#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fd2 s PHE 2 N 0.00 3.48 -0.05 0.00 0.40 -1.26 -2.04 117.98 118.50 2fd2 s PHE 2 Ca 0.00 0.67 0.03 0.00 -0.60 0.00 0.00 56.93 57.04 2fd2 s PHE 2 Cb 0.00 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.40 2fd2 s PHE 2 CO 0.00 0.15 -0.14 0.08 0.70 0.00 0.00 175.22 176.01 2fd2 s VAL 3 N -2.11 1.22 -0.14 -0.44 1.01 0.79 -4.65 120.40 116.08 2fd2 s VAL 3 Ca 0.45 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 2fd2 s VAL 3 Cb -0.11 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2fd2 s VAL 3 CO 0.30 0.36 0.53 -0.69 0.00 0.00 0.00 175.10 175.60 2fd2 s VAL 4 N 0.35 5.14 0.00 2.92 1.01 -1.26 -0.94 120.40 127.62 2fd2 s VAL 4 Ca -0.09 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2fd2 s VAL 4 Cb -0.13 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2fd2 s VAL 4 CO 0.03 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.74 2fd2 n THR 5 N 3.96 0.00 -0.34 3.92 -2.24 -0.28 -4.90 114.28 114.40 2fd2 n THR 5 Ca -0.05 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.92 2fd2 n THR 5 Cb 0.51 -0.50 0.43 0.00 -2.10 0.00 0.00 70.33 68.67 2fd2 n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2fd2 h ASP 6 N 0.00 0.59 0.54 3.42 1.82 -1.95 -2.91 116.42 117.93 2fd2 h ASP 6 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2fd2 h ASP 6 Cb 0.00 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2fd2 h ASP 6 CO 0.00 0.10 0.00 -3.20 -1.61 0.00 0.00 179.24 174.53 2fd2 n ASN 7 N -4.77 0.00 0.02 2.28 5.15 -1.26 -1.63 115.26 115.04 2fd2 n ASN 7 Ca 0.26 0.20 -0.05 0.00 -0.60 0.00 0.00 54.58 54.39 2fd2 n ASN 7 Cb 0.80 -0.38 0.15 0.00 -0.53 0.00 0.00 39.78 39.82 2fd2 n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fd2 n ILE 9 N -4.05 0.14 -0.94 0.00 5.41 -0.65 -0.71 119.36 118.57 2fd2 n ILE 9 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2fd2 n ILE 9 Cb 0.49 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 2fd2 n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2fd2 n LYS 10 N 3.56 -1.52 -0.02 0.38 5.02 -0.53 -4.73 118.16 120.31 2fd2 n LYS 10 Ca 0.15 0.38 -0.05 0.00 -2.02 0.00 0.00 58.31 56.78 2fd2 n LYS 10 Cb 0.33 -4.68 -0.02 0.00 -0.02 0.00 0.00 35.03 30.65 2fd2 n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fd2 n LYS 12 N -3.99 -0.91 0.22 0.00 4.81 0.12 -2.14 118.16 116.28 2fd2 n LYS 12 Ca -0.07 0.45 0.10 0.00 -0.87 0.00 0.00 58.31 57.92 2fd2 n LYS 12 Cb 0.27 -2.91 0.46 0.00 0.02 0.00 0.00 35.03 32.87 2fd2 n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2fd2 h TYR 13 N -1.55 0.00 0.00 5.64 0.05 -1.90 -3.27 116.97 115.94 2fd2 h TYR 13 Ca -0.64 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.14 2fd2 h TYR 13 Cb 1.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.11 2fd2 h TYR 13 CO 0.31 0.22 0.00 0.25 -1.05 0.00 0.00 178.16 177.88 2fd2 n THR 14 N -3.38 0.00 -0.34 -2.88 -2.24 -1.26 -4.23 114.28 99.95 2fd2 n THR 14 Ca 0.00 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.03 2fd2 n THR 14 Cb 0.43 -0.52 0.52 0.00 -2.10 0.00 0.00 70.33 68.65 2fd2 n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2fd2 h ASP 15 N 0.00 0.43 -0.24 3.42 5.19 -1.89 -1.54 116.42 121.79 2fd2 h ASP 15 Ca 0.00 0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 2fd2 h ASP 15 Cb 0.26 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2fd2 h ASP 15 CO 0.00 0.04 0.21 0.00 -3.12 0.00 0.00 179.24 176.37 2fd2 h VAL 17 N 0.00 0.90 -0.79 0.00 -1.51 -1.66 -3.27 116.25 109.91 2fd2 h VAL 17 Ca 0.11 -1.87 0.06 0.00 -1.23 0.00 0.00 66.70 63.77 2fd2 h VAL 17 Cb 0.53 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 31.81 2fd2 h VAL 17 CO -0.00 0.44 0.52 -0.33 -1.23 0.00 0.00 177.57 176.97 2fd2 h GLU 18 N 0.00 0.84 0.00 5.19 3.07 -1.65 -2.95 114.58 119.08 2fd2 h GLU 18 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2fd2 h GLU 18 Cb 1.13 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 2fd2 h GLU 18 CO 0.06 0.56 -0.79 -0.24 -1.40 0.00 0.00 179.01 177.19 2fd2 h VAL 19 N 0.87 0.00 -2.69 3.13 3.04 -1.76 -3.46 116.25 115.39 2fd2 h VAL 19 Ca 0.34 -0.65 -0.55 0.00 -1.01 0.00 0.00 66.70 64.83 2fd2 h VAL 19 Cb 0.23 1.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.65 2fd2 h VAL 19 CO -0.12 0.00 1.06 0.00 -1.01 0.00 0.00 177.57 177.51 2fd2 h PRO 21 N 9.55 0.00 -0.16 0.00 0.13 -1.90 -3.34 132.00 136.29 2fd2 h PRO 21 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2fd2 h PRO 21 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2fd2 h PRO 21 CO 0.97 0.31 0.00 1.33 -0.23 0.00 0.00 178.00 180.38 2fd2 n VAL 22 N -4.01 0.56 -3.34 1.56 0.24 -1.26 -5.01 118.33 107.07 2fd2 n VAL 22 Ca -0.02 -0.78 -0.18 0.00 -2.04 0.00 0.00 64.34 61.33 2fd2 n VAL 22 Cb 0.37 0.80 0.07 0.00 -1.47 0.00 0.00 33.84 33.61 2fd2 n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2fd2 n ASP 23 N 0.39 -5.88 -0.88 -1.34 10.43 -1.25 -4.93 116.55 113.09 2fd2 n ASP 23 Ca 0.07 -0.74 0.08 0.00 2.57 0.00 0.00 54.79 56.77 2fd2 n ASP 23 Cb 0.32 -4.94 0.21 0.00 1.84 0.00 0.00 41.12 38.55 2fd2 n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fd2 n ALA 24 N -3.47 2.42 -2.88 2.24 0.00 -1.26 -4.90 120.51 112.67 2fd2 n ALA 24 Ca -0.10 -0.83 -0.35 0.00 0.00 0.00 0.00 53.44 52.15 2fd2 n ALA 24 Cb 0.62 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 2fd2 n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2fd2 s PHE 25 N -1.37 3.56 0.05 0.00 0.40 -1.26 -0.46 117.98 118.91 2fd2 s PHE 25 Ca 0.32 0.44 0.06 0.00 -0.60 0.00 0.00 56.93 57.15 2fd2 s PHE 25 Cb 0.17 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2fd2 s PHE 25 CO 0.22 0.69 -0.17 0.71 0.70 0.00 0.00 175.22 177.37 2fd2 s TYR 26 N -1.15 1.46 -0.15 0.36 2.02 -0.53 -2.13 117.35 117.23 2fd2 s TYR 26 Ca 0.20 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2fd2 s TYR 26 Cb -0.12 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 2fd2 s TYR 26 CO 0.10 0.07 0.00 -2.00 -1.57 0.00 0.00 175.55 172.16 2fd2 s GLU 27 N -1.30 3.64 0.44 -0.62 2.12 0.11 -1.85 118.70 121.23 2fd2 s GLU 27 Ca 0.03 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2fd2 s GLU 27 Cb -0.09 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 2fd2 s GLU 27 CO 0.02 0.34 0.02 0.20 -0.54 0.00 0.00 175.26 175.31 2fd2 s GLY 28 N 0.12 2.67 0.24 -1.50 0.00 -0.52 -3.83 107.32 104.50 2fd2 s GLY 28 Ca 0.01 -1.41 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 2fd2 s GLY 28 CO 0.02 -2.08 1.68 -2.55 0.00 0.00 0.00 173.10 170.17 2fd2 h PRO 29 N 1.65 0.23 0.00 2.90 0.11 -1.88 -3.28 132.00 131.73 2fd2 h PRO 29 Ca -0.43 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2fd2 h PRO 29 Cb 1.27 -0.05 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 2fd2 h PRO 29 CO 0.75 0.15 -0.83 0.27 -0.21 0.00 0.00 178.00 178.12 2fd2 n ASN 30 N -5.19 0.86 -3.49 -2.05 0.23 -1.26 -5.05 115.26 99.31 2fd2 n ASN 30 Ca 0.14 -2.19 -0.15 0.00 -0.53 0.00 0.00 54.58 51.85 2fd2 n ASN 30 Cb 0.47 -0.30 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 2fd2 n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2fd2 s PHE 31 N -0.36 -0.58 0.17 -2.53 5.36 -1.24 -1.46 117.98 117.35 2fd2 s PHE 31 Ca 0.26 0.78 0.10 0.00 -0.96 0.00 0.00 56.93 57.11 2fd2 s PHE 31 Cb 0.29 0.47 -0.04 0.00 -0.34 0.00 0.00 43.02 43.40 2fd2 s PHE 31 CO -0.11 -0.66 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.28 2fd2 s LEU 32 N -1.76 2.62 0.15 6.12 1.43 -1.26 -1.44 118.68 124.54 2fd2 s LEU 32 Ca -0.05 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 2fd2 s LEU 32 Cb -0.00 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2fd2 s LEU 32 CO 0.01 0.13 -0.17 0.68 0.23 0.00 0.00 176.35 177.22 2fd2 s VAL 33 N -1.55 1.68 -0.17 -1.59 -7.23 -0.77 -4.78 120.40 105.98 2fd2 s VAL 33 Ca 0.21 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 2fd2 s VAL 33 Cb -0.09 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2fd2 s VAL 33 CO 0.11 -0.32 0.21 -0.63 -0.31 0.00 0.00 175.10 174.16 2fd2 s ILE 34 N -2.00 5.36 -0.19 -0.62 1.01 -1.26 -1.45 121.20 122.04 2fd2 s ILE 34 Ca 0.13 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 2fd2 s ILE 34 Cb -0.06 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2fd2 s ILE 34 CO 0.05 0.43 1.20 -2.28 0.00 0.00 0.00 174.94 174.34 2fd2 s HIS 35 N 0.33 2.98 0.09 3.97 5.65 0.39 -4.52 115.29 124.17 2fd2 s HIS 35 Ca 0.13 1.13 0.27 0.00 0.25 0.00 0.00 55.06 56.84 2fd2 s HIS 35 Cb -0.12 -3.46 1.05 0.00 -1.18 0.00 0.00 32.58 28.86 2fd2 s HIS 35 CO 0.01 -1.36 1.87 -1.00 -0.65 0.00 0.00 174.74 173.62 2fd2 h PRO 36 N 8.05 0.00 0.00 2.88 0.13 -1.90 -2.44 132.00 138.73 2fd2 h PRO 36 Ca -0.24 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.73 2fd2 h PRO 36 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2fd2 h PRO 36 CO 0.98 0.13 -0.97 -0.44 -0.23 0.00 0.00 178.00 177.47 2fd2 h ASP 37 N 0.00 0.00 0.85 1.44 3.32 -1.99 -3.33 116.42 116.70 2fd2 h ASP 37 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2fd2 h ASP 37 Cb 0.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2fd2 h ASP 37 CO 0.02 0.64 -1.25 -0.33 -1.72 0.00 0.00 179.24 176.60 2fd2 h GLU 38 N 0.00 0.00 -6.69 3.56 5.08 -1.84 -3.46 114.58 111.22 2fd2 h GLU 38 Ca -0.08 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.76 2fd2 h GLU 38 Cb 1.56 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.85 2fd2 h GLU 38 CO 0.07 0.49 0.75 0.00 -1.00 0.00 0.00 179.01 179.32 2fd2 n ILE 40 N 2.80 1.23 -2.18 0.00 -5.35 -1.26 -4.75 119.36 109.85 2fd2 n ILE 40 Ca 0.08 -1.07 -0.19 0.00 -0.27 0.00 0.00 62.75 61.29 2fd2 n ILE 40 Cb 0.41 0.39 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 2fd2 n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2fd2 n ASP 41 N 1.24 -5.45 0.12 7.28 9.92 -1.26 -4.88 116.55 123.52 2fd2 n ASP 41 Ca 0.22 0.14 0.08 0.00 -0.53 0.00 0.00 54.79 54.71 2fd2 n ASP 41 Cb 0.65 -4.62 0.44 0.00 -0.64 0.00 0.00 41.12 36.95 2fd2 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fd2 n ALA 43 N -1.71 0.00 0.26 0.00 0.00 -1.26 -4.87 120.51 112.93 2fd2 n ALA 43 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2fd2 n ALA 43 Cb 0.03 -1.29 0.70 0.00 0.00 0.00 0.00 19.45 18.90 2fd2 n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fd2 h LEU 44 N 0.00 0.00 -0.27 0.00 4.07 -1.92 -3.11 115.31 114.08 2fd2 h LEU 44 Ca 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 2fd2 h LEU 44 Cb 0.61 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 2fd2 h LEU 44 CO 0.00 0.12 -0.53 0.00 -1.08 0.00 0.00 178.44 176.96 2fd2 h GLU 46 N 0.00 0.00 0.00 0.00 4.11 -1.88 -2.04 114.58 114.76 2fd2 h GLU 46 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2fd2 h GLU 46 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2fd2 h GLU 46 CO 0.07 0.43 -0.05 -1.35 0.07 0.00 0.00 179.01 178.18 2fd2 h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.78 -3.24 132.00 128.15 2fd2 h PRO 47 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2fd2 h PRO 47 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2fd2 h PRO 47 CO 0.06 0.05 -0.32 0.93 -0.21 0.00 0.00 178.00 178.50 2fd2 h GLU 48 N 0.00 0.00 -6.26 1.05 4.39 -1.55 -3.45 114.58 108.76 2fd2 h GLU 48 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2fd2 h GLU 48 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2fd2 h GLU 48 CO 0.01 0.00 1.17 0.00 -1.16 0.00 0.00 179.01 179.03 2fd2 h PRO 50 N 11.08 0.50 0.00 0.00 0.11 -1.93 -2.44 132.00 139.33 2fd2 h PRO 50 Ca -0.36 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2fd2 h PRO 50 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2fd2 h PRO 50 CO 0.99 0.47 0.00 0.00 -0.21 0.00 0.00 178.00 179.25 2fd2 n ALA 51 N -2.48 2.62 -4.00 -0.75 0.00 -1.26 -4.89 120.51 109.74 2fd2 n ALA 51 Ca 0.02 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 2fd2 n ALA 51 Cb 0.18 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 2fd2 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fd2 n GLN 52 N -0.93 -0.93 0.04 0.00 1.13 -0.92 -4.81 117.38 110.96 2fd2 n GLN 52 Ca 0.20 0.08 0.11 0.00 -1.94 0.00 0.00 57.00 55.45 2fd2 n GLN 52 Cb 0.09 -3.04 0.06 0.00 0.11 0.00 0.00 30.24 27.46 2fd2 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fd2 n ALA 53 N -3.91 3.15 -2.19 -1.58 0.00 -1.26 -4.91 120.51 109.81 2fd2 n ALA 53 Ca -0.24 -0.35 -0.39 0.00 0.00 0.00 0.00 53.44 52.47 2fd2 n ALA 53 Cb 0.56 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 2fd2 n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fd2 s ILE 54 N -3.22 4.63 0.06 0.00 1.01 -1.26 -1.13 121.20 121.30 2fd2 s ILE 54 Ca 0.04 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.06 2fd2 s ILE 54 Cb 0.14 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2fd2 s ILE 54 CO 0.78 0.55 -0.07 -0.36 0.00 0.00 0.00 174.94 175.83 2fd2 s PHE 55 N -1.12 0.76 0.32 3.97 0.40 -0.11 -4.89 117.98 117.31 2fd2 s PHE 55 Ca 0.31 -0.65 -0.28 0.00 -0.60 0.00 0.00 56.93 55.70 2fd2 s PHE 55 Cb -0.21 -0.45 -0.10 0.00 0.51 0.00 0.00 43.02 42.78 2fd2 s PHE 55 CO 0.21 -0.11 1.19 0.45 0.70 0.00 0.00 175.22 177.66 2fd2 s SER 56 N -2.12 6.93 0.45 1.36 0.15 -1.26 -0.15 113.70 119.07 2fd2 s SER 56 Ca -0.02 2.44 0.21 0.00 0.70 0.00 0.00 55.95 59.28 2fd2 s SER 56 Cb -0.04 -2.63 1.19 0.00 -1.71 0.00 0.00 66.02 62.83 2fd2 s SER 56 CO -0.01 -0.39 1.86 -0.08 1.20 0.00 0.00 173.24 175.81 2fd2 h GLU 57 N 3.41 0.29 -0.00 5.44 4.81 -1.74 0.22 114.58 127.01 2fd2 h GLU 57 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2fd2 h GLU 57 Cb 1.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2fd2 h GLU 57 CO 0.65 0.19 -0.03 -0.40 -0.73 0.00 0.00 179.01 178.70 2fd2 n ASP 58 N -4.46 0.18 -0.10 1.04 5.75 -1.26 -3.18 116.55 114.52 2fd2 n ASP 58 Ca 0.20 -0.57 0.01 0.00 -0.01 0.00 0.00 54.79 54.42 2fd2 n ASP 58 Cb 0.78 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.76 2fd2 n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2fd2 n GLU 59 N -1.06 1.25 -1.68 0.11 1.02 0.74 -5.02 120.64 115.99 2fd2 n GLU 59 Ca 0.18 -1.14 -0.45 0.00 -0.02 0.00 0.00 57.16 55.73 2fd2 n GLU 59 Cb 0.21 -1.04 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 2fd2 n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2fd2 n VAL 60 N -0.12 0.06 -1.47 2.62 0.31 -0.90 -4.83 118.33 114.00 2fd2 n VAL 60 Ca 0.02 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.97 2fd2 n VAL 60 Cb 0.17 -1.72 0.06 0.00 -0.91 0.00 0.00 33.84 31.45 2fd2 n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2fd2 n PRO 61 N 3.90 0.62 -0.22 5.55 -0.02 -1.26 -4.83 135.00 138.74 2fd2 n PRO 61 Ca 0.17 0.26 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2fd2 n PRO 61 Cb 0.31 -2.07 0.13 0.00 -0.02 0.00 0.00 33.50 31.85 2fd2 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fd2 h GLU 62 N 0.07 0.44 -0.50 -0.52 4.22 -2.02 -1.20 114.58 115.07 2fd2 h GLU 62 Ca -0.47 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2fd2 h GLU 62 Cb 1.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2fd2 h GLU 62 CO 0.48 0.29 0.00 -0.40 -2.18 0.00 0.00 179.01 177.20 2fd2 n ASP 63 N -4.97 0.50 -0.53 1.04 5.75 -1.26 -2.77 116.55 114.31 2fd2 n ASP 63 Ca 0.10 -1.94 0.04 0.00 -0.01 0.00 0.00 54.79 52.98 2fd2 n ASP 63 Cb 0.30 -0.25 0.05 0.00 -1.03 0.00 0.00 41.12 40.20 2fd2 n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2fd2 n MET 64 N -0.23 0.45 0.28 0.11 2.81 -0.46 -4.89 117.12 115.19 2fd2 n MET 64 Ca 0.00 -1.71 0.15 0.00 -1.81 0.00 0.00 57.70 54.34 2fd2 n MET 64 Cb 0.13 -0.77 0.83 0.00 -0.71 0.00 0.00 33.22 32.69 2fd2 n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2fd2 h GLN 65 N 0.20 0.00 0.00 0.03 1.08 -1.47 -2.41 115.11 112.53 2fd2 h GLN 65 Ca -0.03 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2fd2 h GLN 65 Cb 1.33 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2fd2 h GLN 65 CO 0.01 0.07 -0.13 0.93 -0.95 0.00 0.00 178.83 178.77 2fd2 h GLU 66 N 0.00 0.00 0.00 1.46 3.07 -1.90 -2.84 114.58 114.38 2fd2 h GLU 66 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2fd2 h GLU 66 Cb 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2fd2 h GLU 66 CO 0.01 0.13 -0.10 0.74 -1.40 0.00 0.00 179.01 178.39 2fd2 h PHE 67 N 0.00 0.00 0.31 4.33 0.04 -1.79 -1.62 116.94 118.22 2fd2 h PHE 67 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2fd2 h PHE 67 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2fd2 h PHE 67 CO 0.00 0.10 -0.15 0.82 -0.60 0.00 0.00 178.31 178.48 2fd2 h ILE 68 N 0.00 0.71 -0.23 -0.55 2.04 -1.69 -1.56 117.51 116.23 2fd2 h ILE 68 Ca -0.00 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 2fd2 h ILE 68 Cb 0.59 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2fd2 h ILE 68 CO 0.01 0.06 -0.47 -0.61 0.00 0.00 0.00 178.15 177.15 2fd2 h GLN 69 N -0.57 0.59 -0.79 2.37 4.15 -1.72 -3.16 115.11 115.98 2fd2 h GLN 69 Ca -0.04 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.09 2fd2 h GLN 69 Cb 0.42 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 2fd2 h GLN 69 CO 0.07 0.93 0.49 1.25 -1.93 0.00 0.00 178.83 179.65 2fd2 h LEU 70 N 0.47 0.81 -1.01 -2.39 6.46 -1.17 -1.96 115.31 116.52 2fd2 h LEU 70 Ca 0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2fd2 h LEU 70 Cb 0.99 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 2fd2 h LEU 70 CO 0.09 0.55 0.32 0.78 -0.62 0.00 0.00 178.44 179.56 2fd2 h ASN 71 N 0.95 0.93 -0.23 1.25 2.35 -1.27 -0.51 115.58 119.05 2fd2 h ASN 71 Ca 0.32 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2fd2 h ASN 71 Cb 0.05 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2fd2 h ASN 71 CO -0.13 0.81 -0.23 0.00 -1.65 0.00 0.00 177.43 176.23 2fd2 h ALA 72 N 1.33 0.34 -0.20 -0.83 0.00 -1.42 -1.79 119.26 116.69 2fd2 h ALA 72 Ca 0.24 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2fd2 h ALA 72 Cb 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fd2 h ALA 72 CO -0.03 0.30 -0.27 0.93 0.00 0.00 0.00 179.25 180.18 2fd2 h GLU 73 N 0.26 0.53 0.00 0.00 4.39 -1.28 -3.28 114.58 115.21 2fd2 h GLU 73 Ca 0.04 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2fd2 h GLU 73 Cb 0.78 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2fd2 h GLU 73 CO 0.06 0.90 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.58 2fd2 h LEU 74 N 0.20 0.00 -1.65 1.33 3.38 -1.11 -2.97 115.31 114.49 2fd2 h LEU 74 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2fd2 h LEU 74 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2fd2 h LEU 74 CO 0.06 0.16 -0.12 0.00 0.09 0.00 0.00 178.44 178.64 2fd2 h ALA 75 N 1.84 1.11 0.00 1.53 0.00 -1.39 -0.18 119.26 122.17 2fd2 h ALA 75 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2fd2 h ALA 75 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2fd2 h ALA 75 CO 0.02 0.15 0.00 0.93 0.00 0.00 0.00 179.25 180.35 2fd2 h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.57 -3.34 114.58 114.06 2fd2 h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fd2 h GLU 76 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2fd2 h GLU 76 CO 0.02 0.00 -0.27 1.33 -1.16 0.00 0.00 179.01 178.92 2fd2 n VAL 77 N -2.66 0.00 -3.41 3.13 0.24 -0.66 -5.04 118.33 109.94 2fd2 n VAL 77 Ca 0.04 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.34 61.65 2fd2 n VAL 77 Cb 0.43 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 2fd2 n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2fd2 s TRP 78 N -1.35 3.45 0.35 6.34 0.51 -0.17 -5.07 118.94 123.00 2fd2 s TRP 78 Ca 0.00 0.74 -0.28 0.00 -2.12 0.00 0.00 56.10 54.45 2fd2 s TRP 78 Cb 0.01 -2.16 -0.09 0.00 -0.81 0.00 0.00 33.47 30.42 2fd2 s TRP 78 CO 0.08 0.24 1.23 -1.25 -0.51 0.00 0.00 176.95 176.74 2fd2 s PRO 79 N -3.12 4.28 0.31 4.98 0.04 -1.25 -4.63 135.00 135.62 2fd2 s PRO 79 Ca 0.45 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 2fd2 s PRO 79 Cb -0.11 -2.95 -0.12 0.00 0.04 0.00 0.00 34.50 31.36 2fd2 s PRO 79 CO 0.25 -0.18 1.48 -1.71 0.04 0.00 0.00 177.00 176.88 2fd2 n ASN 80 N 0.60 3.42 -4.36 6.66 4.05 -1.26 0.05 115.26 124.42 2fd2 n ASN 80 Ca 0.01 1.18 -0.33 0.00 0.45 0.00 0.00 54.58 55.89 2fd2 n ASN 80 Cb 0.44 -1.55 -0.15 0.00 1.23 0.00 0.00 39.78 39.75 2fd2 n ASN 80 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2fd2 s ILE 81 N -0.49 2.94 0.00 -1.44 2.07 -0.91 -4.77 121.20 118.61 2fd2 s ILE 81 Ca 0.61 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2fd2 s ILE 81 Cb -0.53 -2.22 0.00 0.00 0.13 0.00 0.00 42.46 39.83 2fd2 s ILE 81 CO 0.55 0.53 0.35 0.35 -1.91 0.00 0.00 174.94 174.81 2fd2 n THR 82 N 3.50 0.00 -4.84 4.00 -2.24 -1.26 -4.55 114.28 108.88 2fd2 n THR 82 Ca -0.18 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 2fd2 n THR 82 Cb 0.53 1.17 -0.15 0.00 -2.10 0.00 0.00 70.33 69.78 2fd2 n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2fd2 s GLU 83 N -0.11 1.46 0.60 -0.78 2.02 -1.26 -4.79 118.70 115.84 2fd2 s GLU 83 Ca 0.00 -0.69 -0.19 0.00 0.02 0.00 0.00 54.97 54.11 2fd2 s GLU 83 Cb 0.00 -1.43 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 2fd2 s GLU 83 CO 0.00 0.39 1.25 0.21 0.02 0.00 0.00 175.26 177.13 2fd2 s LYS 84 N -0.54 2.91 0.27 1.61 2.20 -1.26 -5.00 119.74 119.93 2fd2 s LYS 84 Ca 0.07 1.96 0.05 0.00 -0.36 0.00 0.00 55.97 57.68 2fd2 s LYS 84 Cb -0.07 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.26 2fd2 s LYS 84 CO -0.00 -1.29 0.17 0.36 -0.36 0.00 0.00 175.35 174.23 2fd2 n LYS 85 N -1.55 0.45 -2.26 4.03 2.85 -1.26 -5.11 118.16 115.31 2fd2 n LYS 85 Ca 0.14 -2.51 -0.35 0.00 -1.05 0.00 0.00 58.31 54.54 2fd2 n LYS 85 Cb 0.48 1.77 -0.00 0.00 -0.65 0.00 0.00 35.03 36.64 2fd2 n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2fd2 s ASP 86 N -2.78 5.80 0.65 -5.58 1.11 -1.26 -4.75 116.67 109.85 2fd2 s ASP 86 Ca 0.24 2.09 -0.17 0.00 0.18 0.00 0.00 52.55 54.89 2fd2 s ASP 86 Cb 0.01 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 2fd2 s ASP 86 CO 0.17 -1.16 1.21 -2.84 1.18 0.00 0.00 175.17 173.73 2fd2 s PRO 87 N -3.39 2.66 0.91 8.23 0.02 -1.26 -4.88 135.00 137.29 2fd2 s PRO 87 Ca 0.71 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 63.40 2fd2 s PRO 87 Cb -0.22 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.44 2fd2 s PRO 87 CO 0.27 -1.44 0.48 1.28 -0.33 0.00 0.00 177.00 177.26 2fd2 n LEU 88 N -2.02 0.23 -0.12 -5.54 4.77 -0.91 -4.86 117.00 108.55 2fd2 n LEU 88 Ca 0.14 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 2fd2 n LEU 88 Cb 0.50 -1.23 0.04 0.00 -2.33 0.00 0.00 43.42 40.40 2fd2 n LEU 88 CO 0.46 -3.44 0.67 -0.65 -1.33 0.00 0.00 177.39 173.10 2fd2 h PRO 89 N -1.35 0.88 -0.85 3.23 0.11 -1.90 -2.18 132.00 129.95 2fd2 h PRO 89 Ca -0.44 -0.38 -0.53 0.00 0.11 0.00 0.00 66.00 64.76 2fd2 h PRO 89 Cb 1.29 -0.03 -0.28 0.00 0.11 0.00 0.00 31.00 32.09 2fd2 h PRO 89 CO 0.36 1.03 0.40 -0.25 -0.21 0.00 0.00 178.00 179.33 2fd2 n ASP 90 N -4.10 5.31 -0.03 -2.05 9.92 -1.26 -4.79 116.55 119.54 2fd2 n ASP 90 Ca -0.00 -3.74 -0.01 0.00 -0.53 0.00 0.00 54.79 50.51 2fd2 n ASP 90 Cb 0.46 -0.79 0.27 0.00 -0.64 0.00 0.00 41.12 40.42 2fd2 n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fd2 h ALA 91 N 1.58 1.32 0.00 2.24 0.00 -1.55 -3.00 119.26 119.85 2fd2 h ALA 91 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2fd2 h ALA 91 Cb 1.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2fd2 h ALA 91 CO 1.13 0.47 -0.30 -0.85 0.00 0.00 0.00 179.25 179.70 2fd2 n GLU 92 N -4.27 0.10 -0.15 0.00 -0.00 -1.26 -1.51 120.64 113.54 2fd2 n GLU 92 Ca 0.02 0.05 -0.09 0.00 -0.00 0.00 0.00 57.16 57.14 2fd2 n GLU 92 Cb 0.24 -1.58 -0.00 0.00 -0.00 0.00 0.00 31.44 30.10 2fd2 n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2fd2 h ASP 93 N 0.00 0.60 0.80 -1.84 3.45 -1.92 -3.15 116.42 114.37 2fd2 h ASP 93 Ca 0.00 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.28 2fd2 h ASP 93 Cb 0.58 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 2fd2 h ASP 93 CO 0.00 0.62 -0.16 0.79 -1.57 0.00 0.00 179.24 178.92 2fd2 n TRP 94 N -4.60 0.00 -1.96 4.55 7.02 -1.10 -4.73 117.44 116.62 2fd2 n TRP 94 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2fd2 n TRP 94 Cb 0.16 -0.40 -0.03 0.00 -2.42 0.00 0.00 31.31 28.62 2fd2 n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2fd2 s ASP 95 N -2.97 5.75 0.00 -0.99 3.68 -0.57 -2.67 116.67 118.90 2fd2 s ASP 95 Ca 0.14 1.25 0.00 0.00 2.13 0.00 0.00 52.55 56.07 2fd2 s ASP 95 Cb 0.19 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 2fd2 s ASP 95 CO 0.58 -1.83 0.00 0.61 0.13 0.00 0.00 175.17 174.66 2fd2 n GLY 96 N 5.49 0.62 3.71 2.66 0.00 -1.26 -5.01 105.19 111.40 2fd2 n GLY 96 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2fd2 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fd2 s VAL 97 N -2.00 3.68 0.42 1.61 1.01 -1.09 -5.03 120.40 119.01 2fd2 s VAL 97 Ca 0.00 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.11 2fd2 s VAL 97 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2fd2 s VAL 97 CO 0.00 0.09 0.75 -1.59 0.00 0.00 0.00 175.10 174.35 2fd2 s LYS 98 N 1.09 3.67 0.00 2.72 -2.85 -1.26 -4.49 119.74 118.62 2fd2 s LYS 98 Ca 0.62 0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 2fd2 s LYS 98 Cb -0.33 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.03 2fd2 s LYS 98 CO 0.30 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.08 2fd2 n GLY 99 N -1.63 0.73 0.20 0.59 0.00 -1.26 -4.95 105.19 98.86 2fd2 n GLY 99 Ca 0.01 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.48 2fd2 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fd2 n LYS 100 N -0.92 1.00 0.27 1.61 5.02 -1.26 -3.92 118.16 119.97 2fd2 n LYS 100 Ca 0.00 -0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.02 2fd2 n LYS 100 Cb 0.40 -1.49 0.77 0.00 -0.02 0.00 0.00 35.03 34.69 2fd2 n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2fd2 h LEU 101 N 0.97 0.00 -1.88 -0.35 5.85 -1.92 -0.73 115.31 117.25 2fd2 h LEU 101 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2fd2 h LEU 101 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2fd2 h LEU 101 CO 0.00 0.06 -0.07 0.06 -0.34 0.00 0.00 178.44 178.15 2fd2 h GLN 102 N 0.00 0.00 -0.23 1.25 3.07 -2.00 -2.15 115.11 115.04 2fd2 h GLN 102 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2fd2 h GLN 102 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2fd2 h GLN 102 CO 0.01 0.07 0.00 0.72 0.09 0.00 0.00 178.83 179.72 2fd2 n HIS 103 N -3.34 0.30 -2.38 0.06 8.25 -0.28 -4.97 115.22 112.86 2fd2 n HIS 103 Ca -0.01 -0.15 -0.41 0.00 -0.26 0.00 0.00 57.72 56.89 2fd2 n HIS 103 Cb 0.25 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 2fd2 n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2fd2 s LEU 104 N -1.44 4.49 -0.14 2.41 2.96 -0.81 -4.93 118.68 121.21 2fd2 s LEU 104 Ca 0.31 2.31 -0.03 0.00 -0.22 0.00 0.00 54.13 56.50 2fd2 s LEU 104 Cb 0.17 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 2fd2 s LEU 104 CO 0.25 -0.31 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.34 2fd2 s GLU 105 N -0.90 3.51 0.00 1.98 2.02 -1.26 -5.11 118.70 118.94 2fd2 s GLU 105 Ca 0.49 -0.49 0.30 0.00 0.02 0.00 0.00 54.97 55.29 2fd2 s GLU 105 Cb -0.33 -2.89 1.42 0.00 0.10 0.00 0.00 34.13 32.43 2fd2 s GLU 105 CO 0.40 0.36 1.96 -2.13 0.02 0.00 0.00 175.26 175.87