -0.13 -1.82 -0.21 0.00 -0.41 0.00 0.00 54.97 52.41 1dby s GLU 87 Cb 0.03 -0.34 0.06 0.00 -1.78 0.00 0.00 34.13 32.10 1dby s GLU 87 CO 0.17 -0.30 0.58 0.99 -0.49 0.00 0.00 175.26 176.21 1dby s THR 88 N -3.66 0.00 0.06 3.63 2.01 -1.26 -0.81 115.64 115.61 1dby s THR 88 Ca 0.37 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1dby s THR 88 Cb 0.07 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1dby s THR 88 CO 0.14 -0.01 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.37 1dby s ILE 89 N 0.21 0.52 0.02 1.82 -1.09 0.34 -4.99 121.20 118.03 1dby s ILE 89 Ca -0.01 -1.34 0.03 0.00 -2.23 0.00 0.00 60.65 57.10 1dby s ILE 89 Cb -0.04 -0.92 -0.01 0.00 -1.58 0.00 0.00 42.46 39.90 1dby s ILE 89 CO 0.01 -0.57 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.43 1dby s ILE 90 N -2.16 0.72 0.00 2.92 1.01 -1.26 -0.16 121.20 122.27 1dby s ILE 90 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1dby s ILE 90 Cb -0.05 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1dby s ILE 90 CO -0.02 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1dby n GLY 91 N 2.27 0.92 3.16 6.18 0.00 0.12 -4.79 105.19 113.06 1dby n GLY 91 Ca -0.17 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 1.14 3.49 -1.80 4.61 0.00 -1.26 -4.85 120.51 121.84 1dby n ALA 92 Ca 0.00 -3.42 -0.35 0.00 0.00 0.00 0.00 53.44 49.67 1dby n ALA 92 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 19.45 15.80 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 5.72 4.17 0.88 0.00 -7.23 -1.26 -5.02 120.40 117.65 1dby s VAL 93 Ca 0.57 1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 62.20 1dby s VAL 93 Cb 0.11 -3.77 0.08 0.00 0.56 0.00 0.00 36.38 33.35 1dby s VAL 93 CO 0.08 -0.07 0.87 -2.65 -0.31 0.00 0.00 175.10 173.01 1dby n PRO 94 N -0.07 -0.15 -0.21 4.82 -0.02 -1.26 -4.67 135.00 133.44 1dby n PRO 94 Ca 0.05 0.02 -0.02 0.00 -2.02 0.00 0.00 63.50 61.52 1dby n PRO 94 Cb 0.52 -2.17 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1dby n PRO 94 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1dby h LYS 95 N -1.36 -0.07 -0.56 -0.52 3.64 -1.99 -0.63 116.57 115.09 1dby h LYS 95 Ca -0.44 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.06 1dby h LYS 95 Cb 1.29 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 1dby h LYS 95 CO 0.40 -0.05 -0.09 0.00 -2.27 0.00 0.00 179.45 177.45 1dby h ALA 96 N 1.37 0.43 -0.02 5.00 0.00 -1.99 0.20 119.26 124.25 1dby h ALA 96 Ca 0.28 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dby h ALA 96 Cb 0.51 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1dby h ALA 96 CO -0.66 -0.42 0.01 1.15 0.00 0.00 0.00 179.25 179.32 1dby h THR 97 N 0.04 1.13 0.02 0.00 2.02 -1.50 -1.46 112.91 113.15 1dby h THR 97 Ca 0.28 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1dby h THR 97 Cb 0.43 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1dby h THR 97 CO -0.54 0.10 -0.27 0.40 0.37 0.00 0.00 175.52 175.58 1dby h ILE 98 N -0.12 0.39 0.09 3.11 2.04 -0.12 0.82 117.51 123.73 1dby h ILE 98 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1dby h ILE 98 Cb 0.16 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1dby h ILE 98 CO -0.00 0.00 -0.39 0.58 0.00 0.00 0.00 178.15 178.34 1dby h VAL 99 N -0.43 0.21 -0.43 1.67 2.07 -0.63 0.11 116.25 118.82 1dby h VAL 99 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1dby h VAL 99 Cb 0.50 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1dby h VAL 99 CO -0.22 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.04 1dby h GLN 100 N -0.60 0.26 -0.60 1.57 4.20 -1.03 0.23 115.11 119.13 1dby h GLN 100 Ca 0.03 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1dby h GLN 100 Cb 0.64 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1dby h GLN 100 CO -0.25 0.17 0.32 1.15 -0.67 0.00 0.00 178.83 179.56 1dby h THR 101 N 0.26 0.96 0.58 -0.54 2.02 -0.27 -0.09 112.91 115.84 1dby h THR 101 Ca 0.21 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1dby h THR 101 Cb 0.23 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1dby h THR 101 CO -0.24 0.11 -0.28 0.58 0.37 0.00 0.00 175.52 176.06 1dby h VAL 102 N 0.61 0.40 -0.66 3.16 2.07 -0.08 -3.20 116.25 118.55 1dby h VAL 102 Ca 0.27 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.76 1dby h VAL 102 Cb 0.16 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 1dby h VAL 102 CO -0.17 0.02 0.23 -0.33 0.02 0.00 0.00 177.57 177.34 1dby h GLU 103 N -0.87 0.37 -0.07 1.57 5.08 -0.59 0.53 114.58 120.60 1dby h GLU 103 Ca -0.08 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1dby h GLU 103 Cb 0.63 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1dby h GLU 103 CO 0.13 0.25 0.03 1.57 -1.00 0.00 0.00 179.01 179.99 1dby h LYS 104 N 0.38 0.10 0.05 2.33 2.10 -1.06 -2.83 116.57 117.64 1dby h LYS 104 Ca 0.35 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.90 1dby h LYS 104 Cb 0.48 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1dby h LYS 104 CO -0.36 0.08 -0.41 1.88 -2.00 0.00 0.00 179.45 178.63 1dby h TYR 105 N 0.10 0.19 0.00 0.07 0.05 -0.98 -3.47 116.97 112.92 1dby h TYR 105 Ca 0.03 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1dby h TYR 105 Cb 0.01 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1dby h TYR 105 CO 0.00 1.16 0.00 1.28 -1.05 0.00 0.00 178.16 179.55 1dby n LEU 106 N -4.42 0.00 0.00 3.88 4.77 -0.06 -5.14 117.00 116.04 1dby n LEU 106 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1dby n LEU 106 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1dby n LEU 106 CO 0.38 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24