#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 -0.12 -6.53 3.17 5.08 -1.96 -3.39 114.58 110.83 1dby h GLU 2 Ca 0.00 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.84 1dby h GLU 2 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dby h GLU 2 CO 0.00 0.26 0.53 0.00 -1.00 0.00 0.00 179.01 178.80 1dby s ALA 3 N -4.59 3.37 1.12 3.43 0.00 -1.26 -4.79 121.76 119.05 1dby s ALA 3 Ca -0.15 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 1dby s ALA 3 Cb 0.02 -3.41 0.27 0.00 0.00 0.00 0.00 23.12 19.99 1dby s ALA 3 CO 0.62 -0.37 1.23 0.20 0.00 0.00 0.00 175.76 177.45 1dby s GLY 4 N 0.72 1.71 -0.04 0.00 0.00 -0.31 -4.82 107.32 104.58 1dby s GLY 4 Ca 0.56 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 44.14 1dby s GLY 4 CO 0.31 -0.31 -0.25 0.00 0.00 0.00 0.00 173.10 172.85 1dby s ALA 5 N -3.49 2.09 0.22 3.20 0.00 -1.26 -0.77 121.76 121.76 1dby s ALA 5 Ca 0.74 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.70 1dby s ALA 5 Cb -0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1dby s ALA 5 CO 0.55 0.45 -0.04 0.14 0.00 0.00 0.00 175.76 176.86 1dby s VAL 6 N -0.35 1.19 0.22 0.00 -7.23 0.22 -4.86 120.40 109.60 1dby s VAL 6 Ca 0.02 -2.06 -0.07 0.00 -1.81 0.00 0.00 61.98 58.06 1dby s VAL 6 Cb -0.12 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1dby s VAL 6 CO 0.01 -0.42 0.31 0.21 -0.31 0.00 0.00 175.10 174.90 1dby s ASN 7 N -3.30 0.03 0.31 4.85 3.04 -1.26 -3.22 114.94 115.38 1dby s ASN 7 Ca 0.26 -1.15 0.05 0.00 0.04 0.00 0.00 52.86 52.06 1dby s ASN 7 Cb 0.04 0.48 0.83 0.00 -1.54 0.00 0.00 41.25 41.07 1dby s ASN 7 CO 0.07 -0.99 1.48 0.47 -3.04 0.00 0.00 177.10 175.10 1dby n ASP 8 N -0.32 -0.02 0.00 -4.21 8.00 -1.26 -0.41 116.55 118.32 1dby n ASP 8 Ca 0.00 1.60 0.00 0.00 0.71 0.00 0.00 54.79 57.10 1dby n ASP 8 Cb 0.64 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dby n ASP 9 N -5.35 0.00 -0.34 -2.24 2.03 -1.26 -3.96 116.55 105.43 1dby n ASP 9 Ca 0.25 0.64 0.19 0.00 0.52 0.00 0.00 54.79 56.39 1dby n ASP 9 Cb 0.83 -0.29 0.42 0.00 -0.72 0.00 0.00 41.12 41.35 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 0.54 -0.95 5.18 1.35 -1.80 -1.53 112.91 115.70 1dby h THR 10 Ca 0.00 -0.18 0.24 0.00 -0.55 0.00 0.00 66.41 65.92 1dby h THR 10 Cb 0.00 -0.04 -0.18 0.00 -1.73 0.00 0.00 68.15 66.20 1dby h THR 10 CO 0.00 0.10 -0.04 0.33 -0.25 0.00 0.00 175.52 175.66 1dby n PHE 11 N -4.80 0.54 -0.01 4.73 7.35 0.46 -0.56 117.46 125.17 1dby n PHE 11 Ca 0.26 1.15 -0.08 0.00 -0.76 0.00 0.00 57.45 58.02 1dby n PHE 11 Cb 0.78 -1.17 -0.05 0.00 0.35 0.00 0.00 39.48 39.38 1dby n PHE 11 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1dby h LYS 12 N 0.00 -0.29 -0.32 -4.13 1.79 -1.41 0.30 116.57 112.51 1dby h LYS 12 Ca 0.55 0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.88 1dby h LYS 12 Cb 1.07 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1dby h LYS 12 CO -0.91 -0.19 -0.43 -0.91 -1.08 0.00 0.00 179.45 175.92 1dby h ASN 13 N -0.30 0.86 0.05 0.86 -0.26 -1.15 0.33 115.58 115.97 1dby h ASN 13 Ca 0.02 -0.41 -0.13 0.00 -0.56 0.00 0.00 56.30 55.22 1dby h ASN 13 Cb 0.36 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1dby h ASN 13 CO -0.24 1.17 -0.65 1.62 -1.06 0.00 0.00 177.43 178.26 1dby h VAL 14 N 0.65 1.44 0.00 2.81 3.04 -0.78 -3.37 116.25 120.03 1dby h VAL 14 Ca 0.04 -2.36 -0.09 0.00 -1.01 0.00 0.00 66.70 63.28 1dby h VAL 14 Cb 1.00 3.01 -0.01 0.00 -2.01 0.00 0.00 31.29 33.28 1dby h VAL 14 CO 0.10 0.59 -1.09 0.52 -1.01 0.00 0.00 177.57 176.67 1dby n VAL 15 N -4.36 1.48 0.20 1.51 0.31 0.97 -4.43 118.33 114.02 1dby n VAL 15 Ca -0.18 0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1dby n VAL 15 Cb 0.66 -2.27 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 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 -1.00 -0.47 -3.58 7.52 3.38 -1.04 -3.23 115.31 116.89 1dby h LEU 16 Ca -0.14 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1dby h LEU 16 Cb 0.96 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1dby h LEU 16 CO -0.08 -0.06 -0.20 -0.62 0.09 0.00 0.00 178.44 177.57 1dby n GLU 17 N -5.17 1.51 -2.74 1.13 1.02 0.08 -0.15 120.64 116.30 1dby n GLU 17 Ca -0.09 -0.54 -0.24 0.00 -0.02 0.00 0.00 57.16 56.27 1dby n GLU 17 Cb 0.28 -1.55 0.02 0.00 -0.02 0.00 0.00 31.44 30.17 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 5.73 -0.02 1.62 1.04 -1.22 -4.80 113.70 118.07 1dby s SER 18 Ca 0.36 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 57.21 1dby s SER 18 Cb 0.17 -1.58 -0.01 0.00 0.10 0.00 0.00 66.02 64.70 1dby s SER 18 CO 0.00 -0.85 -0.04 -1.54 0.98 0.00 0.00 173.24 171.79 1dby n SER 19 N -2.28 0.24 -4.87 7.02 3.41 -1.26 -3.92 113.62 111.96 1dby n SER 19 Ca 0.03 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.37 1dby n SER 19 Cb 0.58 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.23 3.82 1.12 -3.33 -7.23 -1.26 -4.26 120.40 108.03 1dby s VAL 20 Ca -0.03 0.59 -0.15 0.00 -1.81 0.00 0.00 61.98 60.58 1dby s VAL 20 Cb 0.00 -3.53 0.19 0.00 0.56 0.00 0.00 36.38 33.60 1dby s VAL 20 CO 0.04 -0.77 0.58 -2.65 -0.31 0.00 0.00 175.10 171.99 1dby n PRO 21 N -3.00 -1.83 -3.67 4.82 -0.02 -1.26 -4.62 135.00 125.43 1dby n PRO 21 Ca 0.07 -0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 60.90 1dby n PRO 21 Cb 0.56 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 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 -2.35 -0.38 -0.52 -1.45 1.01 0.10 -0.30 120.40 116.51 1dby s VAL 22 Ca 0.63 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 1dby s VAL 22 Cb -0.20 -0.42 0.09 0.00 0.00 0.00 0.00 36.38 35.86 1dby s VAL 22 CO 0.65 0.12 0.53 -0.22 0.00 0.00 0.00 175.10 176.19 1dby s LEU 23 N 2.37 5.59 -0.42 3.92 0.20 0.65 -0.48 118.68 130.51 1dby s LEU 23 Ca 0.01 -1.39 -0.16 0.00 0.69 0.00 0.00 54.13 53.28 1dby s LEU 23 Cb -0.12 -2.27 0.02 0.00 -0.43 0.00 0.00 46.19 43.40 1dby s LEU 23 CO -0.08 -0.85 0.38 -0.69 -0.29 0.00 0.00 176.35 174.82 1dby s VAL 24 N 2.05 5.16 -0.30 1.68 1.01 0.19 0.22 120.40 130.42 1dby s VAL 24 Ca 0.08 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 1dby s VAL 24 Cb -0.25 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1dby s VAL 24 CO 0.07 -0.39 0.73 -0.62 0.00 0.00 0.00 175.10 174.89 1dby s ASP 25 N 1.80 6.62 -0.40 3.32 2.15 0.32 -0.44 116.67 130.04 1dby s ASP 25 Ca 0.09 0.63 -0.29 0.00 0.43 0.00 0.00 52.55 53.41 1dby s ASP 25 Cb -0.18 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1dby s ASP 25 CO 0.12 -0.55 1.16 -0.36 -0.17 0.00 0.00 175.17 175.37 1dby s PHE 26 N 2.81 2.88 0.18 -5.34 0.40 0.36 -0.47 117.98 118.80 1dby s PHE 26 Ca 0.30 0.88 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 1dby s PHE 26 Cb -0.15 -4.14 -0.00 0.00 0.51 0.00 0.00 43.02 39.24 1dby s PHE 26 CO 0.11 -1.21 0.03 -2.67 0.70 0.00 0.00 175.22 172.19 1dby n TRP 27 N 7.59 0.22 -3.58 0.36 4.27 0.31 -3.40 117.44 123.21 1dby n TRP 27 Ca 0.13 -1.01 -0.06 0.00 -3.89 0.00 0.00 57.50 52.67 1dby n TRP 27 Cb 0.48 -0.05 -0.03 0.00 -1.36 0.00 0.00 31.31 30.35 1dby n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby s ALA 28 N -2.40 -2.00 0.33 -1.67 0.00 -1.26 -0.43 121.76 114.33 1dby s ALA 28 Ca 0.05 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1dby s ALA 28 Cb 0.00 -0.29 0.56 0.00 0.00 0.00 0.00 23.12 23.38 1dby s ALA 28 CO 0.03 -0.51 1.94 -1.00 0.00 0.00 0.00 175.76 176.23 1dby h PRO 29 N 2.12 0.82 0.00 0.00 0.13 -2.00 0.08 132.00 133.15 1dby h PRO 29 Ca -0.14 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1dby h PRO 29 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dby h PRO 29 CO 0.26 0.62 0.00 -2.67 -0.23 0.00 0.00 178.00 175.98 1dby n TRP 30 N -4.38 0.00 0.41 1.56 4.27 -1.26 -4.13 117.44 113.92 1dby n TRP 30 Ca 0.05 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.50 1dby n TRP 30 Cb 0.11 -0.18 -0.08 0.00 -1.36 0.00 0.00 31.31 29.80 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 -1.02 1.25 0.30 0.00 0.00 -1.26 -4.74 105.19 99.73 1dby n GLY 32 Ca -0.13 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.13 -0.80 1.61 0.11 -1.94 0.92 132.00 132.02 1dby h PRO 33 Ca 0.00 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.29 1dby h PRO 33 Cb 0.00 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 30.95 1dby h PRO 33 CO 0.00 0.08 0.09 0.00 -0.21 0.00 0.00 178.00 177.96 1dby h ARG 35 N 0.15 0.61 0.00 0.00 3.08 -1.13 0.39 114.38 117.47 1dby h ARG 35 Ca 0.46 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1dby h ARG 35 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1dby h ARG 35 CO -0.66 0.81 0.00 0.44 -1.07 0.00 0.00 179.97 179.49 1dby n ILE 36 N -4.44 0.54 0.13 2.04 -6.64 -0.55 -2.72 119.36 107.73 1dby n ILE 36 Ca -0.03 -0.06 -0.22 0.00 -1.77 0.00 0.00 62.75 60.67 1dby n ILE 36 Cb 0.35 -0.72 -0.15 0.00 -1.44 0.00 0.00 39.64 37.67 1dby n ILE 36 CO 0.00 0.00 0.00 0.40 -1.77 0.00 0.00 176.55 175.18 1dby h ILE 37 N 0.00 1.31 -0.90 7.28 2.04 -0.00 -3.39 117.51 123.85 1dby h ILE 37 Ca 0.00 -2.79 0.23 0.00 1.00 0.00 0.00 64.86 63.30 1dby h ILE 37 Cb 0.56 2.99 -0.17 0.00 -0.74 0.00 0.00 36.82 39.46 1dby h ILE 37 CO 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 178.15 178.95 1dby n ALA 38 N -2.68 0.40 -0.30 1.87 0.00 0.09 0.11 120.51 120.01 1dby n ALA 38 Ca -0.15 0.97 -0.06 0.00 0.00 0.00 0.00 53.44 54.20 1dby n ALA 38 Cb 1.08 -0.68 0.07 0.00 0.00 0.00 0.00 19.45 19.92 1dby n ALA 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dby h PRO 39 N 0.00 1.20 -0.02 0.00 0.11 -1.76 0.79 132.00 132.33 1dby h PRO 39 Ca 0.52 -0.21 -0.06 0.00 0.11 0.00 0.00 66.00 66.35 1dby h PRO 39 Cb 1.01 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1dby h PRO 39 CO -0.86 0.97 -0.23 -0.24 -0.21 0.00 0.00 178.00 177.42 1dby h VAL 40 N 1.18 1.52 -0.78 3.15 3.04 -0.58 0.17 116.25 123.94 1dby h VAL 40 Ca 0.27 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.11 1dby h VAL 40 Cb 0.21 2.65 -0.04 0.00 -2.01 0.00 0.00 31.29 32.10 1dby h VAL 40 CO -0.02 0.51 0.45 1.62 -1.01 0.00 0.00 177.57 179.12 1dby h VAL 41 N -0.45 1.22 0.28 1.51 3.04 -0.54 0.87 116.25 122.19 1dby h VAL 41 Ca -0.02 -0.52 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1dby h VAL 41 Cb 0.95 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1dby h VAL 41 CO 0.05 0.24 -0.14 0.44 -1.01 0.00 0.00 177.57 177.15 1dby h ASP 42 N 1.08 -0.32 -0.83 3.17 3.32 -0.83 0.84 116.42 122.86 1dby h ASP 42 Ca 0.28 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1dby h ASP 42 Cb -0.01 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1dby h ASP 42 CO -0.05 0.04 0.54 1.05 -1.72 0.00 0.00 179.24 179.10 1dby h GLU 43 N -0.73 1.03 -0.51 3.56 4.11 -0.77 -0.17 114.58 121.11 1dby h GLU 43 Ca -0.04 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 59.40 1dby h GLU 43 Cb 0.49 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1dby h GLU 43 CO 0.06 0.68 0.19 0.82 0.07 0.00 0.00 179.01 180.83 1dby h ILE 44 N 1.06 0.84 -0.37 -1.06 1.08 -0.80 0.11 117.51 118.36 1dby h ILE 44 Ca 0.32 -0.13 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 1dby h ILE 44 Cb -0.03 0.43 -0.08 0.00 -3.07 0.00 0.00 36.82 34.07 1dby h ILE 44 CO -0.10 0.07 -0.16 0.00 -0.69 0.00 0.00 178.15 177.27 1dby h ALA 45 N 1.33 0.15 -0.42 1.87 0.00 0.72 0.89 119.26 123.80 1dby h ALA 45 Ca 0.24 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1dby h ALA 45 Cb 0.25 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1dby h ALA 45 CO -0.24 -0.52 -0.32 0.78 0.00 0.00 0.00 179.25 178.95 1dby h GLY 46 N -0.08 -0.21 0.92 0.00 0.00 0.80 0.34 103.07 104.83 1dby h GLY 46 Ca 0.19 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 1dby h GLY 46 CO -0.43 -0.21 -0.18 0.83 0.00 0.00 0.00 176.54 176.55 1dby h GLU 47 N -0.24 -0.48 -0.00 4.80 4.39 -0.13 -3.27 114.58 119.65 1dby h GLU 47 Ca 0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1dby h GLU 47 Cb 0.53 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1dby h GLU 47 CO -0.55 -0.27 -0.13 0.66 -1.16 0.00 0.00 179.01 177.56 1dby n TYR 48 N -5.27 0.00 -0.36 4.33 4.02 0.22 -4.56 117.16 115.55 1dby n TYR 48 Ca -0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.71 1dby n TYR 48 Cb 0.24 -0.34 -0.06 0.00 -0.02 0.00 0.00 39.34 39.17 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 -1.33 -0.34 -0.35 -0.72 4.81 0.12 -0.12 118.16 120.23 1dby n LYS 49 Ca 0.10 1.31 0.11 0.00 -0.87 0.00 0.00 58.31 58.96 1dby n LYS 49 Cb 0.31 -1.94 0.30 0.00 0.02 0.00 0.00 35.03 33.72 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 0.83 0.19 3.14 5.19 -1.85 -3.06 116.42 120.85 1dby h ASP 50 Ca 0.18 0.08 -0.35 0.00 -0.62 0.00 0.00 57.03 56.32 1dby h ASP 50 Cb 0.40 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 1dby h ASP 50 CO -0.83 0.34 -1.98 0.29 -3.12 0.00 0.00 179.24 173.94 1dby n LYS 51 N -4.72 0.72 -3.61 3.56 5.02 0.83 -5.02 118.16 114.95 1dby n LYS 51 Ca 0.22 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.61 1dby n LYS 51 Cb 0.51 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 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 -6.74 -0.42 0.26 -0.35 2.96 0.38 -4.23 118.68 110.54 1dby s LEU 52 Ca -0.19 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 1dby s LEU 52 Cb 0.07 2.27 -0.05 0.00 0.50 0.00 0.00 46.19 48.98 1dby s LEU 52 CO 0.77 -0.42 0.50 -0.75 -1.32 0.00 0.00 176.35 175.13 1dby s LYS 53 N -0.51 3.59 0.06 1.98 2.36 0.59 -3.05 119.74 124.76 1dby s LYS 53 Ca -0.06 -0.11 0.07 0.00 -2.55 0.00 0.00 55.97 53.31 1dby s LYS 53 Cb -0.03 -2.71 -0.03 0.00 -1.05 0.00 0.00 37.83 34.02 1dby s LYS 53 CO 0.05 0.28 -0.19 0.00 1.55 0.00 0.00 175.35 177.04 1dby s VAL 55 N -0.96 0.00 -0.15 0.00 -7.23 0.13 -1.16 120.40 111.04 1dby s VAL 55 Ca 0.05 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1dby s VAL 55 Cb -0.09 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.12 1dby s VAL 55 CO 0.02 -0.01 0.03 -0.54 -0.31 0.00 0.00 175.10 174.29 1dby s LYS 56 N -3.89 0.57 -0.32 4.82 1.02 0.06 -0.52 119.74 121.47 1dby s LYS 56 Ca 0.10 -0.19 -0.17 0.00 0.02 0.00 0.00 55.97 55.73 1dby s LYS 56 Cb -0.04 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 1dby s LYS 56 CO 0.02 -0.52 0.45 -1.17 -0.92 0.00 0.00 175.35 173.21 1dby s LEU 57 N 1.93 4.28 -0.39 3.17 0.20 0.38 -0.61 118.68 127.64 1dby s LEU 57 Ca 0.02 0.04 -0.29 0.00 0.69 0.00 0.00 54.13 54.58 1dby s LEU 57 Cb -0.15 -2.50 0.01 0.00 -0.43 0.00 0.00 46.19 43.12 1dby s LEU 57 CO -0.07 -0.36 1.35 0.21 -0.29 0.00 0.00 176.35 177.18 1dby s ASN 58 N 1.71 6.46 0.41 3.68 3.84 -1.20 -0.53 114.94 129.31 1dby s ASN 58 Ca 0.16 0.88 0.15 0.00 0.21 0.00 0.00 52.86 54.26 1dby s ASN 58 Cb -0.16 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 38.86 1dby s ASN 58 CO 0.12 -1.32 1.89 0.74 -2.79 0.00 0.00 177.10 175.74 1dby h THR 59 N 6.30 1.14 0.04 -5.21 2.02 -1.04 0.35 112.91 116.51 1dby h THR 59 Ca -0.27 -1.06 -0.26 0.00 0.77 0.00 0.00 66.41 65.59 1dby h THR 59 Cb 1.10 1.58 0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1dby h THR 59 CO 1.08 0.30 -1.08 -0.78 0.37 0.00 0.00 175.52 175.40 1dby h ASP 60 N 0.00 0.76 1.34 4.18 1.82 -1.90 -2.49 116.42 120.12 1dby h ASP 60 Ca -0.00 -0.64 -0.13 0.00 -0.39 0.00 0.00 57.03 55.87 1dby h ASP 60 Cb 0.56 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1dby h ASP 60 CO 0.04 1.45 -0.67 -0.08 -1.61 0.00 0.00 179.24 178.37 1dby h GLU 61 N 0.29 0.00 -1.67 0.28 4.57 -1.87 -3.36 114.58 112.82 1dby h GLU 61 Ca -0.13 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.43 1dby h GLU 61 Cb 1.74 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.93 1dby h GLU 61 CO 0.20 0.57 -0.48 0.43 -1.18 0.00 0.00 179.01 178.55 1dby n SER 62 N -3.22 5.06 0.17 1.04 7.64 0.12 -4.73 113.62 119.70 1dby n SER 62 Ca 0.01 -3.73 0.04 0.00 1.01 0.00 0.00 58.87 56.20 1dby n SER 62 Cb 0.78 -0.55 0.45 0.00 -1.01 0.00 0.00 64.21 63.88 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 2.70 0.12 0.49 1.43 0.13 -1.60 -1.33 132.00 133.94 1dby h PRO 63 Ca 0.32 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.40 1dby h PRO 63 Cb 0.76 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1dby h PRO 63 CO 0.92 0.27 -0.29 -0.91 -0.23 0.00 0.00 178.00 177.76 1dby h ASN 64 N 0.11 -0.71 -0.61 1.44 2.35 -1.88 0.25 115.58 116.54 1dby h ASN 64 Ca 0.02 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1dby h ASN 64 Cb 0.33 0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 1dby h ASN 64 CO 0.02 -0.45 0.33 0.58 -1.65 0.00 0.00 177.43 176.26 1dby h VAL 65 N -0.73 0.98 -0.60 2.81 2.07 -1.94 0.01 116.25 118.86 1dby h VAL 65 Ca -0.07 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.35 1dby h VAL 65 Cb 0.58 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1dby h VAL 65 CO 0.08 0.12 0.13 0.00 0.02 0.00 0.00 177.57 177.91 1dby h ALA 66 N 1.31 0.71 -0.29 1.67 0.00 -1.12 -0.73 119.26 120.81 1dby h ALA 66 Ca 0.27 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1dby h ALA 66 Cb 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1dby h ALA 66 CO -0.16 -0.31 -0.09 0.77 0.00 0.00 0.00 179.25 179.46 1dby h SER 67 N 0.26 0.58 -0.60 0.00 0.02 0.49 0.22 113.55 114.52 1dby h SER 67 Ca 0.32 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1dby h SER 67 Cb 0.47 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 1dby h SER 67 CO -0.40 0.83 0.21 -0.33 -1.14 0.00 0.00 176.83 176.00 1dby h GLU 68 N 0.32 0.38 0.07 3.45 5.08 -0.35 -2.34 114.58 121.20 1dby h GLU 68 Ca 0.07 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.16 1dby h GLU 68 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1dby h GLU 68 CO 0.03 0.25 -1.13 1.88 -1.00 0.00 0.00 179.01 179.05 1dby h TYR 69 N 0.39 0.32 -0.52 4.33 0.05 -1.09 -3.49 116.97 116.96 1dby h TYR 69 Ca 0.30 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1dby h TYR 69 Cb 0.38 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1dby h TYR 69 CO -0.17 1.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.51 1dby n GLY 70 N 1.40 0.49 3.56 3.88 0.00 0.56 -5.02 105.19 110.06 1dby n GLY 70 Ca -0.05 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.53 3.80 -0.06 -0.61 -1.09 0.10 -4.79 121.20 117.03 1dby s ILE 71 Ca 0.00 -0.32 0.14 0.00 -2.23 0.00 0.00 60.65 58.23 1dby s ILE 71 Cb 0.00 -4.89 0.01 0.00 -1.58 0.00 0.00 42.46 35.99 1dby s ILE 71 CO 0.00 -1.80 1.44 0.08 -1.23 0.00 0.00 174.94 173.43 1dby h ARG 72 N 10.19 0.00 -2.98 2.79 -0.00 -1.95 -3.47 114.38 118.96 1dby h ARG 72 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.99 1dby h ARG 72 Cb 1.03 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 30.88 1dby h ARG 72 CO 1.36 0.60 0.22 -1.12 -0.00 0.00 0.00 179.97 181.03 1dby s SER 73 N -6.52 -0.56 0.08 0.08 0.01 -1.26 -5.19 113.70 100.34 1dby s SER 73 Ca 0.03 -0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.23 1dby s SER 73 Cb 0.08 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.89 1dby s SER 73 CO 0.76 -0.96 0.09 0.27 0.41 0.00 0.00 173.24 173.80 1dby s ILE 74 N -3.73 0.17 0.70 1.44 -4.36 -1.26 -4.68 121.20 109.48 1dby s ILE 74 Ca 0.01 -1.53 -0.15 0.00 -0.26 0.00 0.00 60.65 58.72 1dby s ILE 74 Cb -0.01 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.22 1dby s ILE 74 CO -0.13 -0.77 1.16 -2.16 0.24 0.00 0.00 174.94 173.28 1dby s PRO 75 N -3.91 2.42 -0.27 0.37 0.04 -1.26 -4.90 135.00 127.49 1dby s PRO 75 Ca 0.08 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 1dby s PRO 75 Cb 0.06 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.87 1dby s PRO 75 CO -0.09 -1.58 0.38 0.99 0.04 0.00 0.00 177.00 176.74 1dby s THR 76 N -2.15 -0.59 -0.28 1.26 2.01 -1.22 -1.15 115.64 113.52 1dby s THR 76 Ca 0.71 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 1dby s THR 76 Cb -0.25 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1dby s THR 76 CO 0.44 -0.24 0.58 -0.63 -0.69 0.00 0.00 174.62 174.07 1dby s ILE 77 N 2.52 5.00 -0.18 1.82 1.01 0.07 -0.49 121.20 130.94 1dby s ILE 77 Ca 0.11 0.89 -0.07 0.00 0.00 0.00 0.00 60.65 61.57 1dby s ILE 77 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1dby s ILE 77 CO -0.25 -0.03 0.06 -0.04 0.00 0.00 0.00 174.94 174.68 1dby s MET 78 N 2.47 3.96 -0.34 2.79 -1.94 0.41 -0.24 119.30 126.41 1dby s MET 78 Ca 0.24 -0.35 -0.20 0.00 -1.71 0.00 0.00 55.69 53.67 1dby s MET 78 Cb -0.15 -3.22 -0.00 0.00 2.01 0.00 0.00 34.83 33.47 1dby s MET 78 CO 0.10 0.25 0.61 0.08 -0.01 0.00 0.00 175.02 176.06 1dby s VAL 79 N 0.42 4.93 0.36 -6.03 1.01 0.23 -0.63 120.40 120.69 1dby s VAL 79 Ca 0.03 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.74 1dby s VAL 79 Cb -0.12 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1dby s VAL 79 CO 0.00 -0.23 0.03 -0.36 0.00 0.00 0.00 175.10 174.54 1dby s PHE 80 N 2.61 2.54 0.00 5.22 0.08 0.36 -0.23 117.98 128.57 1dby s PHE 80 Ca 0.24 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1dby s PHE 80 Cb -0.15 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1dby s PHE 80 CO 0.13 0.44 0.00 0.36 -0.10 0.00 0.00 175.22 176.05 1dby n LYS 81 N -0.99 0.00 -0.93 0.44 0.00 -1.06 0.02 118.16 115.64 1dby n LYS 81 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.97 1dby n LYS 81 Cb 0.63 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.57 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 0.00 -0.26 5.00 2.58 0.00 -1.25 -3.48 105.19 107.78 1dby n GLY 82 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 4.43 1.25 3.97 -0.02 0.00 0.79 -4.86 105.19 110.75 1dby n GLY 83 Ca 0.41 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.19 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 2.32 0.40 1.61 -0.14 -1.23 -4.61 119.74 118.09 1dby s LYS 84 Ca 0.00 -1.78 -0.08 0.00 -1.36 0.00 0.00 55.97 52.75 1dby s LYS 84 Cb 0.00 -2.41 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 1dby s LYS 84 CO 0.00 -0.70 0.73 0.21 -0.76 0.00 0.00 175.35 174.83 1dby s LYS 85 N -4.47 3.70 -0.01 1.68 2.20 -1.26 -2.57 119.74 119.01 1dby s LYS 85 Ca 0.49 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.40 1dby s LYS 85 Cb -0.04 -2.44 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1dby s LYS 85 CO 0.31 -0.02 -0.02 0.00 -0.36 0.00 0.00 175.35 175.25 1dby s GLU 87 N -1.15 1.87 -0.04 0.00 0.41 -1.19 -5.02 118.70 113.59 1dby s GLU 87 Ca -0.02 -1.75 -0.20 0.00 -0.41 0.00 0.00 54.97 52.59 1dby s GLU 87 Cb 0.00 0.43 0.04 0.00 -1.78 0.00 0.00 34.13 32.82 1dby s GLU 87 CO 0.03 -0.77 0.43 -0.08 -0.49 0.00 0.00 175.26 174.38 1dby s THR 88 N -3.15 0.04 -0.30 3.63 -1.32 -1.26 -0.60 115.64 112.68 1dby s THR 88 Ca 0.31 -0.30 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 1dby s THR 88 Cb -0.00 -0.73 0.08 0.00 -1.51 0.00 0.00 72.50 70.34 1dby s THR 88 CO 0.20 -0.17 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.80 1dby s ILE 89 N -1.18 2.05 0.03 5.08 1.01 0.67 -4.98 121.20 123.88 1dby s ILE 89 Ca -0.12 -1.89 -0.19 0.00 0.00 0.00 0.00 60.65 58.45 1dby s ILE 89 Cb -0.04 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 40.01 1dby s ILE 89 CO 0.06 -0.34 0.56 -0.63 0.00 0.00 0.00 174.94 174.59 1dby s ILE 90 N 1.08 4.85 0.00 2.92 1.01 -1.26 -0.76 121.20 129.05 1dby s ILE 90 Ca 0.02 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1dby s ILE 90 Cb -0.19 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1dby s ILE 90 CO -0.08 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1dby n GLY 91 N 2.11 1.85 2.62 6.18 0.00 -0.30 -4.81 105.19 112.83 1dby n GLY 91 Ca -0.09 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 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 1.76 5.70 -1.82 4.61 0.00 -1.26 -4.81 120.51 124.69 1dby n ALA 92 Ca 0.00 -3.22 -0.33 0.00 0.00 0.00 0.00 53.44 49.89 1dby n ALA 92 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 19.45 16.02 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 3.18 4.33 0.61 0.00 -7.23 -1.26 -5.01 120.40 115.02 1dby s VAL 93 Ca 0.55 1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 61.93 1dby s VAL 93 Cb 0.15 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 1dby s VAL 93 CO -0.03 -0.36 1.12 -2.65 -0.31 0.00 0.00 175.10 172.87 1dby n PRO 94 N -0.83 1.07 -0.22 4.82 -0.02 -1.26 -4.81 135.00 133.76 1dby n PRO 94 Ca 0.07 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1dby n PRO 94 Cb 0.54 -2.33 0.13 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.62 0.36 -0.89 -0.52 1.63 -1.99 -0.17 116.57 115.61 1dby h LYS 95 Ca -0.49 -0.02 0.24 0.00 -0.85 0.00 0.00 60.65 59.52 1dby h LYS 95 Cb 1.35 -0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.76 1dby h LYS 95 CO 0.52 0.24 0.30 0.00 -3.45 0.00 0.00 179.45 177.06 1dby h ALA 96 N 1.47 1.37 0.13 5.00 0.00 -2.00 0.22 119.26 125.46 1dby h ALA 96 Ca 0.34 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1dby h ALA 96 Cb 0.47 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1dby h ALA 96 CO -0.36 -0.45 -0.06 1.15 0.00 0.00 0.00 179.25 179.52 1dby h THR 97 N 0.26 0.94 -0.02 0.00 2.02 -1.38 -2.60 112.91 112.13 1dby h THR 97 Ca 0.57 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.53 1dby h THR 97 Cb 1.15 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1dby h THR 97 CO -0.62 0.06 -0.15 0.40 0.37 0.00 0.00 175.52 175.58 1dby h ILE 98 N -0.29 0.62 -0.10 3.11 2.04 -0.68 -0.33 117.51 121.89 1dby h ILE 98 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1dby h ILE 98 Cb 0.23 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1dby h ILE 98 CO 0.03 0.00 -0.43 0.58 0.00 0.00 0.00 178.15 178.33 1dby h VAL 99 N -0.24 0.14 -0.29 1.67 2.07 -0.63 0.25 116.25 119.21 1dby h VAL 99 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1dby h VAL 99 Cb 0.32 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1dby h VAL 99 CO -0.16 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 178.98 1dby h GLN 100 N -0.51 0.07 -0.49 1.57 4.20 -1.27 0.01 115.11 118.69 1dby h GLN 100 Ca 0.07 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1dby h GLN 100 Cb 0.64 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1dby h GLN 100 CO -0.38 0.05 0.24 1.15 -0.67 0.00 0.00 178.83 179.22 1dby h THR 101 N 0.08 0.95 0.23 -0.54 2.02 -0.29 -0.23 112.91 115.12 1dby h THR 101 Ca 0.14 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1dby h THR 101 Cb 0.19 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1dby h THR 101 CO -0.24 0.09 -0.11 0.58 0.37 0.00 0.00 175.52 176.21 1dby h VAL 102 N 0.47 0.81 -0.94 3.16 2.07 0.02 -2.99 116.25 118.85 1dby h VAL 102 Ca 0.22 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.69 1dby h VAL 102 Cb 0.13 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 1dby h VAL 102 CO -0.16 0.04 0.60 -0.33 0.02 0.00 0.00 177.57 177.74 1dby h GLU 103 N -0.39 0.78 -0.70 1.57 5.08 -0.64 0.37 114.58 120.65 1dby h GLU 103 Ca -0.03 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1dby h GLU 103 Cb 0.30 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1dby h GLU 103 CO 0.05 0.51 0.47 -0.22 -1.00 0.00 0.00 179.01 178.83 1dby h LYS 104 N 0.80 0.34 0.00 2.33 3.64 -0.89 -3.38 116.57 119.41 1dby h LYS 104 Ca 0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1dby h LYS 104 Cb 0.66 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1dby h LYS 104 CO -0.24 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 177.83 1dby n TYR 105 N -4.46 0.00 0.00 1.91 4.01 0.85 -4.99 117.16 114.48 1dby n TYR 105 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1dby n TYR 105 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.70 0.00 -0.22 7.72 4.77 0.94 -5.11 117.00 123.40 1dby n LEU 106 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1dby n LEU 106 Cb 0.00 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 41.85 1dby n LEU 106 CO 0.00 0.00 1.00 -3.20 -1.33 0.00 0.00 177.39 173.86