#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 -6.02 0.03 0.13 -1.96 -3.46 132.00 120.72 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 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1is7 h PRO 2 CO 0.00 0.62 -0.55 0.71 -0.23 0.00 0.00 178.00 178.55 1is7 s TYR 3 N -3.08 3.35 0.00 1.56 1.51 -1.26 -0.32 117.35 119.11 1is7 s TYR 3 Ca 0.02 0.19 -0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1is7 s TYR 3 Cb 0.09 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1is7 s TYR 3 CO 0.75 0.56 0.03 -1.17 -1.11 0.00 0.00 175.55 174.62 1is7 s LEU 4 N -2.20 1.95 -0.07 -1.29 2.96 0.50 -5.00 118.68 115.54 1is7 s LEU 4 Ca 0.29 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1is7 s LEU 4 Cb -0.12 0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.80 1is7 s LEU 4 CO 0.21 -0.19 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.16 1is7 s LEU 5 N -0.83 1.64 0.19 -0.68 1.43 -1.26 -0.50 118.68 118.67 1is7 s LEU 5 Ca -0.09 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1is7 s LEU 5 Cb -0.06 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1is7 s LEU 5 CO -0.00 0.03 -0.08 0.27 0.23 0.00 0.00 176.35 176.79 1is7 s ILE 6 N 0.73 1.29 0.17 -0.59 -4.36 -0.72 -4.39 121.20 113.33 1is7 s ILE 6 Ca -0.13 -2.09 -0.23 0.00 -0.26 0.00 0.00 60.65 57.93 1is7 s ILE 6 Cb -0.16 -2.05 0.06 0.00 1.25 0.00 0.00 42.46 41.56 1is7 s ILE 6 CO 0.03 -0.59 0.73 -0.94 0.24 0.00 0.00 174.94 174.41 1is7 s SER 7 N -3.25 -0.39 0.20 4.36 1.04 -0.50 -1.10 113.70 114.07 1is7 s SER 7 Ca 0.22 -0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.32 1is7 s SER 7 Cb 0.03 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1is7 s SER 7 CO 0.05 -1.03 0.30 0.28 0.98 0.00 0.00 173.24 173.82 1is7 s THR 8 N -3.65 0.02 0.12 2.02 -1.32 -0.56 -0.04 115.64 112.24 1is7 s THR 8 Ca 0.06 -1.59 0.05 0.00 -1.21 0.00 0.00 61.69 59.00 1is7 s THR 8 Cb -0.03 -2.17 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1is7 s THR 8 CO -0.04 -0.11 -0.13 -1.10 -2.21 0.00 0.00 174.62 171.03 1is7 s GLN 9 N -4.05 1.00 0.00 7.08 -0.21 -1.26 -0.97 119.66 121.25 1is7 s GLN 9 Ca 0.26 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1is7 s GLN 9 Cb 0.03 -0.79 0.00 0.00 1.00 0.00 0.00 33.01 33.25 1is7 s GLN 9 CO 0.07 0.14 0.00 -0.89 -2.12 0.00 0.00 175.29 172.49 1is7 n ILE 10 N 0.40 0.00 -4.07 1.08 5.41 -0.77 -4.67 119.36 116.75 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 0.58 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 0.43 0.04 0.38 1.81 -1.26 -5.06 118.95 115.29 1is7 s ARG 11 Ca 0.00 -0.50 0.16 0.00 -1.72 0.00 0.00 55.73 53.67 1is7 s ARG 11 Cb 0.00 -0.26 -0.16 0.00 -0.45 0.00 0.00 34.95 34.08 1is7 s ARG 11 CO 0.00 0.05 0.80 0.00 -0.68 0.00 0.00 175.30 175.47 1is7 h MET 12 N 5.13 0.00 0.00 3.54 -0.00 -1.96 -3.37 114.93 118.27 1is7 h MET 12 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 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 0.45 0.35 0.00 -0.85 -0.00 0.00 0.00 176.91 176.86 1is7 n GLU 13 N -2.94 0.77 -3.66 -0.10 0.00 -1.26 -4.13 120.64 109.32 1is7 n GLU 13 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 56.93 1is7 n GLU 13 Cb 0.89 -1.08 -0.06 0.00 0.00 0.00 0.00 31.44 31.19 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 0.06 0.00 3.84 0.11 -1.26 -4.86 120.40 116.29 1is7 s VAL 14 Ca 0.06 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 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 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 1is7 n GLY 15 N 0.37 0.35 3.69 6.54 0.00 -1.26 -4.67 105.19 110.22 1is7 n GLY 15 Ca -0.18 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.04 1.02 -0.09 1.61 0.04 -1.26 -4.97 135.00 131.31 1is7 s PRO 16 Ca 0.00 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.02 1is7 s PRO 16 Cb 0.00 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1is7 s PRO 16 CO 0.00 -2.44 -0.18 0.99 0.04 0.00 0.00 177.00 175.41 1is7 s THR 17 N -2.83 1.64 -0.08 1.26 2.01 0.74 -4.49 115.64 113.88 1is7 s THR 17 Ca 0.64 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 1is7 s THR 17 Cb -0.19 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1is7 s THR 17 CO 0.58 0.47 0.83 -0.04 -0.69 0.00 0.00 174.62 175.77 1is7 s MET 18 N 0.56 4.42 0.00 4.92 -1.94 0.95 -0.86 119.30 127.35 1is7 s MET 18 Ca -0.15 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.93 1is7 s MET 18 Cb -0.17 -3.50 -0.00 0.00 2.01 0.00 0.00 34.83 33.18 1is7 s MET 18 CO 0.05 -0.11 0.26 1.33 -0.01 0.00 0.00 175.02 176.54 1is7 n VAL 19 N 4.16 0.00 -3.61 -6.03 0.24 0.37 -1.40 118.33 112.06 1is7 n VAL 19 Ca 0.03 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.82 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 -0.50 -0.35 0.37 7.63 0.00 -0.97 -4.78 107.32 108.71 1is7 s GLY 20 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 44.72 45.94 1is7 s GLY 20 CO 0.00 0.34 0.29 2.09 0.00 0.00 0.00 173.10 175.82 1is7 n ASP 21 N -0.28 2.13 -0.04 1.64 5.75 -1.26 0.14 116.55 124.63 1is7 n ASP 21 Ca -0.04 -2.25 0.16 0.00 -0.01 0.00 0.00 54.79 52.65 1is7 n ASP 21 Cb 0.60 -0.04 0.59 0.00 -1.03 0.00 0.00 41.12 41.24 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 0.22 -1.00 0.11 4.81 -1.94 -2.20 114.58 114.57 1is7 h GLU 22 Ca -0.23 -0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.48 1is7 h GLU 22 Cb 0.85 -0.05 -0.29 0.00 0.63 0.00 0.00 28.75 29.88 1is7 h GLU 22 CO 0.36 0.14 0.65 0.72 -0.73 0.00 0.00 179.01 180.15 1is7 n HIS 23 N -4.44 2.95 -2.71 0.92 8.25 -1.26 -4.97 115.22 113.96 1is7 n HIS 23 Ca 0.10 -1.88 -0.30 0.00 -0.26 0.00 0.00 57.72 55.38 1is7 n HIS 23 Cb 0.48 -0.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.61 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 -1.23 6.46 -0.11 0.41 0.01 -0.83 -4.98 113.70 113.42 1is7 s SER 24 Ca 0.55 1.14 -0.29 0.00 1.31 0.00 0.00 55.95 58.66 1is7 s SER 24 Cb 0.46 -2.33 -0.06 0.00 0.21 0.00 0.00 66.02 64.30 1is7 s SER 24 CO 0.10 -0.48 1.96 -0.62 0.41 0.00 0.00 173.24 174.61 1is7 s ASP 25 N -3.41 6.10 0.37 2.44 -1.08 -1.26 -4.87 116.67 114.96 1is7 s ASP 25 Ca 0.51 2.15 0.07 0.00 -0.52 0.00 0.00 52.55 54.76 1is7 s ASP 25 Cb -0.10 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.60 1is7 s ASP 25 CO 0.36 -1.41 1.95 -0.65 0.52 0.00 0.00 175.17 175.94 1is7 h PRO 26 N 12.11 0.70 0.08 4.34 0.11 -1.97 -1.39 132.00 145.99 1is7 h PRO 26 Ca -0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1is7 h PRO 26 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1is7 h PRO 26 CO 0.96 0.47 -0.04 0.93 -0.21 0.00 0.00 178.00 180.11 1is7 h GLU 27 N 0.72 -0.11 -0.75 1.05 5.08 -1.99 -1.43 114.58 117.16 1is7 h GLU 27 Ca 0.33 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 1is7 h GLU 27 Cb 0.34 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1is7 h GLU 27 CO -0.11 0.22 0.46 1.25 -1.00 0.00 0.00 179.01 179.82 1is7 h LEU 28 N -0.44 0.73 -0.74 1.33 5.85 -1.88 0.70 115.31 120.86 1is7 h LEU 28 Ca -0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1is7 h LEU 28 Cb 0.38 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1is7 h LEU 28 CO 0.02 0.48 0.49 0.24 -0.34 0.00 0.00 178.44 179.34 1is7 h MET 29 N 0.87 0.98 -0.64 1.25 2.86 -1.19 -1.84 114.93 117.22 1is7 h MET 29 Ca 0.32 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1is7 h MET 29 Cb 0.11 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1is7 h MET 29 CO -0.15 0.65 0.08 0.37 1.06 0.00 0.00 176.91 178.92 1is7 h GLN 30 N 1.01 1.08 -0.38 1.72 4.15 -0.25 -1.11 115.11 121.32 1is7 h GLN 30 Ca 0.27 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1is7 h GLN 30 Cb -0.12 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 1is7 h GLN 30 CO -0.06 1.00 0.21 1.96 -1.93 0.00 0.00 178.83 180.01 1is7 h GLN 31 N 1.00 0.51 0.00 1.69 4.20 -0.22 -0.92 115.11 121.37 1is7 h GLN 31 Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1is7 h GLN 31 Cb 0.47 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1is7 h GLN 31 CO 0.02 0.38 -0.24 1.28 -0.67 0.00 0.00 178.83 179.60 1is7 n LEU 32 N -4.44 0.24 -1.55 1.46 4.77 -0.75 -4.92 117.00 111.81 1is7 n LEU 32 Ca 0.03 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 1is7 n LEU 32 Cb 0.10 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1is7 n LEU 32 CO 0.36 0.06 0.04 0.61 -1.33 0.00 0.00 177.39 177.13 1is7 n GLY 33 N 1.50 0.25 3.74 -0.72 0.00 -0.35 -5.00 105.19 104.61 1is7 n GLY 33 Ca 0.06 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.93 3.34 0.51 4.61 0.00 -0.49 -4.85 121.76 121.96 1is7 s ALA 34 Ca 0.17 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1is7 s ALA 34 Cb -0.08 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 1is7 s ALA 34 CO 0.21 0.02 0.78 -1.12 0.00 0.00 0.00 175.76 175.66 1is7 s SER 35 N 0.12 5.77 0.09 0.00 0.01 -0.05 -4.76 113.70 114.89 1is7 s SER 35 Ca 0.40 0.54 0.08 0.00 1.31 0.00 0.00 55.95 58.28 1is7 s SER 35 Cb -0.20 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1is7 s SER 35 CO 0.23 -0.85 -0.22 -0.75 0.41 0.00 0.00 173.24 172.07 1is7 s LYS 36 N -4.76 1.21 0.09 12.44 2.20 -1.26 -1.03 119.74 128.63 1is7 s LYS 36 Ca 0.51 -1.14 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 1is7 s LYS 36 Cb -0.10 -1.47 0.08 0.00 -1.51 0.00 0.00 37.83 34.83 1is7 s LYS 36 CO 0.42 0.35 0.96 -0.98 -0.36 0.00 0.00 175.35 175.73 1is7 s ARG 37 N -1.79 1.03 -0.27 4.03 1.70 -0.63 -4.98 118.95 118.03 1is7 s ARG 37 Ca 0.07 -0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 54.80 1is7 s ARG 37 Cb -0.10 0.38 0.09 0.00 -0.57 0.00 0.00 34.95 34.75 1is7 s ARG 37 CO 0.04 -0.47 0.08 0.50 -1.08 0.00 0.00 175.30 174.37 1is7 s ARG 38 N -3.18 0.67 0.29 3.89 3.52 -1.26 -0.26 118.95 122.61 1is7 s ARG 38 Ca 0.10 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 1is7 s ARG 38 Cb -0.01 -1.94 -0.11 0.00 -1.56 0.00 0.00 34.95 31.32 1is7 s ARG 38 CO -0.02 -0.88 1.60 0.08 -0.81 0.00 0.00 175.30 175.28 1is7 s VAL 39 N 1.73 2.05 0.15 7.11 1.01 -1.26 -4.87 120.40 126.33 1is7 s VAL 39 Ca 0.06 0.04 -0.33 0.00 0.00 0.00 0.00 61.98 61.75 1is7 s VAL 39 Cb -0.17 -3.03 -0.17 0.00 0.00 0.00 0.00 36.38 33.02 1is7 s VAL 39 CO -0.21 0.01 1.06 -0.11 0.00 0.00 0.00 175.10 175.84 1is7 n LEU 40 N 2.25 0.90 0.00 3.92 0.00 -1.26 -0.62 117.00 122.19 1is7 n LEU 40 Ca 0.08 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.24 1is7 n LEU 40 Cb 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.66 1is7 n LEU 40 CO 0.64 -1.63 0.00 0.61 0.00 0.00 0.00 177.39 177.00 1is7 n GLY 41 N 1.92 2.92 3.81 -3.96 0.00 -1.26 -5.02 105.19 103.60 1is7 n GLY 41 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 0.17 7.06 -0.66 1.61 0.02 0.21 -4.98 114.94 118.37 1is7 s ASN 42 Ca 0.00 1.38 -0.02 0.00 -1.02 0.00 0.00 52.86 53.20 1is7 s ASN 42 Cb 0.00 -2.40 0.39 0.00 0.02 0.00 0.00 41.25 39.26 1is7 s ASN 42 CO 0.00 0.09 2.06 -0.46 0.02 0.00 0.00 177.10 178.81 1is7 n ASN 43 N 0.94 7.52 -3.53 -1.22 2.04 -1.26 -4.76 115.26 114.99 1is7 n ASN 43 Ca -0.04 -3.71 -0.11 0.00 -0.44 0.00 0.00 54.58 50.28 1is7 n ASN 43 Cb 0.51 -1.01 -0.04 0.00 -2.53 0.00 0.00 39.78 36.71 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 -3.60 -0.44 0.13 -2.53 -0.12 -1.26 -5.17 117.98 104.99 1is7 s PHE 44 Ca 0.59 0.56 -0.01 0.00 -0.05 0.00 0.00 56.93 58.02 1is7 s PHE 44 Cb 0.47 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 43.29 1is7 s PHE 44 CO -0.10 -0.51 0.31 0.71 -0.05 0.00 0.00 175.22 175.58 1is7 s TYR 45 N -2.07 3.49 0.02 3.49 1.51 -1.26 -4.45 117.35 118.08 1is7 s TYR 45 Ca -0.01 0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1is7 s TYR 45 Cb -0.01 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1is7 s TYR 45 CO -0.02 0.49 -0.06 -1.83 -1.11 0.00 0.00 175.55 173.02 1is7 s GLU 46 N -2.86 0.45 -0.22 -0.62 -1.05 0.64 -3.17 118.70 111.87 1is7 s GLU 46 Ca 0.37 -0.47 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 1is7 s GLU 46 Cb -0.12 -0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.22 1is7 s GLU 46 CO 0.27 0.07 0.09 0.71 0.95 0.00 0.00 175.26 177.35 1is7 s TYR 47 N -0.77 3.19 0.32 4.83 1.51 0.12 -1.61 117.35 124.93 1is7 s TYR 47 Ca -0.05 -0.09 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 1is7 s TYR 47 Cb -0.06 -2.19 -0.06 0.00 -0.11 0.00 0.00 41.96 39.54 1is7 s TYR 47 CO 0.00 -0.08 0.01 1.52 -1.11 0.00 0.00 175.55 175.89 1is7 s TYR 48 N 1.04 2.02 -0.00 2.71 -0.85 -0.20 -0.48 117.35 121.60 1is7 s TYR 48 Ca 0.05 -0.83 -0.05 0.00 -0.52 0.00 0.00 57.07 55.73 1is7 s TYR 48 Cb -0.14 -1.28 -0.00 0.00 0.38 0.00 0.00 41.96 40.92 1is7 s TYR 48 CO 0.03 0.16 0.09 0.08 -1.52 0.00 0.00 175.55 174.39 1is7 s VAL 49 N -3.12 0.07 -1.86 -3.49 1.01 -0.03 -0.87 120.40 112.11 1is7 s VAL 49 Ca 0.34 -0.59 0.30 0.00 0.00 0.00 0.00 61.98 62.02 1is7 s VAL 49 Cb 0.07 -0.33 0.66 0.00 0.00 0.00 0.00 36.38 36.78 1is7 s VAL 49 CO 0.14 -0.33 2.02 0.59 0.00 0.00 0.00 175.10 177.53 1is7 n ASN 50 N 1.84 0.34 -4.85 3.32 4.13 -1.26 -0.19 115.26 118.59 1is7 n ASN 50 Ca -0.21 -0.79 -0.32 0.00 1.68 0.00 0.00 54.58 54.95 1is7 n ASN 50 Cb 0.56 -0.07 -0.02 0.00 -1.54 0.00 0.00 39.78 38.71 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 -2.24 6.47 0.55 6.41 1.01 -1.26 -4.09 116.67 123.51 1is7 s ASP 51 Ca 0.37 1.48 -0.19 0.00 0.71 0.00 0.00 52.55 54.93 1is7 s ASP 51 Cb 0.21 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.60 1is7 s ASP 51 CO 0.41 -0.68 1.11 -2.84 0.21 0.00 0.00 175.17 173.38 1is7 s PRO 52 N -4.48 3.39 0.49 8.23 0.02 -1.26 -3.79 135.00 137.60 1is7 s PRO 52 Ca 0.57 1.52 0.23 0.00 0.02 0.00 0.00 61.00 63.34 1is7 s PRO 52 Cb -0.10 -2.02 1.29 0.00 0.02 0.00 0.00 34.50 33.69 1is7 s PRO 52 CO 0.40 -0.80 1.93 -1.00 -0.33 0.00 0.00 177.00 177.20 1is7 h PRO 53 N 1.12 0.15 -0.82 5.54 0.13 -1.83 -1.43 132.00 134.87 1is7 h PRO 53 Ca -0.49 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1is7 h PRO 53 Cb 1.25 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1is7 h PRO 53 CO 0.57 0.10 0.40 -0.09 -0.23 0.00 0.00 178.00 178.75 1is7 h ARG 54 N 0.16 1.17 -0.33 0.86 2.43 -1.91 -0.62 114.38 116.15 1is7 h ARG 54 Ca 0.35 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1is7 h ARG 54 Cb 1.15 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1is7 h ARG 54 CO -0.06 0.90 -0.01 0.82 -1.51 0.00 0.00 179.97 180.11 1is7 h ILE 55 N 1.16 1.26 0.00 1.20 1.08 -1.63 -2.71 117.51 117.88 1is7 h ILE 55 Ca 0.28 -0.98 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 1is7 h ILE 55 Cb 0.11 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1is7 h ILE 55 CO -0.04 0.32 -0.14 0.58 -0.69 0.00 0.00 178.15 178.18 1is7 h VAL 56 N 0.38 0.95 -0.10 1.67 2.07 -1.16 -2.22 116.25 117.85 1is7 h VAL 56 Ca 0.09 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 66.95 1is7 h VAL 56 Cb 0.46 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1is7 h VAL 56 CO 0.02 0.14 -0.63 -0.07 0.02 0.00 0.00 177.57 177.04 1is7 h LEU 57 N 0.00 0.42 -0.07 2.57 3.38 -0.82 -1.60 115.31 119.19 1is7 h LEU 57 Ca -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1is7 h LEU 57 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1is7 h LEU 57 CO 0.02 0.95 -0.05 0.44 0.09 0.00 0.00 178.44 179.89 1is7 h ASP 58 N 0.27 0.17 -0.52 -0.43 3.32 -1.12 -2.25 116.42 115.86 1is7 h ASP 58 Ca -0.01 -0.44 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1is7 h ASP 58 Cb 1.17 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 1is7 h ASP 58 CO 0.11 0.58 0.24 0.11 -1.72 0.00 0.00 179.24 178.56 1is7 h LYS 59 N -0.23 0.46 0.00 3.56 1.57 -1.42 -1.74 116.57 118.77 1is7 h LYS 59 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1is7 h LYS 59 Cb 0.52 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1is7 h LYS 59 CO 0.01 0.30 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.09 1is7 h LEU 60 N 0.47 0.00 -0.57 2.94 4.07 -1.23 -1.65 115.31 119.34 1is7 h LEU 60 Ca 0.23 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.05 1is7 h LEU 60 Cb 0.17 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1is7 h LEU 60 CO -0.18 0.04 -0.42 -0.08 -1.08 0.00 0.00 178.44 176.71 1is7 h GLU 61 N 0.00 0.66 0.00 1.13 4.81 -0.70 -1.63 114.58 118.86 1is7 h GLU 61 Ca -0.00 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1is7 h GLU 61 Cb 0.07 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1is7 h GLU 61 CO 0.01 0.96 -0.01 0.00 -0.73 0.00 0.00 179.01 179.23 1is7 n ARG 63 N -4.52 2.21 -0.39 0.00 3.00 -1.00 -4.92 116.66 111.04 1is7 n ARG 63 Ca -0.03 -1.56 0.00 0.00 -0.01 0.00 0.00 57.85 56.25 1is7 n ARG 63 Cb 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.12 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 1.01 0.79 3.88 -0.13 0.00 0.18 -5.05 105.19 105.87 1is7 n GLY 64 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.11 3.54 0.04 1.61 0.40 -0.65 -4.42 117.98 116.39 1is7 s PHE 65 Ca 0.00 0.64 0.05 0.00 -0.60 0.00 0.00 56.93 57.02 1is7 s PHE 65 Cb 0.00 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1is7 s PHE 65 CO 0.00 0.51 -0.15 0.50 0.70 0.00 0.00 175.22 176.78 1is7 s ARG 66 N -2.17 1.03 -0.16 0.44 3.52 -0.20 -3.95 118.95 117.47 1is7 s ARG 66 Ca 0.35 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 1is7 s ARG 66 Cb -0.13 -1.05 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 1is7 s ARG 66 CO 0.20 0.26 1.29 0.08 -0.81 0.00 0.00 175.30 176.33 1is7 s VAL 67 N -0.80 4.23 -0.19 7.11 1.01 -1.26 -0.97 120.40 129.53 1is7 s VAL 67 Ca 0.03 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1is7 s VAL 67 Cb -0.08 -3.96 -0.21 0.00 0.00 0.00 0.00 36.38 32.13 1is7 s VAL 67 CO 0.01 -0.13 0.06 0.18 0.00 0.00 0.00 175.10 175.22 1is7 n LEU 68 N 6.63 2.48 -3.65 3.92 4.77 0.14 -4.95 117.00 126.34 1is7 n LEU 68 Ca 0.14 0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 1is7 n LEU 68 Cb 0.45 -0.80 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1is7 n LEU 68 CO 0.56 0.84 0.22 -0.55 -1.33 0.00 0.00 177.39 177.13 1is7 s SER 69 N -6.59 -0.43 -0.04 -1.43 0.15 -1.11 -5.01 113.70 99.24 1is7 s SER 69 Ca -0.27 0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.89 1is7 s SER 69 Cb 0.08 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1is7 s SER 69 CO 0.69 -0.48 -0.08 -0.32 1.20 0.00 0.00 173.24 174.25 1is7 s MET 70 N -1.05 1.07 0.02 5.44 1.75 -1.26 -0.21 119.30 125.06 1is7 s MET 70 Ca -0.11 -0.26 -0.14 0.00 -1.25 0.00 0.00 55.69 53.93 1is7 s MET 70 Cb -0.03 -0.98 0.02 0.00 2.84 0.00 0.00 34.83 36.68 1is7 s MET 70 CO 0.06 0.03 0.31 -0.08 -0.65 0.00 0.00 175.02 174.70 1is7 s THR 71 N 0.51 0.07 0.08 10.11 -1.32 0.27 -4.99 115.64 120.37 1is7 s THR 71 Ca -0.08 -0.59 -0.02 0.00 -1.21 0.00 0.00 61.69 59.79 1is7 s THR 71 Cb -0.12 -0.82 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1is7 s THR 71 CO 0.01 -0.33 0.25 -0.83 -2.21 0.00 0.00 174.62 171.52 1is7 s GLY 72 N -1.78 2.20 -0.29 6.08 0.00 -1.26 -0.31 107.32 111.96 1is7 s GLY 72 Ca -0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 1is7 s GLY 72 CO -0.00 -0.71 0.57 0.54 0.00 0.00 0.00 173.10 173.49 1is7 s VAL 73 N -1.54 -0.93 0.00 1.40 0.11 -0.38 -4.98 120.40 114.08 1is7 s VAL 73 Ca 0.36 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1is7 s VAL 73 Cb -0.13 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1is7 s VAL 73 CO 0.26 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1is7 n GLY 74 N 5.42 2.34 1.79 6.54 0.00 -1.26 -1.31 105.19 118.71 1is7 n GLY 74 Ca -0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 13.29 3.38 -4.52 1.61 1.13 -1.26 -4.93 117.38 126.08 1is7 n GLN 75 Ca 0.00 -3.07 -0.33 0.00 -1.94 0.00 0.00 57.00 51.65 1is7 n GLN 75 Cb 0.00 -2.13 -0.14 0.00 0.11 0.00 0.00 30.24 28.08 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 -3.02 3.25 -0.23 5.09 2.01 -0.43 -1.84 115.64 120.48 1is7 s THR 76 Ca 0.53 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1is7 s THR 76 Cb 0.43 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1is7 s THR 76 CO 0.11 0.50 0.25 -0.22 -0.69 0.00 0.00 174.62 174.57 1is7 s LEU 77 N 0.59 4.13 -0.06 4.42 2.96 -0.15 -1.25 118.68 129.33 1is7 s LEU 77 Ca -0.06 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 1is7 s LEU 77 Cb -0.15 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1is7 s LEU 77 CO 0.03 0.01 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.16 1is7 s VAL 78 N 1.16 1.82 -0.10 1.68 1.01 0.57 -1.50 120.40 125.04 1is7 s VAL 78 Ca 0.12 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1is7 s VAL 78 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1is7 s VAL 78 CO 0.06 0.51 -0.13 0.26 0.00 0.00 0.00 175.10 175.79 1is7 s TRP 79 N -0.04 2.78 -0.29 5.22 0.51 -0.26 -0.57 118.94 126.29 1is7 s TRP 79 Ca -0.05 -0.48 -0.07 0.00 -2.12 0.00 0.00 56.10 53.38 1is7 s TRP 79 Cb -0.13 -1.78 0.01 0.00 -0.81 0.00 0.00 33.47 30.76 1is7 s TRP 79 CO 0.03 -0.08 0.07 0.00 -0.51 0.00 0.00 176.95 176.47 1is7 s LEU 81 N 1.49 3.08 -0.04 0.00 1.02 0.34 -0.68 118.68 123.89 1is7 s LEU 81 Ca 0.02 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 53.91 1is7 s LEU 81 Cb -0.17 -1.84 -0.00 0.00 0.02 0.00 0.00 46.19 44.19 1is7 s LEU 81 CO 0.02 0.21 -0.17 -2.28 0.02 0.00 0.00 176.35 174.15 1is7 s HIS 82 N -1.15 1.65 0.00 0.29 2.46 -0.14 -0.37 115.29 118.03 1is7 s HIS 82 Ca 0.20 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.29 1is7 s HIS 82 Cb -0.11 -1.11 0.00 0.00 -0.13 0.00 0.00 32.58 31.23 1is7 s HIS 82 CO 0.12 -0.14 0.00 1.17 -2.47 0.00 0.00 174.74 173.42 1is7 n LYS 83 N 3.07 0.00 0.00 2.88 4.81 0.56 -1.03 118.16 128.45 1is7 n LYS 83 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 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