#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3w s PHE 2 N 0.00 3.43 -0.02 0.00 0.40 -1.26 -1.76 117.98 118.77 1d3w s PHE 2 Ca 0.00 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1d3w s PHE 2 Cb 0.00 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1d3w s PHE 2 CO 0.00 0.29 -0.05 0.08 0.70 0.00 0.00 175.22 176.25 1d3w s VAL 3 N -2.11 0.43 -0.17 -0.44 1.01 0.11 -4.68 120.40 114.55 1d3w s VAL 3 Ca 0.37 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1d3w s VAL 3 Cb -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1d3w s VAL 3 CO 0.31 0.16 0.63 -0.69 0.00 0.00 0.00 175.10 175.52 1d3w s VAL 4 N 0.32 5.03 0.00 2.92 1.01 -1.26 -1.26 120.40 127.16 1d3w s VAL 4 Ca -0.04 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1d3w s VAL 4 Cb -0.07 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1d3w s VAL 4 CO -0.00 0.14 0.00 0.35 0.00 0.00 0.00 175.10 175.59 1d3w n THR 5 N 4.48 0.00 -0.25 3.92 -2.24 0.59 -4.86 114.28 115.92 1d3w n THR 5 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1d3w n THR 5 Cb 0.50 -0.75 0.08 0.00 -2.10 0.00 0.00 70.33 68.06 1d3w n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1d3w h ASP 6 N 0.00 -0.74 0.00 3.42 3.58 -1.94 -2.85 116.42 117.90 1d3w h ASP 6 Ca 0.00 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1d3w h ASP 6 Cb 0.00 0.47 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1d3w h ASP 6 CO 0.00 -0.25 0.12 -1.13 -2.88 0.00 0.00 179.24 175.10 1d3w h ASN 7 N -0.01 0.00 -0.07 2.28 -1.24 -1.87 -1.34 115.58 113.32 1d3w h ASN 7 Ca 0.35 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.23 1d3w h ASN 7 Cb 0.54 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 1d3w h ASN 7 CO -0.76 0.00 -0.38 0.00 -1.29 0.00 0.00 177.43 175.00 1d3w n ILE 9 N -4.04 0.24 -0.60 0.00 5.41 -0.51 -0.45 119.36 119.41 1d3w n ILE 9 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1d3w n ILE 9 Cb 0.50 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 1d3w n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1d3w n LYS 10 N 3.15 0.00 0.00 0.38 4.76 -0.74 -4.73 118.16 120.99 1d3w n LYS 10 Ca 0.15 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1d3w n LYS 10 Cb 0.31 -2.56 -0.00 0.00 -1.84 0.00 0.00 35.03 30.94 1d3w n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1d3w n LYS 12 N -3.21 -0.85 0.12 0.00 4.81 0.40 -1.62 118.16 117.81 1d3w n LYS 12 Ca -0.02 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1d3w n LYS 12 Cb 0.09 -2.89 0.31 0.00 0.02 0.00 0.00 35.03 32.55 1d3w n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1d3w h TYR 13 N -1.67 0.22 -0.52 5.64 0.05 -1.91 -3.32 116.97 115.47 1d3w h TYR 13 Ca -0.65 -0.04 -0.23 0.00 0.05 0.00 0.00 58.73 57.86 1d3w h TYR 13 Cb 1.38 -0.06 -0.09 0.00 1.01 0.00 0.00 36.73 38.97 1d3w h TYR 13 CO 0.31 0.48 -0.20 0.25 -1.05 0.00 0.00 178.16 177.95 1d3w n THR 14 N -4.13 0.00 0.27 -2.88 -2.24 -1.26 -4.17 114.28 99.86 1d3w n THR 14 Ca -0.01 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.92 1d3w n THR 14 Cb 0.39 -1.32 0.66 0.00 -2.10 0.00 0.00 70.33 67.97 1d3w n THR 14 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1d3w h GLU 15 N 0.07 0.00 -0.01 -0.78 4.39 -1.89 -3.20 114.58 113.15 1d3w h GLU 15 Ca -0.23 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.32 1d3w h GLU 15 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1d3w h GLU 15 CO 0.33 0.06 -0.70 0.00 -1.16 0.00 0.00 179.01 177.54 1d3w h VAL 17 N 0.05 1.26 -0.24 0.00 -1.51 -1.91 -3.27 116.25 110.62 1d3w h VAL 17 Ca -0.01 -1.21 -0.07 0.00 -1.23 0.00 0.00 66.70 64.18 1d3w h VAL 17 Cb 1.24 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 1d3w h VAL 17 CO 0.10 0.38 -0.16 -0.33 -1.23 0.00 0.00 177.57 176.32 1d3w h GLU 18 N 0.35 0.42 0.00 5.19 4.39 -1.78 -2.94 114.58 120.20 1d3w h GLU 18 Ca 0.05 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1d3w h GLU 18 Cb 0.63 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1d3w h GLU 18 CO 0.04 0.57 -0.18 1.55 -1.16 0.00 0.00 179.01 179.84 1d3w n VAL 19 N -4.19 0.10 -2.02 3.13 3.14 -1.23 -4.84 118.33 112.41 1d3w n VAL 19 Ca 0.00 -0.06 -0.43 0.00 -2.96 0.00 0.00 64.34 60.89 1d3w n VAL 19 Cb 0.33 -0.29 -0.03 0.00 -1.06 0.00 0.00 33.84 32.80 1d3w n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d3w h PRO 21 N 11.83 0.19 -0.51 0.00 0.13 -1.90 -3.13 132.00 138.61 1d3w h PRO 21 Ca -0.35 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1d3w h PRO 21 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1d3w h PRO 21 CO 1.01 0.32 0.00 1.33 -0.23 0.00 0.00 178.00 180.43 1d3w n VAL 22 N -4.30 1.05 -3.91 1.56 0.24 -1.26 -5.01 118.33 106.70 1d3w n VAL 22 Ca -0.01 -1.02 -0.38 0.00 -2.04 0.00 0.00 64.34 60.88 1d3w n VAL 22 Cb 0.25 0.47 0.02 0.00 -1.47 0.00 0.00 33.84 33.12 1d3w n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1d3w n ASP 23 N 0.96 -4.17 -1.39 -1.34 8.00 -1.19 -4.89 116.55 112.53 1d3w n ASP 23 Ca 0.17 -1.16 0.05 0.00 0.71 0.00 0.00 54.79 54.56 1d3w n ASP 23 Cb 0.53 -2.50 0.31 0.00 -0.02 0.00 0.00 41.12 39.44 1d3w n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d3w s PHE 25 N -2.87 3.71 -0.03 0.00 0.08 -1.26 -1.07 117.98 116.54 1d3w s PHE 25 Ca 0.48 1.02 0.04 0.00 0.12 0.00 0.00 56.93 58.59 1d3w s PHE 25 Cb 0.39 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 1d3w s PHE 25 CO 0.11 0.60 -0.15 0.71 -0.10 0.00 0.00 175.22 176.39 1d3w s TYR 26 N -1.17 1.47 -0.09 0.36 1.51 -0.17 -1.45 117.35 117.81 1d3w s TYR 26 Ca 0.27 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1d3w s TYR 26 Cb -0.17 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1d3w s TYR 26 CO 0.15 -0.10 0.02 -1.83 -1.11 0.00 0.00 175.55 172.68 1d3w s GLU 27 N -0.08 3.07 0.44 -0.62 -1.05 0.43 -1.01 118.70 119.88 1d3w s GLU 27 Ca -0.00 -0.37 0.07 0.00 -0.15 0.00 0.00 54.97 54.51 1d3w s GLU 27 Cb -0.09 -2.85 -0.03 0.00 -0.44 0.00 0.00 34.13 30.72 1d3w s GLU 27 CO 0.01 0.70 0.28 0.20 0.95 0.00 0.00 175.26 177.40 1d3w s GLY 28 N -0.85 2.29 0.46 -3.83 0.00 0.76 -3.97 107.32 102.18 1d3w s GLY 28 Ca 0.13 -1.86 0.22 0.00 0.00 0.00 0.00 44.72 43.21 1d3w s GLY 28 CO 0.02 -1.85 1.88 -2.55 0.00 0.00 0.00 173.10 170.60 1d3w h PRO 29 N 1.18 0.24 -0.07 2.90 0.11 -1.84 -3.25 132.00 131.26 1d3w h PRO 29 Ca -0.41 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 1d3w h PRO 29 Cb 1.27 -0.05 -0.32 0.00 0.11 0.00 0.00 31.00 32.00 1d3w h PRO 29 CO 0.64 0.16 -0.84 0.27 -0.21 0.00 0.00 178.00 178.02 1d3w n ASN 30 N -4.43 0.49 -3.53 -2.05 6.94 -1.26 -5.04 115.26 106.38 1d3w n ASN 30 Ca 0.18 -2.02 -0.09 0.00 -0.02 0.00 0.00 54.58 52.63 1d3w n ASN 30 Cb 0.76 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 38.02 1d3w n ASN 30 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1d3w s PHE 31 N -0.62 -0.34 0.12 -2.53 5.36 -1.23 -1.79 117.98 116.96 1d3w s PHE 31 Ca 0.24 0.33 0.08 0.00 -0.96 0.00 0.00 56.93 56.61 1d3w s PHE 31 Cb 0.30 0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 43.45 1d3w s PHE 31 CO -0.11 -0.46 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.48 1d3w s LEU 32 N -2.08 2.34 0.13 6.12 1.43 -1.26 -0.17 118.68 125.20 1d3w s LEU 32 Ca 0.03 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 1d3w s LEU 32 Cb -0.01 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1d3w s LEU 32 CO -0.06 0.01 -0.11 0.68 0.23 0.00 0.00 176.35 177.11 1d3w s VAL 33 N -1.47 1.14 -0.16 -1.59 -7.23 -0.18 -4.75 120.40 106.16 1d3w s VAL 33 Ca 0.09 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.28 1d3w s VAL 33 Cb -0.09 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1d3w s VAL 33 CO 0.05 -0.66 0.03 -0.63 -0.31 0.00 0.00 175.10 173.57 1d3w s ILE 34 N -2.98 4.47 -0.42 -0.62 1.01 -1.26 -1.00 121.20 120.40 1d3w s ILE 34 Ca 0.13 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1d3w s ILE 34 Cb 0.00 -2.98 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1d3w s ILE 34 CO 0.01 0.50 1.28 -2.28 0.00 0.00 0.00 174.94 174.44 1d3w s HIS 35 N 0.13 2.63 0.37 3.97 5.65 -0.23 -4.37 115.29 123.44 1d3w s HIS 35 Ca 0.03 0.74 0.12 0.00 0.25 0.00 0.00 55.06 56.20 1d3w s HIS 35 Cb -0.13 -4.27 0.92 0.00 -1.18 0.00 0.00 32.58 27.92 1d3w s HIS 35 CO 0.01 -1.62 1.85 -1.00 -0.65 0.00 0.00 174.74 173.33 1d3w h PRO 36 N 9.83 0.56 0.00 2.88 0.13 -1.87 -1.64 132.00 141.90 1d3w h PRO 36 Ca -0.25 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1d3w h PRO 36 Cb 1.09 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1d3w h PRO 36 CO 1.09 0.37 -0.60 -0.44 -0.23 0.00 0.00 178.00 178.20 1d3w h ASP 37 N 0.58 0.00 0.40 1.44 3.32 -1.99 -3.34 116.42 116.84 1d3w h ASP 37 Ca 0.48 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.22 1d3w h ASP 37 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1d3w h ASP 37 CO -0.22 0.49 -1.63 -0.33 -1.72 0.00 0.00 179.24 175.83 1d3w h GLU 38 N 0.00 0.22 -6.55 3.56 5.08 -1.87 -3.46 114.58 111.56 1d3w h GLU 38 Ca -0.02 -0.38 -0.56 0.00 -1.00 0.00 0.00 59.36 57.40 1d3w h GLU 38 Cb 1.39 0.14 0.06 0.00 0.50 0.00 0.00 28.75 30.84 1d3w h GLU 38 CO 0.06 1.05 0.87 0.00 -1.00 0.00 0.00 179.01 180.00 1d3w n ILE 40 N 3.63 1.80 -3.77 0.00 -5.35 -1.26 -3.46 119.36 110.96 1d3w n ILE 40 Ca 0.17 -1.21 -0.27 0.00 -0.27 0.00 0.00 62.75 61.16 1d3w n ILE 40 Cb 0.31 0.14 0.05 0.00 -1.74 0.00 0.00 39.64 38.40 1d3w n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1d3w n ASP 41 N 1.08 -5.46 0.01 7.28 8.00 -1.26 -4.79 116.55 121.41 1d3w n ASP 41 Ca 0.25 -0.67 0.12 0.00 0.71 0.00 0.00 54.79 55.20 1d3w n ASP 41 Cb 0.87 -4.41 0.51 0.00 -0.02 0.00 0.00 41.12 38.07 1d3w n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d3w n ALA 43 N -1.52 0.00 0.15 0.00 0.00 -1.26 -4.85 120.51 113.02 1d3w n ALA 43 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1d3w n ALA 43 Cb 0.29 -0.76 0.56 0.00 0.00 0.00 0.00 19.45 19.54 1d3w n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1d3w h LEU 44 N 0.00 0.17 -0.51 0.00 4.07 -1.92 -2.77 115.31 114.36 1d3w h LEU 44 Ca 0.00 -0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 1d3w h LEU 44 Cb 0.00 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1d3w h LEU 44 CO 0.00 0.12 -0.63 0.00 -1.08 0.00 0.00 178.44 176.85 1d3w h GLU 46 N 0.00 0.01 0.00 0.00 4.57 -1.82 -1.46 114.58 115.88 1d3w h GLU 46 Ca -0.01 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1d3w h GLU 46 Cb 1.26 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1d3w h GLU 46 CO 0.08 0.01 0.00 -0.35 -1.18 0.00 0.00 179.01 177.57 1d3w n PRO 47 N -5.31 0.01 0.15 0.92 -0.04 -1.26 -3.41 135.00 126.06 1d3w n PRO 47 Ca 0.03 0.08 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1d3w n PRO 47 Cb 0.24 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1d3w n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1d3w h GLU 48 N 0.00 0.00 -6.41 0.54 4.39 -1.45 -3.45 114.58 108.20 1d3w h GLU 48 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1d3w h GLU 48 Cb 0.42 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1d3w h GLU 48 CO 0.00 0.11 1.03 0.00 -1.16 0.00 0.00 179.01 178.99 1d3w h PRO 50 N 9.98 0.00 -0.01 0.00 0.11 -1.92 -0.62 132.00 139.55 1d3w h PRO 50 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1d3w h PRO 50 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1d3w h PRO 50 CO 1.05 0.09 -0.01 0.00 -0.21 0.00 0.00 178.00 178.92 1d3w n ALA 51 N -2.34 2.64 -4.14 -0.75 0.00 -1.26 -4.92 120.51 109.73 1d3w n ALA 51 Ca -0.02 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.76 1d3w n ALA 51 Cb 0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 1d3w n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1d3w n GLN 52 N -0.39 -3.21 0.04 0.00 6.02 -0.24 -4.82 117.38 114.78 1d3w n GLN 52 Ca 0.21 0.38 0.11 0.00 -0.01 0.00 0.00 57.00 57.69 1d3w n GLN 52 Cb 0.24 -4.88 0.01 0.00 1.02 0.00 0.00 30.24 26.64 1d3w n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1d3w n ALA 53 N -4.41 3.14 -2.47 -1.58 0.00 -1.26 -4.91 120.51 109.01 1d3w n ALA 53 Ca -0.06 -0.37 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 1d3w n ALA 53 Cb 0.56 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 1d3w n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1d3w s ILE 54 N -3.25 4.89 0.02 0.00 1.01 -1.26 -0.30 121.20 122.31 1d3w s ILE 54 Ca 0.02 1.27 -0.00 0.00 0.00 0.00 0.00 60.65 61.94 1d3w s ILE 54 Cb 0.13 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1d3w s ILE 54 CO 0.80 0.42 -0.02 -0.36 0.00 0.00 0.00 174.94 175.77 1d3w s PHE 55 N -0.21 0.25 0.60 3.97 0.40 -0.39 -4.86 117.98 117.74 1d3w s PHE 55 Ca 0.31 -0.51 -0.19 0.00 -0.60 0.00 0.00 56.93 55.95 1d3w s PHE 55 Cb -0.18 -0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 1d3w s PHE 55 CO 0.18 -0.19 1.23 0.45 0.70 0.00 0.00 175.22 177.59 1d3w s SER 56 N -1.42 5.06 0.20 1.36 0.15 -1.26 0.04 113.70 117.82 1d3w s SER 56 Ca -0.16 2.44 -0.12 0.00 0.70 0.00 0.00 55.95 58.82 1d3w s SER 56 Cb -0.10 -2.60 0.23 0.00 -1.71 0.00 0.00 66.02 61.84 1d3w s SER 56 CO -0.01 -1.69 1.72 -0.08 1.20 0.00 0.00 173.24 174.38 1d3w h GLU 57 N 0.81 0.27 0.00 5.44 4.81 -1.67 -0.84 114.58 123.39 1d3w h GLU 57 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1d3w h GLU 57 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1d3w h GLU 57 CO 0.55 0.18 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 1d3w n ASP 58 N -5.09 0.00 -0.08 1.04 5.75 -1.26 -2.26 116.55 114.65 1d3w n ASP 58 Ca 0.07 -0.67 0.01 0.00 -0.01 0.00 0.00 54.79 54.18 1d3w n ASP 58 Cb 0.27 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.37 1d3w n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1d3w n GLU 59 N -0.97 1.30 -1.93 0.11 1.02 -0.37 -5.01 120.64 114.79 1d3w n GLU 59 Ca 0.14 -1.14 -0.42 0.00 -0.02 0.00 0.00 57.16 55.72 1d3w n GLU 59 Cb 0.07 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 1d3w n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1d3w s VAL 60 N -0.61 3.23 0.52 2.62 1.01 -0.88 -4.78 120.40 121.52 1d3w s VAL 60 Ca 0.03 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1d3w s VAL 60 Cb 0.01 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 1d3w s VAL 60 CO 0.02 -0.02 0.38 -2.65 0.00 0.00 0.00 175.10 172.83 1d3w n PRO 61 N 6.36 0.40 -0.37 2.72 -0.02 -1.26 -4.76 135.00 138.08 1d3w n PRO 61 Ca 0.17 0.16 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 1d3w n PRO 61 Cb 0.41 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.59 1d3w n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1d3w h GLU 62 N 0.29 1.08 0.00 -0.52 4.22 -2.01 -0.10 114.58 117.55 1d3w h GLU 62 Ca -0.43 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1d3w h GLU 62 Cb 1.41 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1d3w h GLU 62 CO 0.47 0.72 0.00 -0.40 -2.18 0.00 0.00 179.01 177.61 1d3w n ASP 63 N -4.54 0.00 -0.16 1.04 5.68 -1.26 -2.93 116.55 114.38 1d3w n ASP 63 Ca 0.17 -0.76 0.07 0.00 -0.50 0.00 0.00 54.79 53.77 1d3w n ASP 63 Cb 0.25 -0.04 0.10 0.00 -1.14 0.00 0.00 41.12 40.30 1d3w n ASP 63 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1d3w n MET 64 N -1.04 1.03 -0.24 0.11 2.81 -0.07 -4.79 117.12 114.93 1d3w n MET 64 Ca 0.20 -2.19 0.19 0.00 -1.81 0.00 0.00 57.70 54.08 1d3w n MET 64 Cb 0.11 -1.26 0.51 0.00 -0.71 0.00 0.00 33.22 31.86 1d3w n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1d3w h GLN 65 N 0.00 0.41 -0.58 0.03 1.08 -1.38 -0.26 115.11 114.40 1d3w h GLN 65 Ca 0.00 -0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.33 1d3w h GLN 65 Cb 1.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 1d3w h GLN 65 CO 0.00 0.27 0.41 1.49 -0.95 0.00 0.00 178.83 180.05 1d3w h GLU 66 N 0.42 0.08 0.00 1.46 4.57 -1.87 -2.38 114.58 116.86 1d3w h GLU 66 Ca 0.46 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.60 1d3w h GLU 66 Cb 1.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1d3w h GLU 66 CO -0.18 0.05 -0.18 0.74 -1.18 0.00 0.00 179.01 178.26 1d3w h PHE 67 N 0.08 0.00 0.84 0.92 0.04 -1.38 -1.20 116.94 116.24 1d3w h PHE 67 Ca 0.28 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.01 1d3w h PHE 67 Cb 1.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1d3w h PHE 67 CO -0.00 0.18 -0.46 0.82 -0.60 0.00 0.00 178.31 178.25 1d3w h ILE 68 N 0.00 0.06 -0.63 -0.55 2.04 -1.60 0.10 117.51 116.93 1d3w h ILE 68 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1d3w h ILE 68 Cb 0.41 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1d3w h ILE 68 CO 0.02 0.00 0.38 -0.61 0.00 0.00 0.00 178.15 177.94 1d3w h GLN 69 N -1.21 0.72 -0.45 2.37 4.15 -1.69 -2.72 115.11 116.28 1d3w h GLN 69 Ca -0.11 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.31 1d3w h GLN 69 Cb 0.95 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.43 1d3w h GLN 69 CO 0.15 0.48 0.18 1.25 -1.93 0.00 0.00 178.83 178.96 1d3w h LEU 70 N 0.74 0.23 -0.63 -2.39 5.85 -0.98 -1.85 115.31 116.28 1d3w h LEU 70 Ca 0.26 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1d3w h LEU 70 Cb 0.05 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1d3w h LEU 70 CO -0.12 0.17 0.40 0.78 -0.34 0.00 0.00 178.44 179.33 1d3w h ASN 71 N 0.37 0.66 0.02 1.25 -0.26 -0.50 -0.96 115.58 116.17 1d3w h ASN 71 Ca 0.21 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.95 1d3w h ASN 71 Cb 0.17 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1d3w h ASN 71 CO -0.19 0.47 -0.04 0.00 -1.06 0.00 0.00 177.43 176.61 1d3w h ALA 72 N 1.26 -0.06 -0.35 -0.83 0.00 -1.16 -0.38 119.26 117.74 1d3w h ALA 72 Ca 0.25 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1d3w h ALA 72 Cb -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1d3w h ALA 72 CO -0.09 -0.55 -0.38 1.05 0.00 0.00 0.00 179.25 179.28 1d3w h GLU 73 N -0.09 0.85 -0.00 0.00 4.11 -1.22 -3.15 114.58 115.08 1d3w h GLU 73 Ca 0.01 -0.44 -0.15 0.00 0.07 0.00 0.00 59.36 58.85 1d3w h GLU 73 Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1d3w h GLU 73 CO -0.03 1.08 -0.72 -0.07 0.07 0.00 0.00 179.01 179.34 1d3w h LEU 74 N 0.70 0.01 -2.29 3.06 3.38 -1.14 -2.89 115.31 116.13 1d3w h LEU 74 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1d3w h LEU 74 Cb 0.96 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1d3w h LEU 74 CO 0.09 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 179.32 1d3w h ALA 75 N 1.28 1.57 0.00 1.53 0.00 -1.02 0.45 119.26 123.06 1d3w h ALA 75 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1d3w h ALA 75 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1d3w h ALA 75 CO 0.09 0.03 -0.60 0.93 0.00 0.00 0.00 179.25 179.70 1d3w h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.51 -3.36 114.58 114.11 1d3w h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1d3w h GLU 76 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1d3w h GLU 76 CO 0.00 0.60 -0.67 1.33 -1.16 0.00 0.00 179.01 179.12 1d3w n VAL 77 N -3.59 0.00 -3.72 3.13 0.24 -0.45 -5.03 118.33 108.91 1d3w n VAL 77 Ca -0.00 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.34 61.78 1d3w n VAL 77 Cb 0.65 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 1d3w n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1d3w s TRP 78 N -2.07 3.48 0.35 6.34 0.51 0.02 -5.08 118.94 122.49 1d3w s TRP 78 Ca 0.02 0.25 -0.25 0.00 -2.12 0.00 0.00 56.10 54.00 1d3w s TRP 78 Cb 0.07 -1.79 -0.09 0.00 -0.81 0.00 0.00 33.47 30.85 1d3w s TRP 78 CO 0.40 0.36 1.01 -1.25 -0.51 0.00 0.00 176.95 176.95 1d3w s PRO 79 N -3.62 4.39 0.36 4.98 0.04 -1.26 -4.74 135.00 135.17 1d3w s PRO 79 Ca 0.37 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1d3w s PRO 79 Cb -0.10 -2.72 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 1d3w s PRO 79 CO 0.30 0.08 1.35 1.21 0.04 0.00 0.00 177.00 179.97 1d3w s ASN 80 N -1.52 6.56 -0.10 6.66 3.04 -1.26 -0.43 114.94 127.90 1d3w s ASN 80 Ca 0.53 2.76 0.01 0.00 0.04 0.00 0.00 52.86 56.21 1d3w s ASN 80 Cb -0.21 -2.65 0.02 0.00 -1.54 0.00 0.00 41.25 36.86 1d3w s ASN 80 CO 0.27 -0.69 -0.12 -0.51 -3.04 0.00 0.00 177.10 173.01 1d3w s ILE 81 N -1.17 1.25 -0.05 -5.21 2.07 -0.53 -4.76 121.20 112.81 1d3w s ILE 81 Ca 0.52 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1d3w s ILE 81 Cb -0.41 -1.17 -0.00 0.00 0.13 0.00 0.00 42.46 41.01 1d3w s ILE 81 CO 0.54 0.39 0.21 0.35 -1.91 0.00 0.00 174.94 174.52 1d3w n THR 82 N 4.28 0.00 -5.07 4.00 -2.24 -1.26 -4.45 114.28 109.54 1d3w n THR 82 Ca -0.19 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 60.82 1d3w n THR 82 Cb 0.51 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 1d3w n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1d3w s GLU 83 N -0.69 2.01 0.60 -0.78 2.02 -1.26 -4.49 118.70 116.11 1d3w s GLU 83 Ca 0.00 -0.77 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 1d3w s GLU 83 Cb 0.00 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1d3w s GLU 83 CO 0.02 0.38 1.19 1.17 0.02 0.00 0.00 175.26 178.03 1d3w n LYS 84 N 2.84 1.20 -4.24 1.61 0.00 -1.26 -4.98 118.16 113.34 1d3w n LYS 84 Ca -0.17 0.46 -0.15 0.00 0.00 0.00 0.00 58.31 58.46 1d3w n LYS 84 Cb 0.52 -2.40 -0.10 0.00 0.00 0.00 0.00 35.03 33.06 1d3w n LYS 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1d3w s LYS 85 N -2.98 1.37 0.25 1.64 2.20 -1.26 -5.11 119.74 115.85 1d3w s LYS 85 Ca 0.77 -1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.33 1d3w s LYS 85 Cb -0.41 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.05 1d3w s LYS 85 CO 0.45 -0.45 1.10 -0.51 -0.36 0.00 0.00 175.35 175.59 1d3w s ASP 86 N -3.24 7.27 1.05 1.43 1.01 -1.26 -4.70 116.67 118.23 1d3w s ASP 86 Ca 0.39 2.22 -0.12 0.00 0.71 0.00 0.00 52.55 55.75 1d3w s ASP 86 Cb 0.06 -2.62 0.20 0.00 1.01 0.00 0.00 42.92 41.57 1d3w s ASP 86 CO 0.16 -0.16 0.94 -2.65 0.21 0.00 0.00 175.17 173.67 1d3w n PRO 87 N 1.53 -1.43 -1.78 8.23 -0.02 -1.26 -4.91 135.00 135.36 1d3w n PRO 87 Ca -0.00 -0.37 -0.38 0.00 -2.02 0.00 0.00 63.50 60.73 1d3w n PRO 87 Cb 0.45 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 31.79 1d3w n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1d3w s LEU 88 N -6.02 3.79 0.49 2.45 1.43 -0.64 -4.87 118.68 115.32 1d3w s LEU 88 Ca 0.66 2.73 0.33 0.00 -1.03 0.00 0.00 54.13 56.83 1d3w s LEU 88 Cb -0.23 -4.35 1.45 0.00 0.03 0.00 0.00 46.19 43.10 1d3w s LEU 88 CO 0.63 -1.66 1.72 1.55 0.23 0.00 0.00 176.35 178.82 1d3w h PRO 89 N 1.27 0.11 -0.08 1.29 0.13 -1.90 -1.75 132.00 131.06 1d3w h PRO 89 Ca -0.51 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 1d3w h PRO 89 Cb 1.31 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1d3w h PRO 89 CO 0.56 0.07 -0.54 -0.25 -0.23 0.00 0.00 178.00 177.61 1d3w n ASP 90 N -4.35 2.06 -0.32 1.44 8.00 -1.26 -4.83 116.55 117.28 1d3w n ASP 90 Ca 0.31 -3.87 0.12 0.00 0.71 0.00 0.00 54.79 52.05 1d3w n ASP 90 Cb 1.32 -0.51 0.29 0.00 -0.02 0.00 0.00 41.12 42.21 1d3w n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d3w h ALA 91 N 1.13 1.48 -0.19 2.24 0.00 -1.43 -1.70 119.26 120.79 1d3w h ALA 91 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1d3w h ALA 91 Cb 1.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1d3w h ALA 91 CO 0.08 -0.17 -0.24 1.05 0.00 0.00 0.00 179.25 179.97 1d3w h GLU 92 N 0.59 0.34 -0.50 0.00 -0.00 -1.88 0.04 114.58 113.17 1d3w h GLU 92 Ca 0.54 -0.12 -0.09 0.00 -0.00 0.00 0.00 59.36 59.69 1d3w h GLU 92 Cb 0.90 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.61 1d3w h GLU 92 CO -0.43 0.56 -0.06 -0.44 -0.00 0.00 0.00 179.01 178.64 1d3w h ASP 93 N 0.31 0.87 1.03 3.06 3.45 -1.70 -3.15 116.42 120.29 1d3w h ASP 93 Ca 0.05 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1d3w h ASP 93 Cb 0.59 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1d3w h ASP 93 CO 0.04 0.97 -0.69 -0.50 -1.57 0.00 0.00 179.24 177.50 1d3w h TRP 94 N 0.81 0.00 -2.45 4.55 4.06 -1.30 -3.44 115.95 118.17 1d3w h TRP 94 Ca 0.14 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.51 1d3w h TRP 94 Cb 0.57 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 1d3w h TRP 94 CO 0.03 0.00 1.34 0.34 -3.56 0.00 0.00 178.44 176.59 1d3w s ASP 95 N -4.82 5.78 0.00 -3.49 -1.08 -0.03 -1.78 116.67 111.25 1d3w s ASP 95 Ca 0.04 1.53 0.00 0.00 -0.52 0.00 0.00 52.55 53.60 1d3w s ASP 95 Cb 0.11 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1d3w s ASP 95 CO 0.74 -1.76 0.00 0.61 0.52 0.00 0.00 175.17 175.28 1d3w n GLY 96 N 5.49 1.54 3.71 2.66 0.00 -1.26 -4.99 105.19 112.34 1d3w n GLY 96 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1d3w n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d3w s VAL 97 N -2.17 4.02 0.53 1.61 1.01 -0.73 -5.02 120.40 119.64 1d3w s VAL 97 Ca 0.00 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 1d3w s VAL 97 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1d3w s VAL 97 CO 0.00 0.12 0.86 -1.59 0.00 0.00 0.00 175.10 174.49 1d3w s LYS 98 N 1.01 3.50 -1.69 2.72 0.00 -1.26 -4.31 119.74 119.71 1d3w s LYS 98 Ca 0.58 0.32 -0.01 0.00 0.00 0.00 0.00 55.97 56.86 1d3w s LYS 98 Cb -0.30 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.24 1d3w s LYS 98 CO 0.29 -0.34 0.15 0.41 0.00 0.00 0.00 175.35 175.86 1d3w n GLY 99 N -2.42 -0.48 0.00 0.59 0.00 -1.26 -4.88 105.19 96.75 1d3w n GLY 99 Ca 0.02 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1d3w n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d3w n LYS 100 N -3.21 0.18 0.07 1.61 5.02 -1.26 -2.81 118.16 117.76 1d3w n LYS 100 Ca -0.21 0.16 0.14 0.00 -2.02 0.00 0.00 58.31 56.39 1d3w n LYS 100 Cb 0.67 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.81 1d3w n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1d3w h LEU 101 N 0.00 0.08 -2.19 -0.35 5.85 -1.89 0.22 115.31 117.03 1d3w h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1d3w h LEU 101 Cb 0.10 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1d3w h LEU 101 CO 0.00 0.05 0.00 0.06 -0.34 0.00 0.00 178.44 178.21 1d3w h GLN 102 N 0.10 0.00 -0.34 1.25 3.07 -1.93 -1.84 115.11 115.42 1d3w h GLN 102 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 1d3w h GLN 102 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1d3w h GLN 102 CO -0.02 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.62 1d3w n HIS 103 N -2.90 0.43 -1.86 0.06 8.25 0.77 -5.00 115.22 114.97 1d3w n HIS 103 Ca -0.01 -0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 56.79 1d3w n HIS 103 Cb 0.14 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1d3w n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1d3w s LEU 104 N -1.45 4.37 -0.12 2.41 2.96 -0.69 -4.94 118.68 121.22 1d3w s LEU 104 Ca 0.35 2.72 -0.02 0.00 -0.22 0.00 0.00 54.13 56.96 1d3w s LEU 104 Cb 0.21 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 1d3w s LEU 104 CO 0.29 -0.88 -0.02 -1.61 -1.32 0.00 0.00 176.35 172.82 1d3w s GLU 105 N 1.03 3.29 0.00 1.98 2.02 -1.26 -5.11 118.70 120.65 1d3w s GLU 105 Ca 0.71 -0.47 0.29 0.00 0.02 0.00 0.00 54.97 55.52 1d3w s GLU 105 Cb -0.46 -2.84 1.75 0.00 0.10 0.00 0.00 34.13 32.68 1d3w s GLU 105 CO 0.33 0.48 2.08 -2.13 0.02 0.00 0.00 175.26 176.04