#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 -0.24 -6.89 2.12 3.07 -1.96 -3.42 114.58 107.26 1dby h GLU 2 Ca 0.00 0.02 -0.51 0.00 -0.50 0.00 0.00 59.36 58.37 1dby h GLU 2 Cb 0.00 0.05 0.05 0.00 -0.84 0.00 0.00 28.75 28.01 1dby h GLU 2 CO 0.00 0.15 0.53 0.00 -1.40 0.00 0.00 179.01 178.30 1dby s ALA 3 N -4.26 3.32 0.11 3.43 0.00 -1.26 -4.65 121.76 118.44 1dby s ALA 3 Ca -0.14 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1dby s ALA 3 Cb 0.01 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1dby s ALA 3 CO 0.54 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1dby n GLY 4 N 0.82 1.62 3.04 0.00 0.00 -0.12 -4.88 105.19 105.67 1dby n GLY 4 Ca 0.02 -2.04 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.21 0.80 0.16 4.61 0.00 -1.26 -1.31 121.76 122.55 1dby s ALA 5 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1dby s ALA 5 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1dby s ALA 5 CO 0.00 0.17 0.06 0.14 0.00 0.00 0.00 175.76 176.13 1dby s VAL 6 N -0.40 0.24 0.20 0.00 -7.23 0.10 -4.81 120.40 108.48 1dby s VAL 6 Ca 0.02 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1dby s VAL 6 Cb -0.05 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1dby s VAL 6 CO -0.00 -0.38 0.16 0.21 -0.31 0.00 0.00 175.10 174.79 1dby s ASN 7 N -3.11 0.14 0.30 4.85 3.84 -1.26 -2.45 114.94 117.26 1dby s ASN 7 Ca 0.27 -1.30 0.03 0.00 0.21 0.00 0.00 52.86 52.07 1dby s ASN 7 Cb 0.07 0.39 0.78 0.00 -0.55 0.00 0.00 41.25 41.95 1dby s ASN 7 CO 0.04 -0.86 1.52 -0.67 -2.79 0.00 0.00 177.10 174.34 1dby n ASP 8 N -0.26 -0.08 0.00 -4.21 2.03 -1.26 -0.20 116.55 112.57 1dby n ASP 8 Ca 0.00 1.64 0.00 0.00 0.52 0.00 0.00 54.79 56.95 1dby n ASP 8 Cb 0.65 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 -5.42 0.00 -0.24 1.67 2.03 -1.26 -3.66 116.55 109.67 1dby n ASP 9 Ca 0.24 0.97 -0.01 0.00 0.52 0.00 0.00 54.79 56.51 1dby n ASP 9 Cb 0.78 -0.47 0.19 0.00 -0.72 0.00 0.00 41.12 40.90 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 1.22 -0.97 5.18 1.35 -1.73 -2.99 112.91 114.97 1dby h THR 10 Ca 0.00 -0.52 0.27 0.00 -0.55 0.00 0.00 66.41 65.62 1dby h THR 10 Cb 0.00 0.15 -0.18 0.00 -1.73 0.00 0.00 68.15 66.39 1dby h THR 10 CO 0.00 0.24 0.05 0.33 -0.25 0.00 0.00 175.52 175.89 1dby n PHE 11 N -4.37 0.65 -0.11 4.73 7.35 0.72 -0.89 117.46 125.54 1dby n PHE 11 Ca 0.08 1.16 -0.05 0.00 -0.76 0.00 0.00 57.45 57.89 1dby n PHE 11 Cb 0.08 -1.25 -0.04 0.00 0.35 0.00 0.00 39.48 38.63 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 -0.06 -0.09 -4.13 1.79 -1.59 0.30 116.57 112.78 1dby h LYS 12 Ca 0.60 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.97 1dby h LYS 12 Cb 1.27 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1dby h LYS 12 CO -0.90 -0.04 -0.36 -0.91 -1.08 0.00 0.00 179.45 176.15 1dby h ASN 13 N -0.07 0.48 -0.20 0.86 -0.26 -1.32 -0.22 115.58 114.86 1dby h ASN 13 Ca 0.04 -0.63 -0.16 0.00 -0.56 0.00 0.00 56.30 54.99 1dby h ASN 13 Cb 0.18 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1dby h ASN 13 CO -0.29 1.03 -0.47 0.58 -1.06 0.00 0.00 177.43 177.22 1dby h VAL 14 N -0.04 1.29 0.00 2.81 2.07 -0.95 -3.28 116.25 118.15 1dby h VAL 14 Ca -0.02 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1dby h VAL 14 Cb 1.00 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1dby h VAL 14 CO 0.08 0.54 -0.03 0.52 0.02 0.00 0.00 177.57 178.69 1dby n VAL 15 N -4.02 0.07 -0.04 2.57 0.31 0.10 -4.31 118.33 113.02 1dby n VAL 15 Ca -0.03 0.28 -0.08 0.00 -0.01 0.00 0.00 64.34 64.50 1dby n VAL 15 Cb 0.57 -1.32 -0.02 0.00 -0.91 0.00 0.00 33.84 32.16 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 -0.03 -0.35 -1.77 7.52 3.38 -0.97 -1.15 115.31 121.94 1dby h LEU 16 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1dby h LEU 16 Cb 0.03 0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1dby h LEU 16 CO 0.00 -0.14 0.00 -0.62 0.09 0.00 0.00 178.44 177.77 1dby n GLU 17 N -5.26 2.33 -2.15 1.13 1.02 -0.13 -0.49 120.64 117.09 1dby n GLU 17 Ca -0.02 -1.23 -0.33 0.00 -0.02 0.00 0.00 57.16 55.57 1dby n GLU 17 Cb 0.18 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.52 5.97 -0.14 1.62 0.15 -0.44 -4.93 113.70 115.42 1dby s SER 18 Ca 0.22 1.79 -0.08 0.00 0.70 0.00 0.00 55.95 58.57 1dby s SER 18 Cb 0.15 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1dby s SER 18 CO 0.09 -1.04 -0.05 0.77 1.20 0.00 0.00 173.24 174.21 1dby h SER 19 N 0.62 0.00 -4.36 5.45 4.64 -1.91 -3.39 113.55 114.60 1dby h SER 19 Ca -0.47 -0.09 -0.51 0.00 -0.47 0.00 0.00 61.79 60.25 1dby h SER 19 Cb 1.21 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.38 1dby h SER 19 CO 0.58 0.76 0.40 0.68 -0.87 0.00 0.00 176.83 178.38 1dby s VAL 20 N -2.05 4.20 1.05 0.95 -7.23 -1.26 -4.81 120.40 111.25 1dby s VAL 20 Ca -0.12 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 60.64 1dby s VAL 20 Cb 0.02 -3.61 0.19 0.00 0.56 0.00 0.00 36.38 33.54 1dby s VAL 20 CO 0.21 -0.93 0.91 -2.65 -0.31 0.00 0.00 175.10 172.32 1dby n PRO 21 N -2.96 -1.40 -3.59 4.82 -0.02 -1.26 -4.79 135.00 125.80 1dby n PRO 21 Ca 0.07 -0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.03 1dby n PRO 21 Cb 0.54 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.48 -0.37 -0.68 -1.45 1.01 0.88 -0.25 120.40 117.06 1dby s VAL 22 Ca 0.66 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 1dby s VAL 22 Cb -0.23 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1dby s VAL 22 CO 0.63 -0.01 0.95 -0.22 0.00 0.00 0.00 175.10 176.45 1dby s LEU 23 N 2.37 4.59 -0.41 3.92 2.96 0.41 -0.24 118.68 132.28 1dby s LEU 23 Ca 0.04 -1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 1dby s LEU 23 Cb -0.14 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.17 1dby s LEU 23 CO -0.10 -1.36 0.41 -0.69 -1.32 0.00 0.00 176.35 173.29 1dby s VAL 24 N 3.73 5.12 -0.34 1.68 1.01 0.11 -0.51 120.40 131.20 1dby s VAL 24 Ca 0.22 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 1dby s VAL 24 Cb -0.16 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1dby s VAL 24 CO 0.07 -0.37 0.70 -0.62 0.00 0.00 0.00 175.10 174.89 1dby s ASP 25 N 1.78 6.51 -0.44 3.32 2.15 0.44 -0.52 116.67 129.91 1dby s ASP 25 Ca 0.11 0.32 -0.29 0.00 0.43 0.00 0.00 52.55 53.12 1dby s ASP 25 Cb -0.17 -2.36 0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1dby s ASP 25 CO 0.13 -0.62 1.12 -0.36 -0.17 0.00 0.00 175.17 175.27 1dby s PHE 26 N 2.85 2.88 0.08 -5.34 0.40 -0.06 -0.55 117.98 118.25 1dby s PHE 26 Ca 0.28 0.81 0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1dby s PHE 26 Cb -0.14 -4.28 -0.00 0.00 0.51 0.00 0.00 43.02 39.11 1dby s PHE 26 CO 0.15 -1.17 0.03 -2.67 0.70 0.00 0.00 175.22 172.26 1dby n TRP 27 N 7.64 0.02 -3.59 0.36 4.27 -0.01 -3.49 117.44 122.64 1dby n TRP 27 Ca 0.12 -0.51 -0.09 0.00 -3.89 0.00 0.00 57.50 53.13 1dby n TRP 27 Cb 0.49 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.39 1dby n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby s ALA 28 N -2.22 -1.97 0.25 -1.67 0.00 -1.26 -0.31 121.76 114.58 1dby s ALA 28 Ca 0.04 1.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 1dby s ALA 28 Cb 0.00 -0.85 0.44 0.00 0.00 0.00 0.00 23.12 22.71 1dby s ALA 28 CO 0.03 -0.31 1.80 -1.00 0.00 0.00 0.00 175.76 176.28 1dby h PRO 29 N 2.44 0.74 0.00 0.00 0.13 -2.01 0.29 132.00 133.59 1dby h PRO 29 Ca -0.16 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1dby h PRO 29 Cb 1.17 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1dby h PRO 29 CO 0.29 0.49 -0.03 0.11 -0.23 0.00 0.00 178.00 178.63 1dby h TRP 30 N 0.76 0.00 -0.80 1.56 5.08 -2.05 -3.40 115.95 117.11 1dby h TRP 30 Ca 0.42 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.86 1dby h TRP 30 Cb 0.44 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.53 1dby h TRP 30 CO -0.06 0.03 1.60 0.00 -1.28 0.00 0.00 178.44 178.73 1dby h GLY 32 N 14.53 -0.42 2.00 0.00 0.00 -1.83 0.21 103.07 117.55 1dby h GLY 32 Ca 0.30 0.66 -0.00 0.00 0.00 0.00 0.00 47.33 48.28 1dby h GLY 32 CO 1.37 -0.08 -0.00 -0.56 0.00 0.00 0.00 176.54 177.26 1dby h PRO 33 N -0.04 0.00 0.00 4.80 0.13 -1.89 -1.75 132.00 133.25 1dby h PRO 33 Ca 0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1dby h PRO 33 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1dby h PRO 33 CO -0.92 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 176.73 1dby h ARG 35 N -1.00 -0.00 0.00 0.00 2.43 -0.36 0.28 114.38 115.72 1dby h ARG 35 Ca -0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1dby h ARG 35 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1dby h ARG 35 CO -0.00 -0.00 -0.15 -0.84 -1.51 0.00 0.00 179.97 177.46 1dby h ILE 36 N -0.00 0.34 0.05 1.20 -0.00 -1.53 -3.20 117.51 114.36 1dby h ILE 36 Ca 0.38 -1.01 -0.32 0.00 -0.00 0.00 0.00 64.86 63.91 1dby h ILE 36 Cb 0.63 1.77 -0.04 0.00 -0.00 0.00 0.00 36.82 39.19 1dby h ILE 36 CO -1.00 0.15 -1.83 -0.38 -0.00 0.00 0.00 178.15 175.09 1dby n ILE 37 N -3.25 1.67 -0.33 0.16 2.08 0.47 -4.48 119.36 115.68 1dby n ILE 37 Ca 0.01 -0.74 0.23 0.00 0.56 0.00 0.00 62.75 62.81 1dby n ILE 37 Cb 0.43 -1.29 0.43 0.00 -0.75 0.00 0.00 39.64 38.47 1dby n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1dby n ALA 38 N -2.73 0.76 -0.04 -1.39 0.00 0.67 -0.00 120.51 117.78 1dby n ALA 38 Ca -0.23 1.04 -0.06 0.00 0.00 0.00 0.00 53.44 54.19 1dby n ALA 38 Cb 1.05 -0.89 0.14 0.00 0.00 0.00 0.00 19.45 19.75 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 0.65 -0.31 0.00 0.11 -1.78 -1.30 132.00 129.37 1dby h PRO 39 Ca 0.72 -0.25 -0.18 0.00 0.11 0.00 0.00 66.00 66.40 1dby h PRO 39 Cb 1.72 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.80 1dby h PRO 39 CO -0.85 0.82 -0.50 0.28 -0.21 0.00 0.00 178.00 177.54 1dby h VAL 40 N 0.57 1.27 -0.43 3.15 2.07 -0.69 -0.33 116.25 121.87 1dby h VAL 40 Ca 0.08 -1.68 0.07 0.00 0.82 0.00 0.00 66.70 65.99 1dby h VAL 40 Cb 0.69 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 1dby h VAL 40 CO 0.05 0.55 0.09 0.58 0.02 0.00 0.00 177.57 178.86 1dby h VAL 41 N 0.68 0.78 0.32 2.57 2.07 -0.26 0.25 116.25 122.67 1dby h VAL 41 Ca 0.03 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1dby h VAL 41 Cb 1.10 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1dby h VAL 41 CO 0.11 0.04 -0.15 -0.78 0.02 0.00 0.00 177.57 176.81 1dby h ASP 42 N 0.23 -0.36 -0.82 0.57 1.82 -0.86 0.74 116.42 117.74 1dby h ASP 42 Ca 0.21 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1dby h ASP 42 Cb 0.25 0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.31 1dby h ASP 42 CO -0.26 -0.24 0.47 1.05 -1.61 0.00 0.00 179.24 178.64 1dby h GLU 43 N -0.45 1.13 -0.74 0.28 4.11 -0.84 -0.72 114.58 117.35 1dby h GLU 43 Ca -0.04 -0.12 0.03 0.00 0.07 0.00 0.00 59.36 59.29 1dby h GLU 43 Cb 0.34 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1dby h GLU 43 CO 0.07 0.82 0.47 0.82 0.07 0.00 0.00 179.01 181.26 1dby h ILE 44 N 1.13 1.13 -0.53 -1.06 2.04 -0.76 0.20 117.51 119.66 1dby h ILE 44 Ca 0.29 -0.32 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1dby h ILE 44 Cb 0.00 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 1dby h ILE 44 CO -0.05 0.17 0.15 0.00 0.00 0.00 0.00 178.15 178.42 1dby h ALA 45 N 1.30 0.63 -0.22 1.87 0.00 0.24 -1.94 119.26 121.15 1dby h ALA 45 Ca 0.29 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.35 1dby h ALA 45 Cb -0.02 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1dby h ALA 45 CO -0.10 -0.26 -0.20 0.78 0.00 0.00 0.00 179.25 179.47 1dby h GLY 46 N 0.30 -0.10 -0.26 0.00 0.00 0.34 0.71 103.07 104.06 1dby h GLY 46 Ca 0.26 0.25 0.24 0.00 0.00 0.00 0.00 47.33 48.09 1dby h GLY 46 CO -0.31 -0.18 0.46 0.83 0.00 0.00 0.00 176.54 177.33 1dby h GLU 47 N -0.21 0.40 -0.43 4.80 5.08 -0.25 -1.08 114.58 122.88 1dby h GLU 47 Ca 0.13 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.22 1dby h GLU 47 Cb 0.41 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.42 1dby h GLU 47 CO -0.34 0.27 -0.09 0.66 -1.00 0.00 0.00 179.01 178.50 1dby n TYR 48 N -5.02 1.36 -1.22 4.33 4.01 -0.87 -5.06 117.16 114.69 1dby n TYR 48 Ca 0.25 -1.74 -0.35 0.00 -0.16 0.00 0.00 57.90 55.90 1dby n TYR 48 Cb 0.73 -0.54 0.10 0.00 -0.31 0.00 0.00 39.34 39.33 1dby n TYR 48 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1dby n LYS 49 N -1.09 0.32 0.00 -0.72 3.00 0.19 -1.77 118.16 118.09 1dby n LYS 49 Ca 0.36 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1dby n LYS 49 Cb 1.03 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.81 1dby n LYS 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dby n ASP 50 N -2.14 0.00 0.07 3.14 8.00 -1.26 -4.35 116.55 120.01 1dby n ASP 50 Ca 0.13 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.75 1dby n ASP 50 Cb 0.50 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.07 1dby n ASP 50 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1dby n LYS 51 N 0.00 0.17 -3.65 -1.24 4.01 -1.19 -4.65 118.16 111.60 1dby n LYS 51 Ca 0.00 0.18 -0.09 0.00 -0.51 0.00 0.00 58.31 57.89 1dby n LYS 51 Cb 0.00 -1.71 -0.10 0.00 -0.51 0.00 0.00 35.03 32.71 1dby n LYS 51 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1dby s LEU 52 N -4.02 -0.61 0.75 -0.35 2.96 -0.73 -4.24 118.68 112.44 1dby s LEU 52 Ca 0.11 0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 54.84 1dby s LEU 52 Cb 0.14 1.28 0.05 0.00 0.50 0.00 0.00 46.19 48.16 1dby s LEU 52 CO 0.54 -0.23 1.12 -0.54 -1.32 0.00 0.00 176.35 175.91 1dby s LYS 53 N 2.59 2.36 -0.03 1.98 -0.14 0.66 -4.35 119.74 122.82 1dby s LYS 53 Ca -0.01 0.19 -0.10 0.00 -1.36 0.00 0.00 55.97 54.69 1dby s LYS 53 Cb -0.12 -2.02 0.01 0.00 -1.68 0.00 0.00 37.83 34.02 1dby s LYS 53 CO -0.12 -1.30 0.22 0.00 -0.76 0.00 0.00 175.35 173.38 1dby s VAL 55 N -0.99 0.03 -0.23 0.00 1.01 0.33 -0.95 120.40 119.61 1dby s VAL 55 Ca -0.11 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1dby s VAL 55 Cb -0.05 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.16 1dby s VAL 55 CO 0.02 -0.13 -0.06 -0.54 0.00 0.00 0.00 175.10 174.39 1dby s LYS 56 N -3.80 1.64 -0.40 2.72 1.02 -0.42 -0.42 119.74 120.07 1dby s LYS 56 Ca 0.04 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 54.86 1dby s LYS 56 Cb -0.00 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1dby s LYS 56 CO -0.10 -0.58 0.71 -1.17 -0.92 0.00 0.00 175.35 173.30 1dby s LEU 57 N 1.41 4.27 -0.43 3.17 1.98 0.29 -0.73 118.68 128.65 1dby s LEU 57 Ca -0.05 0.03 -0.28 0.00 -2.89 0.00 0.00 54.13 50.94 1dby s LEU 57 Cb -0.18 -2.88 -0.00 0.00 0.66 0.00 0.00 46.19 43.78 1dby s LEU 57 CO -0.06 -0.75 1.61 0.21 -1.89 0.00 0.00 176.35 175.47 1dby s ASN 58 N 1.94 6.00 0.19 3.68 3.84 -1.02 -0.83 114.94 128.74 1dby s ASN 58 Ca 0.27 0.87 -0.12 0.00 0.21 0.00 0.00 52.86 54.09 1dby s ASN 58 Cb -0.13 -2.53 0.12 0.00 -0.55 0.00 0.00 41.25 38.15 1dby s ASN 58 CO 0.18 -1.70 1.84 0.74 -2.79 0.00 0.00 177.10 175.38 1dby h THR 59 N 6.64 1.19 -0.18 -5.21 2.02 -0.96 0.30 112.91 116.70 1dby h THR 59 Ca -0.30 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 1dby h THR 59 Cb 1.13 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1dby h THR 59 CO 1.10 0.19 -0.34 -0.78 0.37 0.00 0.00 175.52 176.05 1dby h ASP 60 N 0.90 0.39 1.21 4.18 3.58 -1.90 -0.49 116.42 124.29 1dby h ASP 60 Ca 0.24 -0.15 -0.16 0.00 0.42 0.00 0.00 57.03 57.38 1dby h ASP 60 Cb -0.05 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1dby h ASP 60 CO -0.05 0.71 -0.80 -0.08 -2.88 0.00 0.00 179.24 176.14 1dby h GLU 61 N 0.33 0.00 -1.67 0.28 4.57 -1.83 -3.38 114.58 112.87 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 0.75 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.93 1dby h GLU 61 CO 0.06 0.71 -0.78 0.43 -1.18 0.00 0.00 179.01 178.26 1dby n SER 62 N -3.26 4.17 0.15 1.04 7.64 0.10 -4.69 113.62 118.77 1dby n SER 62 Ca -0.00 -3.58 0.03 0.00 1.01 0.00 0.00 58.87 56.33 1dby n SER 62 Cb 0.84 -0.50 0.42 0.00 -1.01 0.00 0.00 64.21 63.97 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 2.74 0.16 0.05 1.43 0.13 -1.29 -2.57 132.00 132.65 1dby h PRO 63 Ca 0.21 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1dby h PRO 63 Cb 0.85 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 1dby h PRO 63 CO 0.79 0.32 -0.53 -0.91 -0.23 0.00 0.00 178.00 177.44 1dby h ASN 64 N 0.15 -1.62 0.36 1.44 2.35 -1.87 0.23 115.58 116.61 1dby h ASN 64 Ca 0.03 0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1dby h ASN 64 Cb 0.37 0.61 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 1dby h ASN 64 CO 0.02 -0.54 -0.29 0.58 -1.65 0.00 0.00 177.43 175.56 1dby h VAL 65 N -0.71 0.40 -0.78 2.81 2.07 -1.88 -0.35 116.25 117.82 1dby h VAL 65 Ca 0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1dby h VAL 65 Cb 0.74 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 1dby h VAL 65 CO -0.33 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.46 1dby h ALA 66 N -0.10 1.03 0.02 1.67 0.00 -1.26 0.67 119.26 121.29 1dby h ALA 66 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dby h ALA 66 Cb 0.57 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1dby h ALA 66 CO -0.01 -0.36 -0.01 0.77 0.00 0.00 0.00 179.25 179.64 1dby h SER 67 N 0.27 -0.02 -0.67 0.00 0.02 -0.07 0.28 113.55 113.36 1dby h SER 67 Ca 0.45 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1dby h SER 67 Cb 0.80 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 1dby h SER 67 CO -0.54 0.26 0.37 -0.33 -1.14 0.00 0.00 176.83 175.45 1dby h GLU 68 N -0.30 0.66 0.05 3.45 4.39 -0.08 -2.67 114.58 120.07 1dby h GLU 68 Ca -0.00 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.43 1dby h GLU 68 Cb 0.29 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1dby h GLU 68 CO 0.00 0.43 -1.06 1.88 -1.16 0.00 0.00 179.01 179.10 1dby h TYR 69 N 0.68 0.22 -0.53 4.33 0.05 -0.88 -3.49 116.97 117.36 1dby h TYR 69 Ca 0.30 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1dby h TYR 69 Cb 0.20 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1dby h TYR 69 CO -0.08 1.09 0.00 0.41 -1.05 0.00 0.00 178.16 178.53 1dby n GLY 70 N 1.33 0.89 3.23 3.88 0.00 0.68 -5.09 105.19 110.11 1dby n GLY 70 Ca -0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.07 1dby n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dby s ILE 71 N -2.18 1.32 0.00 -0.61 1.01 0.52 -5.02 121.20 116.25 1dby s ILE 71 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1dby s ILE 71 Cb 0.00 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1dby s ILE 71 CO 0.00 -0.30 0.00 -1.14 0.00 0.00 0.00 174.94 173.50 1dby n ARG 72 N 0.87 0.00 -1.79 2.79 0.63 -1.26 -4.42 116.66 113.48 1dby n ARG 72 Ca -0.18 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.39 1dby n ARG 72 Cb 0.55 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.52 1dby n ARG 72 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1dby s SER 73 N -2.25 4.77 0.04 6.15 1.04 -1.26 -5.05 113.70 117.14 1dby s SER 73 Ca 0.00 2.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.78 1dby s SER 73 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1dby s SER 73 CO 0.00 -1.88 0.18 0.27 0.98 0.00 0.00 173.24 172.79 1dby s ILE 74 N -1.64 0.11 0.63 -1.02 -4.36 -1.26 -4.58 121.20 109.08 1dby s ILE 74 Ca 0.78 -0.92 -0.18 0.00 -0.26 0.00 0.00 60.65 60.07 1dby s ILE 74 Cb -0.32 -0.90 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1dby s ILE 74 CO 0.38 -0.51 1.21 -2.16 0.24 0.00 0.00 174.94 174.10 1dby s PRO 75 N -2.56 2.77 -0.29 0.37 0.04 -1.26 -4.78 135.00 129.28 1dby s PRO 75 Ca -0.05 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1dby s PRO 75 Cb -0.01 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.81 1dby s PRO 75 CO -0.04 -1.36 0.51 0.99 0.04 0.00 0.00 177.00 177.15 1dby s THR 76 N -1.72 -0.85 -0.25 1.26 2.01 -1.23 -2.99 115.64 111.88 1dby s THR 76 Ca 0.76 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 1dby s THR 76 Cb -0.30 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1dby s THR 76 CO 0.36 -0.12 0.16 -0.51 -0.69 0.00 0.00 174.62 173.83 1dby s ILE 77 N 2.71 5.23 -0.02 1.82 2.07 0.44 -0.88 121.20 132.57 1dby s ILE 77 Ca 0.10 0.14 -0.00 0.00 -1.41 0.00 0.00 60.65 59.48 1dby s ILE 77 Cb -0.11 -3.45 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 1dby s ILE 77 CO -0.27 0.32 0.04 -0.04 -1.91 0.00 0.00 174.94 173.07 1dby s MET 78 N 1.31 2.95 -0.56 3.50 -1.94 0.32 -0.41 119.30 124.47 1dby s MET 78 Ca 0.07 -0.51 -0.18 0.00 -1.71 0.00 0.00 55.69 53.35 1dby s MET 78 Cb -0.14 -2.78 0.10 0.00 2.01 0.00 0.00 34.83 34.01 1dby s MET 78 CO 0.07 0.65 0.64 0.08 -0.01 0.00 0.00 175.02 176.44 1dby s VAL 79 N -1.10 4.92 0.25 -6.03 1.01 0.32 -0.72 120.40 119.06 1dby s VAL 79 Ca 0.20 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1dby s VAL 79 Cb -0.12 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1dby s VAL 79 CO 0.10 -0.99 0.45 -0.36 0.00 0.00 0.00 175.10 174.30 1dby s PHE 80 N 2.43 3.48 0.00 5.22 0.08 0.66 -0.09 117.98 129.76 1dby s PHE 80 Ca 0.10 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1dby s PHE 80 Cb -0.24 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1dby s PHE 80 CO 0.07 0.29 0.00 0.36 -0.10 0.00 0.00 175.22 175.84 1dby n LYS 81 N -1.04 0.00 -1.02 0.44 0.00 -1.08 -0.09 118.16 115.38 1dby n LYS 81 Ca -0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.04 1dby n LYS 81 Cb 0.55 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.45 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 -0.34 5.24 2.58 0.00 -1.26 -3.83 105.19 107.59 1dby n GLY 82 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 4.13 0.87 3.90 -0.02 0.00 0.36 -4.85 105.19 109.58 1dby n GLY 83 Ca 0.45 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 46.54 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 1.99 0.37 1.61 1.02 -1.25 -4.55 119.74 118.93 1dby s LYS 84 Ca 0.00 0.13 -0.04 0.00 0.02 0.00 0.00 55.97 56.08 1dby s LYS 84 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1dby s LYS 84 CO 0.00 -1.58 0.64 -1.59 -0.92 0.00 0.00 175.35 171.90 1dby s LYS 85 N -5.56 3.59 -0.05 1.68 -2.85 -1.26 -2.63 119.74 112.67 1dby s LYS 85 Ca 0.62 0.04 -0.09 0.00 -1.00 0.00 0.00 55.97 55.54 1dby s LYS 85 Cb -0.11 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 33.09 1dby s LYS 85 CO 0.49 0.05 -0.18 0.00 0.10 0.00 0.00 175.35 175.81 1dby s GLU 87 N -2.42 1.91 0.20 0.00 0.41 -1.24 -4.99 118.70 112.57 1dby s GLU 87 Ca -0.15 -2.16 -0.22 0.00 -0.41 0.00 0.00 54.97 52.03 1dby s GLU 87 Cb 0.02 -0.33 0.05 0.00 -1.78 0.00 0.00 34.13 32.09 1dby s GLU 87 CO 0.22 -0.55 0.66 -0.08 -0.49 0.00 0.00 175.26 175.01 1dby s THR 88 N -3.26 0.00 0.02 3.63 -1.32 -1.26 -0.52 115.64 112.93 1dby s THR 88 Ca 0.27 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 1dby s THR 88 Cb 0.02 -1.38 -0.02 0.00 -1.51 0.00 0.00 72.50 69.62 1dby s THR 88 CO 0.18 0.00 -0.05 -0.63 -2.21 0.00 0.00 174.62 171.91 1dby s ILE 89 N -3.78 0.37 0.05 5.08 1.01 0.45 -4.98 121.20 119.40 1dby s ILE 89 Ca 0.05 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1dby s ILE 89 Cb -0.03 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1dby s ILE 89 CO -0.05 -0.24 -0.08 -0.63 0.00 0.00 0.00 174.94 173.93 1dby s ILE 90 N -0.95 0.59 0.00 2.92 1.09 -1.26 -0.42 121.20 123.17 1dby s ILE 90 Ca -0.07 -1.19 0.00 0.00 -1.10 0.00 0.00 60.65 58.29 1dby s ILE 90 Cb -0.07 -0.75 0.00 0.00 -1.06 0.00 0.00 42.46 40.58 1dby s ILE 90 CO -0.00 -0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.02 1dby n GLY 91 N 1.29 -2.25 2.79 6.18 0.00 -1.16 -4.65 105.19 107.38 1dby n GLY 91 Ca -0.22 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.28 5.00 -1.78 4.61 0.00 -1.26 -4.88 120.51 120.93 1dby n ALA 92 Ca 0.00 -3.49 -0.37 0.00 0.00 0.00 0.00 53.44 49.58 1dby n ALA 92 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 19.45 15.89 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 3.67 4.08 0.80 0.00 -7.23 -1.26 -5.00 120.40 115.45 1dby s VAL 93 Ca 0.52 1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 62.28 1dby s VAL 93 Cb 0.14 -3.96 0.01 0.00 0.56 0.00 0.00 36.38 33.13 1dby s VAL 93 CO -0.02 0.14 0.68 -2.65 -0.31 0.00 0.00 175.10 172.94 1dby n PRO 94 N 0.51 0.15 -0.28 4.82 -0.02 -1.26 -4.63 135.00 134.29 1dby n PRO 94 Ca 0.02 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 1dby n PRO 94 Cb 0.50 -2.00 0.25 0.00 -0.02 0.00 0.00 33.50 32.23 1dby n PRO 94 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1dby h LYS 95 N -0.76 0.39 -0.41 -0.52 2.10 -1.97 -0.14 116.57 115.26 1dby h LYS 95 Ca -0.45 -0.02 0.08 0.00 -2.00 0.00 0.00 60.65 58.25 1dby h LYS 95 Cb 1.32 -0.09 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1dby h LYS 95 CO 0.42 0.25 -0.04 0.00 -2.00 0.00 0.00 179.45 178.08 1dby h ALA 96 N 1.64 0.33 -0.31 0.07 0.00 -1.99 0.21 119.26 119.22 1dby h ALA 96 Ca 0.49 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 1dby h ALA 96 Cb 0.85 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1dby h ALA 96 CO -0.49 -0.42 0.10 1.15 0.00 0.00 0.00 179.25 179.59 1dby h THR 97 N 0.06 1.20 0.11 0.00 2.02 -1.40 -2.07 112.91 112.84 1dby h THR 97 Ca 0.20 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1dby h THR 97 Cb 0.30 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1dby h THR 97 CO -0.37 0.22 -0.27 0.40 0.37 0.00 0.00 175.52 175.86 1dby h ILE 98 N 0.34 0.40 -0.09 3.11 2.04 -0.26 0.28 117.51 123.33 1dby h ILE 98 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1dby h ILE 98 Cb 0.25 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1dby h ILE 98 CO -0.00 0.00 -0.43 0.58 0.00 0.00 0.00 178.15 178.30 1dby h VAL 99 N -0.48 0.13 -0.46 1.67 2.07 -0.56 0.30 116.25 118.92 1dby h VAL 99 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1dby h VAL 99 Cb 0.51 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1dby h VAL 99 CO -0.16 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.11 1dby h GLN 100 N -0.53 0.26 -0.64 1.57 4.20 -1.13 0.51 115.11 119.35 1dby h GLN 100 Ca 0.06 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1dby h GLN 100 Cb 0.64 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1dby h GLN 100 CO -0.38 0.17 0.18 1.15 -0.67 0.00 0.00 178.83 179.28 1dby h THR 101 N 0.27 1.25 0.10 -0.54 2.02 -0.31 0.74 112.91 116.44 1dby h THR 101 Ca 0.23 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 1dby h THR 101 Cb 0.27 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1dby h THR 101 CO -0.27 0.34 -0.05 0.58 0.37 0.00 0.00 175.52 176.49 1dby h VAL 102 N 0.93 0.91 -0.06 3.16 2.07 0.26 -0.43 116.25 123.10 1dby h VAL 102 Ca 0.20 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.72 1dby h VAL 102 Cb 0.33 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1dby h VAL 102 CO -0.00 0.01 -0.07 -0.33 0.02 0.00 0.00 177.57 177.19 1dby h GLU 103 N -0.14 -0.09 -0.59 1.57 5.08 -0.68 0.51 114.58 120.24 1dby h GLU 103 Ca -0.01 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1dby h GLU 103 Cb 0.11 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 1dby h GLU 103 CO 0.02 -0.06 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.60 1dby h LYS 104 N -0.09 -0.01 0.00 2.33 3.64 -0.65 -0.20 116.57 121.59 1dby h LYS 104 Ca 0.05 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1dby h LYS 104 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1dby h LYS 104 CO -0.12 -0.01 -0.18 1.88 -2.27 0.00 0.00 179.45 178.75 1dby h TYR 105 N -0.01 0.00 -1.48 1.91 0.05 -0.41 -3.42 116.97 113.60 1dby h TYR 105 Ca 0.28 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.79 1dby h TYR 105 Cb 0.44 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 37.94 1dby h TYR 105 CO -0.50 0.18 -0.63 -1.17 -1.05 0.00 0.00 178.16 175.00 1dby s LEU 106 N -6.44 -0.58 0.00 3.88 1.98 0.17 -5.04 118.68 112.66 1dby s LEU 106 Ca 0.03 -1.82 0.00 0.00 -2.89 0.00 0.00 54.13 49.45 1dby s LEU 106 Cb 0.08 1.15 0.00 0.00 0.66 0.00 0.00 46.19 48.07 1dby s LEU 106 CO 0.65 -0.14 0.00 -3.20 -1.89 0.00 0.00 176.35 171.77