#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 -5.83 0.03 0.13 -1.96 -3.46 132.00 120.91 1is7 h PRO 2 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1is7 h PRO 2 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1is7 h PRO 2 CO 0.00 0.66 -0.53 0.71 -0.23 0.00 0.00 178.00 178.61 1is7 s TYR 3 N -3.12 3.45 0.03 1.56 1.51 -1.26 -0.05 117.35 119.47 1is7 s TYR 3 Ca 0.01 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1is7 s TYR 3 Cb 0.10 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1is7 s TYR 3 CO 0.76 0.63 -0.07 -1.17 -1.11 0.00 0.00 175.55 174.59 1is7 s LEU 4 N -1.48 2.22 -0.06 -1.29 2.96 0.20 -5.00 118.68 116.22 1is7 s LEU 4 Ca 0.21 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1is7 s LEU 4 Cb -0.12 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.46 1is7 s LEU 4 CO 0.11 -0.18 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.12 1is7 s LEU 5 N -1.35 1.42 0.16 -0.68 1.43 -1.26 -0.53 118.68 117.87 1is7 s LEU 5 Ca -0.09 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1is7 s LEU 5 Cb -0.09 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1is7 s LEU 5 CO 0.00 -0.03 -0.11 0.27 0.23 0.00 0.00 176.35 176.71 1is7 s ILE 6 N 0.92 1.29 0.20 -0.59 -4.36 -0.85 -4.39 121.20 113.43 1is7 s ILE 6 Ca -0.10 -2.09 -0.23 0.00 -0.26 0.00 0.00 60.65 57.96 1is7 s ILE 6 Cb -0.15 -1.90 0.05 0.00 1.25 0.00 0.00 42.46 41.72 1is7 s ILE 6 CO 0.01 -0.71 0.68 -0.94 0.24 0.00 0.00 174.94 174.22 1is7 s SER 7 N -3.20 -0.42 0.21 4.36 1.04 -0.52 -0.89 113.70 114.29 1is7 s SER 7 Ca 0.18 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 1is7 s SER 7 Cb 0.02 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1is7 s SER 7 CO 0.02 -1.09 0.28 0.28 0.98 0.00 0.00 173.24 173.70 1is7 s THR 8 N -3.76 0.01 0.12 2.02 -1.32 -0.44 -0.45 115.64 111.83 1is7 s THR 8 Ca 0.06 -1.70 0.05 0.00 -1.21 0.00 0.00 61.69 58.88 1is7 s THR 8 Cb -0.03 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.62 1is7 s THR 8 CO -0.04 -0.05 -0.12 -1.10 -2.21 0.00 0.00 174.62 171.10 1is7 s GLN 9 N -4.08 0.98 0.00 7.08 -0.21 -1.26 -0.73 119.66 121.44 1is7 s GLN 9 Ca 0.30 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.41 1is7 s GLN 9 Cb 0.04 -0.74 0.00 0.00 1.00 0.00 0.00 33.01 33.31 1is7 s GLN 9 CO 0.09 0.12 0.00 -0.89 -2.12 0.00 0.00 175.29 172.50 1is7 n ILE 10 N 0.37 0.00 -4.05 1.08 5.41 -0.64 -4.63 119.36 116.89 1is7 n ILE 10 Ca -0.14 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 1is7 n ILE 10 Cb 0.58 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.38 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 0.35 0.09 0.38 1.81 -1.26 -5.06 118.95 115.26 1is7 s ARG 11 Ca 0.00 -0.35 0.19 0.00 -1.72 0.00 0.00 55.73 53.84 1is7 s ARG 11 Cb 0.00 -0.22 -0.11 0.00 -0.45 0.00 0.00 34.95 34.17 1is7 s ARG 11 CO 0.00 0.05 0.85 0.00 -0.68 0.00 0.00 175.30 175.52 1is7 n MET 12 N 2.40 0.62 0.00 3.54 0.00 -1.26 -4.13 117.12 118.29 1is7 n MET 12 Ca -0.17 0.17 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1is7 n MET 12 Cb 0.57 -1.79 0.13 0.00 0.00 0.00 0.00 33.22 32.13 1is7 n MET 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1is7 n GLU 13 N -2.79 0.91 -3.70 3.17 0.00 -1.26 -4.15 120.64 112.82 1is7 n GLU 13 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.97 1is7 n GLU 13 Cb 0.75 -1.07 -0.06 0.00 0.00 0.00 0.00 31.44 31.05 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 0.07 0.00 3.84 0.11 -1.26 -4.86 120.40 116.30 1is7 s VAL 14 Ca 0.06 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1is7 s VAL 14 Cb 0.03 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1is7 s VAL 14 CO 0.05 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 1is7 n GLY 15 N 0.40 -0.14 3.66 6.54 0.00 -1.26 -4.68 105.19 109.71 1is7 n GLY 15 Ca -0.18 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.84 0.41 -0.08 1.61 0.04 -1.26 -4.99 135.00 128.89 1is7 s PRO 16 Ca 0.00 0.64 0.01 0.00 0.04 0.00 0.00 61.00 61.70 1is7 s PRO 16 Cb 0.00 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1is7 s PRO 16 CO 0.00 -2.78 -0.10 0.99 0.04 0.00 0.00 177.00 175.15 1is7 s THR 17 N -2.88 1.05 -0.04 1.26 2.01 0.38 -4.51 115.64 112.91 1is7 s THR 17 Ca 0.65 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1is7 s THR 17 Cb -0.19 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1is7 s THR 17 CO 0.58 0.35 0.95 -0.04 -0.69 0.00 0.00 174.62 175.77 1is7 s MET 18 N 1.04 4.50 0.00 4.92 -1.94 0.41 -1.02 119.30 127.21 1is7 s MET 18 Ca -0.08 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 55.24 1is7 s MET 18 Cb -0.15 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1is7 s MET 18 CO -0.01 -0.11 0.20 1.33 -0.01 0.00 0.00 175.02 176.42 1is7 n VAL 19 N 4.08 0.00 -3.60 -6.03 0.24 0.34 -1.43 118.33 111.93 1is7 n VAL 19 Ca 0.06 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.86 1is7 n VAL 19 Cb 0.50 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.53 -0.34 0.30 7.63 0.00 -0.99 -4.78 107.32 108.62 1is7 s GLY 20 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 44.72 45.98 1is7 s GLY 20 CO 0.00 0.38 0.25 2.09 0.00 0.00 0.00 173.10 175.82 1is7 n ASP 21 N -0.23 1.87 -0.04 1.64 5.75 -1.26 0.22 116.55 124.51 1is7 n ASP 21 Ca -0.03 -2.02 0.14 0.00 -0.01 0.00 0.00 54.79 52.87 1is7 n ASP 21 Cb 0.60 -0.05 0.56 0.00 -1.03 0.00 0.00 41.12 41.21 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 0.26 -1.00 0.11 4.81 -1.94 -2.35 114.58 114.46 1is7 h GLU 22 Ca -0.19 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.51 1is7 h GLU 22 Cb 0.70 -0.06 -0.30 0.00 0.63 0.00 0.00 28.75 29.73 1is7 h GLU 22 CO 0.29 0.17 0.66 0.72 -0.73 0.00 0.00 179.01 180.12 1is7 n HIS 23 N -4.45 2.98 -2.68 0.92 8.25 -1.26 -4.97 115.22 114.00 1is7 n HIS 23 Ca 0.09 -1.93 -0.30 0.00 -0.26 0.00 0.00 57.72 55.32 1is7 n HIS 23 Cb 0.43 -0.98 -0.02 0.00 1.12 0.00 0.00 29.99 30.54 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 -1.26 6.44 -0.17 0.41 0.01 -0.89 -4.98 113.70 113.27 1is7 s SER 24 Ca 0.56 1.15 -0.29 0.00 1.31 0.00 0.00 55.95 58.67 1is7 s SER 24 Cb 0.46 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.31 1is7 s SER 24 CO 0.09 -0.50 1.88 -0.62 0.41 0.00 0.00 173.24 174.51 1is7 s ASP 25 N -3.46 6.10 0.37 2.44 -1.08 -1.26 -4.86 116.67 114.92 1is7 s ASP 25 Ca 0.51 1.92 0.09 0.00 -0.52 0.00 0.00 52.55 54.56 1is7 s ASP 25 Cb -0.10 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.68 1is7 s ASP 25 CO 0.36 -1.44 1.91 -0.65 0.52 0.00 0.00 175.17 175.88 1is7 h PRO 26 N 12.07 0.63 0.02 4.34 0.11 -1.97 -1.37 132.00 145.84 1is7 h PRO 26 Ca -0.39 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1is7 h PRO 26 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1is7 h PRO 26 CO 0.98 0.42 -0.01 0.93 -0.21 0.00 0.00 178.00 180.10 1is7 h GLU 27 N 0.65 -0.03 -0.75 1.05 5.08 -1.99 -1.50 114.58 117.09 1is7 h GLU 27 Ca 0.38 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1is7 h GLU 27 Cb 0.58 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1is7 h GLU 27 CO -0.15 0.32 0.45 1.25 -1.00 0.00 0.00 179.01 179.88 1is7 h LEU 28 N -0.38 0.72 -0.90 1.33 5.85 -1.84 0.80 115.31 120.88 1is7 h LEU 28 Ca -0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1is7 h LEU 28 Cb 0.36 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1is7 h LEU 28 CO 0.01 0.47 0.59 0.24 -0.34 0.00 0.00 178.44 179.42 1is7 h MET 29 N 0.85 1.17 -0.52 1.25 2.86 -1.17 -1.75 114.93 117.63 1is7 h MET 29 Ca 0.32 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1is7 h MET 29 Cb 0.11 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1is7 h MET 29 CO -0.15 0.78 -0.08 0.37 1.06 0.00 0.00 176.91 178.89 1is7 h GLN 30 N 1.21 0.97 -0.40 1.72 4.15 -0.19 -1.12 115.11 121.44 1is7 h GLN 30 Ca 0.33 -0.35 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1is7 h GLN 30 Cb -0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1is7 h GLN 30 CO -0.08 1.02 0.27 1.96 -1.93 0.00 0.00 178.83 180.06 1is7 h GLN 31 N 0.83 0.47 0.00 1.69 4.20 -0.31 -0.71 115.11 121.28 1is7 h GLN 31 Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1is7 h GLN 31 Cb 0.63 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1is7 h GLN 31 CO 0.04 0.31 -0.24 1.28 -0.67 0.00 0.00 178.83 179.56 1is7 n LEU 32 N -4.48 0.33 -1.12 1.46 4.77 -0.71 -4.93 117.00 112.32 1is7 n LEU 32 Ca 0.04 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.24 1is7 n LEU 32 Cb 0.11 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1is7 n LEU 32 CO 0.35 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 177.00 1is7 n GLY 33 N 1.46 0.18 3.74 -0.72 0.00 -0.27 -5.00 105.19 104.58 1is7 n GLY 33 Ca 0.06 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.63 3.28 0.44 4.61 0.00 -0.49 -4.87 121.76 122.10 1is7 s ALA 34 Ca 0.07 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1is7 s ALA 34 Cb -0.03 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1is7 s ALA 34 CO 0.09 0.06 0.69 -1.12 0.00 0.00 0.00 175.76 175.49 1is7 s SER 35 N -0.44 6.15 0.10 0.00 0.01 0.29 -4.79 113.70 115.01 1is7 s SER 35 Ca 0.45 0.64 0.09 0.00 1.31 0.00 0.00 55.95 58.44 1is7 s SER 35 Cb -0.24 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1is7 s SER 35 CO 0.31 -0.54 -0.24 -0.75 0.41 0.00 0.00 173.24 172.43 1is7 s LYS 36 N -4.58 1.34 0.08 12.44 2.20 -1.26 -1.12 119.74 128.84 1is7 s LYS 36 Ca 0.45 -1.18 -0.27 0.00 -0.36 0.00 0.00 55.97 54.61 1is7 s LYS 36 Cb -0.10 -1.65 0.08 0.00 -1.51 0.00 0.00 37.83 34.65 1is7 s LYS 36 CO 0.41 0.40 0.94 -0.98 -0.36 0.00 0.00 175.35 175.75 1is7 s ARG 37 N -1.76 1.02 -0.26 4.03 1.70 -0.60 -4.98 118.95 118.10 1is7 s ARG 37 Ca 0.10 -0.50 -0.01 0.00 -0.47 0.00 0.00 55.73 54.85 1is7 s ARG 37 Cb -0.10 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.75 1is7 s ARG 37 CO 0.04 -0.46 0.05 0.50 -1.08 0.00 0.00 175.30 174.35 1is7 s ARG 38 N -3.20 0.88 0.30 3.89 3.52 -1.26 -0.14 118.95 122.94 1is7 s ARG 38 Ca 0.09 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.55 1is7 s ARG 38 Cb -0.01 -2.18 -0.11 0.00 -1.56 0.00 0.00 34.95 31.10 1is7 s ARG 38 CO -0.03 -0.79 1.48 0.08 -0.81 0.00 0.00 175.30 175.23 1is7 s VAL 39 N 1.64 2.34 0.19 7.11 1.01 -1.26 -4.88 120.40 126.54 1is7 s VAL 39 Ca 0.03 0.30 -0.32 0.00 0.00 0.00 0.00 61.98 62.00 1is7 s VAL 39 Cb -0.18 -3.19 -0.16 0.00 0.00 0.00 0.00 36.38 32.86 1is7 s VAL 39 CO -0.15 0.06 1.05 -0.11 0.00 0.00 0.00 175.10 175.95 1is7 n LEU 40 N 1.66 1.17 0.00 3.92 0.00 -1.26 -0.93 117.00 121.56 1is7 n LEU 40 Ca 0.05 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.21 1is7 n LEU 40 Cb 0.39 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1is7 n LEU 40 CO 0.62 -1.55 0.00 0.61 0.00 0.00 0.00 177.39 177.07 1is7 n GLY 41 N 1.82 2.99 3.84 -3.96 0.00 -1.26 -5.02 105.19 103.60 1is7 n GLY 41 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.37 6.89 -0.68 1.61 0.02 -0.11 -4.98 114.94 117.31 1is7 s ASN 42 Ca 0.00 1.23 -0.01 0.00 -1.02 0.00 0.00 52.86 53.05 1is7 s ASN 42 Cb 0.00 -2.35 0.43 0.00 0.02 0.00 0.00 41.25 39.35 1is7 s ASN 42 CO 0.00 0.01 1.97 -0.46 0.02 0.00 0.00 177.10 178.64 1is7 n ASN 43 N 0.48 7.47 -3.52 -1.22 2.04 -1.26 -4.78 115.26 114.47 1is7 n ASN 43 Ca -0.02 -3.80 -0.11 0.00 -0.44 0.00 0.00 54.58 50.22 1is7 n ASN 43 Cb 0.52 -0.95 -0.03 0.00 -2.53 0.00 0.00 39.78 36.78 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 -3.87 -0.41 0.08 -2.53 -0.12 -1.26 -5.17 117.98 104.70 1is7 s PHE 44 Ca 0.61 0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 57.94 1is7 s PHE 44 Cb 0.49 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 43.33 1is7 s PHE 44 CO -0.10 -0.53 0.24 0.71 -0.05 0.00 0.00 175.22 175.49 1is7 s TYR 45 N -2.38 3.51 0.01 3.49 1.51 -1.26 -4.45 117.35 117.78 1is7 s TYR 45 Ca 0.01 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.38 1is7 s TYR 45 Cb -0.01 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1is7 s TYR 45 CO -0.04 0.56 -0.07 -1.83 -1.11 0.00 0.00 175.55 173.06 1is7 s GLU 46 N -2.59 0.54 -0.22 -0.62 -1.05 0.79 -3.10 118.70 112.45 1is7 s GLU 46 Ca 0.36 -0.37 -0.09 0.00 -0.15 0.00 0.00 54.97 54.72 1is7 s GLU 46 Cb -0.13 -0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.04 1is7 s GLU 46 CO 0.28 0.12 0.11 0.71 0.95 0.00 0.00 175.26 177.43 1is7 s TYR 47 N -0.45 3.27 0.30 4.83 1.51 0.13 -1.57 117.35 125.38 1is7 s TYR 47 Ca -0.00 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1is7 s TYR 47 Cb -0.04 -2.18 -0.06 0.00 -0.11 0.00 0.00 41.96 39.56 1is7 s TYR 47 CO -0.00 0.07 0.03 1.52 -1.11 0.00 0.00 175.55 176.06 1is7 s TYR 48 N 0.81 1.90 -0.01 2.71 -0.85 -0.27 -0.50 117.35 121.13 1is7 s TYR 48 Ca 0.06 -0.92 -0.06 0.00 -0.52 0.00 0.00 57.07 55.63 1is7 s TYR 48 Cb -0.13 -1.19 0.00 0.00 0.38 0.00 0.00 41.96 41.02 1is7 s TYR 48 CO 0.02 0.04 0.12 0.08 -1.52 0.00 0.00 175.55 174.29 1is7 s VAL 49 N -3.28 0.07 -1.77 -3.49 1.01 -0.19 -0.55 120.40 112.20 1is7 s VAL 49 Ca 0.34 -0.57 0.30 0.00 0.00 0.00 0.00 61.98 62.05 1is7 s VAL 49 Cb 0.08 -0.37 0.61 0.00 0.00 0.00 0.00 36.38 36.70 1is7 s VAL 49 CO 0.14 -0.31 2.01 0.59 0.00 0.00 0.00 175.10 177.52 1is7 n ASN 50 N 1.78 0.30 -4.86 3.32 4.13 -1.26 -0.47 115.26 118.20 1is7 n ASN 50 Ca -0.21 -0.67 -0.31 0.00 1.68 0.00 0.00 54.58 55.07 1is7 n ASN 50 Cb 0.56 -0.10 -0.00 0.00 -1.54 0.00 0.00 39.78 38.70 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 -2.32 6.34 0.49 6.41 1.01 -1.26 -4.13 116.67 123.21 1is7 s ASP 51 Ca 0.35 1.43 -0.21 0.00 0.71 0.00 0.00 52.55 54.83 1is7 s ASP 51 Cb 0.21 -2.47 -0.07 0.00 1.01 0.00 0.00 42.92 41.60 1is7 s ASP 51 CO 0.43 -0.77 1.10 -2.84 0.21 0.00 0.00 175.17 173.30 1is7 s PRO 52 N -4.84 3.68 0.47 8.23 0.02 -1.26 -3.81 135.00 137.48 1is7 s PRO 52 Ca 0.56 1.57 0.23 0.00 0.02 0.00 0.00 61.00 63.38 1is7 s PRO 52 Cb -0.11 -2.20 1.25 0.00 0.02 0.00 0.00 34.50 33.46 1is7 s PRO 52 CO 0.47 -0.57 1.87 -1.00 -0.33 0.00 0.00 177.00 177.44 1is7 h PRO 53 N 1.68 0.23 -0.67 5.54 0.13 -1.83 -1.45 132.00 135.62 1is7 h PRO 53 Ca -0.49 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1is7 h PRO 53 Cb 1.24 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1is7 h PRO 53 CO 0.59 0.15 0.39 -0.09 -0.23 0.00 0.00 178.00 178.81 1is7 h ARG 54 N 0.24 0.91 -0.32 0.86 2.43 -1.91 -0.73 114.38 115.85 1is7 h ARG 54 Ca 0.45 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1is7 h ARG 54 Cb 1.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1is7 h ARG 54 CO -0.11 0.66 0.12 0.82 -1.51 0.00 0.00 179.97 179.95 1is7 h ILE 55 N 0.91 1.19 -0.08 1.20 1.08 -1.64 -2.57 117.51 117.59 1is7 h ILE 55 Ca 0.24 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 1is7 h ILE 55 Cb -0.01 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1is7 h ILE 55 CO -0.04 0.20 -0.06 0.58 -0.69 0.00 0.00 178.15 178.14 1is7 h VAL 56 N 0.38 1.09 -0.28 1.67 2.07 -1.16 -2.17 116.25 117.85 1is7 h VAL 56 Ca 0.11 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 1is7 h VAL 56 Cb 0.20 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1is7 h VAL 56 CO -0.01 0.12 -0.38 -0.07 0.02 0.00 0.00 177.57 177.26 1is7 h LEU 57 N 0.12 0.70 0.15 2.57 3.38 -0.78 -1.38 115.31 120.06 1is7 h LEU 57 Ca 0.03 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1is7 h LEU 57 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1is7 h LEU 57 CO 0.01 1.00 -0.07 0.44 0.09 0.00 0.00 178.44 179.91 1is7 h ASP 58 N 0.55 -0.17 -0.67 -0.43 3.32 -1.03 -2.08 116.42 115.91 1is7 h ASP 58 Ca 0.05 -0.22 0.08 0.00 0.02 0.00 0.00 57.03 56.96 1is7 h ASP 58 Cb 0.90 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 1is7 h ASP 58 CO 0.08 0.13 0.33 0.11 -1.72 0.00 0.00 179.24 178.17 1is7 h LYS 59 N -0.48 0.56 0.00 3.56 1.57 -1.39 -1.08 116.57 119.31 1is7 h LYS 59 Ca -0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1is7 h LYS 59 Cb 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1is7 h LYS 59 CO 0.03 0.37 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.11 1is7 h LEU 60 N 0.58 0.00 -0.40 2.94 4.07 -1.15 -2.29 115.31 119.06 1is7 h LEU 60 Ca 0.32 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.10 1is7 h LEU 60 Cb 0.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1is7 h LEU 60 CO -0.25 0.10 -0.60 -0.08 -1.08 0.00 0.00 178.44 176.54 1is7 h GLU 61 N 0.00 0.66 -0.10 1.13 4.81 -0.47 -1.40 114.58 119.20 1is7 h GLU 61 Ca -0.00 -0.44 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1is7 h GLU 61 Cb 0.20 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1is7 h GLU 61 CO 0.01 1.06 0.07 0.00 -0.73 0.00 0.00 179.01 179.43 1is7 n ARG 63 N -4.51 2.56 -0.55 0.00 3.00 -1.08 -4.92 116.66 111.15 1is7 n ARG 63 Ca -0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 57.85 56.14 1is7 n ARG 63 Cb 0.17 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.03 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 0.85 0.71 3.89 -0.13 0.00 0.40 -5.05 105.19 105.85 1is7 n GLY 64 Ca 0.15 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.57 0.02 1.61 0.40 -0.55 -4.46 117.98 116.57 1is7 s PHE 65 Ca 0.00 0.51 0.06 0.00 -0.60 0.00 0.00 56.93 56.91 1is7 s PHE 65 Cb 0.00 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1is7 s PHE 65 CO 0.00 0.63 -0.19 0.50 0.70 0.00 0.00 175.22 176.86 1is7 s ARG 66 N -1.75 1.37 -0.17 0.44 3.52 0.22 -3.94 118.95 118.64 1is7 s ARG 66 Ca 0.27 -0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 54.78 1is7 s ARG 66 Cb -0.13 -1.40 -0.03 0.00 -1.56 0.00 0.00 34.95 31.84 1is7 s ARG 66 CO 0.16 0.37 1.49 0.08 -0.81 0.00 0.00 175.30 176.59 1is7 s VAL 67 N -0.65 3.88 -0.17 7.11 1.01 -1.26 -0.89 120.40 129.42 1is7 s VAL 67 Ca 0.06 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1is7 s VAL 67 Cb -0.08 -3.77 -0.23 0.00 0.00 0.00 0.00 36.38 32.30 1is7 s VAL 67 CO 0.01 -0.21 0.14 0.18 0.00 0.00 0.00 175.10 175.22 1is7 n LEU 68 N 7.50 2.74 -3.71 3.92 4.77 0.26 -4.95 117.00 127.53 1is7 n LEU 68 Ca 0.17 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1is7 n LEU 68 Cb 0.45 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1is7 n LEU 68 CO 0.61 0.87 0.11 -0.55 -1.33 0.00 0.00 177.39 177.11 1is7 s SER 69 N -6.86 -0.31 -0.03 -1.43 0.15 -1.10 -5.01 113.70 99.11 1is7 s SER 69 Ca -0.27 0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1is7 s SER 69 Cb 0.08 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1is7 s SER 69 CO 0.70 -0.46 -0.06 -0.32 1.20 0.00 0.00 173.24 174.30 1is7 s MET 70 N -1.17 0.85 0.07 5.44 1.75 -1.26 -0.14 119.30 124.83 1is7 s MET 70 Ca -0.12 -0.19 -0.12 0.00 -1.25 0.00 0.00 55.69 54.00 1is7 s MET 70 Cb -0.04 -0.82 0.02 0.00 2.84 0.00 0.00 34.83 36.83 1is7 s MET 70 CO 0.05 0.01 0.28 -0.08 -0.65 0.00 0.00 175.02 174.64 1is7 s THR 71 N 0.52 0.10 0.10 10.11 -1.32 -0.16 -5.00 115.64 119.99 1is7 s THR 71 Ca -0.07 -0.82 0.03 0.00 -1.21 0.00 0.00 61.69 59.62 1is7 s THR 71 Cb -0.11 -1.10 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1is7 s THR 71 CO 0.00 -0.45 0.14 -0.83 -2.21 0.00 0.00 174.62 171.27 1is7 s GLY 72 N -2.45 1.97 -0.29 6.08 0.00 -1.26 -0.53 107.32 110.84 1is7 s GLY 72 Ca -0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1is7 s GLY 72 CO -0.07 -1.00 0.60 0.54 0.00 0.00 0.00 173.10 173.16 1is7 s VAL 73 N -1.52 -0.95 0.00 1.40 0.11 -0.52 -4.98 120.40 113.95 1is7 s VAL 73 Ca 0.31 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1is7 s VAL 73 Cb -0.12 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 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 5.43 2.81 1.66 6.54 0.00 -1.26 -1.07 105.19 119.31 1is7 n GLY 74 Ca -0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 13.53 3.28 -4.45 1.61 1.13 -1.26 -4.95 117.38 126.27 1is7 n GLN 75 Ca 0.00 -3.06 -0.34 0.00 -1.94 0.00 0.00 57.00 51.66 1is7 n GLN 75 Cb 0.00 -2.09 -0.14 0.00 0.11 0.00 0.00 30.24 28.12 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 -3.01 3.09 -0.20 5.09 2.01 -0.23 -1.62 115.64 120.77 1is7 s THR 76 Ca 0.51 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 1is7 s THR 76 Cb 0.42 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1is7 s THR 76 CO 0.11 0.50 0.25 -0.22 -0.69 0.00 0.00 174.62 174.56 1is7 s LEU 77 N 0.76 4.18 -0.05 4.42 2.96 0.09 -1.43 118.68 129.61 1is7 s LEU 77 Ca -0.04 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 1is7 s LEU 77 Cb -0.15 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 1is7 s LEU 77 CO 0.01 0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.23 1is7 s VAL 78 N 0.79 1.58 -0.07 1.68 1.01 0.31 -1.32 120.40 124.37 1is7 s VAL 78 Ca 0.13 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1is7 s VAL 78 Cb -0.13 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1is7 s VAL 78 CO 0.04 0.45 -0.11 0.26 0.00 0.00 0.00 175.10 175.73 1is7 s TRP 79 N 0.07 2.81 -0.29 5.22 0.51 -0.07 -0.99 118.94 126.21 1is7 s TRP 79 Ca -0.06 -0.20 -0.03 0.00 -2.12 0.00 0.00 56.10 53.70 1is7 s TRP 79 Cb -0.13 -1.71 0.04 0.00 -0.81 0.00 0.00 33.47 30.86 1is7 s TRP 79 CO 0.03 0.15 -0.00 0.00 -0.51 0.00 0.00 176.95 176.62 1is7 s LEU 81 N 1.32 3.48 -0.02 0.00 1.02 0.31 -0.57 118.68 124.22 1is7 s LEU 81 Ca -0.02 -0.18 0.05 0.00 0.02 0.00 0.00 54.13 53.99 1is7 s LEU 81 Cb -0.18 -2.20 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 1is7 s LEU 81 CO -0.01 0.17 -0.16 -2.28 0.02 0.00 0.00 176.35 174.08 1is7 s HIS 82 N -1.36 1.43 0.00 0.29 2.46 -0.07 -0.63 115.29 117.42 1is7 s HIS 82 Ca 0.26 -0.30 0.00 0.00 0.47 0.00 0.00 55.06 55.49 1is7 s HIS 82 Cb -0.11 -0.94 0.00 0.00 -0.13 0.00 0.00 32.58 31.40 1is7 s HIS 82 CO 0.19 -0.05 0.00 1.17 -2.47 0.00 0.00 174.74 173.57 1is7 n LYS 83 N 2.80 0.00 0.00 2.88 4.81 0.93 -0.61 118.16 128.97 1is7 n LYS 83 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1is7 n LYS 83 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1is7 n LYS 83 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66