#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0v s PHE 2 N 0.00 3.48 -0.02 0.00 0.40 -1.26 -1.45 117.98 119.13 1b0v s PHE 2 Ca 0.00 0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1b0v s PHE 2 Cb 0.00 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.76 1b0v s PHE 2 CO 0.00 0.26 -0.01 0.08 0.70 0.00 0.00 175.22 176.24 1b0v s VAL 3 N -2.15 0.21 -0.20 -0.44 1.01 -0.26 -4.70 120.40 113.87 1b0v s VAL 3 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 1b0v s VAL 3 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1b0v s VAL 3 CO 0.33 0.12 0.74 -0.69 0.00 0.00 0.00 175.10 175.60 1b0v s VAL 4 N 0.62 4.93 0.00 2.92 1.01 -1.26 -1.73 120.40 126.88 1b0v s VAL 4 Ca -0.06 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1b0v s VAL 4 Cb -0.09 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1b0v s VAL 4 CO -0.01 0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.48 1b0v n THR 5 N 4.84 0.00 -0.18 3.92 -2.24 0.56 -4.90 114.28 116.28 1b0v n THR 5 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1b0v n THR 5 Cb 0.49 -0.75 0.48 0.00 -2.10 0.00 0.00 70.33 68.45 1b0v n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1b0v h ASP 6 N 0.00 0.45 0.77 3.42 3.58 -1.94 -2.94 116.42 119.76 1b0v h ASP 6 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1b0v h ASP 6 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1b0v h ASP 6 CO 0.00 0.23 0.00 -3.20 -2.88 0.00 0.00 179.24 173.39 1b0v n ASN 7 N -4.49 0.36 0.03 2.28 5.15 -1.26 -2.51 115.26 114.81 1b0v n ASN 7 Ca 0.15 0.57 -0.01 0.00 -0.60 0.00 0.00 54.58 54.68 1b0v n ASN 7 Cb 0.50 -0.66 0.26 0.00 -0.53 0.00 0.00 39.78 39.35 1b0v n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b0v n ILE 9 N -4.19 0.22 -1.24 0.00 5.41 -1.04 -1.00 119.36 117.52 1b0v n ILE 9 Ca 0.00 -0.04 -0.08 0.00 1.00 0.00 0.00 62.75 63.63 1b0v n ILE 9 Cb 0.34 -1.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.31 1b0v n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1b0v n LYS 10 N 4.85 -1.27 0.00 0.38 5.02 -0.62 -4.81 118.16 121.71 1b0v n LYS 10 Ca 0.18 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 1b0v n LYS 10 Cb 0.34 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 1b0v n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b0v n LYS 12 N -1.36 -1.58 0.03 0.00 4.81 -0.17 -2.44 118.16 117.45 1b0v n LYS 12 Ca 0.00 0.94 -0.04 0.00 -0.87 0.00 0.00 58.31 58.33 1b0v n LYS 12 Cb 0.00 -4.94 0.17 0.00 0.02 0.00 0.00 35.03 30.28 1b0v n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1b0v h TYR 13 N -0.74 0.52 -0.29 5.64 0.05 -1.91 -3.26 116.97 116.97 1b0v h TYR 13 Ca -0.44 -0.13 -0.12 0.00 0.05 0.00 0.00 58.73 58.09 1b0v h TYR 13 Cb 1.24 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 38.81 1b0v h TYR 13 CO 0.27 0.74 -0.11 0.25 -1.05 0.00 0.00 178.16 178.26 1b0v n THR 14 N -4.06 0.00 0.28 -2.88 -2.24 -1.26 -4.38 114.28 99.74 1b0v n THR 14 Ca -0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1b0v n THR 14 Cb 0.47 -1.24 0.84 0.00 -2.10 0.00 0.00 70.33 68.29 1b0v n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1b0v h ASP 15 N 0.00 0.00 -0.12 3.42 3.32 -1.90 -2.59 116.42 118.55 1b0v h ASP 15 Ca -0.12 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1b0v h ASP 15 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1b0v h ASP 15 CO 0.18 0.06 -0.04 0.00 -1.72 0.00 0.00 179.24 177.72 1b0v h VAL 17 N 0.37 0.00 -0.58 0.00 -1.51 -1.85 -3.17 116.25 109.51 1b0v h VAL 17 Ca 0.08 -0.48 -0.09 0.00 -1.23 0.00 0.00 66.70 64.98 1b0v h VAL 17 Cb 0.32 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 1b0v h VAL 17 CO 0.01 0.00 0.02 -0.33 -1.23 0.00 0.00 177.57 176.04 1b0v h GLU 18 N 0.00 1.00 0.00 5.19 3.07 -1.67 -3.18 114.58 118.99 1b0v h GLU 18 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1b0v h GLU 18 Cb 0.54 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1b0v h GLU 18 CO 0.00 0.97 -0.45 1.55 -1.40 0.00 0.00 179.01 179.68 1b0v n VAL 19 N -4.19 0.10 -2.14 3.13 3.14 -1.20 -4.89 118.33 112.29 1b0v n VAL 19 Ca 0.03 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.91 1b0v n VAL 19 Cb 0.33 0.03 -0.03 0.00 -1.06 0.00 0.00 33.84 33.11 1b0v n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b0v h PRO 21 N 8.60 0.03 -0.47 0.00 0.13 -1.92 -3.32 132.00 135.05 1b0v h PRO 21 Ca -0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1b0v h PRO 21 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1b0v h PRO 21 CO 0.94 0.68 0.00 1.33 -0.23 0.00 0.00 178.00 180.71 1b0v n VAL 22 N -3.77 0.68 -3.84 1.56 0.24 -1.26 -5.00 118.33 106.95 1b0v n VAL 22 Ca -0.01 -0.84 -0.30 0.00 -2.04 0.00 0.00 64.34 61.14 1b0v n VAL 22 Cb 0.65 0.80 0.01 0.00 -1.47 0.00 0.00 33.84 33.83 1b0v n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1b0v n ASP 23 N 1.40 -3.00 -1.96 -1.34 8.00 -1.25 -4.92 116.55 113.48 1b0v n ASP 23 Ca 0.19 -1.04 -0.20 0.00 0.71 0.00 0.00 54.79 54.46 1b0v n ASP 23 Cb 0.58 -3.09 0.18 0.00 -0.02 0.00 0.00 41.12 38.77 1b0v n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b0v s PHE 25 N -3.32 3.35 -0.07 0.00 0.08 -1.26 -1.16 117.98 115.60 1b0v s PHE 25 Ca 0.54 0.25 0.04 0.00 0.12 0.00 0.00 56.93 57.89 1b0v s PHE 25 Cb 0.46 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1b0v s PHE 25 CO 0.07 0.39 -0.21 0.71 -0.10 0.00 0.00 175.22 176.08 1b0v s TYR 26 N -0.25 2.20 -0.15 0.36 1.51 -0.21 -0.90 117.35 119.91 1b0v s TYR 26 Ca 0.09 -0.77 -0.14 0.00 -1.01 0.00 0.00 57.07 55.24 1b0v s TYR 26 Cb -0.12 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1b0v s TYR 26 CO 0.01 -0.29 0.33 -2.00 -1.11 0.00 0.00 175.55 172.49 1b0v s GLU 27 N 0.17 4.24 0.40 -0.62 2.12 0.72 -1.18 118.70 124.56 1b0v s GLU 27 Ca -0.11 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.46 1b0v s GLU 27 Cb -0.15 -3.42 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 1b0v s GLU 27 CO 0.05 0.25 0.05 0.20 -0.54 0.00 0.00 175.26 175.27 1b0v s GLY 28 N 0.41 2.41 0.29 -1.50 0.00 0.02 -3.95 107.32 105.00 1b0v s GLY 28 Ca 0.18 -2.22 0.04 0.00 0.00 0.00 0.00 44.72 42.73 1b0v s GLY 28 CO 0.05 -2.03 1.71 -2.55 0.00 0.00 0.00 173.10 170.29 1b0v h PRO 29 N 1.70 0.46 -0.02 2.90 0.11 -1.87 -3.25 132.00 132.02 1b0v h PRO 29 Ca -0.43 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1b0v h PRO 29 Cb 1.24 -0.10 -0.35 0.00 0.11 0.00 0.00 31.00 31.90 1b0v h PRO 29 CO 0.76 0.30 -0.93 0.27 -0.21 0.00 0.00 178.00 178.20 1b0v n ASN 30 N -4.99 0.71 -3.53 -2.05 0.23 -1.26 -5.04 115.26 99.33 1b0v n ASN 30 Ca 0.22 -2.00 -0.13 0.00 -0.53 0.00 0.00 54.58 52.14 1b0v n ASN 30 Cb 0.63 -0.21 -0.04 0.00 -2.08 0.00 0.00 39.78 38.07 1b0v n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1b0v s PHE 31 N -0.19 -0.47 0.09 -2.53 5.36 -1.23 -1.59 117.98 117.42 1b0v s PHE 31 Ca 0.28 0.68 0.10 0.00 -0.96 0.00 0.00 56.93 57.03 1b0v s PHE 31 Cb 0.33 0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 43.44 1b0v s PHE 31 CO -0.14 -0.52 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.34 1b0v s LEU 32 N -1.56 2.26 0.20 6.12 1.02 -1.26 -0.80 118.68 124.65 1b0v s LEU 32 Ca -0.03 -0.68 0.07 0.00 0.02 0.00 0.00 54.13 53.52 1b0v s LEU 32 Cb -0.00 -1.17 -0.05 0.00 0.02 0.00 0.00 46.19 44.99 1b0v s LEU 32 CO 0.01 0.18 -0.14 0.68 0.02 0.00 0.00 176.35 177.10 1b0v s VAL 33 N -0.98 1.69 -0.18 -1.59 -7.23 -0.32 -4.73 120.40 107.05 1b0v s VAL 33 Ca 0.12 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 1b0v s VAL 33 Cb -0.10 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1b0v s VAL 33 CO 0.04 -0.59 0.01 -0.63 -0.31 0.00 0.00 175.10 173.62 1b0v s ILE 34 N -2.94 4.17 -0.31 -0.62 1.01 -1.26 -1.05 121.20 120.20 1b0v s ILE 34 Ca 0.21 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 1b0v s ILE 34 Cb -0.01 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1b0v s ILE 34 CO 0.06 0.45 1.51 -2.28 0.00 0.00 0.00 174.94 174.69 1b0v s HIS 35 N 0.65 2.28 0.40 3.97 5.65 -0.31 -4.54 115.29 123.40 1b0v s HIS 35 Ca 0.00 0.67 0.15 0.00 0.25 0.00 0.00 55.06 56.13 1b0v s HIS 35 Cb -0.14 -4.07 0.89 0.00 -1.18 0.00 0.00 32.58 28.08 1b0v s HIS 35 CO 0.02 -2.38 1.91 -1.00 -0.65 0.00 0.00 174.74 172.64 1b0v h PRO 36 N 10.68 0.00 -0.02 2.88 0.13 -1.90 -2.08 132.00 141.68 1b0v h PRO 36 Ca -0.30 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 1b0v h PRO 36 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1b0v h PRO 36 CO 1.04 0.28 -0.87 -0.44 -0.23 0.00 0.00 178.00 177.78 1b0v h ASP 37 N 0.00 0.46 0.28 1.44 3.32 -2.00 -3.36 116.42 116.56 1b0v h ASP 37 Ca -0.00 -0.35 -0.31 0.00 0.02 0.00 0.00 57.03 56.39 1b0v h ASP 37 Cb 0.51 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.95 1b0v h ASP 37 CO 0.04 1.13 -1.33 -0.33 -1.72 0.00 0.00 179.24 177.03 1b0v h GLU 38 N 0.22 0.52 -6.38 3.56 5.08 -1.79 -3.47 114.58 112.33 1b0v h GLU 38 Ca -0.06 -0.79 -0.60 0.00 -1.00 0.00 0.00 59.36 56.91 1b0v h GLU 38 Cb 1.48 0.28 0.04 0.00 0.50 0.00 0.00 28.75 31.05 1b0v h GLU 38 CO 0.15 1.37 0.97 0.00 -1.00 0.00 0.00 179.01 180.49 1b0v n ASN 40 N 5.25 4.64 -3.91 0.00 0.23 -1.26 -4.68 115.26 115.53 1b0v n ASN 40 Ca 0.20 -2.98 -0.28 0.00 -0.53 0.00 0.00 54.58 50.99 1b0v n ASN 40 Cb 0.29 -0.70 0.01 0.00 -2.08 0.00 0.00 39.78 37.30 1b0v n ASN 40 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1b0v n ASP 41 N 0.09 -2.95 0.00 0.53 9.92 -1.26 -4.95 116.55 117.93 1b0v n ASP 41 Ca 0.32 -0.86 0.11 0.00 -0.53 0.00 0.00 54.79 53.83 1b0v n ASP 41 Cb 1.20 -3.64 0.49 0.00 -0.64 0.00 0.00 41.12 38.53 1b0v n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b0v n ALA 43 N -1.47 -0.04 0.21 0.00 0.00 -1.26 -4.84 120.51 113.11 1b0v n ALA 43 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1b0v n ALA 43 Cb 0.25 -1.24 0.46 0.00 0.00 0.00 0.00 19.45 18.92 1b0v n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1b0v h LEU 44 N 0.00 0.00 -0.28 0.00 4.07 -1.91 -3.22 115.31 113.97 1b0v h LEU 44 Ca -0.05 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.75 1b0v h LEU 44 Cb 0.82 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1b0v h LEU 44 CO 0.08 0.28 -0.73 0.00 -1.08 0.00 0.00 178.44 176.98 1b0v h GLU 46 N 0.00 0.00 -0.33 0.00 -0.00 -1.88 -2.49 114.58 109.87 1b0v h GLU 46 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1b0v h GLU 46 Cb 1.43 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.17 1b0v h GLU 46 CO 0.10 0.16 0.10 -1.35 -0.00 0.00 0.00 179.01 178.01 1b0v h PRO 47 N 0.00 0.48 0.00 1.06 0.11 -1.77 -3.32 132.00 128.55 1b0v h PRO 47 Ca -0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1b0v h PRO 47 Cb 1.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1b0v h PRO 47 CO 0.02 0.43 0.00 0.93 -0.21 0.00 0.00 178.00 179.17 1b0v h GLU 48 N 0.47 0.00 -6.14 1.05 4.39 -1.62 -3.44 114.58 109.28 1b0v h GLU 48 Ca 0.11 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.24 1b0v h GLU 48 Cb 0.16 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1b0v h GLU 48 CO -0.01 0.00 0.85 0.00 -1.16 0.00 0.00 179.01 178.69 1b0v h PRO 50 N 7.91 1.25 0.00 0.00 0.11 -1.94 -2.63 132.00 136.70 1b0v h PRO 50 Ca -0.25 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1b0v h PRO 50 Cb 1.10 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1b0v h PRO 50 CO 0.96 0.84 0.00 0.00 -0.21 0.00 0.00 178.00 179.60 1b0v n ALA 51 N -2.39 2.33 -4.04 -0.75 0.00 -1.26 -4.90 120.51 109.50 1b0v n ALA 51 Ca 0.11 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 1b0v n ALA 51 Cb 0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 1b0v n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b0v n GLN 52 N -1.03 -0.64 0.00 0.00 1.13 -0.99 -4.84 117.38 111.01 1b0v n GLN 52 Ca 0.17 0.02 0.09 0.00 -1.94 0.00 0.00 57.00 55.33 1b0v n GLN 52 Cb 0.09 -2.47 0.04 0.00 0.11 0.00 0.00 30.24 28.01 1b0v n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b0v n ALA 53 N -4.25 2.83 -2.63 -1.58 0.00 -1.26 -4.93 120.51 108.69 1b0v n ALA 53 Ca -0.19 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.27 1b0v n ALA 53 Cb 0.53 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 1b0v n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b0v s ILE 54 N -1.77 5.11 0.08 0.00 1.01 -1.26 -0.32 121.20 124.06 1b0v s ILE 54 Ca 0.18 0.93 0.05 0.00 0.00 0.00 0.00 60.65 61.80 1b0v s ILE 54 Cb 0.15 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1b0v s ILE 54 CO 0.33 0.41 -0.12 -0.36 0.00 0.00 0.00 174.94 175.20 1b0v s PHE 55 N 0.03 1.15 0.32 3.97 0.40 -0.71 -4.85 117.98 118.29 1b0v s PHE 55 Ca 0.25 -0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 55.77 1b0v s PHE 55 Cb -0.16 -0.64 -0.10 0.00 0.51 0.00 0.00 43.02 42.63 1b0v s PHE 55 CO 0.11 0.04 1.40 0.45 0.70 0.00 0.00 175.22 177.93 1b0v s SER 56 N -2.01 6.60 0.26 1.36 0.15 -1.26 -1.10 113.70 117.70 1b0v s SER 56 Ca 0.01 2.80 -0.02 0.00 0.70 0.00 0.00 55.95 59.43 1b0v s SER 56 Cb -0.07 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.13 1b0v s SER 56 CO 0.02 -0.69 1.69 -0.08 1.20 0.00 0.00 173.24 175.38 1b0v h GLU 57 N 3.76 0.31 0.00 5.44 4.81 -1.58 0.24 114.58 127.55 1b0v h GLU 57 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1b0v h GLU 57 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1b0v h GLU 57 CO 0.69 0.20 0.00 -0.40 -0.73 0.00 0.00 179.01 178.77 1b0v n ASP 58 N -5.12 0.00 -0.04 1.04 5.68 -1.26 -2.90 116.55 113.96 1b0v n ASP 58 Ca 0.16 -0.08 0.02 0.00 -0.50 0.00 0.00 54.79 54.39 1b0v n ASP 58 Cb 0.51 -0.19 0.03 0.00 -1.14 0.00 0.00 41.12 40.34 1b0v n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1b0v n GLU 59 N -1.19 2.15 -2.11 0.11 1.02 0.82 -5.04 120.64 116.41 1b0v n GLU 59 Ca 0.08 -1.58 -0.42 0.00 -0.02 0.00 0.00 57.16 55.21 1b0v n GLU 59 Cb 0.08 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1b0v n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b0v s VAL 60 N -1.23 3.20 0.50 2.62 1.01 -1.10 -4.76 120.40 120.64 1b0v s VAL 60 Ca 0.07 0.82 -0.21 0.00 0.00 0.00 0.00 61.98 62.66 1b0v s VAL 60 Cb 0.06 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1b0v s VAL 60 CO 0.01 0.05 0.80 -2.65 0.00 0.00 0.00 175.10 173.30 1b0v n PRO 61 N 4.29 0.89 -0.30 2.72 -0.02 -1.26 -4.80 135.00 136.52 1b0v n PRO 61 Ca 0.13 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 1b0v n PRO 61 Cb 0.42 -1.89 0.25 0.00 -0.02 0.00 0.00 33.50 32.25 1b0v n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1b0v h GLU 62 N 0.82 0.98 -0.20 -0.52 4.22 -2.02 0.39 114.58 118.25 1b0v h GLU 62 Ca -0.45 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1b0v h GLU 62 Cb 1.37 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1b0v h GLU 62 CO 0.52 0.65 0.00 -0.40 -2.18 0.00 0.00 179.01 177.60 1b0v n ASP 63 N -4.49 0.20 -0.30 1.04 5.75 -1.26 -2.92 116.55 114.57 1b0v n ASP 63 Ca 0.14 -1.96 0.04 0.00 -0.01 0.00 0.00 54.79 53.00 1b0v n ASP 63 Cb 0.21 -0.10 0.05 0.00 -1.03 0.00 0.00 41.12 40.25 1b0v n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1b0v n MET 64 N -0.40 0.58 0.24 0.11 2.81 0.12 -4.86 117.12 115.72 1b0v n MET 64 Ca 0.00 -1.58 0.18 0.00 -1.81 0.00 0.00 57.70 54.49 1b0v n MET 64 Cb 0.05 -0.89 0.87 0.00 -0.71 0.00 0.00 33.22 32.54 1b0v n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1b0v h GLN 65 N 0.00 0.00 -0.61 0.03 1.08 -1.41 -1.35 115.11 112.85 1b0v h GLN 65 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1b0v h GLN 65 Cb 1.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 1b0v h GLN 65 CO 0.00 0.00 0.40 0.93 -0.95 0.00 0.00 178.83 179.21 1b0v h GLU 66 N 0.00 0.66 0.00 1.46 3.07 -1.89 -2.93 114.58 114.95 1b0v h GLU 66 Ca 0.07 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1b0v h GLU 66 Cb 0.53 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1b0v h GLU 66 CO -0.00 0.44 -0.06 0.74 -1.40 0.00 0.00 179.01 178.73 1b0v h PHE 67 N 0.68 0.00 -0.07 4.33 0.04 -1.59 -2.59 116.94 117.74 1b0v h PHE 67 Ca 0.25 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 1b0v h PHE 67 Cb 0.14 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 1b0v h PHE 67 CO -0.00 0.06 0.02 0.82 -0.60 0.00 0.00 178.31 178.60 1b0v h ILE 68 N 0.00 1.18 -0.01 -0.55 2.04 -1.70 0.12 117.51 118.59 1b0v h ILE 68 Ca -0.00 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 1b0v h ILE 68 Cb 0.27 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1b0v h ILE 68 CO 0.01 0.16 -0.50 -0.61 0.00 0.00 0.00 178.15 177.20 1b0v h GLN 69 N -0.10 0.01 -0.38 2.37 4.15 -1.68 -2.88 115.11 116.60 1b0v h GLN 69 Ca 0.02 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 1b0v h GLN 69 Cb 0.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1b0v h GLN 69 CO -0.00 0.51 -0.19 1.25 -1.93 0.00 0.00 178.83 178.47 1b0v h LEU 70 N 0.01 0.84 -0.84 -2.39 6.46 -1.07 -1.41 115.31 116.91 1b0v h LEU 70 Ca -0.00 -0.41 -0.04 0.00 -0.12 0.00 0.00 57.88 57.31 1b0v h LEU 70 Cb 0.89 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 1b0v h LEU 70 CO 0.07 1.06 0.36 0.78 -0.62 0.00 0.00 178.44 180.09 1b0v h ASN 71 N 0.61 1.11 0.01 1.25 -0.26 -0.62 -0.99 115.58 116.69 1b0v h ASN 71 Ca 0.08 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1b0v h ASN 71 Cb 0.75 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1b0v h ASN 71 CO 0.06 0.96 -0.00 0.00 -1.06 0.00 0.00 177.43 177.38 1b0v h ALA 72 N 1.20 -0.01 -0.19 -0.83 0.00 -1.29 -1.44 119.26 116.70 1b0v h ALA 72 Ca 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1b0v h ALA 72 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1b0v h ALA 72 CO -0.03 -0.43 0.00 0.93 0.00 0.00 0.00 179.25 179.72 1b0v h GLU 73 N -0.16 0.34 0.00 0.00 4.39 -1.09 -3.20 114.58 114.86 1b0v h GLU 73 Ca -0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1b0v h GLU 73 Cb 0.16 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1b0v h GLU 73 CO 0.00 0.54 0.00 -0.07 -1.16 0.00 0.00 179.01 178.33 1b0v h LEU 74 N 0.10 0.00 -1.40 1.33 3.38 -1.20 -2.64 115.31 114.88 1b0v h LEU 74 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1b0v h LEU 74 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1b0v h LEU 74 CO 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 178.24 1b0v h ALA 75 N 2.33 1.43 0.00 1.53 0.00 -1.25 0.56 119.26 123.85 1b0v h ALA 75 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1b0v h ALA 75 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1b0v h ALA 75 CO 0.00 0.38 -0.23 0.93 0.00 0.00 0.00 179.25 180.32 1b0v h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.54 -3.34 114.58 114.10 1b0v h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1b0v h GLU 76 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1b0v h GLU 76 CO 0.04 0.23 -1.12 1.33 -1.16 0.00 0.00 179.01 178.34 1b0v n VAL 77 N -3.62 0.00 -3.41 3.13 0.24 -0.74 -5.03 118.33 108.90 1b0v n VAL 77 Ca -0.01 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 1b0v n VAL 77 Cb 0.37 0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 33.16 1b0v n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1b0v s TRP 78 N -2.28 3.47 0.42 6.34 0.51 0.11 -5.07 118.94 122.44 1b0v s TRP 78 Ca -0.02 0.64 -0.25 0.00 -2.12 0.00 0.00 56.10 54.36 1b0v s TRP 78 Cb 0.04 -2.09 -0.08 0.00 -0.81 0.00 0.00 33.47 30.52 1b0v s TRP 78 CO 0.24 0.23 1.18 -1.25 -0.51 0.00 0.00 176.95 176.84 1b0v s PRO 79 N -3.34 3.97 0.37 4.98 0.04 -1.25 -4.70 135.00 135.06 1b0v s PRO 79 Ca 0.44 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 63.05 1b0v s PRO 79 Cb -0.11 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.71 1b0v s PRO 79 CO 0.28 -0.40 1.37 1.21 0.04 0.00 0.00 177.00 179.51 1b0v s ASN 80 N -1.15 6.49 -0.11 6.66 3.04 -1.26 -0.20 114.94 128.40 1b0v s ASN 80 Ca 0.59 2.82 0.03 0.00 0.04 0.00 0.00 52.86 56.34 1b0v s ASN 80 Cb -0.31 -2.65 0.01 0.00 -1.54 0.00 0.00 41.25 36.75 1b0v s ASN 80 CO 0.39 -0.75 -0.22 -0.51 -3.04 0.00 0.00 177.10 172.97 1b0v s ILE 81 N -1.16 1.97 0.00 -5.21 2.07 -0.08 -4.74 121.20 114.04 1b0v s ILE 81 Ca 0.52 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1b0v s ILE 81 Cb -0.42 -1.73 0.00 0.00 0.13 0.00 0.00 42.46 40.44 1b0v s ILE 81 CO 0.56 0.54 0.00 0.35 -1.91 0.00 0.00 174.94 174.47 1b0v n THR 82 N 3.81 0.00 -4.52 4.00 -2.24 -1.26 -4.46 114.28 109.61 1b0v n THR 82 Ca -0.20 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 1b0v n THR 82 Cb 0.52 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.45 1b0v n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b0v s GLU 83 N -1.18 2.59 0.49 -0.78 2.02 -1.26 -4.80 118.70 115.79 1b0v s GLU 83 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 1b0v s GLU 83 Cb 0.00 -2.52 -0.07 0.00 0.10 0.00 0.00 34.13 31.65 1b0v s GLU 83 CO 0.00 0.62 1.40 0.21 0.02 0.00 0.00 175.26 177.51 1b0v s LYS 84 N -1.23 3.44 0.22 1.61 2.20 -1.26 -5.02 119.74 119.70 1b0v s LYS 84 Ca 0.16 2.35 0.03 0.00 -0.36 0.00 0.00 55.97 58.15 1b0v s LYS 84 Cb -0.11 -2.48 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 1b0v s LYS 84 CO 0.06 -0.99 0.11 0.36 -0.36 0.00 0.00 175.35 174.53 1b0v n LYS 85 N -0.56 0.55 -2.41 4.03 2.85 -1.26 -5.12 118.16 116.23 1b0v n LYS 85 Ca 0.07 -2.01 -0.36 0.00 -1.05 0.00 0.00 58.31 54.97 1b0v n LYS 85 Cb 0.43 1.29 -0.02 0.00 -0.65 0.00 0.00 35.03 36.07 1b0v n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1b0v s ASP 86 N -2.44 6.37 0.64 -5.58 1.01 -1.26 -4.75 116.67 110.67 1b0v s ASP 86 Ca 0.16 2.13 -0.17 0.00 0.71 0.00 0.00 52.55 55.39 1b0v s ASP 86 Cb 0.01 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1b0v s ASP 86 CO 0.11 -0.77 1.17 -2.84 0.21 0.00 0.00 175.17 173.06 1b0v s PRO 87 N -2.77 2.75 0.87 8.23 0.02 -1.26 -4.92 135.00 137.93 1b0v s PRO 87 Ca 0.63 1.67 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 1b0v s PRO 87 Cb -0.24 -1.92 0.09 0.00 0.02 0.00 0.00 34.50 32.46 1b0v s PRO 87 CO 0.29 -1.34 1.00 1.28 -0.33 0.00 0.00 177.00 177.90 1b0v n LEU 88 N -2.07 2.94 -0.06 -5.54 4.77 -1.02 -4.86 117.00 111.17 1b0v n LEU 88 Ca 0.12 0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 56.53 1b0v n LEU 88 Cb 0.51 -1.43 0.16 0.00 -2.33 0.00 0.00 43.42 40.33 1b0v n LEU 88 CO 0.46 -2.31 0.78 -0.65 -1.33 0.00 0.00 177.39 174.33 1b0v h PRO 89 N -1.40 0.68 -0.81 3.23 0.11 -1.93 -1.88 132.00 130.00 1b0v h PRO 89 Ca -0.44 -0.23 -0.40 0.00 0.11 0.00 0.00 66.00 65.03 1b0v h PRO 89 Cb 1.29 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.10 1b0v h PRO 89 CO 0.42 0.80 0.44 -0.25 -0.21 0.00 0.00 178.00 179.19 1b0v n ASP 90 N -4.15 3.56 -0.34 -2.05 9.92 -1.26 -4.79 116.55 117.43 1b0v n ASP 90 Ca 0.01 -3.61 0.05 0.00 -0.53 0.00 0.00 54.79 50.72 1b0v n ASP 90 Cb 0.37 -0.78 0.21 0.00 -0.64 0.00 0.00 41.12 40.29 1b0v n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b0v h ALA 91 N 1.18 1.38 -0.00 2.24 0.00 -1.52 -2.61 119.26 119.92 1b0v h ALA 91 Ca 0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1b0v h ALA 91 Cb 2.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1b0v h ALA 91 CO 0.89 0.18 -0.18 -0.85 0.00 0.00 0.00 179.25 179.29 1b0v n GLU 92 N -4.67 0.66 -0.05 0.00 -0.00 -1.26 -1.93 120.64 113.39 1b0v n GLU 92 Ca 0.17 -0.29 -0.13 0.00 -0.00 0.00 0.00 57.16 56.91 1b0v n GLU 92 Cb 0.32 -1.49 -0.01 0.00 -0.00 0.00 0.00 31.44 30.26 1b0v n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1b0v h ASP 93 N 0.71 0.86 0.89 -1.84 3.32 -1.84 -3.29 116.42 115.22 1b0v h ASP 93 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1b0v h ASP 93 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1b0v h ASP 93 CO 0.00 1.24 -0.40 0.79 -1.72 0.00 0.00 179.24 179.15 1b0v n TRP 94 N -3.99 0.39 -1.94 4.55 7.02 -1.16 -4.77 117.44 117.54 1b0v n TRP 94 Ca -0.04 0.11 -0.41 0.00 -1.02 0.00 0.00 57.50 56.14 1b0v n TRP 94 Cb 0.63 -0.57 -0.03 0.00 -2.42 0.00 0.00 31.31 28.92 1b0v n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1b0v s ASP 95 N -3.77 5.52 0.00 -0.99 -1.08 -0.81 -2.19 116.67 113.35 1b0v s ASP 95 Ca 0.09 1.03 0.00 0.00 -0.52 0.00 0.00 52.55 53.15 1b0v s ASP 95 Cb 0.15 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1b0v s ASP 95 CO 0.67 -2.06 0.00 0.61 0.52 0.00 0.00 175.17 174.91 1b0v n GLY 96 N 5.59 1.90 3.74 2.66 0.00 -1.26 -5.00 105.19 112.82 1b0v n GLY 96 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1b0v n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b0v s VAL 97 N -2.14 3.36 0.45 1.61 1.01 -0.93 -5.04 120.40 118.72 1b0v s VAL 97 Ca 0.00 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1b0v s VAL 97 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1b0v s VAL 97 CO 0.00 0.19 0.70 -0.75 0.00 0.00 0.00 175.10 175.24 1b0v s LYS 98 N -0.39 3.32 -0.80 2.72 2.20 -1.26 -4.54 119.74 120.99 1b0v s LYS 98 Ca 0.53 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1b0v s LYS 98 Cb -0.35 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1b0v s LYS 98 CO 0.39 -0.18 0.23 0.41 -0.36 0.00 0.00 175.35 175.83 1b0v n GLY 99 N -2.12 0.05 0.00 5.54 0.00 -1.26 -4.91 105.19 102.49 1b0v n GLY 99 Ca -0.00 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.76 1b0v n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b0v n LYS 100 N -2.28 0.13 0.21 1.61 5.02 -1.26 -3.45 118.16 118.15 1b0v n LYS 100 Ca -0.07 0.12 0.18 0.00 -2.02 0.00 0.00 58.31 56.52 1b0v n LYS 100 Cb 0.57 -1.50 0.83 0.00 -0.02 0.00 0.00 35.03 34.91 1b0v n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1b0v h LEU 101 N 0.00 0.00 -0.30 -0.35 5.85 -1.91 0.20 115.31 118.79 1b0v h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1b0v h LEU 101 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1b0v h LEU 101 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1b0v n GLN 102 N -3.47 0.20 -0.08 1.25 10.64 -1.22 -2.77 117.38 121.92 1b0v n GLN 102 Ca 0.02 0.29 0.12 0.00 -1.83 0.00 0.00 57.00 55.60 1b0v n GLN 102 Cb 0.42 -1.79 0.30 0.00 -0.86 0.00 0.00 30.24 28.30 1b0v n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1b0v n HIS 103 N -2.15 0.20 -1.85 2.61 8.25 0.69 -4.97 115.22 118.00 1b0v n HIS 103 Ca 0.04 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 1b0v n HIS 103 Cb 0.32 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1b0v n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1b0v s LEU 104 N -1.73 4.38 -0.15 2.41 2.96 -1.11 -4.97 118.68 120.46 1b0v s LEU 104 Ca 0.34 2.63 -0.06 0.00 -0.22 0.00 0.00 54.13 56.82 1b0v s LEU 104 Cb 0.20 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1b0v s LEU 104 CO 0.30 -0.92 0.06 -1.61 -1.32 0.00 0.00 176.35 172.86 1b0v s GLU 105 N 2.24 3.63 0.00 1.98 2.02 -1.26 -5.11 118.70 122.20 1b0v s GLU 105 Ca 0.75 -0.32 0.31 0.00 0.02 0.00 0.00 54.97 55.73 1b0v s GLU 105 Cb -0.43 -3.10 1.62 0.00 0.10 0.00 0.00 34.13 32.32 1b0v s GLU 105 CO 0.33 0.47 2.07 -2.13 0.02 0.00 0.00 175.26 176.02