#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frx s PHE 2 N 0.00 3.48 -0.06 0.00 0.40 -1.26 -1.46 117.98 119.08 1frx s PHE 2 Ca 0.00 0.46 0.05 0.00 -0.60 0.00 0.00 56.93 56.84 1frx s PHE 2 Cb 0.00 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.59 1frx s PHE 2 CO 0.00 0.46 -0.21 0.08 0.70 0.00 0.00 175.22 176.26 1frx s VAL 3 N -1.65 1.74 -0.23 -0.44 1.01 0.12 -4.67 120.40 116.28 1frx s VAL 3 Ca 0.39 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1frx s VAL 3 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1frx s VAL 3 CO 0.26 0.49 0.41 -0.69 0.00 0.00 0.00 175.10 175.56 1frx s VAL 4 N 0.11 5.18 0.00 2.92 1.01 -1.26 -1.11 120.40 127.24 1frx s VAL 4 Ca -0.08 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1frx s VAL 4 Cb -0.14 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1frx s VAL 4 CO 0.04 0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.70 1frx n THR 5 N 4.63 0.00 -0.31 3.92 -2.24 0.15 -4.88 114.28 115.56 1frx n THR 5 Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1frx n THR 5 Cb 0.51 -0.70 0.28 0.00 -2.10 0.00 0.00 70.33 68.31 1frx n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1frx h ASP 6 N 0.00 0.47 0.62 3.42 1.82 -1.95 -2.77 116.42 118.03 1frx h ASP 6 Ca 0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1frx h ASP 6 Cb 0.00 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1frx h ASP 6 CO 0.00 0.13 0.00 -3.20 -1.61 0.00 0.00 179.24 174.56 1frx n ASN 7 N -4.94 0.59 0.18 2.28 5.15 -1.26 -0.55 115.26 116.71 1frx n ASN 7 Ca 0.20 0.66 0.03 0.00 -0.60 0.00 0.00 54.58 54.87 1frx n ASN 7 Cb 0.55 -0.78 0.32 0.00 -0.53 0.00 0.00 39.78 39.34 1frx n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1frx s ILE 9 N -3.85 2.46 0.00 0.00 1.01 0.29 -1.36 121.20 119.75 1frx s ILE 9 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1frx s ILE 9 Cb 0.13 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1frx s ILE 9 CO 0.72 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.95 1frx n LYS 10 N 5.13 -0.17 -0.02 2.79 5.02 -0.83 -4.76 118.16 125.31 1frx n LYS 10 Ca 0.17 0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.46 1frx n LYS 10 Cb 0.38 -3.20 -0.01 0.00 -0.02 0.00 0.00 35.03 32.17 1frx n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frx n LYS 12 N -3.67 -0.56 0.21 0.00 4.81 -0.51 -2.27 118.16 116.17 1frx n LYS 12 Ca -0.06 0.22 0.05 0.00 -0.87 0.00 0.00 58.31 57.65 1frx n LYS 12 Cb 0.23 -2.88 0.47 0.00 0.02 0.00 0.00 35.03 32.87 1frx n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1frx h TYR 13 N -2.27 0.00 -0.45 5.64 0.05 -1.90 -3.25 116.97 114.78 1frx h TYR 13 Ca -0.69 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 57.98 1frx h TYR 13 Cb 1.39 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.09 1frx h TYR 13 CO 0.35 0.23 -0.10 0.25 -1.05 0.00 0.00 178.16 177.84 1frx n THR 14 N -4.25 0.00 -0.22 -2.88 -2.24 -1.26 -4.00 114.28 99.44 1frx n THR 14 Ca -0.02 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1frx n THR 14 Cb 0.29 -0.96 0.37 0.00 -2.10 0.00 0.00 70.33 67.93 1frx n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1frx h ASP 15 N 0.00 0.64 -0.90 3.42 3.32 -1.88 -1.94 116.42 119.08 1frx h ASP 15 Ca -0.11 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.10 1frx h ASP 15 Cb 0.80 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 1frx h ASP 15 CO 0.16 0.37 0.58 0.00 -1.72 0.00 0.00 179.24 178.63 1frx h VAL 17 N 0.74 0.68 -0.93 0.00 -1.51 -1.73 -2.92 116.25 110.58 1frx h VAL 17 Ca 0.45 -1.01 0.04 0.00 -1.23 0.00 0.00 66.70 64.95 1frx h VAL 17 Cb 0.67 1.64 -0.06 0.00 -2.13 0.00 0.00 31.29 31.41 1frx h VAL 17 CO -0.21 0.23 0.60 -0.33 -1.23 0.00 0.00 177.57 176.63 1frx h GLU 18 N 0.00 1.12 0.00 5.19 3.07 -1.65 -2.77 114.58 119.53 1frx h GLU 18 Ca -0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1frx h GLU 18 Cb 0.62 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1frx h GLU 18 CO 0.03 0.74 0.00 1.55 -1.40 0.00 0.00 179.01 179.93 1frx n VAL 19 N -4.51 0.12 -2.91 3.13 3.14 -1.10 -4.86 118.33 111.35 1frx n VAL 19 Ca 0.12 0.03 -0.40 0.00 -2.96 0.00 0.00 64.34 61.13 1frx n VAL 19 Cb 0.10 -0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 32.24 1frx n VAL 19 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1frx s SER 20 N -2.44 7.24 0.07 6.55 0.15 -1.05 -4.93 113.70 119.29 1frx s SER 20 Ca 0.28 1.48 0.06 0.00 0.70 0.00 0.00 55.95 58.48 1frx s SER 20 Cb 0.18 -2.49 -0.23 0.00 -1.71 0.00 0.00 66.02 61.77 1frx s SER 20 CO 0.38 -0.08 1.08 1.55 1.20 0.00 0.00 173.24 177.37 1frx h PRO 21 N 6.11 0.05 -5.97 5.44 0.13 -1.91 -3.46 132.00 132.39 1frx h PRO 21 Ca -0.43 -0.08 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1frx h PRO 21 Cb 1.21 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 1frx h PRO 21 CO 0.73 0.91 -0.50 0.14 -0.23 0.00 0.00 178.00 179.05 1frx s VAL 22 N -2.67 2.50 -0.37 1.56 -7.23 -1.26 -5.02 120.40 107.91 1frx s VAL 22 Ca -0.02 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1frx s VAL 22 Cb 0.09 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 34.07 1frx s VAL 22 CO 0.83 -0.05 2.86 -0.90 -0.31 0.00 0.00 175.10 177.52 1frx n ASP 23 N -1.23 6.27 0.27 4.85 5.68 -1.26 -4.71 116.55 126.42 1frx n ASP 23 Ca -0.01 -3.08 0.17 0.00 -0.50 0.00 0.00 54.79 51.37 1frx n ASP 23 Cb 0.63 -1.25 0.91 0.00 -1.14 0.00 0.00 41.12 40.28 1frx n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1frx s PHE 25 N -3.88 3.57 0.01 0.00 0.08 -1.26 -0.42 117.98 116.07 1frx s PHE 25 Ca -0.04 0.45 0.05 0.00 0.12 0.00 0.00 56.93 57.51 1frx s PHE 25 Cb 0.10 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 1frx s PHE 25 CO 0.30 0.69 -0.15 0.71 -0.10 0.00 0.00 175.22 176.68 1frx s TYR 26 N -1.15 1.31 -0.19 0.36 1.51 -0.07 -2.21 117.35 116.91 1frx s TYR 26 Ca 0.20 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1frx s TYR 26 Cb -0.12 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1frx s TYR 26 CO 0.10 0.01 0.06 -2.00 -1.11 0.00 0.00 175.55 172.61 1frx s GLU 27 N -0.67 3.93 0.47 -0.62 2.12 0.86 -1.11 118.70 123.68 1frx s GLU 27 Ca 0.04 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1frx s GLU 27 Cb -0.07 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1frx s GLU 27 CO 0.00 0.22 0.01 0.20 -0.54 0.00 0.00 175.26 175.15 1frx s GLY 28 N 0.52 2.81 0.28 -1.50 0.00 0.03 -3.83 107.32 105.64 1frx s GLY 28 Ca 0.03 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.52 1frx s GLY 28 CO 0.01 -2.16 1.59 -2.55 0.00 0.00 0.00 173.10 169.99 1frx h PRO 29 N 1.53 0.03 0.00 2.90 0.11 -1.88 -3.23 132.00 131.47 1frx h PRO 29 Ca -0.44 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 1frx h PRO 29 Cb 1.28 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.12 1frx h PRO 29 CO 0.77 0.02 -0.79 0.27 -0.21 0.00 0.00 178.00 178.06 1frx n ASN 30 N -5.47 0.48 -3.49 -2.05 0.23 -1.26 -5.06 115.26 98.64 1frx n ASN 30 Ca 0.19 -1.96 -0.13 0.00 -0.53 0.00 0.00 54.58 52.15 1frx n ASN 30 Cb 0.62 -0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 1frx n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1frx s PHE 31 N 0.00 -0.50 0.04 -2.53 5.36 -1.22 -1.97 117.98 117.16 1frx s PHE 31 Ca 0.22 0.44 0.09 0.00 -0.96 0.00 0.00 56.93 56.71 1frx s PHE 31 Cb 0.25 0.46 -0.03 0.00 -0.34 0.00 0.00 43.02 43.36 1frx s PHE 31 CO -0.11 -0.76 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.15 1frx s LEU 32 N -2.36 2.32 0.25 6.12 1.02 -1.26 -0.79 118.68 123.98 1frx s LEU 32 Ca -0.02 -0.54 0.08 0.00 0.02 0.00 0.00 54.13 53.68 1frx s LEU 32 Cb -0.00 -1.36 -0.05 0.00 0.02 0.00 0.00 46.19 44.79 1frx s LEU 32 CO -0.07 0.26 -0.12 0.68 0.02 0.00 0.00 176.35 177.11 1frx s VAL 33 N -0.85 1.90 -0.18 -1.59 -7.23 -0.26 -4.78 120.40 107.41 1frx s VAL 33 Ca 0.13 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.02 1frx s VAL 33 Cb -0.10 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1frx s VAL 33 CO 0.03 -0.43 0.01 -0.63 -0.31 0.00 0.00 175.10 173.77 1frx s ILE 34 N -2.86 4.26 -0.25 -0.62 1.01 -1.26 -0.89 121.20 120.58 1frx s ILE 34 Ca 0.27 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1frx s ILE 34 Cb 0.00 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1frx s ILE 34 CO 0.11 0.47 1.45 -2.28 0.00 0.00 0.00 174.94 174.68 1frx s HIS 35 N 0.50 2.42 0.24 3.97 5.65 0.44 -4.52 115.29 124.00 1frx s HIS 35 Ca -0.00 0.72 0.19 0.00 0.25 0.00 0.00 55.06 56.21 1frx s HIS 35 Cb -0.14 -3.92 0.78 0.00 -1.18 0.00 0.00 32.58 28.12 1frx s HIS 35 CO 0.02 -2.30 1.79 -1.00 -0.65 0.00 0.00 174.74 172.60 1frx h PRO 36 N 9.88 0.00 0.00 2.88 0.13 -1.90 -1.37 132.00 141.62 1frx h PRO 36 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1frx h PRO 36 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1frx h PRO 36 CO 1.01 0.35 0.00 -0.44 -0.23 0.00 0.00 178.00 178.70 1frx h ASP 37 N 0.00 0.00 0.00 1.44 3.32 -1.99 -3.30 116.42 115.89 1frx h ASP 37 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1frx h ASP 37 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1frx h ASP 37 CO 0.05 0.00 -1.84 -0.62 -1.72 0.00 0.00 179.24 175.11 1frx n GLU 38 N -3.00 0.95 -2.03 3.56 1.02 -0.58 -4.96 120.64 115.60 1frx n GLU 38 Ca 0.02 -0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 1frx n GLU 38 Cb 0.38 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 1frx n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1frx n ILE 40 N 2.35 2.74 -3.48 0.00 -5.35 -1.26 -4.74 119.36 109.62 1frx n ILE 40 Ca 0.07 -1.62 -0.25 0.00 -0.27 0.00 0.00 62.75 60.68 1frx n ILE 40 Cb 0.40 -0.30 -0.01 0.00 -1.74 0.00 0.00 39.64 37.99 1frx n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1frx n ASP 41 N 0.10 -3.57 0.09 7.28 8.00 -1.26 -4.86 116.55 122.34 1frx n ASP 41 Ca 0.31 -0.47 0.09 0.00 0.71 0.00 0.00 54.79 55.44 1frx n ASP 41 Cb 1.20 -2.95 0.42 0.00 -0.02 0.00 0.00 41.12 39.77 1frx n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frx n ALA 43 N -1.69 0.00 0.27 0.00 0.00 -1.26 -4.84 120.51 112.99 1frx n ALA 43 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1frx n ALA 43 Cb 0.15 -0.98 0.73 0.00 0.00 0.00 0.00 19.45 19.36 1frx n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1frx h LEU 44 N 0.00 0.00 0.07 0.00 4.07 -1.94 -3.26 115.31 114.25 1frx h LEU 44 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1frx h LEU 44 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1frx h LEU 44 CO 0.00 0.11 -1.24 0.00 -1.08 0.00 0.00 178.44 176.23 1frx h GLU 46 N 0.04 0.00 0.00 0.00 4.11 -1.89 0.04 114.58 116.89 1frx h GLU 46 Ca -0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1frx h GLU 46 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1frx h GLU 46 CO 0.16 0.40 -0.04 -1.35 0.07 0.00 0.00 179.01 178.26 1frx h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.79 -3.05 132.00 128.33 1frx h PRO 47 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1frx h PRO 47 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1frx h PRO 47 CO 0.05 0.04 -0.68 0.93 -0.21 0.00 0.00 178.00 178.13 1frx h GLU 48 N 0.00 0.00 -6.25 1.05 4.39 -1.16 -3.46 114.58 109.16 1frx h GLU 48 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1frx h GLU 48 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1frx h GLU 48 CO 0.00 0.00 0.99 0.00 -1.16 0.00 0.00 179.01 178.84 1frx h PRO 50 N 8.82 0.41 0.00 0.00 0.11 -1.91 -2.70 132.00 136.73 1frx h PRO 50 Ca -0.35 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1frx h PRO 50 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1frx h PRO 50 CO 0.95 0.58 0.00 0.00 -0.21 0.00 0.00 178.00 179.32 1frx n ALA 51 N -2.48 2.21 -4.07 -0.75 0.00 -1.26 -4.90 120.51 109.26 1frx n ALA 51 Ca -0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 1frx n ALA 51 Cb 0.34 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1frx n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1frx n GLN 52 N -1.39 -2.86 0.03 0.00 1.13 -1.02 -4.83 117.38 108.43 1frx n GLN 52 Ca 0.09 0.34 0.11 0.00 -1.94 0.00 0.00 57.00 55.61 1frx n GLN 52 Cb 0.24 -4.48 -0.09 0.00 0.11 0.00 0.00 30.24 26.03 1frx n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frx n ALA 53 N -4.43 3.01 -2.50 -1.58 0.00 -1.26 -4.93 120.51 108.82 1frx n ALA 53 Ca -0.24 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.38 1frx n ALA 53 Cb 0.65 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1frx n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1frx s ILE 54 N -3.38 4.91 0.05 0.00 1.01 -1.26 -0.67 121.20 121.86 1frx s ILE 54 Ca -0.03 1.28 0.04 0.00 0.00 0.00 0.00 60.65 61.95 1frx s ILE 54 Cb 0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1frx s ILE 54 CO 0.86 0.40 -0.12 -0.36 0.00 0.00 0.00 174.94 175.72 1frx s PHE 55 N -0.11 1.05 0.47 3.97 0.40 -0.26 -4.85 117.98 118.65 1frx s PHE 55 Ca 0.32 -0.40 -0.24 0.00 -0.60 0.00 0.00 56.93 56.00 1frx s PHE 55 Cb -0.18 -0.61 -0.07 0.00 0.51 0.00 0.00 43.02 42.66 1frx s PHE 55 CO 0.18 0.01 1.35 0.45 0.70 0.00 0.00 175.22 177.90 1frx s SER 56 N -1.37 5.84 0.37 1.36 0.15 -1.26 0.12 113.70 118.90 1frx s SER 56 Ca -0.02 2.74 0.12 0.00 0.70 0.00 0.00 55.95 59.48 1frx s SER 56 Cb -0.09 -2.64 0.91 0.00 -1.71 0.00 0.00 66.02 62.50 1frx s SER 56 CO 0.01 -1.18 1.83 -0.08 1.20 0.00 0.00 173.24 175.02 1frx h GLU 57 N 2.13 0.57 0.00 5.44 4.81 -1.58 0.80 114.58 126.75 1frx h GLU 57 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1frx h GLU 57 Cb 1.27 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1frx h GLU 57 CO 0.60 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.86 1frx n ASP 58 N -4.61 0.00 -0.12 1.04 5.68 -1.26 -2.58 116.55 114.71 1frx n ASP 58 Ca 0.20 -0.33 0.01 0.00 -0.50 0.00 0.00 54.79 54.18 1frx n ASP 58 Cb 0.62 -0.20 0.02 0.00 -1.14 0.00 0.00 41.12 40.42 1frx n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1frx n GLU 59 N -1.20 0.42 -1.69 0.11 1.02 0.22 -5.01 120.64 114.51 1frx n GLU 59 Ca 0.15 -0.94 -0.44 0.00 -0.02 0.00 0.00 57.16 55.91 1frx n GLU 59 Cb 0.17 -1.05 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 1frx n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1frx n VAL 60 N 0.03 0.24 -0.90 2.62 0.31 -0.87 -4.83 118.33 114.93 1frx n VAL 60 Ca 0.02 -0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 63.97 1frx n VAL 60 Cb 0.13 -1.88 0.12 0.00 -0.91 0.00 0.00 33.84 31.30 1frx n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1frx n PRO 61 N 4.92 -0.15 -0.00 5.55 -0.02 -1.26 -4.81 135.00 139.22 1frx n PRO 61 Ca 0.18 0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 1frx n PRO 61 Cb 0.33 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1frx n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1frx h GLU 62 N -1.34 -0.10 0.00 -0.52 4.22 -2.02 -0.75 114.58 114.07 1frx h GLU 62 Ca -0.44 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.01 1frx h GLU 62 Cb 1.29 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1frx h GLU 62 CO 0.39 -0.07 0.00 -0.40 -2.18 0.00 0.00 179.01 176.75 1frx n ASP 63 N -5.24 0.00 -0.02 1.04 5.75 -1.26 -2.77 116.55 114.05 1frx n ASP 63 Ca -0.03 -0.63 0.03 0.00 -0.01 0.00 0.00 54.79 54.15 1frx n ASP 63 Cb 0.16 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.30 1frx n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1frx n MET 64 N -0.85 2.39 0.27 0.11 2.81 -0.29 -4.78 117.12 116.78 1frx n MET 64 Ca 0.08 -1.87 0.18 0.00 -1.81 0.00 0.00 57.70 54.28 1frx n MET 64 Cb 0.04 -1.17 0.92 0.00 -0.71 0.00 0.00 33.22 32.29 1frx n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1frx h GLN 65 N 0.00 0.00 -0.63 0.03 1.08 -1.51 -0.64 115.11 113.45 1frx h GLN 65 Ca 0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1frx h GLN 65 Cb 0.68 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1frx h GLN 65 CO 0.00 0.00 0.42 0.93 -0.95 0.00 0.00 178.83 179.23 1frx h GLU 66 N 0.00 0.81 -0.26 1.46 3.07 -1.87 -2.83 114.58 114.96 1frx h GLU 66 Ca 0.04 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1frx h GLU 66 Cb 0.46 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1frx h GLU 66 CO -0.00 0.53 0.11 0.74 -1.40 0.00 0.00 179.01 178.99 1frx h PHE 67 N 0.83 0.35 -0.16 4.33 0.04 -1.47 -0.81 116.94 120.05 1frx h PHE 67 Ca 0.23 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 1frx h PHE 67 Cb -0.06 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1frx h PHE 67 CO -0.00 0.27 0.10 0.82 -0.60 0.00 0.00 178.31 178.90 1frx h ILE 68 N 0.36 1.07 0.02 -0.55 2.04 -1.67 0.14 117.51 118.92 1frx h ILE 68 Ca 0.09 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 1frx h ILE 68 Cb 0.06 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1frx h ILE 68 CO -0.01 0.06 -0.93 -0.61 0.00 0.00 0.00 178.15 176.67 1frx h GLN 69 N 0.18 0.14 -0.26 2.37 4.15 -1.64 -3.07 115.11 116.98 1frx h GLN 69 Ca 0.06 -0.18 0.04 0.00 0.77 0.00 0.00 58.65 59.34 1frx h GLN 69 Cb 0.02 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1frx h GLN 69 CO -0.01 0.97 0.03 -0.07 -1.93 0.00 0.00 178.83 177.81 1frx h LEU 70 N 0.07 -0.04 -0.58 -2.39 3.38 -0.60 -1.66 115.31 113.49 1frx h LEU 70 Ca -0.04 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1frx h LEU 70 Cb 1.59 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.36 1frx h LEU 70 CO 0.14 0.01 0.28 0.78 0.09 0.00 0.00 178.44 179.74 1frx h ASN 71 N 0.11 0.39 -0.34 -0.43 -0.26 -0.75 -0.06 115.58 114.24 1frx h ASN 71 Ca 0.12 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 1frx h ASN 71 Cb 0.14 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1frx h ASN 71 CO -0.18 0.25 0.13 0.00 -1.06 0.00 0.00 177.43 176.57 1frx h ALA 72 N 1.33 0.44 -0.36 -0.83 0.00 -1.37 -1.78 119.26 116.69 1frx h ALA 72 Ca 0.27 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1frx h ALA 72 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1frx h ALA 72 CO -0.20 0.04 -0.07 0.93 0.00 0.00 0.00 179.25 179.94 1frx h GLU 73 N 0.39 0.68 0.00 0.00 4.39 -1.13 -3.22 114.58 115.69 1frx h GLU 73 Ca 0.11 -0.25 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 1frx h GLU 73 Cb 0.19 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1frx h GLU 73 CO -0.01 0.83 -0.67 -0.07 -1.16 0.00 0.00 179.01 177.94 1frx h LEU 74 N 0.47 0.00 -2.42 1.33 3.38 -0.99 -2.73 115.31 114.36 1frx h LEU 74 Ca 0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1frx h LEU 74 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1frx h LEU 74 CO 0.03 0.67 0.02 0.00 0.09 0.00 0.00 178.44 179.25 1frx h ALA 75 N 1.33 1.58 -0.00 1.53 0.00 -1.34 0.14 119.26 122.51 1frx h ALA 75 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1frx h ALA 75 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1frx h ALA 75 CO 0.09 -0.04 -0.06 0.39 0.00 0.00 0.00 179.25 179.63 1frx n GLU 76 N -3.88 0.06 -0.01 0.00 -0.58 -1.03 -4.18 120.64 111.03 1frx n GLU 76 Ca -0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1frx n GLU 76 Cb 0.11 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1frx n GLU 76 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1frx n VAL 77 N -1.46 0.12 -3.24 2.62 0.24 0.37 -5.04 118.33 111.94 1frx n VAL 77 Ca 0.08 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 1frx n VAL 77 Cb 0.33 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 1frx n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1frx s TRP 78 N -2.21 3.61 0.54 6.34 0.51 -0.38 -5.06 118.94 122.29 1frx s TRP 78 Ca -0.02 1.21 -0.21 0.00 -2.12 0.00 0.00 56.10 54.96 1frx s TRP 78 Cb 0.02 -2.48 -0.05 0.00 -0.81 0.00 0.00 33.47 30.15 1frx s TRP 78 CO 0.17 0.37 1.23 -1.25 -0.51 0.00 0.00 176.95 176.97 1frx s PRO 79 N -2.02 3.23 0.41 4.98 0.04 -1.25 -4.58 135.00 135.82 1frx s PRO 79 Ca 0.41 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 1frx s PRO 79 Cb -0.15 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1frx s PRO 79 CO 0.20 -1.02 1.29 1.21 0.04 0.00 0.00 177.00 178.72 1frx s ASN 80 N -1.39 6.30 -0.03 6.66 3.04 -1.26 -0.10 114.94 128.16 1frx s ASN 80 Ca 0.72 2.63 0.07 0.00 0.04 0.00 0.00 52.86 56.32 1frx s ASN 80 Cb -0.32 -2.64 -0.02 0.00 -1.54 0.00 0.00 41.25 36.73 1frx s ASN 80 CO 0.37 -0.85 -0.23 -0.51 -3.04 0.00 0.00 177.10 172.83 1frx s ILE 81 N -1.28 2.29 0.00 -5.21 2.07 -0.94 -4.73 121.20 113.41 1frx s ILE 81 Ca 0.57 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.80 1frx s ILE 81 Cb -0.37 -1.82 0.00 0.00 0.13 0.00 0.00 42.46 40.39 1frx s ILE 81 CO 0.48 0.58 0.02 0.35 -1.91 0.00 0.00 174.94 174.46 1frx n THR 82 N 2.51 0.00 -4.34 4.00 -2.24 -1.26 -4.59 114.28 108.35 1frx n THR 82 Ca -0.16 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1frx n THR 82 Cb 0.51 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 1frx n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1frx s GLU 83 N -0.54 2.63 0.73 -0.78 2.02 -1.26 -4.81 118.70 116.69 1frx s GLU 83 Ca 0.00 -0.70 -0.15 0.00 0.02 0.00 0.00 54.97 54.14 1frx s GLU 83 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.71 1frx s GLU 83 CO 0.00 0.60 1.21 0.21 0.02 0.00 0.00 175.26 177.30 1frx s LYS 84 N -1.60 2.11 0.15 1.61 2.20 -1.26 -4.97 119.74 117.98 1frx s LYS 84 Ca 0.19 1.77 0.03 0.00 -0.36 0.00 0.00 55.97 57.60 1frx s LYS 84 Cb -0.11 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1frx s LYS 84 CO 0.10 -1.86 0.11 0.36 -0.36 0.00 0.00 175.35 173.70 1frx n LYS 85 N -2.74 0.28 -2.42 4.03 2.85 -1.26 -5.11 118.16 113.79 1frx n LYS 85 Ca 0.14 -1.43 -0.38 0.00 -1.05 0.00 0.00 58.31 55.58 1frx n LYS 85 Cb 0.50 1.10 -0.03 0.00 -0.65 0.00 0.00 35.03 35.95 1frx n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1frx s ASP 86 N -2.01 6.84 0.59 -5.58 1.01 -1.26 -4.69 116.67 111.58 1frx s ASP 86 Ca 0.16 2.24 -0.19 0.00 0.71 0.00 0.00 52.55 55.46 1frx s ASP 86 Cb 0.01 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1frx s ASP 86 CO 0.11 -0.44 1.18 -2.65 0.21 0.00 0.00 175.17 173.58 1frx n PRO 87 N 0.41 1.20 -1.13 8.23 -0.02 -1.26 -4.90 135.00 137.54 1frx n PRO 87 Ca 0.03 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 1frx n PRO 87 Cb 0.47 -2.39 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1frx n PRO 87 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1frx n LEU 88 N -1.14 2.02 -0.28 2.45 4.77 -0.96 -4.86 117.00 118.99 1frx n LEU 88 Ca 0.13 0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 56.61 1frx n LEU 88 Cb 0.46 -1.32 0.06 0.00 -2.33 0.00 0.00 43.42 40.29 1frx n LEU 88 CO 0.50 -2.67 1.12 -0.65 -1.33 0.00 0.00 177.39 174.37 1frx h PRO 89 N -0.76 1.09 -0.89 3.23 0.11 -1.90 -1.79 132.00 131.09 1frx h PRO 89 Ca -0.46 -0.13 -0.39 0.00 0.11 0.00 0.00 66.00 65.13 1frx h PRO 89 Cb 1.32 -0.21 -0.23 0.00 0.11 0.00 0.00 31.00 31.98 1frx h PRO 89 CO 0.42 0.81 0.49 -0.25 -0.21 0.00 0.00 178.00 179.26 1frx n ASP 90 N -4.43 4.20 -0.29 -2.05 9.92 -1.26 -4.70 116.55 117.95 1frx n ASP 90 Ca 0.07 -3.45 0.03 0.00 -0.53 0.00 0.00 54.79 50.91 1frx n ASP 90 Cb 0.10 -0.80 0.17 0.00 -0.64 0.00 0.00 41.12 39.95 1frx n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1frx h ALA 91 N 1.70 1.16 0.00 2.24 0.00 -1.49 0.17 119.26 123.05 1frx h ALA 91 Ca 0.48 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1frx h ALA 91 Cb 2.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.33 1frx h ALA 91 CO 0.95 0.05 -0.28 0.93 0.00 0.00 0.00 179.25 180.91 1frx h GLU 92 N 0.74 0.00 -0.14 0.00 4.39 -1.86 -1.78 114.58 115.93 1frx h GLU 92 Ca 0.40 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.96 1frx h GLU 92 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1frx h GLU 92 CO -0.27 0.28 -0.51 -0.44 -1.16 0.00 0.00 179.01 176.91 1frx h ASP 93 N 0.00 0.41 0.70 1.42 3.32 -1.33 -3.13 116.42 117.80 1frx h ASP 93 Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1frx h ASP 93 Cb 0.72 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1frx h ASP 93 CO 0.04 0.85 -0.49 0.79 -1.72 0.00 0.00 179.24 178.70 1frx n TRP 94 N -3.96 0.22 -1.78 4.55 7.02 -1.13 -4.78 117.44 117.59 1frx n TRP 94 Ca -0.02 0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 56.09 1frx n TRP 94 Cb 0.56 -0.43 -0.03 0.00 -2.42 0.00 0.00 31.31 28.99 1frx n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1frx s ASP 95 N -3.47 5.98 0.00 -0.99 -1.08 -0.69 -1.93 116.67 114.49 1frx s ASP 95 Ca 0.09 2.00 0.00 0.00 -0.52 0.00 0.00 52.55 54.12 1frx s ASP 95 Cb 0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1frx s ASP 95 CO 0.69 -1.53 0.00 0.61 0.52 0.00 0.00 175.17 175.46 1frx n GLY 96 N 5.14 0.39 3.72 2.66 0.00 -1.26 -5.01 105.19 110.82 1frx n GLY 96 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1frx n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frx s VAL 97 N -2.00 4.04 0.66 1.61 1.01 -0.81 -5.03 120.40 119.88 1frx s VAL 97 Ca 0.00 1.53 -0.07 0.00 0.00 0.00 0.00 61.98 63.44 1frx s VAL 97 Cb 0.00 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1frx s VAL 97 CO 0.00 0.15 0.98 -1.59 0.00 0.00 0.00 175.10 174.64 1frx s LYS 98 N 0.72 2.60 -0.67 2.72 -2.85 -1.26 -4.34 119.74 116.65 1frx s LYS 98 Ca 0.56 -0.04 -0.00 0.00 -1.00 0.00 0.00 55.97 55.49 1frx s LYS 98 Cb -0.29 -2.19 0.00 0.00 -2.06 0.00 0.00 37.83 33.29 1frx s LYS 98 CO 0.31 -0.98 0.06 0.41 0.10 0.00 0.00 175.35 175.24 1frx n GLY 99 N -2.79 0.08 0.04 0.59 0.00 -1.26 -4.92 105.19 96.93 1frx n GLY 99 Ca 0.06 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.71 1frx n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frx n LYS 100 N -1.84 0.40 0.25 1.61 5.02 -1.26 -3.78 118.16 118.56 1frx n LYS 100 Ca -0.08 -0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1frx n LYS 100 Cb 0.57 -1.50 0.79 0.00 -0.02 0.00 0.00 35.03 34.87 1frx n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1frx h LEU 101 N 0.20 0.00 -1.99 -0.35 5.85 -1.91 -0.07 115.31 117.04 1frx h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1frx h LEU 101 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1frx h LEU 101 CO 0.00 0.00 0.00 0.06 -0.34 0.00 0.00 178.44 178.16 1frx h GLN 102 N 0.00 0.00 -0.07 1.25 3.07 -1.99 -1.46 115.11 115.90 1frx h GLN 102 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1frx h GLN 102 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1frx h GLN 102 CO -0.00 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.64 1frx n HIS 103 N -2.75 0.06 -1.84 0.06 8.25 -0.04 -4.98 115.22 113.99 1frx n HIS 103 Ca -0.01 -0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 1frx n HIS 103 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1frx n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1frx s LEU 104 N -1.92 4.37 -0.06 2.41 2.96 -0.55 -4.95 118.68 120.94 1frx s LEU 104 Ca 0.33 2.72 -0.02 0.00 -0.22 0.00 0.00 54.13 56.93 1frx s LEU 104 Cb 0.20 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1frx s LEU 104 CO 0.31 -0.90 0.06 -1.61 -1.32 0.00 0.00 176.35 172.89 1frx s GLU 105 N 1.40 3.11 0.00 1.98 2.02 -1.26 -5.11 118.70 120.84 1frx s GLU 105 Ca 0.73 -0.38 0.28 0.00 0.02 0.00 0.00 54.97 55.62 1frx s GLU 105 Cb -0.46 -2.90 1.02 0.00 0.10 0.00 0.00 34.13 31.88 1frx s GLU 105 CO 0.32 0.70 1.73 -2.13 0.02 0.00 0.00 175.26 175.89