#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 1.86 -0.06 2.12 -1.05 -1.25 -3.82 118.70 116.50 1dby s GLU 2 Ca 0.00 -1.19 -0.04 0.00 -0.15 0.00 0.00 54.97 53.59 1dby s GLU 2 Cb 0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1dby s GLU 2 CO 0.00 -0.87 0.15 0.00 0.95 0.00 0.00 175.26 175.49 1dby s ALA 3 N -2.33 3.85 0.40 -0.84 0.00 -1.26 -0.42 121.76 121.16 1dby s ALA 3 Ca 0.18 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1dby s ALA 3 Cb -0.04 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1dby s ALA 3 CO 0.09 0.68 0.13 0.20 0.00 0.00 0.00 175.76 176.86 1dby s GLY 4 N -1.50 2.57 0.00 0.00 0.00 0.55 -4.95 107.32 104.00 1dby s GLY 4 Ca 0.21 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1dby s GLY 4 CO 0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 173.10 171.27 1dby s ALA 5 N -3.23 1.05 0.23 3.20 0.00 -1.26 -1.81 121.76 119.94 1dby s ALA 5 Ca 0.25 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1dby s ALA 5 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1dby s ALA 5 CO 0.15 0.24 0.22 0.14 0.00 0.00 0.00 175.76 176.50 1dby s VAL 6 N -0.46 0.00 0.22 0.00 -7.23 0.03 -4.85 120.40 108.11 1dby s VAL 6 Ca 0.04 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 1dby s VAL 6 Cb -0.06 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1dby s VAL 6 CO 0.00 0.00 0.34 0.21 -0.31 0.00 0.00 175.10 175.34 1dby s ASN 7 N -3.17 0.00 0.25 4.85 3.84 -1.26 -1.97 114.94 117.48 1dby s ASN 7 Ca 0.36 -1.08 -0.08 0.00 0.21 0.00 0.00 52.86 52.27 1dby s ASN 7 Cb 0.05 0.50 0.40 0.00 -0.55 0.00 0.00 41.25 41.66 1dby s ASN 7 CO 0.14 -1.02 1.44 -0.67 -2.79 0.00 0.00 177.10 174.20 1dby n ASP 8 N -0.33 -0.36 0.00 -4.21 2.03 -1.26 -0.22 116.55 112.20 1dby n ASP 8 Ca -0.01 1.59 0.00 0.00 0.52 0.00 0.00 54.79 56.89 1dby n ASP 8 Cb 0.63 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -5.49 0.00 -0.32 1.67 2.03 -1.26 -3.42 116.55 109.76 1dby n ASP 9 Ca 0.14 1.00 0.11 0.00 0.52 0.00 0.00 54.79 56.56 1dby n ASP 9 Cb 0.45 -0.50 0.33 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.81 -0.90 5.18 1.35 -1.76 -2.63 112.91 114.97 1dby h THR 10 Ca 0.00 -0.27 0.23 0.00 -0.55 0.00 0.00 66.41 65.82 1dby h THR 10 Cb 0.00 -0.05 -0.16 0.00 -1.73 0.00 0.00 68.15 66.21 1dby h THR 10 CO 0.00 0.14 0.04 0.15 -0.25 0.00 0.00 175.52 175.60 1dby h PHE 11 N 0.79 -0.01 0.10 4.73 3.57 -0.62 0.17 116.94 125.67 1dby h PHE 11 Ca 0.50 0.06 0.02 0.00 3.53 0.00 0.00 57.97 62.09 1dby h PHE 11 Cb 0.74 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1dby h PHE 11 CO -0.00 -0.34 -0.31 0.87 -2.23 0.00 0.00 178.31 176.29 1dby h LYS 12 N 0.07 -0.51 0.24 1.11 1.79 -1.54 0.34 116.57 118.08 1dby h LYS 12 Ca 0.53 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 59.02 1dby h LYS 12 Cb 1.03 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1dby h LYS 12 CO -0.81 -0.34 -0.12 -0.91 -1.08 0.00 0.00 179.45 176.20 1dby h ASN 13 N -0.53 -0.28 0.36 0.86 -0.26 -1.27 0.58 115.58 115.04 1dby h ASN 13 Ca 0.03 -0.24 -0.10 0.00 -0.56 0.00 0.00 56.30 55.43 1dby h ASN 13 Cb 0.56 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1dby h ASN 13 CO -0.19 0.14 -0.45 0.58 -1.06 0.00 0.00 177.43 176.45 1dby h VAL 14 N -0.76 1.33 0.00 2.81 2.07 -0.73 -3.33 116.25 117.64 1dby h VAL 14 Ca -0.03 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1dby h VAL 14 Cb 0.50 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1dby h VAL 14 CO 0.06 0.46 0.00 0.52 0.02 0.00 0.00 177.57 178.63 1dby n VAL 15 N -4.00 0.00 -0.33 2.57 0.31 0.11 -4.49 118.33 112.50 1dby n VAL 15 Ca -0.02 0.11 0.07 0.00 -0.01 0.00 0.00 64.34 64.49 1dby n VAL 15 Cb 0.49 -1.02 0.23 0.00 -0.91 0.00 0.00 33.84 32.63 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 0.78 -2.09 7.52 3.38 -0.95 0.45 115.31 124.40 1dby h LEU 16 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dby h LEU 16 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1dby h LEU 16 CO 0.00 0.39 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 1dby n GLU 17 N -4.72 2.61 -2.45 1.13 1.02 0.15 -3.84 120.64 114.54 1dby n GLU 17 Ca 0.18 -1.87 -0.39 0.00 -0.02 0.00 0.00 57.16 55.07 1dby n GLU 17 Cb 0.38 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dby s SER 18 N -0.84 6.92 -0.08 1.62 0.15 0.15 -4.88 113.70 116.73 1dby s SER 18 Ca 0.34 2.21 -0.01 0.00 0.70 0.00 0.00 55.95 59.19 1dby s SER 18 Cb 0.20 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1dby s SER 18 CO 0.18 -0.39 0.03 0.77 1.20 0.00 0.00 173.24 175.04 1dby h SER 19 N 3.09 -0.02 -4.21 5.45 4.64 -1.93 -1.15 113.55 119.42 1dby h SER 19 Ca -0.48 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.36 1dby h SER 19 Cb 1.22 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.35 1dby h SER 19 CO 0.64 0.41 0.38 0.68 -0.87 0.00 0.00 176.83 178.08 1dby s VAL 20 N -1.55 4.28 0.96 0.95 -7.23 -1.26 -4.06 120.40 112.50 1dby s VAL 20 Ca -0.00 1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 61.10 1dby s VAL 20 Cb 0.00 -3.60 0.13 0.00 0.56 0.00 0.00 36.38 33.46 1dby s VAL 20 CO 0.01 -0.67 0.85 -2.65 -0.31 0.00 0.00 175.10 172.33 1dby n PRO 21 N -1.88 -0.66 -3.89 4.82 -0.02 -1.24 -4.74 135.00 127.40 1dby n PRO 21 Ca 0.07 -0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 1dby n PRO 21 Cb 0.54 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.52 0.03 -0.32 -1.45 1.01 0.40 -0.34 120.40 117.21 1dby s VAL 22 Ca 0.63 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1dby s VAL 22 Cb -0.22 -0.14 0.09 0.00 0.00 0.00 0.00 36.38 36.11 1dby s VAL 22 CO 0.62 -0.15 0.01 -0.22 0.00 0.00 0.00 175.10 175.37 1dby s LEU 23 N -0.43 4.44 -0.20 3.92 0.20 0.57 -0.45 118.68 126.74 1dby s LEU 23 Ca -0.05 -1.98 -0.12 0.00 0.69 0.00 0.00 54.13 52.67 1dby s LEU 23 Cb -0.03 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 1dby s LEU 23 CO -0.00 -0.34 0.24 -0.69 -0.29 0.00 0.00 176.35 175.27 1dby s VAL 24 N 0.95 5.32 -0.23 1.68 1.01 0.20 -0.11 120.40 129.22 1dby s VAL 24 Ca 0.06 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 1dby s VAL 24 Cb -0.19 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1dby s VAL 24 CO -0.07 0.36 0.10 -0.62 0.00 0.00 0.00 175.10 174.86 1dby s ASP 25 N 0.76 5.65 -0.56 3.32 2.15 0.47 -0.24 116.67 128.21 1dby s ASP 25 Ca 0.12 -0.00 -0.28 0.00 0.43 0.00 0.00 52.55 52.82 1dby s ASP 25 Cb -0.13 -2.00 0.03 0.00 -0.30 0.00 0.00 42.92 40.51 1dby s ASP 25 CO 0.04 0.06 1.20 -0.36 -0.17 0.00 0.00 175.17 175.95 1dby s PHE 26 N 1.04 2.61 0.33 -5.34 0.40 0.34 -0.62 117.98 116.73 1dby s PHE 26 Ca 0.05 0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 1dby s PHE 26 Cb -0.14 -4.50 0.00 0.00 0.51 0.00 0.00 43.02 38.90 1dby s PHE 26 CO 0.04 -1.58 0.04 -2.67 0.70 0.00 0.00 175.22 171.74 1dby n TRP 27 N 8.44 0.53 -3.56 0.36 4.27 0.50 -3.74 117.44 124.24 1dby n TRP 27 Ca 0.09 -1.58 -0.11 0.00 -3.89 0.00 0.00 57.50 52.01 1dby n TRP 27 Cb 0.49 -0.22 -0.05 0.00 -1.36 0.00 0.00 31.31 30.17 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 -2.55 -1.90 0.15 -1.67 0.00 -1.26 -0.28 121.76 114.25 1dby s ALA 28 Ca 0.03 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 1dby s ALA 28 Cb -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1dby s ALA 28 CO 0.02 -0.39 1.62 -1.00 0.00 0.00 0.00 175.76 176.01 1dby h PRO 29 N 2.48 0.82 0.00 0.00 0.13 -2.01 -0.01 132.00 133.41 1dby h PRO 29 Ca -0.20 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1dby h PRO 29 Cb 1.18 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1dby h PRO 29 CO 0.32 0.83 0.08 0.11 -0.23 0.00 0.00 178.00 179.11 1dby h TRP 30 N 0.68 0.00 -1.00 1.56 5.08 -2.04 -3.38 115.95 116.86 1dby h TRP 30 Ca 0.14 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.57 1dby h TRP 30 Cb 0.43 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.50 1dby h TRP 30 CO 0.03 0.00 1.43 0.00 -1.28 0.00 0.00 178.44 178.62 1dby n GLY 32 N 6.70 -2.56 0.25 0.00 0.00 -1.26 -0.72 105.19 107.60 1dby n GLY 32 Ca 0.36 0.93 0.02 0.00 0.00 0.00 0.00 46.02 47.34 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 0.28 1.61 0.11 -1.95 0.22 132.00 132.44 1dby h PRO 33 Ca 0.10 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1dby h PRO 33 Cb 0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1dby h PRO 33 CO -0.60 0.11 -0.19 0.00 -0.21 0.00 0.00 178.00 177.11 1dby h ARG 35 N -0.46 -0.39 0.00 0.00 2.43 -0.19 0.16 114.38 115.92 1dby h ARG 35 Ca -0.02 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1dby h ARG 35 Cb 0.39 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1dby h ARG 35 CO 0.02 -0.26 -0.58 -0.84 -1.51 0.00 0.00 179.97 176.79 1dby h ILE 36 N -0.41 1.16 0.00 1.20 -0.00 -0.87 -3.17 117.51 115.42 1dby h ILE 36 Ca 0.07 -2.20 -0.17 0.00 -0.00 0.00 0.00 64.86 62.56 1dby h ILE 36 Cb 0.51 2.28 -0.03 0.00 -0.00 0.00 0.00 36.82 39.59 1dby h ILE 36 CO -0.27 0.57 -0.99 0.40 -0.00 0.00 0.00 178.15 177.87 1dby h ILE 37 N 0.00 0.96 -0.99 0.16 1.08 -0.56 -3.39 117.51 114.77 1dby h ILE 37 Ca -0.01 -2.48 0.28 0.00 -0.39 0.00 0.00 64.86 62.26 1dby h ILE 37 Cb 1.24 2.41 -0.18 0.00 -3.07 0.00 0.00 36.82 37.22 1dby h ILE 37 CO 0.08 0.55 0.05 0.00 -0.69 0.00 0.00 178.15 178.13 1dby n ALA 38 N -2.33 0.53 -0.07 1.87 0.00 0.53 0.28 120.51 121.33 1dby n ALA 38 Ca -0.04 1.06 -0.01 0.00 0.00 0.00 0.00 53.44 54.45 1dby n ALA 38 Cb 0.84 -0.79 0.26 0.00 0.00 0.00 0.00 19.45 19.76 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 0.68 -0.26 0.00 0.11 -1.77 0.94 132.00 131.70 1dby h PRO 39 Ca 0.61 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 66.52 1dby h PRO 39 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1dby h PRO 39 CO -0.92 0.62 -0.15 0.28 -0.21 0.00 0.00 178.00 177.62 1dby h VAL 40 N 0.66 1.30 -0.61 3.15 2.07 -0.43 0.19 116.25 122.59 1dby h VAL 40 Ca 0.15 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.45 1dby h VAL 40 Cb 0.25 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1dby h VAL 40 CO -0.00 0.40 0.36 0.58 0.02 0.00 0.00 177.57 178.92 1dby h VAL 41 N 0.29 1.04 0.71 2.57 2.07 -0.41 0.32 116.25 122.84 1dby h VAL 41 Ca 0.06 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1dby h VAL 41 Cb 0.68 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1dby h VAL 41 CO 0.04 0.13 -0.46 -0.78 0.02 0.00 0.00 177.57 176.52 1dby h ASP 42 N 0.70 -1.18 -0.42 0.57 3.58 -0.58 -2.36 116.42 116.72 1dby h ASP 42 Ca 0.25 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.79 1dby h ASP 42 Cb 0.07 0.35 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1dby h ASP 42 CO -0.13 -0.70 0.28 1.05 -2.88 0.00 0.00 179.24 176.87 1dby h GLU 43 N -1.10 0.50 -0.68 0.28 4.11 -0.80 0.23 114.58 117.12 1dby h GLU 43 Ca -0.09 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.36 1dby h GLU 43 Cb 0.89 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1dby h GLU 43 CO 0.08 0.33 0.38 0.82 0.07 0.00 0.00 179.01 180.69 1dby h ILE 44 N 0.52 0.97 -0.16 -1.06 2.04 -0.74 0.43 117.51 119.51 1dby h ILE 44 Ca 0.16 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1dby h ILE 44 Cb 0.02 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1dby h ILE 44 CO -0.04 0.13 0.03 0.00 0.00 0.00 0.00 178.15 178.27 1dby h ALA 45 N 1.35 0.21 -0.15 1.87 0.00 -0.28 0.60 119.26 122.86 1dby h ALA 45 Ca 0.30 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1dby h ALA 45 Cb 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1dby h ALA 45 CO -0.18 -0.13 -0.51 0.78 0.00 0.00 0.00 179.25 179.21 1dby h GLY 46 N 0.04 -1.12 -0.18 0.00 0.00 0.51 0.56 103.07 102.89 1dby h GLY 46 Ca 0.05 0.69 0.07 0.00 0.00 0.00 0.00 47.33 48.14 1dby h GLY 46 CO 0.00 -0.22 -0.38 0.83 0.00 0.00 0.00 176.54 176.78 1dby h GLU 47 N -0.53 -0.31 -2.77 4.80 5.08 -0.23 -2.94 114.58 117.68 1dby h GLU 47 Ca 0.03 0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.77 1dby h GLU 47 Cb 0.63 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1dby h GLU 47 CO -0.42 -0.21 2.99 0.66 -1.00 0.00 0.00 179.01 181.03 1dby n TYR 48 N -5.42 2.26 -1.56 4.33 4.02 0.20 -4.92 117.16 116.07 1dby n TYR 48 Ca -0.00 -2.85 -0.46 0.00 -0.01 0.00 0.00 57.90 54.57 1dby n TYR 48 Cb 0.35 -2.20 -0.03 0.00 -0.02 0.00 0.00 39.34 37.45 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1dby n LYS 49 N 2.85 1.13 0.00 -0.72 2.85 -1.11 0.47 118.16 123.64 1dby n LYS 49 Ca 0.70 0.40 0.00 0.00 -1.05 0.00 0.00 58.31 58.36 1dby n LYS 49 Cb 0.30 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 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 1.56 0.00 0.00 -5.58 2.03 -1.26 -4.47 116.55 108.83 1dby n ASP 50 Ca 0.12 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.55 1dby n ASP 50 Cb 0.29 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.23 1dby n ASP 50 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1dby n LYS 51 N 0.00 0.05 -3.57 -0.67 2.85 -1.19 -4.51 118.16 111.13 1dby n LYS 51 Ca 0.00 0.07 -0.24 0.00 -1.05 0.00 0.00 58.31 57.09 1dby n LYS 51 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.73 1dby n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1dby s LEU 52 N -2.94 0.22 -0.40 -5.58 2.96 -0.98 -3.68 118.68 108.27 1dby s LEU 52 Ca 0.14 -0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 53.29 1dby s LEU 52 Cb 0.16 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.81 1dby s LEU 52 CO 0.45 -0.35 0.54 -0.75 -1.32 0.00 0.00 176.35 174.92 1dby s LYS 53 N 2.19 3.35 0.21 1.98 2.36 0.54 0.35 119.74 130.73 1dby s LYS 53 Ca 0.04 -0.40 -0.30 0.00 -2.55 0.00 0.00 55.97 52.76 1dby s LYS 53 Cb -0.16 -3.91 -0.08 0.00 -1.05 0.00 0.00 37.83 32.63 1dby s LYS 53 CO -0.13 -0.84 0.99 0.00 1.55 0.00 0.00 175.35 176.92 1dby s VAL 55 N -0.80 0.19 -0.23 0.00 1.01 0.84 -0.33 120.40 121.07 1dby s VAL 55 Ca 0.44 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1dby s VAL 55 Cb -0.27 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.81 1dby s VAL 55 CO 0.33 -0.88 0.06 -0.54 0.00 0.00 0.00 175.10 174.07 1dby s LYS 56 N -3.70 0.67 -0.25 2.72 1.02 -0.75 -0.40 119.74 119.06 1dby s LYS 56 Ca 0.05 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 1dby s LYS 56 Cb 0.06 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1dby s LYS 56 CO -0.09 -0.76 0.65 -0.48 -0.92 0.00 0.00 175.35 173.75 1dby s LEU 57 N 1.79 4.06 -0.52 3.17 0.05 0.21 -0.79 118.68 126.66 1dby s LEU 57 Ca 0.02 0.75 -0.28 0.00 0.05 0.00 0.00 54.13 54.67 1dby s LEU 57 Cb -0.17 -2.89 0.01 0.00 -2.05 0.00 0.00 46.19 41.09 1dby s LEU 57 CO -0.15 -0.39 1.39 0.21 -0.55 0.00 0.00 176.35 176.87 1dby s ASN 58 N 1.45 6.22 0.30 1.48 3.84 -0.83 -0.37 114.94 127.04 1dby s ASN 58 Ca 0.27 0.44 0.08 0.00 0.21 0.00 0.00 52.86 53.85 1dby s ASN 58 Cb -0.15 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.49 1dby s ASN 58 CO 0.08 -1.60 1.72 0.74 -2.79 0.00 0.00 177.10 175.25 1dby h THR 59 N 6.39 1.31 -0.49 -5.21 2.02 -0.91 0.41 112.91 116.43 1dby h THR 59 Ca -0.27 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.31 1dby h THR 59 Cb 1.09 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1dby h THR 59 CO 1.15 0.45 -0.06 -0.78 0.37 0.00 0.00 175.52 176.65 1dby h ASP 60 N 0.16 0.90 0.88 4.18 1.82 -1.89 -1.18 116.42 121.29 1dby h ASP 60 Ca 0.01 -0.34 -0.21 0.00 -0.39 0.00 0.00 57.03 56.10 1dby h ASP 60 Cb 0.80 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 1dby h ASP 60 CO 0.06 1.02 -1.20 -0.08 -1.61 0.00 0.00 179.24 177.44 1dby h GLU 61 N 0.76 0.00 -1.61 0.28 4.81 -1.89 -3.39 114.58 113.54 1dby h GLU 61 Ca 0.13 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.84 1dby h GLU 61 Cb 0.60 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.57 1dby h GLU 61 CO 0.04 0.67 -0.88 0.45 -0.73 0.00 0.00 179.01 178.56 1dby n SER 62 N -3.17 3.43 0.26 1.04 2.88 0.14 -4.84 113.62 113.36 1dby n SER 62 Ca -0.06 -3.39 0.10 0.00 -1.33 0.00 0.00 58.87 54.19 1dby n SER 62 Cb 0.93 -0.52 0.69 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.00 -0.96 -1.46 0.13 -1.42 -3.00 132.00 128.10 1dby h PRO 63 Ca 0.15 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.36 1dby h PRO 63 Cb 0.90 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.91 1dby h PRO 63 CO 0.72 0.10 -0.59 -0.91 -0.23 0.00 0.00 178.00 177.09 1dby h ASN 64 N 0.00 -2.14 0.07 1.44 4.21 -1.88 0.28 115.58 117.56 1dby h ASN 64 Ca -0.00 0.32 -0.00 0.00 1.21 0.00 0.00 56.30 57.83 1dby h ASN 64 Cb 0.22 0.94 -0.00 0.00 -1.12 0.00 0.00 38.32 38.36 1dby h ASN 64 CO 0.01 -0.24 -0.04 0.58 -1.29 0.00 0.00 177.43 176.45 1dby h VAL 65 N -0.03 0.91 -0.94 2.81 2.07 -1.93 0.98 116.25 120.13 1dby h VAL 65 Ca 0.15 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.82 1dby h VAL 65 Cb 0.42 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1dby h VAL 65 CO -0.91 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.22 1dby h ALA 66 N 0.82 1.45 -0.24 1.67 0.00 -1.43 -0.16 119.26 121.38 1dby h ALA 66 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1dby h ALA 66 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1dby h ALA 66 CO 0.01 0.03 -0.13 0.77 0.00 0.00 0.00 179.25 179.93 1dby h SER 67 N 0.79 0.52 -0.84 0.00 0.02 0.33 0.27 113.55 114.64 1dby h SER 67 Ca 0.50 -0.42 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1dby h SER 67 Cb 0.65 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 1dby h SER 67 CO -0.33 0.83 0.51 -0.33 -1.14 0.00 0.00 176.83 176.37 1dby h GLU 68 N 0.22 0.87 0.07 3.45 5.08 0.14 -2.09 114.58 122.31 1dby h GLU 68 Ca 0.05 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 1dby h GLU 68 Cb 0.64 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1dby h GLU 68 CO 0.04 0.58 -1.09 1.88 -1.00 0.00 0.00 179.01 179.41 1dby h TYR 69 N 0.90 0.43 -0.21 4.33 0.05 -0.97 -3.49 116.97 118.01 1dby h TYR 69 Ca 0.38 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1dby h TYR 69 Cb 0.25 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1dby h TYR 69 CO -0.04 1.17 0.00 0.41 -1.05 0.00 0.00 178.16 178.65 1dby n GLY 70 N 1.28 0.70 3.13 3.88 0.00 0.74 -5.10 105.19 109.82 1dby n GLY 70 Ca -0.06 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.21 0.00 0.15 -0.61 -5.35 0.12 -5.01 119.36 108.46 1dby n ILE 71 Ca 0.00 -2.29 0.00 0.00 -0.27 0.00 0.00 62.75 60.19 1dby n ILE 71 Cb 0.07 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1dby n ILE 71 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1dby n ARG 72 N -0.76 0.00 -1.21 6.28 0.63 -1.26 -4.14 116.66 116.20 1dby n ARG 72 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1dby n ARG 72 Cb 0.58 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.58 1dby n ARG 72 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1dby n SER 73 N -3.13 -0.25 -3.97 6.15 7.64 -1.26 -5.05 113.62 113.76 1dby n SER 73 Ca 0.00 0.59 -0.08 0.00 1.01 0.00 0.00 58.87 60.38 1dby n SER 73 Cb 0.00 -1.34 -0.09 0.00 -1.01 0.00 0.00 64.21 61.77 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 -1.97 0.17 0.72 0.44 -4.36 -1.26 -4.63 121.20 110.30 1dby s ILE 74 Ca 0.69 -1.36 -0.14 0.00 -0.26 0.00 0.00 60.65 59.58 1dby s ILE 74 Cb -0.32 -1.22 0.03 0.00 1.25 0.00 0.00 42.46 42.21 1dby s ILE 74 CO 0.55 -0.75 1.13 -2.16 0.24 0.00 0.00 174.94 173.95 1dby s PRO 75 N -3.38 2.38 -0.30 0.37 0.04 -1.26 -5.00 135.00 127.85 1dby s PRO 75 Ca 0.02 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 1dby s PRO 75 Cb 0.03 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.84 1dby s PRO 75 CO -0.08 -1.59 0.64 0.99 0.04 0.00 0.00 177.00 177.00 1dby s THR 76 N -2.40 -0.98 0.06 1.26 2.01 -1.25 -4.36 115.64 109.98 1dby s THR 76 Ca 0.67 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 1dby s THR 76 Cb -0.22 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1dby s THR 76 CO 0.47 0.00 0.25 -0.63 -0.69 0.00 0.00 174.62 174.02 1dby s ILE 77 N 2.87 5.34 -0.03 1.82 1.01 0.43 -0.51 121.20 132.14 1dby s ILE 77 Ca 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1dby s ILE 77 Cb -0.13 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1dby s ILE 77 CO -0.20 0.19 -0.03 -0.04 0.00 0.00 0.00 174.94 174.86 1dby s MET 78 N -2.32 0.50 -0.11 2.79 -1.94 0.66 -0.15 119.30 118.73 1dby s MET 78 Ca 0.34 -0.06 -0.08 0.00 -1.71 0.00 0.00 55.69 54.18 1dby s MET 78 Cb -0.13 -0.56 -0.04 0.00 2.01 0.00 0.00 34.83 36.11 1dby s MET 78 CO 0.24 -0.04 0.16 0.08 -0.01 0.00 0.00 175.02 175.45 1dby s VAL 79 N 0.62 5.47 0.03 -6.03 1.01 -0.06 -0.63 120.40 120.81 1dby s VAL 79 Ca -0.07 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1dby s VAL 79 Cb -0.10 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1dby s VAL 79 CO -0.01 0.62 -0.10 -0.36 0.00 0.00 0.00 175.10 175.25 1dby s PHE 80 N -1.03 0.91 -0.19 5.22 0.40 0.40 -0.07 117.98 123.63 1dby s PHE 80 Ca 0.16 -0.31 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 1dby s PHE 80 Cb -0.12 -0.55 0.05 0.00 0.51 0.00 0.00 43.02 42.91 1dby s PHE 80 CO 0.05 -0.01 0.49 -1.59 0.70 0.00 0.00 175.22 174.86 1dby s LYS 81 N -0.93 0.54 -1.26 0.44 0.00 0.20 -0.45 119.74 118.29 1dby s LYS 81 Ca -0.01 0.75 -0.03 0.00 0.00 0.00 0.00 55.97 56.68 1dby s LYS 81 Cb -0.07 0.20 0.00 0.00 0.00 0.00 0.00 37.83 37.97 1dby s LYS 81 CO 0.01 -0.10 1.07 0.41 0.00 0.00 0.00 175.35 176.74 1dby n GLY 82 N 3.27 -0.43 5.00 0.59 0.00 -1.26 -3.41 105.19 108.95 1dby n GLY 82 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.47 1.15 3.90 -0.02 0.00 -0.44 -4.91 105.19 103.40 1dby n GLY 83 Ca -0.17 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 2.29 0.69 1.61 -0.14 -1.22 -3.89 119.74 119.09 1dby s LYS 84 Ca 0.00 0.12 -0.14 0.00 -1.36 0.00 0.00 55.97 54.59 1dby s LYS 84 Cb 0.00 -2.03 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1dby s LYS 84 CO 0.00 -1.33 1.13 0.21 -0.76 0.00 0.00 175.35 174.60 1dby s LYS 85 N -5.42 2.54 0.00 1.68 2.20 -1.26 -0.63 119.74 118.85 1dby s LYS 85 Ca 0.60 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 1dby s LYS 85 Cb -0.11 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1dby s LYS 85 CO 0.49 -1.47 0.00 0.00 -0.36 0.00 0.00 175.35 174.01 1dby s GLU 87 N -0.76 1.49 0.06 0.00 0.41 -1.24 -5.00 118.70 113.67 1dby s GLU 87 Ca 0.00 -1.53 0.08 0.00 -0.41 0.00 0.00 54.97 53.11 1dby s GLU 87 Cb 0.00 0.38 -0.03 0.00 -1.78 0.00 0.00 34.13 32.70 1dby s GLU 87 CO 0.00 -0.58 -0.19 0.99 -0.49 0.00 0.00 175.26 175.00 1dby s THR 88 N -3.87 2.77 0.19 3.63 2.01 -1.26 -0.88 115.64 118.23 1dby s THR 88 Ca 0.31 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 61.06 1dby s THR 88 Cb 0.02 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1dby s THR 88 CO 0.13 0.27 0.15 -0.38 -0.69 0.00 0.00 174.62 174.10 1dby n ILE 89 N 1.33 0.00 -4.14 1.82 5.41 0.79 -4.96 119.36 119.60 1dby n ILE 89 Ca -0.16 -1.36 -0.15 0.00 1.00 0.00 0.00 62.75 62.09 1dby n ILE 89 Cb 0.52 0.65 -0.11 0.00 -0.71 0.00 0.00 39.64 40.00 1dby n ILE 89 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1dby s ILE 90 N -2.71 0.85 0.00 1.39 1.01 -1.26 -0.43 121.20 120.05 1dby s ILE 90 Ca 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1dby s ILE 90 Cb 0.01 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1dby s ILE 90 CO 0.15 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.23 1dby n GLY 91 N 0.90 -0.15 3.96 6.18 0.00 -1.26 -4.66 105.19 110.16 1dby n GLY 91 Ca -0.19 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.45 -2.76 4.61 0.00 -1.26 -4.99 120.51 111.66 1dby n ALA 92 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1dby n ALA 92 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 19.45 15.72 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 -3.42 0.13 0.67 0.00 -7.23 -1.26 -5.17 120.40 104.13 1dby s VAL 93 Ca 0.52 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.48 1dby s VAL 93 Cb -0.27 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 1dby s VAL 93 CO 0.85 -0.61 1.05 -2.16 -0.31 0.00 0.00 175.10 173.93 1dby s PRO 94 N -2.22 3.18 0.26 4.82 0.04 -1.26 -4.87 135.00 134.94 1dby s PRO 94 Ca -0.09 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 61.77 1dby s PRO 94 Cb -0.04 -2.03 0.55 0.00 0.04 0.00 0.00 34.50 33.02 1dby s PRO 94 CO -0.03 -0.89 1.73 1.57 0.04 0.00 0.00 177.00 179.41 1dby h LYS 95 N -0.56 0.45 -0.76 4.56 2.10 -1.99 -0.34 116.57 120.02 1dby h LYS 95 Ca -0.44 -0.03 0.15 0.00 -2.00 0.00 0.00 60.65 58.34 1dby h LYS 95 Cb 1.21 -0.10 -0.10 0.00 -0.90 0.00 0.00 32.23 32.33 1dby h LYS 95 CO 0.59 0.30 0.27 0.00 -2.00 0.00 0.00 179.45 178.61 1dby h ALA 96 N 1.60 1.05 0.07 0.07 0.00 -1.98 0.23 119.26 120.30 1dby h ALA 96 Ca 0.47 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1dby h ALA 96 Cb 0.75 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dby h ALA 96 CO -0.44 -0.27 -0.03 1.15 0.00 0.00 0.00 179.25 179.66 1dby h THR 97 N 0.38 1.12 -0.01 0.00 2.02 -1.44 -1.23 112.91 113.75 1dby h THR 97 Ca 0.43 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1dby h THR 97 Cb 0.69 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1dby h THR 97 CO -0.45 0.16 -0.18 0.40 0.37 0.00 0.00 175.52 175.82 1dby h ILE 98 N -0.38 0.56 0.23 3.11 2.04 -0.99 0.41 117.51 122.48 1dby h ILE 98 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1dby h ILE 98 Cb 0.34 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1dby h ILE 98 CO 0.02 0.00 -0.44 0.58 0.00 0.00 0.00 178.15 178.30 1dby h VAL 99 N -0.29 0.13 -0.43 1.67 2.07 -0.58 0.10 116.25 118.91 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 0.37 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1dby h VAL 99 CO -0.18 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.09 1dby h GLN 100 N -0.75 0.26 -0.59 1.57 4.20 -0.98 0.11 115.11 118.94 1dby h GLN 100 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1dby h GLN 100 Cb 0.73 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1dby h GLN 100 CO -0.19 0.17 0.35 1.15 -0.67 0.00 0.00 178.83 179.65 1dby h THR 101 N 0.27 1.17 -0.09 -0.54 2.02 -0.51 -0.05 112.91 115.18 1dby h THR 101 Ca 0.21 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 1dby h THR 101 Cb 0.23 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1dby h THR 101 CO -0.24 0.18 -0.29 1.62 0.37 0.00 0.00 175.52 177.16 1dby h VAL 102 N 0.79 1.40 -0.68 3.16 3.04 -0.37 -3.20 116.25 120.39 1dby h VAL 102 Ca 0.21 -1.64 0.13 0.00 -1.01 0.00 0.00 66.70 64.39 1dby h VAL 102 Cb -0.01 2.21 -0.09 0.00 -2.01 0.00 0.00 31.29 31.38 1dby h VAL 102 CO -0.04 0.47 0.21 -0.33 -1.01 0.00 0.00 177.57 176.88 1dby h GLU 103 N -0.10 0.34 -0.82 4.17 5.08 -0.66 0.12 114.58 122.71 1dby h GLU 103 Ca -0.01 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.52 1dby h GLU 103 Cb 0.91 -0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.97 1dby h GLU 103 CO 0.06 0.23 0.27 -0.22 -1.00 0.00 0.00 179.01 178.35 1dby h LYS 104 N 0.35 0.31 0.16 2.33 3.64 -0.99 -0.65 116.57 121.71 1dby h LYS 104 Ca 0.37 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.46 1dby h LYS 104 Cb 0.55 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1dby h LYS 104 CO -0.41 0.21 -1.15 1.88 -2.27 0.00 0.00 179.45 177.71 1dby h TYR 105 N 0.32 0.85 0.00 1.91 0.05 -0.97 -3.44 116.97 115.69 1dby h TYR 105 Ca 0.49 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1dby h TYR 105 Cb 0.90 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1dby h TYR 105 CO -0.21 1.43 0.00 1.28 -1.05 0.00 0.00 178.16 179.61 1dby n LEU 106 N -3.90 0.00 0.00 3.88 4.77 0.21 -5.14 117.00 116.82 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 0.95 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1dby n LEU 106 CO 0.55 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.41