#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 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1is7 h PRO 2 CO 0.00 0.55 -0.57 0.71 -0.23 0.00 0.00 178.00 178.46 1is7 s TYR 3 N -3.03 3.31 0.01 1.56 1.51 -1.26 0.07 117.35 119.52 1is7 s TYR 3 Ca 0.03 0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1is7 s TYR 3 Cb 0.08 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1is7 s TYR 3 CO 0.75 0.55 0.01 -1.17 -1.11 0.00 0.00 175.55 174.58 1is7 s LEU 4 N -2.19 2.06 -0.07 -1.29 2.96 0.82 -4.99 118.68 115.98 1is7 s LEU 4 Ca 0.28 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1is7 s LEU 4 Cb -0.12 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.76 1is7 s LEU 4 CO 0.21 -0.23 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.17 1is7 s LEU 5 N -1.04 1.41 0.22 -0.68 1.43 -1.26 -0.38 118.68 118.38 1is7 s LEU 5 Ca -0.11 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1is7 s LEU 5 Cb -0.07 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 1is7 s LEU 5 CO -0.00 -0.03 -0.07 0.27 0.23 0.00 0.00 176.35 176.74 1is7 s ILE 6 N 0.98 1.39 0.11 -0.59 -4.36 -0.73 -4.41 121.20 113.59 1is7 s ILE 6 Ca -0.09 -2.10 -0.25 0.00 -0.26 0.00 0.00 60.65 57.94 1is7 s ILE 6 Cb -0.15 -2.22 0.08 0.00 1.25 0.00 0.00 42.46 41.42 1is7 s ILE 6 CO 0.00 -0.45 0.76 -0.94 0.24 0.00 0.00 174.94 174.54 1is7 s SER 7 N -3.32 -0.42 0.21 4.36 1.04 -0.53 -1.20 113.70 113.83 1is7 s SER 7 Ca 0.25 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 1is7 s SER 7 Cb 0.03 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1is7 s SER 7 CO 0.08 -0.87 0.21 0.28 0.98 0.00 0.00 173.24 173.92 1is7 s THR 8 N -3.48 0.00 0.12 2.02 -1.32 -0.63 0.16 115.64 112.51 1is7 s THR 8 Ca 0.05 -1.86 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 1is7 s THR 8 Cb -0.02 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1is7 s THR 8 CO -0.08 -0.01 -0.11 -1.10 -2.21 0.00 0.00 174.62 171.11 1is7 s GLN 9 N -4.12 0.97 0.00 7.08 -0.21 -1.26 -0.93 119.66 121.18 1is7 s GLN 9 Ca 0.35 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1is7 s GLN 9 Cb 0.05 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 33.42 1is7 s GLN 9 CO 0.11 0.10 0.00 -0.89 -2.12 0.00 0.00 175.29 172.49 1is7 n ILE 10 N 0.25 0.00 -3.94 1.08 5.41 -0.78 -4.61 119.36 116.78 1is7 n ILE 10 Ca -0.14 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 1is7 n ILE 10 Cb 0.59 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.15 0.11 0.38 1.81 -1.26 -5.06 118.95 115.07 1is7 s ARG 11 Ca 0.00 -0.21 0.17 0.00 -1.72 0.00 0.00 55.73 53.97 1is7 s ARG 11 Cb 0.00 -0.03 -0.10 0.00 -0.45 0.00 0.00 34.95 34.38 1is7 s ARG 11 CO 0.00 0.00 0.95 0.00 -0.68 0.00 0.00 175.30 175.57 1is7 h MET 12 N 5.68 0.00 0.00 3.54 -0.00 -1.96 -3.36 114.93 118.83 1is7 h MET 12 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 1is7 h MET 12 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1is7 h MET 12 CO 0.48 0.32 0.00 -0.85 -0.00 0.00 0.00 176.91 176.85 1is7 n GLU 13 N -2.94 0.88 -3.71 -0.10 0.00 -1.26 -4.14 120.64 109.37 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 0.81 -1.08 -0.07 0.00 0.00 0.00 0.00 31.44 31.10 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 -4.85 120.40 116.31 1is7 s VAL 14 Ca 0.07 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1is7 s VAL 14 Cb 0.03 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1is7 s VAL 14 CO 0.05 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 1is7 n GLY 15 N 0.55 -0.08 3.68 6.54 0.00 -1.26 -4.68 105.19 109.94 1is7 n GLY 15 Ca -0.19 -1.78 -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 -0.86 0.85 -0.09 1.61 0.04 -1.26 -4.97 135.00 130.31 1is7 s PRO 16 Ca 0.00 0.80 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1is7 s PRO 16 Cb 0.00 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.79 1is7 s PRO 16 CO 0.00 -2.52 -0.16 0.99 0.04 0.00 0.00 177.00 175.35 1is7 s THR 17 N -2.88 1.45 -0.12 1.26 2.01 0.86 -4.50 115.64 113.73 1is7 s THR 17 Ca 0.64 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1is7 s THR 17 Cb -0.19 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1is7 s THR 17 CO 0.58 0.43 0.89 -0.04 -0.69 0.00 0.00 174.62 175.78 1is7 s MET 18 N 0.69 4.38 0.00 4.92 -1.94 0.12 -0.89 119.30 126.59 1is7 s MET 18 Ca -0.13 1.16 0.03 0.00 -1.71 0.00 0.00 55.69 55.04 1is7 s MET 18 Cb -0.16 -3.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.12 1is7 s MET 18 CO 0.03 -0.25 0.17 1.33 -0.01 0.00 0.00 175.02 176.30 1is7 n VAL 19 N 4.47 0.00 -3.62 -6.03 0.24 0.22 -1.45 118.33 112.17 1is7 n VAL 19 Ca 0.05 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 61.88 1is7 n VAL 19 Cb 0.49 1.01 -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 -1.14 -0.35 0.22 7.63 0.00 -1.02 -4.74 107.32 107.92 1is7 s GLY 20 Ca 0.01 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.68 1is7 s GLY 20 CO 0.10 0.26 0.20 2.09 0.00 0.00 0.00 173.10 175.75 1is7 n ASP 21 N -0.33 1.50 0.04 1.64 5.75 -1.26 0.15 116.55 124.04 1is7 n ASP 21 Ca -0.05 -1.72 0.10 0.00 -0.01 0.00 0.00 54.79 53.11 1is7 n ASP 21 Cb 0.61 -0.05 0.54 0.00 -1.03 0.00 0.00 41.12 41.19 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 0.29 -1.00 0.11 4.81 -1.95 -2.54 114.58 114.30 1is7 h GLU 22 Ca -0.13 -0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.58 1is7 h GLU 22 Cb 0.50 -0.07 -0.29 0.00 0.63 0.00 0.00 28.75 29.52 1is7 h GLU 22 CO 0.20 0.19 0.64 0.72 -0.73 0.00 0.00 179.01 180.03 1is7 n HIS 23 N -4.48 2.93 -2.66 0.92 8.25 -1.26 -4.97 115.22 113.94 1is7 n HIS 23 Ca 0.05 -1.84 -0.30 0.00 -0.26 0.00 0.00 57.72 55.36 1is7 n HIS 23 Cb 0.24 -0.94 -0.02 0.00 1.12 0.00 0.00 29.99 30.38 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 -1.20 6.47 -0.14 0.41 0.01 -0.96 -4.98 113.70 113.31 1is7 s SER 24 Ca 0.54 1.20 -0.29 0.00 1.31 0.00 0.00 55.95 58.71 1is7 s SER 24 Cb 0.46 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 1is7 s SER 24 CO 0.10 -0.50 1.95 -0.62 0.41 0.00 0.00 173.24 174.58 1is7 s ASP 25 N -3.38 6.05 0.42 2.44 -1.08 -1.26 -4.86 116.67 115.00 1is7 s ASP 25 Ca 0.52 2.05 0.13 0.00 -0.52 0.00 0.00 52.55 54.73 1is7 s ASP 25 Cb -0.10 -2.52 0.99 0.00 -1.46 0.00 0.00 42.92 39.82 1is7 s ASP 25 CO 0.35 -1.46 1.96 -0.65 0.52 0.00 0.00 175.17 175.90 1is7 h PRO 26 N 12.32 0.45 0.11 4.34 0.11 -1.97 -1.48 132.00 145.88 1is7 h PRO 26 Ca -0.41 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1is7 h PRO 26 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1is7 h PRO 26 CO 0.97 0.30 -0.05 0.93 -0.21 0.00 0.00 178.00 179.93 1is7 h GLU 27 N 0.46 -0.15 -0.73 1.05 5.08 -1.99 -1.48 114.58 116.83 1is7 h GLU 27 Ca 0.30 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1is7 h GLU 27 Cb 0.57 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1is7 h GLU 27 CO -0.09 0.23 0.42 1.25 -1.00 0.00 0.00 179.01 179.83 1is7 h LEU 28 N -0.56 0.65 -0.61 1.33 5.85 -1.87 0.81 115.31 120.92 1is7 h LEU 28 Ca -0.02 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1is7 h LEU 28 Cb 0.45 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1is7 h LEU 28 CO 0.03 0.42 0.39 0.24 -0.34 0.00 0.00 178.44 179.17 1is7 h MET 29 N 0.78 0.75 -0.77 1.25 2.86 -1.23 -1.62 114.93 116.96 1is7 h MET 29 Ca 0.32 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.86 1is7 h MET 29 Cb 0.17 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1is7 h MET 29 CO -0.17 0.50 0.27 0.37 1.06 0.00 0.00 176.91 178.93 1is7 h GLN 30 N 0.77 1.17 -0.58 1.72 4.15 -0.13 -1.43 115.11 120.79 1is7 h GLN 30 Ca 0.24 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1is7 h GLN 30 Cb -0.03 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1is7 h GLN 30 CO -0.08 0.97 0.38 1.96 -1.93 0.00 0.00 178.83 180.13 1is7 h GLN 31 N 1.13 0.72 0.00 1.69 4.20 -0.20 -0.54 115.11 122.11 1is7 h GLN 31 Ca 0.25 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1is7 h GLN 31 Cb 0.27 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1is7 h GLN 31 CO -0.01 0.48 -0.19 1.28 -0.67 0.00 0.00 178.83 179.71 1is7 n LEU 32 N -4.46 0.21 -1.09 1.46 4.77 -0.68 -4.92 117.00 112.30 1is7 n LEU 32 Ca 0.06 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1is7 n LEU 32 Cb 0.08 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1is7 n LEU 32 CO 0.35 0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 1is7 n GLY 33 N 1.49 0.23 3.74 -0.72 0.00 -0.21 -5.00 105.19 104.72 1is7 n GLY 33 Ca 0.06 -0.50 -0.40 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 -2.65 3.31 0.49 4.61 0.00 -0.62 -4.86 121.76 122.04 1is7 s ALA 34 Ca 0.08 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 1is7 s ALA 34 Cb -0.03 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1is7 s ALA 34 CO 0.10 0.03 0.74 -1.12 0.00 0.00 0.00 175.76 175.51 1is7 s SER 35 N -0.12 5.81 0.12 0.00 0.01 -0.02 -4.76 113.70 114.73 1is7 s SER 35 Ca 0.43 0.45 0.09 0.00 1.31 0.00 0.00 55.95 58.23 1is7 s SER 35 Cb -0.22 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1is7 s SER 35 CO 0.27 -0.78 -0.23 -0.75 0.41 0.00 0.00 173.24 172.17 1is7 s LYS 36 N -4.68 1.22 0.06 12.44 2.20 -1.26 -1.02 119.74 128.70 1is7 s LYS 36 Ca 0.49 -1.24 -0.28 0.00 -0.36 0.00 0.00 55.97 54.59 1is7 s LYS 36 Cb -0.10 -1.54 0.09 0.00 -1.51 0.00 0.00 37.83 34.77 1is7 s LYS 36 CO 0.40 0.36 1.03 -0.98 -0.36 0.00 0.00 175.35 175.79 1is7 s ARG 37 N -2.03 0.89 -0.25 4.03 1.70 -0.63 -4.98 118.95 117.68 1is7 s ARG 37 Ca 0.10 -0.46 -0.02 0.00 -0.47 0.00 0.00 55.73 54.88 1is7 s ARG 37 Cb -0.10 0.33 0.08 0.00 -0.57 0.00 0.00 34.95 34.69 1is7 s ARG 37 CO 0.05 -0.41 0.06 0.50 -1.08 0.00 0.00 175.30 174.42 1is7 s ARG 38 N -3.02 0.77 0.28 3.89 3.52 -1.26 0.07 118.95 123.20 1is7 s ARG 38 Ca 0.11 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 1is7 s ARG 38 Cb -0.00 -2.08 -0.11 0.00 -1.56 0.00 0.00 34.95 31.21 1is7 s ARG 38 CO -0.02 -0.80 1.52 0.08 -0.81 0.00 0.00 175.30 175.27 1is7 s VAL 39 N 1.71 2.33 0.12 7.11 1.01 -1.26 -4.88 120.40 126.55 1is7 s VAL 39 Ca 0.03 0.28 -0.35 0.00 0.00 0.00 0.00 61.98 61.95 1is7 s VAL 39 Cb -0.17 -3.18 -0.17 0.00 0.00 0.00 0.00 36.38 32.86 1is7 s VAL 39 CO -0.16 0.05 1.18 -0.11 0.00 0.00 0.00 175.10 176.06 1is7 n LEU 40 N 2.13 1.21 0.00 3.92 0.00 -1.26 -0.71 117.00 122.29 1is7 n LEU 40 Ca 0.07 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.22 1is7 n LEU 40 Cb 0.39 -1.15 0.00 0.00 0.00 0.00 0.00 43.42 42.66 1is7 n LEU 40 CO 0.62 -1.38 0.00 0.61 0.00 0.00 0.00 177.39 177.24 1is7 n GLY 41 N 2.13 3.11 3.85 -3.96 0.00 -1.26 -5.03 105.19 104.02 1is7 n GLY 41 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.33 6.80 -0.69 1.61 0.02 0.11 -4.98 114.94 117.48 1is7 s ASN 42 Ca 0.00 1.17 -0.01 0.00 -1.02 0.00 0.00 52.86 53.00 1is7 s ASN 42 Cb 0.00 -2.33 0.42 0.00 0.02 0.00 0.00 41.25 39.36 1is7 s ASN 42 CO 0.00 -0.06 1.96 -0.46 0.02 0.00 0.00 177.10 178.56 1is7 n ASN 43 N 0.16 7.40 -3.52 -1.22 2.04 -1.26 -4.79 115.26 114.07 1is7 n ASN 43 Ca -0.00 -3.80 -0.10 0.00 -0.44 0.00 0.00 54.58 50.23 1is7 n ASN 43 Cb 0.52 -0.95 -0.03 0.00 -2.53 0.00 0.00 39.78 36.79 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 -3.88 -0.40 0.11 -2.53 -0.12 -1.26 -5.16 117.98 104.74 1is7 s PHE 44 Ca 0.60 0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 57.91 1is7 s PHE 44 Cb 0.48 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 43.33 1is7 s PHE 44 CO -0.13 -0.51 0.28 0.71 -0.05 0.00 0.00 175.22 175.52 1is7 s TYR 45 N -2.37 3.50 0.01 3.49 1.51 -1.26 -4.44 117.35 117.79 1is7 s TYR 45 Ca 0.01 0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 1is7 s TYR 45 Cb -0.01 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1is7 s TYR 45 CO -0.04 0.52 -0.05 -1.83 -1.11 0.00 0.00 175.55 173.03 1is7 s GLU 46 N -2.79 0.40 -0.23 -0.62 -1.05 0.11 -3.25 118.70 111.27 1is7 s GLU 46 Ca 0.37 -0.35 -0.09 0.00 -0.15 0.00 0.00 54.97 54.74 1is7 s GLU 46 Cb -0.12 -0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.22 1is7 s GLU 46 CO 0.28 0.07 0.13 0.71 0.95 0.00 0.00 175.26 177.40 1is7 s TYR 47 N -0.53 3.26 0.31 4.83 1.51 0.12 -1.61 117.35 125.24 1is7 s TYR 47 Ca -0.03 0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.18 1is7 s TYR 47 Cb -0.04 -2.23 -0.06 0.00 -0.11 0.00 0.00 41.96 39.51 1is7 s TYR 47 CO -0.00 0.01 0.02 1.52 -1.11 0.00 0.00 175.55 175.99 1is7 s TYR 48 N 1.04 1.95 -0.00 2.71 -0.85 -0.19 -0.61 117.35 121.40 1is7 s TYR 48 Ca 0.06 -0.87 -0.04 0.00 -0.52 0.00 0.00 57.07 55.70 1is7 s TYR 48 Cb -0.14 -1.23 -0.00 0.00 0.38 0.00 0.00 41.96 40.97 1is7 s TYR 48 CO 0.04 0.10 0.08 0.08 -1.52 0.00 0.00 175.55 174.33 1is7 s VAL 49 N -3.20 0.07 -1.86 -3.49 1.01 -0.07 -0.84 120.40 112.02 1is7 s VAL 49 Ca 0.34 -0.56 0.30 0.00 0.00 0.00 0.00 61.98 62.06 1is7 s VAL 49 Cb 0.07 -0.31 0.67 0.00 0.00 0.00 0.00 36.38 36.81 1is7 s VAL 49 CO 0.14 -0.31 2.03 0.59 0.00 0.00 0.00 175.10 177.56 1is7 n ASN 50 N 1.92 0.32 -4.85 3.32 4.13 -1.26 -0.09 115.26 118.75 1is7 n ASN 50 Ca -0.20 -0.78 -0.32 0.00 1.68 0.00 0.00 54.58 54.96 1is7 n ASN 50 Cb 0.56 -0.07 -0.01 0.00 -1.54 0.00 0.00 39.78 38.72 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 6.37 0.49 6.41 1.01 -1.26 -4.10 116.67 123.36 1is7 s ASP 51 Ca 0.38 1.53 -0.21 0.00 0.71 0.00 0.00 52.55 54.96 1is7 s ASP 51 Cb 0.21 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.57 1is7 s ASP 51 CO 0.41 -0.76 1.09 -2.84 0.21 0.00 0.00 175.17 173.28 1is7 s PRO 52 N -4.52 3.68 0.47 8.23 0.02 -1.26 -3.80 135.00 137.83 1is7 s PRO 52 Ca 0.58 1.53 0.25 0.00 0.02 0.00 0.00 61.00 63.38 1is7 s PRO 52 Cb -0.11 -2.16 1.29 0.00 0.02 0.00 0.00 34.50 33.54 1is7 s PRO 52 CO 0.41 -0.56 1.83 -1.00 -0.33 0.00 0.00 177.00 177.35 1is7 h PRO 53 N 1.62 0.21 -0.69 5.54 0.13 -1.84 -0.62 132.00 136.35 1is7 h PRO 53 Ca -0.50 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.14 0.28 -0.09 -0.23 0.00 0.00 178.00 178.68 1is7 h ARG 54 N 0.21 1.02 -0.25 0.86 2.43 -1.91 -0.53 114.38 116.21 1is7 h ARG 54 Ca 0.51 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1is7 h ARG 54 Cb 1.63 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 1is7 h ARG 54 CO -0.13 0.82 -0.03 0.82 -1.51 0.00 0.00 179.97 179.94 1is7 h ILE 55 N 1.00 1.27 -0.14 1.20 1.08 -1.48 -2.77 117.51 117.67 1is7 h ILE 55 Ca 0.23 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1is7 h ILE 55 Cb 0.19 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1is7 h ILE 55 CO -0.02 0.31 -0.02 0.58 -0.69 0.00 0.00 178.15 178.30 1is7 h VAL 56 N 0.21 1.11 -0.25 1.67 2.07 -1.22 -2.23 116.25 117.61 1is7 h VAL 56 Ca 0.07 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1is7 h VAL 56 Cb 0.47 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1is7 h VAL 56 CO 0.02 0.14 -0.36 -0.07 0.02 0.00 0.00 177.57 177.32 1is7 h LEU 57 N 0.20 0.58 0.01 2.57 3.38 -0.89 -1.51 115.31 119.64 1is7 h LEU 57 Ca 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1is7 h LEU 57 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1is7 h LEU 57 CO 0.01 0.89 -0.00 0.44 0.09 0.00 0.00 178.44 179.87 1is7 h ASP 58 N 0.47 -0.01 -0.71 -0.43 3.32 -1.14 -2.24 116.42 115.68 1is7 h ASP 58 Ca 0.05 -0.38 0.09 0.00 0.02 0.00 0.00 57.03 56.81 1is7 h ASP 58 Cb 0.84 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.32 1is7 h ASP 58 CO 0.07 0.38 0.36 0.11 -1.72 0.00 0.00 179.24 178.44 1is7 h LYS 59 N -0.39 0.59 -0.03 3.56 1.57 -1.42 -0.79 116.57 119.66 1is7 h LYS 59 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1is7 h LYS 59 Cb 0.38 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1is7 h LYS 59 CO 0.00 0.39 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.05 1is7 h LEU 60 N 0.61 0.05 -0.73 2.94 4.07 -1.20 -2.41 115.31 118.63 1is7 h LEU 60 Ca 0.35 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 58.17 1is7 h LEU 60 Cb 0.37 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1is7 h LEU 60 CO -0.27 0.21 -0.45 -0.08 -1.08 0.00 0.00 178.44 176.77 1is7 h GLU 61 N 0.05 0.42 0.00 1.13 4.81 -0.52 -1.59 114.58 118.88 1is7 h GLU 61 Ca 0.01 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1is7 h GLU 61 Cb 0.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1is7 h GLU 61 CO 0.02 0.79 -0.17 0.00 -0.73 0.00 0.00 179.01 178.92 1is7 n ARG 63 N -4.27 1.92 -0.32 0.00 3.00 -0.98 -4.92 116.66 111.08 1is7 n ARG 63 Ca -0.02 -1.36 0.00 0.00 -0.01 0.00 0.00 57.85 56.46 1is7 n ARG 63 Cb 0.24 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.38 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 1.06 0.80 3.89 -0.13 0.00 -0.31 -5.05 105.19 105.45 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 -2.13 3.54 0.01 1.61 0.40 -0.64 -4.46 117.98 116.31 1is7 s PHE 65 Ca 0.00 0.56 0.05 0.00 -0.60 0.00 0.00 56.93 56.94 1is7 s PHE 65 Cb 0.00 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 1is7 s PHE 65 CO 0.00 0.53 -0.15 0.50 0.70 0.00 0.00 175.22 176.80 1is7 s ARG 66 N -2.18 1.12 -0.08 0.44 3.52 -0.49 -3.89 118.95 117.39 1is7 s ARG 66 Ca 0.34 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 1is7 s ARG 66 Cb -0.13 -1.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.10 1is7 s ARG 66 CO 0.21 0.29 1.38 0.08 -0.81 0.00 0.00 175.30 176.46 1is7 s VAL 67 N -0.60 3.95 -0.22 7.11 1.01 -1.26 -0.97 120.40 129.42 1is7 s VAL 67 Ca 0.04 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1is7 s VAL 67 Cb -0.07 -3.79 -0.20 0.00 0.00 0.00 0.00 36.38 32.32 1is7 s VAL 67 CO 0.00 -0.06 -0.05 0.18 0.00 0.00 0.00 175.10 175.17 1is7 n LEU 68 N 6.16 2.15 -3.62 3.92 4.77 0.19 -4.94 117.00 125.62 1is7 n LEU 68 Ca 0.14 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 1is7 n LEU 68 Cb 0.44 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1is7 n LEU 68 CO 0.58 0.80 0.26 -0.55 -1.33 0.00 0.00 177.39 177.15 1is7 s SER 69 N -6.32 -0.46 -0.03 -1.43 0.15 -1.12 -5.01 113.70 99.49 1is7 s SER 69 Ca -0.26 0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1is7 s SER 69 Cb 0.08 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1is7 s SER 69 CO 0.68 -0.54 -0.07 -0.32 1.20 0.00 0.00 173.24 174.20 1is7 s MET 70 N -1.25 0.81 0.11 5.44 1.75 -1.26 -0.45 119.30 124.45 1is7 s MET 70 Ca -0.12 -0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 53.99 1is7 s MET 70 Cb -0.02 -0.78 0.01 0.00 2.84 0.00 0.00 34.83 36.88 1is7 s MET 70 CO 0.08 0.05 0.27 -0.08 -0.65 0.00 0.00 175.02 174.69 1is7 s THR 71 N 0.35 0.11 0.11 10.11 -1.32 0.52 -4.99 115.64 120.53 1is7 s THR 71 Ca -0.05 -0.96 0.05 0.00 -1.21 0.00 0.00 61.69 59.52 1is7 s THR 71 Cb -0.09 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1is7 s THR 71 CO 0.00 -0.51 0.01 -0.83 -2.21 0.00 0.00 174.62 171.08 1is7 s GLY 72 N -2.84 1.88 -0.26 6.08 0.00 -1.26 0.09 107.32 110.99 1is7 s GLY 72 Ca 0.05 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 1is7 s GLY 72 CO -0.11 -1.15 0.54 0.54 0.00 0.00 0.00 173.10 172.92 1is7 s VAL 73 N -1.41 -0.85 0.00 1.40 0.11 0.05 -4.97 120.40 114.74 1is7 s VAL 73 Ca 0.26 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1is7 s VAL 73 Cb -0.11 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1is7 s VAL 73 CO 0.19 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1is7 n GLY 74 N 5.42 2.95 1.35 6.54 0.00 -1.26 -0.80 105.19 119.39 1is7 n GLY 74 Ca -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 13.51 2.51 -4.73 1.61 1.13 -1.26 -4.95 117.38 125.20 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 -1.94 -0.15 0.00 0.11 0.00 0.00 30.24 28.26 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 -3.10 2.78 -0.21 5.09 2.01 0.02 -1.86 115.64 120.38 1is7 s THR 76 Ca 0.47 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 1is7 s THR 76 Cb 0.40 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1is7 s THR 76 CO 0.06 0.52 0.18 -0.22 -0.69 0.00 0.00 174.62 174.47 1is7 s LEU 77 N 0.55 4.17 -0.04 4.42 2.96 -0.11 -0.77 118.68 129.86 1is7 s LEU 77 Ca -0.10 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1is7 s LEU 77 Cb -0.16 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 1is7 s LEU 77 CO 0.04 0.10 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.30 1is7 s VAL 78 N 0.74 1.47 -0.09 1.68 1.01 0.11 -1.61 120.40 123.72 1is7 s VAL 78 Ca 0.10 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1is7 s VAL 78 Cb -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1is7 s VAL 78 CO 0.02 0.42 -0.14 0.26 0.00 0.00 0.00 175.10 175.67 1is7 s TRP 79 N -0.02 2.76 -0.30 5.22 0.51 -0.34 -0.35 118.94 126.41 1is7 s TRP 79 Ca -0.03 -0.39 -0.05 0.00 -2.12 0.00 0.00 56.10 53.50 1is7 s TRP 79 Cb -0.11 -1.73 0.02 0.00 -0.81 0.00 0.00 33.47 30.84 1is7 s TRP 79 CO 0.02 -0.01 0.06 0.00 -0.51 0.00 0.00 176.95 176.51 1is7 s LEU 81 N 1.42 3.21 -0.05 0.00 1.02 0.49 -0.64 118.68 124.13 1is7 s LEU 81 Ca 0.00 -0.21 0.04 0.00 0.02 0.00 0.00 54.13 53.99 1is7 s LEU 81 Cb -0.18 -1.91 -0.00 0.00 0.02 0.00 0.00 46.19 44.12 1is7 s LEU 81 CO 0.01 0.23 -0.17 -2.28 0.02 0.00 0.00 176.35 174.16 1is7 s HIS 82 N -1.12 1.77 0.00 0.29 2.46 -0.14 -0.13 115.29 118.42 1is7 s HIS 82 Ca 0.20 -0.56 0.00 0.00 0.47 0.00 0.00 55.06 55.17 1is7 s HIS 82 Cb -0.11 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 1is7 s HIS 82 CO 0.11 -0.21 0.00 1.17 -2.47 0.00 0.00 174.74 173.34 1is7 n LYS 83 N 3.29 0.00 0.00 2.88 4.81 0.11 -1.40 118.16 127.85 1is7 n LYS 83 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 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