#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 0.44 -6.65 2.12 5.08 -1.95 -3.40 114.58 110.22 1dby h GLU 2 Ca 0.00 -0.16 -0.51 0.00 -1.00 0.00 0.00 59.36 57.68 1dby h GLU 2 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1dby h GLU 2 CO 0.00 0.66 0.44 0.00 -1.00 0.00 0.00 179.01 179.11 1dby s ALA 3 N -4.81 3.34 0.94 3.43 0.00 -1.26 -4.87 121.76 118.53 1dby s ALA 3 Ca -0.14 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1dby s ALA 3 Cb 0.07 -3.32 0.15 0.00 0.00 0.00 0.00 23.12 20.02 1dby s ALA 3 CO 0.75 -0.13 1.10 0.20 0.00 0.00 0.00 175.76 177.68 1dby s GLY 4 N -0.18 1.59 -0.14 0.00 0.00 -0.07 -4.79 107.32 103.73 1dby s GLY 4 Ca 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1dby s GLY 4 CO 0.34 0.31 -0.14 0.00 0.00 0.00 0.00 173.10 173.60 1dby s ALA 5 N -2.99 2.56 0.24 3.20 0.00 -1.26 -0.42 121.76 123.10 1dby s ALA 5 Ca 0.64 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1dby s ALA 5 Cb -0.18 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1dby s ALA 5 CO 0.57 0.14 -0.02 0.14 0.00 0.00 0.00 175.76 176.59 1dby s VAL 6 N 0.53 1.19 0.24 0.00 -7.23 0.17 -4.91 120.40 110.40 1dby s VAL 6 Ca -0.09 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.00 1dby s VAL 6 Cb -0.16 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1dby s VAL 6 CO 0.04 -0.31 0.25 0.21 -0.31 0.00 0.00 175.10 174.97 1dby s ASN 7 N -3.34 0.40 0.27 4.85 3.84 -1.26 -2.34 114.94 117.36 1dby s ASN 7 Ca 0.29 -1.37 -0.07 0.00 0.21 0.00 0.00 52.86 51.91 1dby s ASN 7 Cb 0.05 0.47 0.45 0.00 -0.55 0.00 0.00 41.25 41.68 1dby s ASN 7 CO 0.10 -0.97 1.50 -0.67 -2.79 0.00 0.00 177.10 174.27 1dby n ASP 8 N -0.58 -0.34 0.00 -4.21 2.03 -1.26 -0.16 116.55 112.03 1dby n ASP 8 Ca 0.02 1.66 0.00 0.00 0.52 0.00 0.00 54.79 56.99 1dby n ASP 8 Cb 0.64 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -5.56 0.00 -0.31 1.67 2.03 -1.26 -3.73 116.55 109.39 1dby n ASP 9 Ca 0.16 0.73 0.11 0.00 0.52 0.00 0.00 54.79 56.31 1dby n ASP 9 Cb 0.49 -0.30 0.28 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.62 -1.00 5.18 1.35 -1.85 -0.35 112.91 116.87 1dby h THR 10 Ca 0.00 -0.19 0.36 0.00 -0.55 0.00 0.00 66.41 66.02 1dby h THR 10 Cb 0.00 0.01 -0.18 0.00 -1.73 0.00 0.00 68.15 66.25 1dby h THR 10 CO 0.00 0.10 0.31 0.33 -0.25 0.00 0.00 175.52 176.02 1dby n PHE 11 N -4.92 0.94 0.43 4.73 7.35 0.78 -0.29 117.46 126.48 1dby n PHE 11 Ca 0.20 1.19 -0.18 0.00 -0.76 0.00 0.00 57.45 57.90 1dby n PHE 11 Cb 0.55 -1.43 -0.09 0.00 0.35 0.00 0.00 39.48 38.86 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 -1.06 -0.24 -4.13 1.57 -1.14 0.52 116.57 112.09 1dby h LYS 12 Ca 0.74 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.57 1dby h LYS 12 Cb 1.81 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 34.35 1dby h LYS 12 CO -0.84 -0.69 0.05 -0.91 -0.57 0.00 0.00 179.45 176.48 1dby h ASN 13 N -1.19 0.31 0.34 0.86 -0.26 -1.22 0.46 115.58 114.88 1dby h ASN 13 Ca -0.11 -0.03 -0.32 0.00 -0.56 0.00 0.00 56.30 55.28 1dby h ASN 13 Cb 0.85 -0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.98 1dby h ASN 13 CO 0.18 0.33 -1.92 0.52 -1.06 0.00 0.00 177.43 175.49 1dby n VAL 14 N -4.39 1.55 0.00 2.81 0.31 0.60 -4.35 118.33 114.87 1dby n VAL 14 Ca 0.01 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1dby n VAL 14 Cb 0.16 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1dby n VAL 14 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1dby n VAL 15 N -2.97 0.00 -0.14 2.52 0.31 0.18 -4.48 118.33 113.75 1dby n VAL 15 Ca -0.22 0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.10 1dby n VAL 15 Cb 1.08 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 33.00 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 -1.31 -0.06 7.52 3.38 -1.09 0.62 115.31 124.36 1dby h LEU 16 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1dby h LEU 16 Cb 0.00 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dby h LEU 16 CO 0.00 -0.35 0.00 -0.62 0.09 0.00 0.00 178.44 177.56 1dby n GLU 17 N -5.42 1.04 -2.33 1.13 1.02 0.12 -4.20 120.64 112.00 1dby n GLU 17 Ca 0.01 -0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.70 1dby n GLU 17 Cb 0.35 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.20 6.70 -0.10 1.62 0.15 0.21 -4.94 113.70 116.14 1dby s SER 18 Ca 0.11 2.34 -0.02 0.00 0.70 0.00 0.00 55.95 59.08 1dby s SER 18 Cb 0.05 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1dby s SER 18 CO 0.08 -0.55 -0.03 0.77 1.20 0.00 0.00 173.24 174.71 1dby h SER 19 N 2.91 0.00 -4.40 5.45 4.64 -1.91 -1.96 113.55 118.28 1dby h SER 19 Ca -0.48 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.34 1dby h SER 19 Cb 1.23 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.39 1dby h SER 19 CO 0.64 0.52 0.41 0.68 -0.87 0.00 0.00 176.83 178.20 1dby s VAL 20 N -1.64 3.95 0.96 0.95 -7.23 -1.26 -4.29 120.40 111.83 1dby s VAL 20 Ca -0.03 0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 60.65 1dby s VAL 20 Cb 0.00 -3.58 0.03 0.00 0.56 0.00 0.00 36.38 33.40 1dby s VAL 20 CO 0.04 -0.83 0.36 -2.65 -0.31 0.00 0.00 175.10 171.71 1dby n PRO 21 N -2.96 -0.33 -3.89 4.82 -0.02 -0.95 -4.40 135.00 127.27 1dby n PRO 21 Ca 0.07 -0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.38 1dby n PRO 21 Cb 0.56 -1.82 -0.11 0.00 -0.02 0.00 0.00 33.50 32.10 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 -2.38 0.07 -0.22 -1.45 1.01 0.49 -0.67 120.40 117.25 1dby s VAL 22 Ca 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1dby s VAL 22 Cb -0.21 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1dby s VAL 22 CO 0.68 -0.32 -0.04 -0.22 0.00 0.00 0.00 175.10 175.19 1dby s LEU 23 N -1.07 2.23 -0.08 3.92 0.20 0.22 -0.51 118.68 123.58 1dby s LEU 23 Ca -0.12 -1.05 -0.01 0.00 0.69 0.00 0.00 54.13 53.65 1dby s LEU 23 Cb -0.07 -1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 44.60 1dby s LEU 23 CO 0.01 -0.24 -0.02 0.68 -0.29 0.00 0.00 176.35 176.49 1dby s VAL 24 N 1.49 4.12 -0.22 1.68 -7.23 0.00 0.23 120.40 120.47 1dby s VAL 24 Ca -0.04 -0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.77 1dby s VAL 24 Cb -0.18 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1dby s VAL 24 CO -0.07 0.60 -0.04 -0.62 -0.31 0.00 0.00 175.10 174.66 1dby s ASP 25 N -0.84 4.33 -0.37 4.85 2.15 0.03 -0.58 116.67 126.23 1dby s ASP 25 Ca 0.13 -0.38 -0.29 0.00 0.43 0.00 0.00 52.55 52.44 1dby s ASP 25 Cb -0.11 -1.74 0.02 0.00 -0.30 0.00 0.00 42.92 40.78 1dby s ASP 25 CO 0.02 -0.01 1.14 -0.36 -0.17 0.00 0.00 175.17 175.79 1dby s PHE 26 N 1.43 2.94 0.10 -5.34 0.40 0.17 -0.68 117.98 117.01 1dby s PHE 26 Ca 0.05 0.97 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 1dby s PHE 26 Cb -0.14 -3.99 -0.00 0.00 0.51 0.00 0.00 43.02 39.39 1dby s PHE 26 CO -0.03 -1.12 0.02 -2.67 0.70 0.00 0.00 175.22 172.13 1dby n TRP 27 N 7.38 0.10 -3.58 0.36 4.27 0.00 -3.45 117.44 122.53 1dby n TRP 27 Ca 0.13 -0.58 -0.09 0.00 -3.89 0.00 0.00 57.50 53.07 1dby n TRP 27 Cb 0.48 -0.02 -0.04 0.00 -1.36 0.00 0.00 31.31 30.36 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 -2.23 -1.95 0.25 -1.67 0.00 -1.26 -0.54 121.76 114.36 1dby s ALA 28 Ca 0.03 1.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 1dby s ALA 28 Cb 0.00 -0.58 0.49 0.00 0.00 0.00 0.00 23.12 23.03 1dby s ALA 28 CO 0.02 -0.39 1.77 -1.00 0.00 0.00 0.00 175.76 176.16 1dby h PRO 29 N 2.36 0.61 0.00 0.00 0.13 -2.01 0.16 132.00 133.24 1dby h PRO 29 Ca -0.17 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1dby h PRO 29 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1dby h PRO 29 CO 0.29 0.40 0.00 -2.67 -0.23 0.00 0.00 178.00 175.79 1dby n TRP 30 N -4.87 0.48 -2.47 1.56 4.27 -1.26 -4.47 117.44 110.68 1dby n TRP 30 Ca 0.16 0.20 -0.40 0.00 -3.89 0.00 0.00 57.50 53.56 1dby n TRP 30 Cb 0.39 -0.81 -0.01 0.00 -1.36 0.00 0.00 31.31 29.52 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 13.69 -0.35 1.58 0.00 0.00 -1.83 0.82 103.07 116.98 1dby h GLY 32 Ca 0.38 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.38 1dby h GLY 32 CO 1.41 -0.12 0.15 -0.56 0.00 0.00 0.00 176.54 177.41 1dby h PRO 33 N -0.09 0.00 -0.06 4.80 0.13 -1.93 -1.23 132.00 133.62 1dby h PRO 33 Ca 0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.34 1dby h PRO 33 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1dby h PRO 33 CO -0.86 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 176.83 1dby h ARG 35 N -0.30 0.11 0.00 0.00 9.65 0.04 0.42 114.38 124.30 1dby h ARG 35 Ca 0.01 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1dby h ARG 35 Cb 0.60 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1dby h ARG 35 CO 0.02 0.07 -0.04 -0.84 2.80 0.00 0.00 179.97 181.98 1dby h ILE 36 N 0.11 0.09 0.00 1.20 -0.00 -1.45 -2.91 117.51 114.56 1dby h ILE 36 Ca 0.31 -0.65 -0.26 0.00 -0.00 0.00 0.00 64.86 64.26 1dby h ILE 36 Cb 0.49 1.59 -0.04 0.00 -0.00 0.00 0.00 36.82 38.86 1dby h ILE 36 CO -0.51 0.04 -1.62 2.30 -0.00 0.00 0.00 178.15 178.35 1dby n ILE 37 N -3.14 1.50 -0.34 0.16 -5.35 -0.41 -4.54 119.36 107.24 1dby n ILE 37 Ca 0.01 -0.77 0.12 0.00 -0.27 0.00 0.00 62.75 61.84 1dby n ILE 37 Cb 0.34 -0.97 0.25 0.00 -1.74 0.00 0.00 39.64 37.53 1dby n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dby n ALA 38 N -2.51 0.43 -0.31 -1.28 0.00 0.00 0.17 120.51 117.02 1dby n ALA 38 Ca -0.15 1.05 -0.03 0.00 0.00 0.00 0.00 53.44 54.31 1dby n ALA 38 Cb 0.99 -0.73 0.12 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.19 0.00 0.11 -1.80 0.09 132.00 131.41 1dby h PRO 39 Ca 0.56 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.49 1dby h PRO 39 Cb 1.10 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1dby h PRO 39 CO -0.93 0.87 -0.07 0.28 -0.21 0.00 0.00 178.00 177.94 1dby h VAL 40 N 1.21 1.30 -0.86 3.15 2.07 -0.56 -0.02 116.25 122.53 1dby h VAL 40 Ca 0.31 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 66.88 1dby h VAL 40 Cb 0.01 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 1dby h VAL 40 CO -0.05 0.32 0.47 0.58 0.02 0.00 0.00 177.57 178.91 1dby h VAL 41 N 0.08 0.79 0.34 2.57 2.07 -0.25 0.12 116.25 121.97 1dby h VAL 41 Ca 0.04 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dby h VAL 41 Cb 0.53 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1dby h VAL 41 CO 0.02 0.13 -0.17 0.44 0.02 0.00 0.00 177.57 178.01 1dby h ASP 42 N 0.70 -0.39 -0.81 0.57 3.32 -0.79 -2.55 116.42 116.46 1dby h ASP 42 Ca 0.46 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.59 1dby h ASP 42 Cb 0.58 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 1dby h ASP 42 CO -0.33 -0.21 0.48 1.05 -1.72 0.00 0.00 179.24 178.52 1dby h GLU 43 N -0.60 0.84 0.00 3.56 4.11 -0.74 0.15 114.58 121.90 1dby h GLU 43 Ca -0.05 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 1dby h GLU 43 Cb 0.35 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1dby h GLU 43 CO 0.08 0.55 -0.09 0.82 0.07 0.00 0.00 179.01 180.45 1dby h ILE 44 N 0.86 0.69 -0.73 -1.06 2.04 -0.87 0.03 117.51 118.47 1dby h ILE 44 Ca 0.37 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1dby h ILE 44 Cb 0.23 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1dby h ILE 44 CO -0.20 0.08 0.46 0.00 0.00 0.00 0.00 178.15 178.50 1dby h ALA 45 N 1.91 0.95 -0.25 1.87 0.00 -0.25 0.36 119.26 123.86 1dby h ALA 45 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dby h ALA 45 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dby h ALA 45 CO 0.01 0.27 0.16 0.78 0.00 0.00 0.00 179.25 180.47 1dby h GLY 46 N 0.92 0.35 0.84 0.00 0.00 -0.86 -1.34 103.07 102.97 1dby h GLY 46 Ca 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1dby h GLY 46 CO -0.10 0.13 -0.05 0.83 0.00 0.00 0.00 176.54 177.35 1dby h GLU 47 N 0.33 -0.08 -1.04 4.80 4.39 -0.71 -2.93 114.58 119.34 1dby h GLU 47 Ca 0.09 0.01 -0.49 0.00 0.34 0.00 0.00 59.36 59.30 1dby h GLU 47 Cb -0.02 0.02 -0.26 0.00 -0.10 0.00 0.00 28.75 28.38 1dby h GLU 47 CO -0.02 -0.05 0.63 0.66 -1.16 0.00 0.00 179.01 179.07 1dby n TYR 48 N -5.17 2.70 -0.50 4.33 4.01 0.05 -5.00 117.16 117.59 1dby n TYR 48 Ca -0.06 -2.01 -0.28 0.00 -0.16 0.00 0.00 57.90 55.38 1dby n TYR 48 Cb 0.10 -1.01 0.26 0.00 -0.31 0.00 0.00 39.34 38.38 1dby n TYR 48 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1dby s LYS 49 N -2.99 -0.98 0.00 -0.72 -2.85 -0.51 -2.25 119.74 109.43 1dby s LYS 49 Ca 0.51 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 1dby s LYS 49 Cb 0.42 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 34.65 1dby s LYS 49 CO 0.06 -3.79 0.00 -3.47 0.10 0.00 0.00 175.35 168.25 1dby n ASP 50 N -4.97 0.00 -0.07 0.03 2.03 -1.26 -4.24 116.55 108.07 1dby n ASP 50 Ca 0.03 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.20 1dby n ASP 50 Cb 0.54 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.81 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dby h LYS 51 N 0.00 -0.00 -4.47 -0.67 1.57 -1.91 -3.43 116.57 107.65 1dby h LYS 51 Ca 0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 1dby h LYS 51 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 1dby h LYS 51 CO 0.00 0.96 -0.47 -1.17 -0.57 0.00 0.00 179.45 178.20 1dby s LEU 52 N -8.28 5.10 -0.76 2.94 2.96 -0.96 -2.24 118.68 117.44 1dby s LEU 52 Ca -0.19 -1.40 -0.27 0.00 -0.22 0.00 0.00 54.13 52.06 1dby s LEU 52 Cb -0.03 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1dby s LEU 52 CO 0.68 -0.52 1.35 -0.75 -1.32 0.00 0.00 176.35 175.79 1dby s LYS 53 N 1.46 3.18 0.18 1.98 2.36 0.15 -4.55 119.74 124.50 1dby s LYS 53 Ca 0.03 -0.26 -0.30 0.00 -2.55 0.00 0.00 55.97 52.89 1dby s LYS 53 Cb -0.22 -4.32 -0.08 0.00 -1.05 0.00 0.00 37.83 32.16 1dby s LYS 53 CO 0.03 -2.21 0.97 0.00 1.55 0.00 0.00 175.35 175.69 1dby s VAL 55 N -0.59 0.07 -0.10 0.00 1.01 0.13 -0.90 120.40 120.02 1dby s VAL 55 Ca 0.44 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1dby s VAL 55 Cb -0.25 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1dby s VAL 55 CO 0.32 -0.31 -0.01 -0.54 0.00 0.00 0.00 175.10 174.56 1dby s LYS 56 N -3.91 0.84 -0.24 2.72 1.02 0.44 -0.79 119.74 119.82 1dby s LYS 56 Ca 0.12 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.93 1dby s LYS 56 Cb 0.02 -1.29 -0.05 0.00 -0.52 0.00 0.00 37.83 35.99 1dby s LYS 56 CO -0.04 -0.34 0.19 -1.17 -0.92 0.00 0.00 175.35 173.07 1dby s LEU 57 N 1.89 4.10 -0.44 3.17 2.96 0.15 -0.65 118.68 129.86 1dby s LEU 57 Ca 0.04 0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 1dby s LEU 57 Cb -0.13 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.42 1dby s LEU 57 CO -0.06 0.03 1.45 0.21 -1.32 0.00 0.00 176.35 176.66 1dby s ASN 58 N 1.17 6.25 0.23 3.68 3.84 -0.99 -0.82 114.94 128.31 1dby s ASN 58 Ca 0.08 0.76 -0.03 0.00 0.21 0.00 0.00 52.86 53.89 1dby s ASN 58 Cb -0.14 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.27 1dby s ASN 58 CO 0.06 -1.52 1.66 0.74 -2.79 0.00 0.00 177.10 175.26 1dby h THR 59 N 6.49 1.27 -0.50 -5.21 2.02 -1.11 0.22 112.91 116.08 1dby h THR 59 Ca -0.28 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.52 1dby h THR 59 Cb 1.11 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1dby h THR 59 CO 1.10 0.43 -0.07 -0.78 0.37 0.00 0.00 175.52 176.57 1dby h ASP 60 N 0.63 0.89 1.25 4.18 1.82 -1.90 -1.51 116.42 121.78 1dby h ASP 60 Ca 0.09 -0.26 -0.13 0.00 -0.39 0.00 0.00 57.03 56.34 1dby h ASP 60 Cb 0.69 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1dby h ASP 60 CO 0.05 0.99 -0.78 -0.08 -1.61 0.00 0.00 179.24 177.81 1dby h GLU 61 N 0.82 0.00 -1.67 0.28 4.57 -1.89 -3.37 114.58 113.31 1dby h GLU 61 Ca 0.14 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.76 1dby h GLU 61 Cb 0.58 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.76 1dby h GLU 61 CO 0.04 0.47 -0.77 0.45 -1.18 0.00 0.00 179.01 178.01 1dby n SER 62 N -3.14 4.21 0.26 1.04 2.88 0.76 -4.71 113.62 114.93 1dby n SER 62 Ca -0.01 -3.59 0.12 0.00 -1.33 0.00 0.00 58.87 54.05 1dby n SER 62 Cb 0.77 -0.50 0.73 0.00 -0.75 0.00 0.00 64.21 64.47 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 2.73 0.00 0.32 -1.46 0.13 -1.46 -2.54 132.00 129.72 1dby h PRO 63 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1dby h PRO 63 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1dby h PRO 63 CO 0.80 0.10 -0.35 -0.91 -0.23 0.00 0.00 178.00 177.41 1dby h ASN 64 N 0.00 -0.96 -0.11 1.44 2.35 -1.89 0.17 115.58 116.57 1dby h ASN 64 Ca -0.00 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1dby h ASN 64 Cb 0.24 0.32 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 1dby h ASN 64 CO 0.01 -0.45 -0.11 0.58 -1.65 0.00 0.00 177.43 175.81 1dby h VAL 65 N -0.67 0.69 -0.73 2.81 2.07 -1.92 -0.44 116.25 118.06 1dby h VAL 65 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1dby h VAL 65 Cb 0.59 0.69 -0.13 0.00 -1.52 0.00 0.00 31.29 30.93 1dby h VAL 65 CO -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.52 1dby h ALA 66 N 0.94 0.72 -0.06 1.67 0.00 -1.25 0.95 119.26 122.23 1dby h ALA 66 Ca 0.08 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dby h ALA 66 Cb 0.25 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dby h ALA 66 CO -0.19 -0.42 -0.01 0.77 0.00 0.00 0.00 179.25 179.39 1dby h SER 67 N 0.09 0.12 -0.49 0.00 0.02 -0.02 0.19 113.55 113.46 1dby h SER 67 Ca 0.39 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1dby h SER 67 Cb 0.67 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 1dby h SER 67 CO -0.65 0.46 0.14 -0.33 -1.14 0.00 0.00 176.83 175.32 1dby h GLU 68 N -0.22 0.29 0.03 3.45 5.08 -0.04 -2.52 114.58 120.66 1dby h GLU 68 Ca 0.02 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1dby h GLU 68 Cb 0.41 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1dby h GLU 68 CO 0.01 0.19 -1.03 1.88 -1.00 0.00 0.00 179.01 179.06 1dby h TYR 69 N 0.30 0.12 -1.34 4.33 -1.99 -0.88 -3.49 116.97 114.02 1dby h TYR 69 Ca 0.24 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1dby h TYR 69 Cb 0.29 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1dby h TYR 69 CO -0.19 1.05 0.00 0.41 -0.00 0.00 0.00 178.16 179.43 1dby n GLY 70 N 1.33 0.56 3.57 3.88 0.00 0.48 -4.96 105.19 110.04 1dby n GLY 70 Ca -0.02 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.30 3.70 -1.31 -0.61 -1.09 -0.03 -4.86 121.20 114.70 1dby s ILE 71 Ca 0.00 -0.98 -0.17 0.00 -2.23 0.00 0.00 60.65 57.26 1dby s ILE 71 Cb 0.00 -4.64 0.03 0.00 -1.58 0.00 0.00 42.46 36.27 1dby s ILE 71 CO 0.00 -1.35 1.92 -1.14 -1.23 0.00 0.00 174.94 173.14 1dby n ARG 72 N 8.54 2.84 0.00 2.79 0.63 -1.26 -4.75 116.66 125.44 1dby n ARG 72 Ca 0.43 -2.91 0.00 0.00 -0.92 0.00 0.00 57.85 54.45 1dby n ARG 72 Cb 0.47 -3.42 0.00 0.00 0.45 0.00 0.00 32.46 29.96 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 8.24 0.00 -4.10 6.15 7.64 -1.26 -4.93 113.62 125.36 1dby n SER 73 Ca 0.50 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.26 1dby n SER 73 Cb 0.44 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.38 0.57 0.46 0.44 -4.36 -1.26 -4.37 121.20 110.30 1dby s ILE 74 Ca 0.00 -1.38 -0.23 0.00 -0.26 0.00 0.00 60.65 58.77 1dby s ILE 74 Cb 0.00 -0.99 -0.07 0.00 1.25 0.00 0.00 42.46 42.65 1dby s ILE 74 CO 0.00 -0.57 1.21 -2.16 0.24 0.00 0.00 174.94 173.66 1dby s PRO 75 N -2.41 3.71 -0.13 0.37 0.04 -1.26 -4.77 135.00 130.54 1dby s PRO 75 Ca -0.02 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1dby s PRO 75 Cb -0.04 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1dby s PRO 75 CO -0.02 -0.62 0.07 0.99 0.04 0.00 0.00 177.00 177.46 1dby s THR 76 N -1.47 -0.04 -0.11 1.26 2.01 -1.22 -0.83 115.64 115.24 1dby s THR 76 Ca 0.64 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.53 1dby s THR 76 Cb -0.31 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1dby s THR 76 CO 0.38 -0.13 0.20 -0.51 -0.69 0.00 0.00 174.62 173.87 1dby s ILE 77 N 2.12 5.40 0.02 1.82 -1.16 0.22 -0.66 121.20 128.97 1dby s ILE 77 Ca 0.03 0.34 0.05 0.00 -0.51 0.00 0.00 60.65 60.55 1dby s ILE 77 Cb -0.15 -3.48 -0.02 0.00 0.61 0.00 0.00 42.46 39.43 1dby s ILE 77 CO -0.07 0.58 -0.14 -0.04 -2.81 0.00 0.00 174.94 172.46 1dby s MET 78 N -0.77 0.99 -0.09 3.50 -1.94 0.25 -0.84 119.30 120.40 1dby s MET 78 Ca 0.16 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.45 1dby s MET 78 Cb -0.13 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.69 1dby s MET 78 CO 0.05 0.25 -0.02 0.08 -0.01 0.00 0.00 175.02 175.38 1dby s VAL 79 N -0.68 4.16 -0.05 -6.03 1.01 0.31 -0.82 120.40 118.31 1dby s VAL 79 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1dby s VAL 79 Cb -0.07 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1dby s VAL 79 CO 0.01 0.60 -0.16 -0.36 0.00 0.00 0.00 175.10 175.18 1dby s PHE 80 N -0.77 1.65 -0.14 5.22 0.40 0.33 -0.01 117.98 124.66 1dby s PHE 80 Ca 0.12 -0.50 0.19 0.00 -0.60 0.00 0.00 56.93 56.14 1dby s PHE 80 Cb -0.11 -1.12 -0.27 0.00 0.51 0.00 0.00 43.02 42.02 1dby s PHE 80 CO 0.02 -0.18 0.20 0.36 0.70 0.00 0.00 175.22 176.32 1dby n LYS 81 N 3.25 0.74 -2.74 0.44 0.00 -0.92 -0.38 118.16 118.55 1dby n LYS 81 Ca -0.19 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.31 57.97 1dby n LYS 81 Cb 0.53 -1.50 0.06 0.00 -0.00 0.00 0.00 35.03 34.11 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 1.63 0.06 5.00 2.58 0.00 -1.26 -3.28 105.19 109.92 1dby n GLY 82 Ca -0.23 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.38 1.32 3.86 -0.02 0.00 -0.74 -4.89 105.19 106.11 1dby n GLY 83 Ca 0.08 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1dby n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dby s LYS 84 N 0.00 3.73 0.85 1.61 -0.14 -1.26 -3.96 119.74 120.58 1dby s LYS 84 Ca 0.00 0.84 -0.10 0.00 -1.36 0.00 0.00 55.97 55.35 1dby s LYS 84 Cb 0.00 -2.10 0.10 0.00 -1.68 0.00 0.00 37.83 34.15 1dby s LYS 84 CO 0.00 -0.45 1.11 0.21 -0.76 0.00 0.00 175.35 175.46 1dby s LYS 85 N -4.71 1.59 0.07 1.68 2.20 -1.26 -2.17 119.74 117.14 1dby s LYS 85 Ca 0.57 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1dby s LYS 85 Cb -0.11 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1dby s LYS 85 CO 0.44 -2.15 0.00 0.00 -0.36 0.00 0.00 175.35 173.28 1dby s GLU 87 N -1.38 1.42 0.02 0.00 0.41 -1.20 -5.00 118.70 112.97 1dby s GLU 87 Ca 0.00 -1.78 -0.28 0.00 -0.41 0.00 0.00 54.97 52.49 1dby s GLU 87 Cb 0.00 0.12 0.07 0.00 -1.78 0.00 0.00 34.13 32.55 1dby s GLU 87 CO 0.00 -0.44 0.67 -0.08 -0.49 0.00 0.00 175.26 174.92 1dby s THR 88 N -3.85 0.00 0.03 3.63 -1.32 -1.26 -0.53 115.64 112.34 1dby s THR 88 Ca 0.38 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.89 1dby s THR 88 Cb 0.06 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1dby s THR 88 CO 0.16 0.00 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.86 1dby s ILE 89 N -2.07 0.65 0.01 5.08 -1.09 -0.02 -4.99 121.20 118.77 1dby s ILE 89 Ca -0.06 -0.83 0.07 0.00 -2.23 0.00 0.00 60.65 57.59 1dby s ILE 89 Cb -0.00 -0.64 -0.02 0.00 -1.58 0.00 0.00 42.46 40.22 1dby s ILE 89 CO 0.02 -0.15 -0.20 -0.63 -1.23 0.00 0.00 174.94 172.74 1dby s ILE 90 N -0.91 1.60 0.00 2.92 1.01 -1.26 -0.61 121.20 123.96 1dby s ILE 90 Ca -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1dby s ILE 90 Cb -0.07 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1dby s ILE 90 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1dby n GLY 91 N 2.27 2.71 2.24 6.18 0.00 -0.01 -4.82 105.19 113.75 1dby n GLY 91 Ca -0.16 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 0.66 4.95 -1.79 4.61 0.00 -1.26 -4.62 120.51 123.07 1dby n ALA 92 Ca 0.00 -1.56 -0.36 0.00 0.00 0.00 0.00 53.44 51.52 1dby n ALA 92 Cb 0.00 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 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 1.94 4.22 0.55 0.00 -7.23 -1.26 -5.00 120.40 113.62 1dby s VAL 93 Ca 0.47 1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 62.16 1dby s VAL 93 Cb 0.20 -3.90 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 1dby s VAL 93 CO -0.01 0.03 1.12 -2.65 -0.31 0.00 0.00 175.10 173.28 1dby n PRO 94 N 0.26 1.25 -0.09 4.82 -0.02 -1.26 -4.83 135.00 135.14 1dby n PRO 94 Ca 0.03 0.47 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1dby n PRO 94 Cb 0.51 -2.30 0.42 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.99 0.56 -0.71 -0.52 1.63 -1.95 -0.34 116.57 116.23 1dby h LYS 95 Ca -0.49 -0.03 0.15 0.00 -0.85 0.00 0.00 60.65 59.43 1dby h LYS 95 Cb 1.34 -0.13 -0.10 0.00 -0.60 0.00 0.00 32.23 32.74 1dby h LYS 95 CO 0.54 0.37 0.20 0.00 -3.45 0.00 0.00 179.45 177.11 1dby h ALA 96 N 1.68 0.93 -0.12 5.00 0.00 -1.99 0.30 119.26 125.07 1dby h ALA 96 Ca 0.24 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1dby h ALA 96 Cb 0.23 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dby h ALA 96 CO -0.07 -0.30 0.02 1.15 0.00 0.00 0.00 179.25 180.05 1dby h THR 97 N 0.31 0.94 -0.12 0.00 2.02 -1.40 -1.15 112.91 113.52 1dby h THR 97 Ca 0.39 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.57 1dby h THR 97 Cb 0.64 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1dby h THR 97 CO -0.46 0.01 0.00 0.40 0.37 0.00 0.00 175.52 175.84 1dby h ILE 98 N 0.07 0.92 -0.19 3.11 1.08 -0.98 -0.75 117.51 120.78 1dby h ILE 98 Ca 0.05 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.56 1dby h ILE 98 Cb 0.05 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.62 1dby h ILE 98 CO -0.08 0.01 -0.23 0.58 -0.69 0.00 0.00 178.15 177.74 1dby h VAL 99 N 0.04 0.43 -0.33 1.67 2.07 -0.15 0.38 116.25 120.36 1dby h VAL 99 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1dby h VAL 99 Cb 0.06 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1dby h VAL 99 CO -0.09 0.00 0.02 -0.61 0.02 0.00 0.00 177.57 176.91 1dby h GLN 100 N -0.26 0.11 -0.65 1.57 -0.00 -0.92 0.12 115.11 115.08 1dby h GLN 100 Ca 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 1dby h GLN 100 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.86 1dby h GLN 100 CO -0.34 0.07 0.38 1.15 0.00 0.00 0.00 178.83 180.10 1dby h THR 101 N 0.11 1.19 0.19 2.39 2.02 -0.08 -0.10 112.91 118.63 1dby h THR 101 Ca 0.16 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1dby h THR 101 Cb 0.21 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1dby h THR 101 CO -0.25 0.20 -0.09 0.58 0.37 0.00 0.00 175.52 176.32 1dby h VAL 102 N 0.89 0.88 -0.85 3.16 2.07 0.65 -3.14 116.25 119.90 1dby h VAL 102 Ca 0.23 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.97 1dby h VAL 102 Cb -0.02 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1dby h VAL 102 CO -0.04 0.19 0.47 -0.33 0.02 0.00 0.00 177.57 177.87 1dby h GLU 103 N -0.75 0.69 -0.71 1.57 5.08 -0.61 0.17 114.58 120.02 1dby h GLU 103 Ca -0.03 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.44 1dby h GLU 103 Cb 0.51 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 1dby h GLU 103 CO 0.04 0.46 0.17 -0.22 -1.00 0.00 0.00 179.01 178.47 1dby h LYS 104 N 0.71 0.27 0.11 2.33 3.64 -1.04 -2.35 116.57 120.25 1dby h LYS 104 Ca 0.44 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1dby h LYS 104 Cb 0.54 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1dby h LYS 104 CO -0.31 0.18 -0.05 1.88 -2.27 0.00 0.00 179.45 178.87 1dby h TYR 105 N 0.28 -0.14 -0.41 1.91 0.05 -0.96 -3.36 116.97 114.35 1dby h TYR 105 Ca 0.40 -0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.46 1dby h TYR 105 Cb 0.66 0.05 -0.06 0.00 1.01 0.00 0.00 36.73 38.39 1dby h TYR 105 CO -0.26 0.11 3.01 1.28 -1.05 0.00 0.00 178.16 181.25 1dby n LEU 106 N -4.85 7.42 -0.78 3.88 4.32 0.40 -5.12 117.00 122.26 1dby n LEU 106 Ca -0.04 -4.38 0.13 0.00 -0.02 0.00 0.00 56.01 51.70 1dby n LEU 106 Cb 0.15 -1.57 0.26 0.00 -1.62 0.00 0.00 43.42 40.64 1dby n LEU 106 CO 0.12 1.50 0.72 -3.20 -1.22 0.00 0.00 177.39 175.31