#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1is7 h PRO 2 N 0.00 0.00 -6.05 0.03 0.13 -1.96 -3.46 132.00 120.69 1is7 h PRO 2 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 1is7 h PRO 2 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1is7 h PRO 2 CO 0.00 0.52 -0.57 0.71 -0.23 0.00 0.00 178.00 178.42 1is7 s TYR 3 N -3.14 3.29 -0.01 1.56 1.51 -1.26 0.03 117.35 119.33 1is7 s TYR 3 Ca 0.02 0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1is7 s TYR 3 Cb 0.09 -1.70 -0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1is7 s TYR 3 CO 0.73 0.55 0.04 -1.17 -1.11 0.00 0.00 175.55 174.60 1is7 s LEU 4 N -2.07 1.87 -0.07 -1.29 2.96 0.65 -4.99 118.68 115.74 1is7 s LEU 4 Ca 0.27 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1is7 s LEU 4 Cb -0.12 0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.81 1is7 s LEU 4 CO 0.19 -0.14 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.18 1is7 s LEU 5 N -0.55 1.68 0.16 -0.68 1.43 -1.26 -0.05 118.68 119.41 1is7 s LEU 5 Ca -0.06 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1is7 s LEU 5 Cb -0.04 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1is7 s LEU 5 CO -0.00 0.04 -0.11 0.27 0.23 0.00 0.00 176.35 176.78 1is7 s ILE 6 N 0.70 1.33 0.18 -0.59 -4.36 -0.78 -4.41 121.20 113.27 1is7 s ILE 6 Ca -0.14 -2.10 -0.23 0.00 -0.26 0.00 0.00 60.65 57.92 1is7 s ILE 6 Cb -0.16 -1.90 0.06 0.00 1.25 0.00 0.00 42.46 41.71 1is7 s ILE 6 CO 0.03 -0.71 0.69 -0.94 0.24 0.00 0.00 174.94 174.26 1is7 s SER 7 N -3.21 -0.42 0.18 4.36 1.04 -0.44 -0.96 113.70 114.25 1is7 s SER 7 Ca 0.18 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 1is7 s SER 7 Cb 0.02 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1is7 s SER 7 CO 0.02 -1.06 0.23 0.28 0.98 0.00 0.00 173.24 173.69 1is7 s THR 8 N -3.71 0.04 0.12 2.02 -1.32 -0.62 0.24 115.64 112.41 1is7 s THR 8 Ca 0.06 -1.65 0.06 0.00 -1.21 0.00 0.00 61.69 58.94 1is7 s THR 8 Cb -0.03 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 1is7 s THR 8 CO -0.05 -0.20 -0.13 -1.10 -2.21 0.00 0.00 174.62 170.93 1is7 s GLN 9 N -4.04 1.02 0.00 7.08 -0.21 -1.26 -0.66 119.66 121.59 1is7 s GLN 9 Ca 0.25 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1is7 s GLN 9 Cb 0.04 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.20 1is7 s GLN 9 CO 0.05 0.16 0.00 -0.89 -2.12 0.00 0.00 175.29 172.49 1is7 n ILE 10 N 0.44 0.00 -4.01 1.08 5.41 -0.78 -4.65 119.36 116.85 1is7 n ILE 10 Ca -0.15 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 1is7 n ILE 10 Cb 0.57 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.37 1is7 n ILE 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1is7 s ARG 11 N 0.00 0.28 0.07 0.38 1.81 -1.26 -5.06 118.95 115.18 1is7 s ARG 11 Ca 0.00 -0.30 0.14 0.00 -1.72 0.00 0.00 55.73 53.86 1is7 s ARG 11 Cb 0.00 -0.16 -0.14 0.00 -0.45 0.00 0.00 34.95 34.20 1is7 s ARG 11 CO 0.00 0.04 0.92 0.00 -0.68 0.00 0.00 175.30 175.58 1is7 h MET 12 N 5.56 0.00 0.00 3.54 -0.00 -1.96 -3.36 114.93 118.71 1is7 h MET 12 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1is7 h MET 12 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1is7 h MET 12 CO 0.47 0.45 0.00 -0.85 -0.00 0.00 0.00 176.91 176.98 1is7 n GLU 13 N -3.03 0.78 -3.76 -0.10 0.00 -1.26 -4.16 120.64 109.12 1is7 n GLU 13 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 56.96 1is7 n GLU 13 Cb 0.89 -1.22 -0.07 0.00 0.00 0.00 0.00 31.44 31.04 1is7 n GLU 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1is7 s VAL 14 N -2.00 0.09 0.00 3.84 0.11 -1.26 -4.84 120.40 116.35 1is7 s VAL 14 Ca 0.17 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1is7 s VAL 14 Cb 0.08 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1is7 s VAL 14 CO 0.13 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1is7 n GLY 15 N 0.38 0.24 3.67 6.54 0.00 -1.26 -4.67 105.19 110.09 1is7 n GLY 15 Ca -0.18 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1is7 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1is7 s PRO 16 N -0.45 0.72 -0.09 1.61 0.04 -1.26 -4.97 135.00 130.59 1is7 s PRO 16 Ca 0.00 0.87 0.03 0.00 0.04 0.00 0.00 61.00 61.94 1is7 s PRO 16 Cb 0.00 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1is7 s PRO 16 CO 0.00 -2.62 -0.17 0.99 0.04 0.00 0.00 177.00 175.24 1is7 s THR 17 N -2.82 1.55 -0.08 1.26 2.01 0.73 -4.48 115.64 113.81 1is7 s THR 17 Ca 0.65 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 1is7 s THR 17 Cb -0.20 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1is7 s THR 17 CO 0.59 0.45 0.85 -0.04 -0.69 0.00 0.00 174.62 175.77 1is7 s MET 18 N 0.69 4.44 0.00 4.92 -1.94 0.14 -1.15 119.30 126.39 1is7 s MET 18 Ca -0.13 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.99 1is7 s MET 18 Cb -0.16 -3.49 -0.00 0.00 2.01 0.00 0.00 34.83 33.18 1is7 s MET 18 CO 0.03 -0.11 0.11 1.33 -0.01 0.00 0.00 175.02 176.37 1is7 n VAL 19 N 4.15 0.00 -3.63 -6.03 0.24 0.08 -1.33 118.33 111.80 1is7 n VAL 19 Ca 0.03 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.34 61.80 1is7 n VAL 19 Cb 0.50 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.86 1is7 n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1is7 s GLY 20 N -0.82 -0.35 0.26 7.63 0.00 -0.99 -4.76 107.32 108.30 1is7 s GLY 20 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.49 1is7 s GLY 20 CO 0.01 0.21 0.17 2.09 0.00 0.00 0.00 173.10 175.57 1is7 n ASP 21 N -0.35 1.98 0.02 1.64 5.75 -1.26 -0.03 116.55 124.29 1is7 n ASP 21 Ca -0.06 -1.94 0.10 0.00 -0.01 0.00 0.00 54.79 52.88 1is7 n ASP 21 Cb 0.61 0.01 0.54 0.00 -1.03 0.00 0.00 41.12 41.25 1is7 n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1is7 h GLU 22 N 0.00 0.30 -1.01 0.11 4.81 -1.95 -2.53 114.58 114.30 1is7 h GLU 22 Ca -0.17 -0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.51 1is7 h GLU 22 Cb 0.62 -0.07 -0.29 0.00 0.63 0.00 0.00 28.75 29.64 1is7 h GLU 22 CO 0.28 0.20 0.67 0.72 -0.73 0.00 0.00 179.01 180.15 1is7 n HIS 23 N -4.47 2.95 -2.82 0.92 8.25 -1.26 -4.97 115.22 113.81 1is7 n HIS 23 Ca 0.06 -2.05 -0.29 0.00 -0.26 0.00 0.00 57.72 55.18 1is7 n HIS 23 Cb 0.27 -1.03 -0.02 0.00 1.12 0.00 0.00 29.99 30.34 1is7 n HIS 23 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1is7 s SER 24 N -1.28 6.40 -0.17 0.41 0.01 -0.96 -4.99 113.70 113.13 1is7 s SER 24 Ca 0.56 0.99 -0.29 0.00 1.31 0.00 0.00 55.95 58.52 1is7 s SER 24 Cb 0.46 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 1is7 s SER 24 CO 0.08 -0.45 1.94 -0.62 0.41 0.00 0.00 173.24 174.60 1is7 s ASP 25 N -3.58 6.01 0.39 2.44 -1.08 -1.26 -4.86 116.67 114.73 1is7 s ASP 25 Ca 0.49 1.95 0.11 0.00 -0.52 0.00 0.00 52.55 54.57 1is7 s ASP 25 Cb -0.10 -2.52 0.90 0.00 -1.46 0.00 0.00 42.92 39.73 1is7 s ASP 25 CO 0.37 -1.51 1.93 -0.65 0.52 0.00 0.00 175.17 175.83 1is7 h PRO 26 N 12.51 0.57 0.04 4.34 0.11 -1.97 -1.17 132.00 146.44 1is7 h PRO 26 Ca -0.40 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1is7 h PRO 26 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1is7 h PRO 26 CO 0.97 0.38 -0.02 0.93 -0.21 0.00 0.00 178.00 180.05 1is7 h GLU 27 N 0.58 -0.06 -0.86 1.05 5.08 -1.99 -1.21 114.58 117.17 1is7 h GLU 27 Ca 0.35 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1is7 h GLU 27 Cb 0.56 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1is7 h GLU 27 CO -0.12 0.32 0.55 1.25 -1.00 0.00 0.00 179.01 180.00 1is7 h LEU 28 N -0.44 0.90 -0.58 1.33 5.85 -1.85 0.11 115.31 120.63 1is7 h LEU 28 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1is7 h LEU 28 Cb 0.40 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1is7 h LEU 28 CO 0.01 0.60 0.36 0.24 -0.34 0.00 0.00 178.44 179.31 1is7 h MET 29 N 1.05 0.79 -0.66 1.25 2.86 -1.15 -1.82 114.93 117.23 1is7 h MET 29 Ca 0.36 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1is7 h MET 29 Cb 0.07 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1is7 h MET 29 CO -0.14 0.56 0.13 0.37 1.06 0.00 0.00 176.91 178.90 1is7 h GLN 30 N 0.79 1.06 -0.30 1.72 4.15 0.06 -1.61 115.11 120.97 1is7 h GLN 30 Ca 0.21 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1is7 h GLN 30 Cb -0.03 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1is7 h GLN 30 CO -0.04 0.96 0.14 1.96 -1.93 0.00 0.00 178.83 179.91 1is7 h GLN 31 N 1.00 0.42 0.00 1.69 4.20 -0.34 -1.22 115.11 120.86 1is7 h GLN 31 Ca 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1is7 h GLN 31 Cb 0.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1is7 h GLN 31 CO 0.01 0.34 -0.26 1.28 -0.67 0.00 0.00 178.83 179.52 1is7 n LEU 32 N -4.43 0.51 -0.54 1.46 4.77 -0.73 -4.92 117.00 113.12 1is7 n LEU 32 Ca 0.01 0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1is7 n LEU 32 Cb 0.12 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1is7 n LEU 32 CO 0.36 -0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.95 1is7 n GLY 33 N 1.40 0.25 3.74 -0.72 0.00 -0.46 -5.00 105.19 104.40 1is7 n GLY 33 Ca 0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1is7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1is7 s ALA 34 N -2.30 3.30 0.43 4.61 0.00 -0.69 -4.86 121.76 122.25 1is7 s ALA 34 Ca 0.01 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1is7 s ALA 34 Cb -0.01 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1is7 s ALA 34 CO 0.02 0.08 0.65 -1.12 0.00 0.00 0.00 175.76 175.38 1is7 s SER 35 N -0.59 5.89 0.06 0.00 0.01 0.07 -4.76 113.70 114.38 1is7 s SER 35 Ca 0.44 0.28 0.08 0.00 1.31 0.00 0.00 55.95 58.06 1is7 s SER 35 Cb -0.25 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1is7 s SER 35 CO 0.31 -0.64 -0.22 -0.75 0.41 0.00 0.00 173.24 172.35 1is7 s LYS 36 N -4.51 1.37 0.14 12.44 2.20 -1.26 -1.09 119.74 129.03 1is7 s LYS 36 Ca 0.47 -1.04 -0.25 0.00 -0.36 0.00 0.00 55.97 54.79 1is7 s LYS 36 Cb -0.10 -1.56 0.07 0.00 -1.51 0.00 0.00 37.83 34.73 1is7 s LYS 36 CO 0.37 0.39 0.87 -0.98 -0.36 0.00 0.00 175.35 175.64 1is7 s ARG 37 N -1.42 1.22 -0.27 4.03 1.70 -0.58 -4.98 118.95 118.65 1is7 s ARG 37 Ca 0.08 -0.62 -0.01 0.00 -0.47 0.00 0.00 55.73 54.71 1is7 s ARG 37 Cb -0.09 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.83 1is7 s ARG 37 CO 0.03 -0.55 0.06 0.50 -1.08 0.00 0.00 175.30 174.26 1is7 s ARG 38 N -3.41 0.79 0.33 3.89 3.52 -1.26 -0.30 118.95 122.51 1is7 s ARG 38 Ca 0.09 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 1is7 s ARG 38 Cb -0.02 -2.08 -0.11 0.00 -1.56 0.00 0.00 34.95 31.18 1is7 s ARG 38 CO -0.01 -0.84 1.56 0.08 -0.81 0.00 0.00 175.30 175.27 1is7 s VAL 39 N 1.67 2.02 0.14 7.11 1.01 -1.26 -4.86 120.40 126.23 1is7 s VAL 39 Ca 0.05 0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.70 1is7 s VAL 39 Cb -0.17 -3.01 -0.16 0.00 0.00 0.00 0.00 36.38 33.04 1is7 s VAL 39 CO -0.18 0.00 1.25 -0.11 0.00 0.00 0.00 175.10 176.06 1is7 n LEU 40 N 1.37 1.69 0.00 3.92 0.00 -1.26 -1.03 117.00 121.68 1is7 n LEU 40 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.19 1is7 n LEU 40 Cb 0.38 -1.22 0.00 0.00 0.00 0.00 0.00 43.42 42.58 1is7 n LEU 40 CO 0.64 -1.14 0.00 0.61 0.00 0.00 0.00 177.39 177.50 1is7 n GLY 41 N 2.25 3.08 3.83 -3.96 0.00 -1.26 -5.03 105.19 104.10 1is7 n GLY 41 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1is7 n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1is7 s ASN 42 N -0.20 6.94 -0.69 1.61 0.02 -0.20 -4.98 114.94 117.44 1is7 s ASN 42 Ca 0.00 1.28 -0.02 0.00 -1.02 0.00 0.00 52.86 53.10 1is7 s ASN 42 Cb 0.00 -2.37 0.41 0.00 0.02 0.00 0.00 41.25 39.31 1is7 s ASN 42 CO 0.00 0.02 2.05 -0.46 0.02 0.00 0.00 177.10 178.73 1is7 n ASN 43 N 0.59 7.60 -3.51 -1.22 2.04 -1.26 -4.79 115.26 114.72 1is7 n ASN 43 Ca -0.02 -3.76 -0.10 0.00 -0.44 0.00 0.00 54.58 50.25 1is7 n ASN 43 Cb 0.52 -1.01 -0.03 0.00 -2.53 0.00 0.00 39.78 36.73 1is7 n ASN 43 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 1is7 s PHE 44 N -3.77 -0.40 0.11 -2.53 -0.12 -1.26 -5.17 117.98 104.85 1is7 s PHE 44 Ca 0.60 0.42 0.02 0.00 -0.05 0.00 0.00 56.93 57.92 1is7 s PHE 44 Cb 0.48 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 43.34 1is7 s PHE 44 CO -0.11 -0.53 0.24 0.71 -0.05 0.00 0.00 175.22 175.48 1is7 s TYR 45 N -2.50 3.46 0.02 3.49 1.51 -1.26 -4.44 117.35 117.63 1is7 s TYR 45 Ca 0.01 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.24 1is7 s TYR 45 Cb -0.01 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1is7 s TYR 45 CO -0.05 0.54 -0.05 -1.83 -1.11 0.00 0.00 175.55 173.05 1is7 s GLU 46 N -2.92 0.39 -0.20 -0.62 -1.05 0.59 -3.33 118.70 111.55 1is7 s GLU 46 Ca 0.34 -0.48 -0.07 0.00 -0.15 0.00 0.00 54.97 54.61 1is7 s GLU 46 Cb -0.12 -0.21 -0.04 0.00 -0.44 0.00 0.00 34.13 33.32 1is7 s GLU 46 CO 0.28 0.04 0.06 0.71 0.95 0.00 0.00 175.26 177.30 1is7 s TYR 47 N -0.87 3.19 0.30 4.83 1.51 0.95 -1.53 117.35 125.73 1is7 s TYR 47 Ca -0.07 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1is7 s TYR 47 Cb -0.07 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.60 1is7 s TYR 47 CO -0.00 -0.00 0.04 1.52 -1.11 0.00 0.00 175.55 176.00 1is7 s TYR 48 N 0.74 1.87 -0.05 2.71 -0.85 -0.25 -0.75 117.35 120.78 1is7 s TYR 48 Ca 0.03 -0.94 -0.07 0.00 -0.52 0.00 0.00 57.07 55.57 1is7 s TYR 48 Cb -0.13 -1.18 0.01 0.00 0.38 0.00 0.00 41.96 41.04 1is7 s TYR 48 CO 0.02 0.00 0.18 0.08 -1.52 0.00 0.00 175.55 174.32 1is7 s VAL 49 N -3.32 0.02 -1.73 -3.49 1.01 -0.30 -0.75 120.40 111.84 1is7 s VAL 49 Ca 0.35 -0.19 0.28 0.00 0.00 0.00 0.00 61.98 62.42 1is7 s VAL 49 Cb 0.08 -0.33 0.66 0.00 0.00 0.00 0.00 36.38 36.79 1is7 s VAL 49 CO 0.14 -0.11 2.01 0.59 0.00 0.00 0.00 175.10 177.73 1is7 n ASN 50 N 2.52 0.00 -4.84 3.32 4.13 -1.26 -0.19 115.26 118.94 1is7 n ASN 50 Ca -0.15 -0.53 -0.32 0.00 1.68 0.00 0.00 54.58 55.26 1is7 n ASN 50 Cb 0.58 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 1is7 n ASN 50 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1is7 s ASP 51 N -2.27 6.56 0.50 6.41 1.01 -1.26 -4.07 116.67 123.55 1is7 s ASP 51 Ca 0.35 1.56 -0.21 0.00 0.71 0.00 0.00 52.55 54.96 1is7 s ASP 51 Cb 0.19 -2.51 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 1is7 s ASP 51 CO 0.37 -0.63 1.14 -2.84 0.21 0.00 0.00 175.17 173.43 1is7 s PRO 52 N -4.18 3.57 0.46 8.23 0.02 -1.26 -3.84 135.00 138.01 1is7 s PRO 52 Ca 0.59 1.68 0.24 0.00 0.02 0.00 0.00 61.00 63.52 1is7 s PRO 52 Cb -0.10 -2.21 1.25 0.00 0.02 0.00 0.00 34.50 33.46 1is7 s PRO 52 CO 0.34 -0.68 1.85 -1.00 -0.33 0.00 0.00 177.00 177.18 1is7 h PRO 53 N 1.63 0.23 -0.69 5.54 0.13 -1.83 -0.75 132.00 136.26 1is7 h PRO 53 Ca -0.50 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1is7 h PRO 53 Cb 1.25 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1is7 h PRO 53 CO 0.59 0.15 0.31 -0.09 -0.23 0.00 0.00 178.00 178.73 1is7 h ARG 54 N 0.24 1.00 -0.13 0.86 2.43 -1.91 -0.17 114.38 116.71 1is7 h ARG 54 Ca 0.48 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1is7 h ARG 54 Cb 1.46 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1is7 h ARG 54 CO -0.13 0.79 -0.04 0.82 -1.51 0.00 0.00 179.97 179.90 1is7 h ILE 55 N 0.99 1.29 -0.19 1.20 1.08 -1.51 -2.79 117.51 117.59 1is7 h ILE 55 Ca 0.24 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.73 1is7 h ILE 55 Cb 0.13 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1is7 h ILE 55 CO -0.03 0.29 0.13 0.58 -0.69 0.00 0.00 178.15 178.42 1is7 h VAL 56 N -0.07 1.03 -0.47 1.67 2.07 -1.09 -2.07 116.25 117.31 1is7 h VAL 56 Ca 0.03 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1is7 h VAL 56 Cb 0.46 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1is7 h VAL 56 CO 0.01 0.04 -0.13 -0.07 0.02 0.00 0.00 177.57 177.45 1is7 h LEU 57 N 0.22 0.93 0.03 2.57 3.38 -0.84 -1.50 115.31 120.10 1is7 h LEU 57 Ca 0.07 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1is7 h LEU 57 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1is7 h LEU 57 CO -0.01 1.08 -0.02 0.44 0.09 0.00 0.00 178.44 180.02 1is7 h ASP 58 N 0.77 -0.04 -0.78 -0.43 3.32 -1.13 -1.62 116.42 116.51 1is7 h ASP 58 Ca 0.12 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.11 1is7 h ASP 58 Cb 0.68 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.18 1is7 h ASP 58 CO 0.05 0.12 0.45 0.11 -1.72 0.00 0.00 179.24 178.24 1is7 h LYS 59 N -0.19 0.76 0.00 3.56 1.57 -1.39 -1.60 116.57 119.26 1is7 h LYS 59 Ca -0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1is7 h LYS 59 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1is7 h LYS 59 CO 0.01 0.50 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.11 1is7 h LEU 60 N 0.78 0.00 -0.55 2.94 4.07 -0.99 -2.25 115.31 119.31 1is7 h LEU 60 Ca 0.36 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 58.17 1is7 h LEU 60 Cb 0.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1is7 h LEU 60 CO -0.22 0.21 -0.50 -0.08 -1.08 0.00 0.00 178.44 176.76 1is7 h GLU 61 N 0.00 0.57 0.00 1.13 4.81 -0.31 -1.32 114.58 119.46 1is7 h GLU 61 Ca -0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1is7 h GLU 61 Cb 0.37 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1is7 h GLU 61 CO 0.03 0.94 -0.03 0.00 -0.73 0.00 0.00 179.01 179.22 1is7 n ARG 63 N -4.51 1.90 -0.32 0.00 3.00 -1.02 -4.92 116.66 110.78 1is7 n ARG 63 Ca -0.03 -1.40 0.00 0.00 -0.01 0.00 0.00 57.85 56.41 1is7 n ARG 63 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.27 1is7 n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1is7 n GLY 64 N 1.12 0.83 3.89 -0.13 0.00 0.02 -5.06 105.19 105.87 1is7 n GLY 64 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1is7 n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1is7 s PHE 65 N -2.02 3.54 0.02 1.61 0.40 -0.53 -4.45 117.98 116.56 1is7 s PHE 65 Ca 0.00 0.53 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 1is7 s PHE 65 Cb 0.00 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 1is7 s PHE 65 CO 0.00 0.55 -0.17 0.50 0.70 0.00 0.00 175.22 176.80 1is7 s ARG 66 N -2.15 1.22 -0.14 0.44 3.52 -0.44 -3.92 118.95 117.48 1is7 s ARG 66 Ca 0.33 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 1is7 s ARG 66 Cb -0.13 -1.24 -0.02 0.00 -1.56 0.00 0.00 34.95 32.00 1is7 s ARG 66 CO 0.21 0.32 1.38 0.08 -0.81 0.00 0.00 175.30 176.48 1is7 s VAL 67 N -0.65 4.08 -0.17 7.11 1.01 -1.26 -0.91 120.40 129.61 1is7 s VAL 67 Ca 0.05 1.30 -0.00 0.00 0.00 0.00 0.00 61.98 63.33 1is7 s VAL 67 Cb -0.07 -3.86 -0.23 0.00 0.00 0.00 0.00 36.38 32.22 1is7 s VAL 67 CO 0.01 -0.14 0.16 0.18 0.00 0.00 0.00 175.10 175.31 1is7 n LEU 68 N 6.85 2.44 -3.64 3.92 4.77 0.30 -4.95 117.00 126.69 1is7 n LEU 68 Ca 0.15 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1is7 n LEU 68 Cb 0.44 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 1is7 n LEU 68 CO 0.58 0.82 0.26 -0.55 -1.33 0.00 0.00 177.39 177.17 1is7 s SER 69 N -6.67 -0.48 -0.05 -1.43 0.15 -1.12 -5.01 113.70 99.09 1is7 s SER 69 Ca -0.25 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.03 1is7 s SER 69 Cb 0.08 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1is7 s SER 69 CO 0.72 -0.46 -0.11 -0.32 1.20 0.00 0.00 173.24 174.27 1is7 s MET 70 N -0.90 1.41 0.05 5.44 1.75 -1.26 0.05 119.30 125.83 1is7 s MET 70 Ca -0.09 -0.36 -0.10 0.00 -1.25 0.00 0.00 55.69 53.88 1is7 s MET 70 Cb -0.03 -1.22 0.01 0.00 2.84 0.00 0.00 34.83 36.43 1is7 s MET 70 CO 0.06 0.06 0.22 -0.08 -0.65 0.00 0.00 175.02 174.63 1is7 s THR 71 N 0.52 0.11 0.08 10.11 -1.32 0.29 -4.99 115.64 120.44 1is7 s THR 71 Ca -0.10 -0.88 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 1is7 s THR 71 Cb -0.13 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 1is7 s THR 71 CO 0.02 -0.49 0.12 -0.83 -2.21 0.00 0.00 174.62 171.24 1is7 s GLY 72 N -2.21 2.06 -0.28 6.08 0.00 -1.26 -0.20 107.32 111.50 1is7 s GLY 72 Ca -0.03 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 1is7 s GLY 72 CO -0.05 -0.95 0.56 0.54 0.00 0.00 0.00 173.10 173.20 1is7 s VAL 73 N -1.44 -0.89 0.00 1.40 0.11 -0.25 -4.98 120.40 114.35 1is7 s VAL 73 Ca 0.31 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1is7 s VAL 73 Cb -0.12 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1is7 s VAL 73 CO 0.24 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1is7 n GLY 74 N 5.42 2.60 1.56 6.54 0.00 -1.26 -1.07 105.19 118.98 1is7 n GLY 74 Ca -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1is7 n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1is7 n GLN 75 N 13.44 2.91 -4.75 1.61 1.13 -1.26 -4.94 117.38 125.52 1is7 n GLN 75 Ca 0.00 -3.05 -0.33 0.00 -1.94 0.00 0.00 57.00 51.68 1is7 n GLN 75 Cb 0.00 -2.03 -0.14 0.00 0.11 0.00 0.00 30.24 28.18 1is7 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1is7 s THR 76 N -3.06 3.13 -0.23 5.09 2.01 -0.23 -1.86 115.64 120.48 1is7 s THR 76 Ca 0.50 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1is7 s THR 76 Cb 0.41 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1is7 s THR 76 CO 0.09 0.52 0.12 -0.22 -0.69 0.00 0.00 174.62 174.44 1is7 s LEU 77 N 0.32 3.88 -0.05 4.42 2.96 0.16 -1.09 118.68 129.27 1is7 s LEU 77 Ca -0.10 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 1is7 s LEU 77 Cb -0.16 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1is7 s LEU 77 CO 0.05 0.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.21 1is7 s VAL 78 N 1.13 1.90 -0.10 1.68 1.01 0.72 -1.59 120.40 125.14 1is7 s VAL 78 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1is7 s VAL 78 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1is7 s VAL 78 CO 0.04 0.53 -0.14 0.26 0.00 0.00 0.00 175.10 175.79 1is7 s TRP 79 N -0.11 2.75 -0.30 5.22 0.51 -0.14 -0.55 118.94 126.33 1is7 s TRP 79 Ca -0.04 -0.54 -0.07 0.00 -2.12 0.00 0.00 56.10 53.34 1is7 s TRP 79 Cb -0.13 -1.77 0.01 0.00 -0.81 0.00 0.00 33.47 30.77 1is7 s TRP 79 CO 0.03 -0.11 0.09 0.00 -0.51 0.00 0.00 176.95 176.45 1is7 s LEU 81 N 1.52 3.13 -0.05 0.00 1.02 0.93 -0.54 118.68 124.69 1is7 s LEU 81 Ca 0.03 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 53.90 1is7 s LEU 81 Cb -0.17 -1.89 0.01 0.00 0.02 0.00 0.00 46.19 44.15 1is7 s LEU 81 CO 0.03 0.20 -0.14 -2.28 0.02 0.00 0.00 176.35 174.18 1is7 s HIS 82 N -1.19 1.50 0.00 0.29 2.46 -0.09 -0.26 115.29 118.01 1is7 s HIS 82 Ca 0.21 -0.49 0.00 0.00 0.47 0.00 0.00 55.06 55.25 1is7 s HIS 82 Cb -0.11 -1.06 0.00 0.00 -0.13 0.00 0.00 32.58 31.28 1is7 s HIS 82 CO 0.13 -0.22 0.00 1.17 -2.47 0.00 0.00 174.74 173.35 1is7 n LYS 83 N 3.51 0.00 0.00 2.88 4.81 0.10 -1.33 118.16 128.13 1is7 n LYS 83 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 1is7 n LYS 83 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1is7 n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66