#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk7 n ASP 2 N 0.00 0.63 -3.52 5.98 5.68 0.54 -4.90 116.55 120.96 1bk7 n ASP 2 Ca 0.00 -0.82 -0.02 0.00 -0.50 0.00 0.00 54.79 53.45 1bk7 n ASP 2 Cb 0.00 0.82 0.01 0.00 -1.14 0.00 0.00 41.12 40.81 1bk7 n ASP 2 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1bk7 s SER 3 N -1.59 -0.04 0.06 -1.12 1.04 -1.22 -3.13 113.70 107.71 1bk7 s SER 3 Ca 0.04 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1bk7 s SER 3 Cb 0.06 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1bk7 s SER 3 CO 0.29 -0.84 -0.18 -0.36 0.98 0.00 0.00 173.24 173.13 1bk7 s PHE 4 N -2.44 1.59 -0.27 5.02 0.08 0.25 0.11 117.98 122.32 1bk7 s PHE 4 Ca 0.19 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 1bk7 s PHE 4 Cb -0.01 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1bk7 s PHE 4 CO 0.03 0.10 -0.02 -1.58 -0.10 0.00 0.00 175.22 173.65 1bk7 s TRP 5 N -0.96 3.11 -0.48 0.36 0.52 -0.39 -1.31 118.94 119.80 1bk7 s TRP 5 Ca 0.05 -1.48 -0.17 0.00 0.02 0.00 0.00 56.10 54.52 1bk7 s TRP 5 Cb -0.09 -2.11 0.06 0.00 -1.15 0.00 0.00 33.47 30.18 1bk7 s TRP 5 CO 0.02 -0.71 0.48 0.12 0.02 0.00 0.00 176.95 176.88 1bk7 s PHE 6 N 1.35 3.17 -0.27 -1.98 5.36 0.47 -0.77 117.98 125.31 1bk7 s PHE 6 Ca -0.00 -0.74 -0.11 0.00 -0.96 0.00 0.00 56.93 55.11 1bk7 s PHE 6 Cb -0.17 -3.26 -0.05 0.00 -0.34 0.00 0.00 43.02 39.19 1bk7 s PHE 6 CO -0.02 -0.87 0.20 0.08 -1.46 0.00 0.00 175.22 173.15 1bk7 s VAL 7 N 2.03 5.31 0.04 3.12 1.01 0.02 -1.11 120.40 130.81 1bk7 s VAL 7 Ca 0.09 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1bk7 s VAL 7 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1bk7 s VAL 7 CO 0.09 0.26 -0.06 -1.10 0.00 0.00 0.00 175.10 174.29 1bk7 s GLN 8 N 1.68 2.48 0.18 2.72 -0.21 -0.56 -0.51 119.66 125.43 1bk7 s GLN 8 Ca 0.08 -0.79 0.11 0.00 0.02 0.00 0.00 55.36 54.77 1bk7 s GLN 8 Cb -0.16 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 1bk7 s GLN 8 CO 0.10 0.58 -0.23 1.14 -2.12 0.00 0.00 175.29 174.76 1bk7 s GLN 9 N -1.71 1.44 -0.54 2.91 -2.07 0.33 -1.20 119.66 118.82 1bk7 s GLN 9 Ca 0.19 -1.47 -0.17 0.00 -1.82 0.00 0.00 55.36 52.10 1bk7 s GLN 9 Cb -0.11 -1.73 0.12 0.00 -1.09 0.00 0.00 33.01 30.20 1bk7 s GLN 9 CO 0.10 0.37 0.54 -0.46 -1.32 0.00 0.00 175.29 174.53 1bk7 s TRP 10 N -1.66 3.19 0.23 9.60 -0.00 0.11 -1.62 118.94 128.78 1bk7 s TRP 10 Ca 0.18 -1.15 -0.13 0.00 -0.00 0.00 0.00 56.10 55.01 1bk7 s TRP 10 Cb -0.08 -3.77 0.29 0.00 -0.00 0.00 0.00 33.47 29.92 1bk7 s TRP 10 CO 0.09 -1.06 1.60 -1.35 -0.00 0.00 0.00 176.95 176.23 1bk7 h PRO 11 N 8.95 -0.01 -0.57 5.86 0.11 -1.84 -1.85 132.00 142.63 1bk7 h PRO 11 Ca -0.30 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.85 1bk7 h PRO 11 Cb 1.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1bk7 h PRO 11 CO 1.03 -0.01 0.34 -1.35 -0.21 0.00 0.00 178.00 177.80 1bk7 h PRO 12 N -0.02 0.65 -0.33 1.05 0.11 -1.72 -0.84 132.00 130.90 1bk7 h PRO 12 Ca 0.35 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1bk7 h PRO 12 Cb 0.55 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1bk7 h PRO 12 CO -0.78 0.43 0.09 0.00 -0.21 0.00 0.00 178.00 177.53 1bk7 h ALA 13 N 1.26 0.43 -0.35 -0.75 0.00 -1.75 -0.81 119.26 117.30 1bk7 h ALA 13 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1bk7 h ALA 13 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1bk7 h ALA 13 CO -0.11 0.08 0.08 0.28 0.00 0.00 0.00 179.25 179.58 1bk7 h VAL 14 N 0.37 0.84 0.00 0.00 2.07 -1.07 -2.20 116.25 116.26 1bk7 h VAL 14 Ca 0.10 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1bk7 h VAL 14 Cb 0.28 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1bk7 h VAL 14 CO -0.00 0.04 -0.15 0.00 0.02 0.00 0.00 177.57 177.48 1bk7 h SER 16 N 0.00 0.00 0.29 0.00 4.64 -0.48 -0.68 113.55 117.32 1bk7 h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bk7 h SER 16 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1bk7 h SER 16 CO 0.02 0.02 -0.13 0.49 -0.87 0.00 0.00 176.83 176.36 1bk7 n PHE 17 N -3.38 0.00 -3.31 4.77 3.72 -1.15 -4.45 117.46 113.67 1bk7 n PHE 17 Ca -0.02 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.91 1bk7 n PHE 17 Cb 0.13 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 1bk7 n PHE 17 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1bk7 s GLN 18 N -2.43 3.66 0.00 -1.08 -1.52 -0.26 -4.87 119.66 113.16 1bk7 s GLN 18 Ca 0.29 -2.49 0.11 0.00 -1.95 0.00 0.00 55.36 51.33 1bk7 s GLN 18 Cb 0.20 -4.47 0.51 0.00 -0.22 0.00 0.00 33.01 29.03 1bk7 s GLN 18 CO 0.47 -1.32 1.36 1.63 -0.25 0.00 0.00 175.29 177.18 1bk7 n LYS 19 N 4.03 1.30 -3.80 2.91 4.76 -1.26 -4.76 118.16 121.33 1bk7 n LYS 19 Ca 0.15 -0.47 -0.13 0.00 -2.87 0.00 0.00 58.31 55.00 1bk7 n LYS 19 Cb 0.47 -1.21 -0.13 0.00 -1.84 0.00 0.00 35.03 32.31 1bk7 n LYS 19 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bk7 s SER 20 N -1.27 -0.15 0.00 4.39 0.15 -1.26 -5.13 113.70 110.43 1bk7 s SER 20 Ca 0.19 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1bk7 s SER 20 Cb 0.09 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1bk7 s SER 20 CO 0.14 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1bk7 n GLY 21 N 3.30 -2.29 3.88 9.45 0.00 -1.26 -4.95 105.19 113.32 1bk7 n GLY 21 Ca -0.16 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1bk7 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bk7 s SER 22 N -2.11 6.27 -0.33 1.61 1.04 -1.26 -5.07 113.70 113.85 1bk7 s SER 22 Ca 0.00 1.24 0.05 0.00 0.48 0.00 0.00 55.95 57.73 1bk7 s SER 22 Cb 0.00 -2.39 0.18 0.00 0.10 0.00 0.00 66.02 63.91 1bk7 s SER 22 CO 0.00 -0.74 0.54 0.00 0.98 0.00 0.00 173.24 174.02 1bk7 h PRO 24 N 7.66 0.00 0.00 0.00 0.11 -1.75 -0.98 132.00 137.04 1bk7 h PRO 24 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1bk7 h PRO 24 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bk7 h PRO 24 CO 0.17 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.74 1bk7 h GLY 25 N 0.00 0.00 0.08 -0.55 0.00 -1.09 -3.12 103.07 98.40 1bk7 h GLY 25 Ca 0.44 0.00 0.27 0.00 0.00 0.00 0.00 47.33 48.05 1bk7 h GLY 25 CO -0.00 0.00 0.68 1.76 0.00 0.00 0.00 176.54 178.98 1bk7 h SER 26 N 0.00 0.04 0.07 0.19 0.02 -1.38 -1.52 113.55 110.97 1bk7 h SER 26 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1bk7 h SER 26 Cb 0.33 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1bk7 h SER 26 CO 0.00 0.01 -0.31 0.61 -1.14 0.00 0.00 176.83 176.01 1bk7 n GLY 27 N -1.71 -0.10 3.76 -3.77 0.00 -1.18 -4.72 105.19 97.47 1bk7 n GLY 27 Ca 0.20 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1bk7 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bk7 s LEU 28 N -2.39 4.55 -0.24 0.99 1.02 -0.57 -4.99 118.68 117.04 1bk7 s LEU 28 Ca 0.23 1.65 0.10 0.00 0.02 0.00 0.00 54.13 56.13 1bk7 s LEU 28 Cb 0.19 -3.36 0.44 0.00 0.02 0.00 0.00 46.19 43.48 1bk7 s LEU 28 CO 0.50 0.12 1.20 0.54 0.02 0.00 0.00 176.35 178.74 1bk7 n ARG 29 N 2.03 2.51 -3.79 1.70 5.12 -1.26 -4.16 116.66 118.81 1bk7 n ARG 29 Ca -0.03 -3.69 -0.10 0.00 -1.93 0.00 0.00 57.85 52.09 1bk7 n ARG 29 Cb 0.49 -1.90 -0.07 0.00 -1.16 0.00 0.00 32.46 29.82 1bk7 n ARG 29 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1bk7 s THR 30 N -3.82 0.11 0.17 0.55 -1.32 -1.26 -5.13 115.64 104.93 1bk7 s THR 30 Ca 0.44 -0.88 -0.30 0.00 -1.21 0.00 0.00 61.69 59.74 1bk7 s THR 30 Cb 0.39 -1.11 -0.08 0.00 -1.51 0.00 0.00 72.50 70.19 1bk7 s THR 30 CO -0.02 -0.49 1.19 -0.36 -2.21 0.00 0.00 174.62 172.73 1bk7 s PHE 31 N -3.22 3.45 0.35 9.09 0.08 -1.26 -4.42 117.98 122.04 1bk7 s PHE 31 Ca -0.00 1.42 0.09 0.00 0.12 0.00 0.00 56.93 58.56 1bk7 s PHE 31 Cb 0.02 -3.41 -0.06 0.00 -0.57 0.00 0.00 43.02 38.99 1bk7 s PHE 31 CO -0.08 -1.15 -0.06 0.95 -0.10 0.00 0.00 175.22 174.78 1bk7 s THR 32 N 0.09 2.32 0.07 0.64 -4.23 -0.64 -4.92 115.64 108.98 1bk7 s THR 32 Ca 0.53 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 1bk7 s THR 32 Cb -0.32 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 1bk7 s THR 32 CO 0.35 -0.19 1.07 -0.63 -0.54 0.00 0.00 174.62 174.68 1bk7 s ILE 33 N -2.59 4.34 -0.23 2.99 1.01 0.01 -0.51 121.20 126.22 1bk7 s ILE 33 Ca 0.33 1.78 -0.16 0.00 0.00 0.00 0.00 60.65 62.60 1bk7 s ILE 33 Cb 0.02 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.24 1bk7 s ILE 33 CO 0.17 0.20 -0.22 1.57 0.00 0.00 0.00 174.94 176.66 1bk7 n HIS 34 N 3.41 0.32 -3.76 3.97 -0.00 0.33 -4.68 115.22 114.80 1bk7 n HIS 34 Ca 0.06 0.14 0.04 0.00 -0.00 0.00 0.00 57.72 57.95 1bk7 n HIS 34 Cb 0.48 -0.89 0.00 0.00 -0.00 0.00 0.00 29.99 29.59 1bk7 n HIS 34 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1bk7 s GLY 35 N -5.11 -0.36 -0.29 1.57 0.00 -0.95 -5.01 107.32 97.17 1bk7 s GLY 35 Ca -0.32 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.00 1bk7 s GLY 35 CO 0.47 2.78 -0.02 -2.27 0.00 0.00 0.00 173.10 174.06 1bk7 s LEU 36 N -3.37 3.61 -0.31 0.66 2.96 -1.26 -0.80 118.68 120.17 1bk7 s LEU 36 Ca 0.22 -1.65 -0.09 0.00 -0.22 0.00 0.00 54.13 52.39 1bk7 s LEU 36 Cb 0.04 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.31 1bk7 s LEU 36 CO -0.04 -0.29 0.13 0.26 -1.32 0.00 0.00 176.35 175.08 1bk7 s TRP 37 N 1.14 3.17 0.42 5.38 0.51 0.05 -4.58 118.94 125.04 1bk7 s TRP 37 Ca 0.01 -0.77 -0.26 0.00 -2.12 0.00 0.00 56.10 52.96 1bk7 s TRP 37 Cb -0.19 -2.32 -0.09 0.00 -0.81 0.00 0.00 33.47 30.06 1bk7 s TRP 37 CO -0.08 -0.52 1.34 -2.14 -0.51 0.00 0.00 176.95 175.04 1bk7 s PRO 38 N 1.56 3.89 0.30 4.98 0.02 -1.26 -1.26 135.00 143.22 1bk7 s PRO 38 Ca 0.04 2.24 0.11 0.00 0.02 0.00 0.00 61.00 63.41 1bk7 s PRO 38 Cb -0.17 -2.73 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 1bk7 s PRO 38 CO 0.05 -0.59 -0.16 -0.65 -0.33 0.00 0.00 177.00 175.31 1bk7 s GLN 39 N -2.30 1.74 -0.30 5.54 -1.52 0.12 -1.78 119.66 121.16 1bk7 s GLN 39 Ca 0.58 -1.80 -0.02 0.00 -1.95 0.00 0.00 55.36 52.17 1bk7 s GLN 39 Cb -0.40 -1.77 0.18 0.00 -0.22 0.00 0.00 33.01 30.80 1bk7 s GLN 39 CO 0.51 0.28 0.61 -1.14 -0.25 0.00 0.00 175.29 175.31 1bk7 s GLN 40 N -3.54 0.56 -1.01 2.91 2.00 -0.26 -0.34 119.66 119.98 1bk7 s GLN 40 Ca 0.31 1.04 -0.05 0.00 -2.00 0.00 0.00 55.36 54.66 1bk7 s GLN 40 Cb -0.03 0.58 0.01 0.00 0.80 0.00 0.00 33.01 34.37 1bk7 s GLN 40 CO 0.16 -0.57 0.64 0.43 -0.50 0.00 0.00 175.29 175.44 1bk7 n SER 41 N 5.43 -4.92 -0.56 6.67 7.64 -1.26 -2.87 113.62 123.74 1bk7 n SER 41 Ca -0.02 -0.29 -0.07 0.00 1.01 0.00 0.00 58.87 59.50 1bk7 n SER 41 Cb 0.51 -3.64 -0.02 0.00 -1.01 0.00 0.00 64.21 60.04 1bk7 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bk7 n GLY 42 N -1.43 0.73 2.96 0.23 0.00 -1.26 -5.03 105.19 101.39 1bk7 n GLY 42 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1bk7 n GLY 42 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bk7 s THR 43 N -2.26 0.06 -0.01 2.61 -1.32 -1.14 -5.14 115.64 108.45 1bk7 s THR 43 Ca 0.00 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.65 1bk7 s THR 43 Cb 0.00 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.76 1bk7 s THR 43 CO 0.00 -0.29 1.14 -0.44 -2.21 0.00 0.00 174.62 172.82 1bk7 s SER 44 N -0.87 7.14 -0.07 8.08 0.01 -1.26 -1.10 113.70 125.63 1bk7 s SER 44 Ca -0.10 1.84 -0.27 0.00 1.31 0.00 0.00 55.95 58.73 1bk7 s SER 44 Cb -0.06 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1bk7 s SER 44 CO -0.00 -0.47 0.86 -0.76 0.41 0.00 0.00 173.24 173.28 1bk7 s LEU 45 N 1.54 4.30 0.08 2.44 1.43 -0.73 -4.94 118.68 122.79 1bk7 s LEU 45 Ca 0.56 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 1bk7 s LEU 45 Cb -0.25 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1bk7 s LEU 45 CO 0.25 -0.26 -0.07 0.42 0.23 0.00 0.00 176.35 176.93 1bk7 s THR 46 N 1.27 0.65 -1.43 5.49 -4.23 -1.26 -4.66 115.64 111.47 1bk7 s THR 46 Ca 0.44 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1bk7 s THR 46 Cb -0.19 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.26 1bk7 s THR 46 CO 0.21 -0.76 0.69 0.59 -0.54 0.00 0.00 174.62 174.80 1bk7 n ASN 47 N 0.31 -1.93 -4.76 3.99 3.02 0.10 -4.96 115.26 111.03 1bk7 n ASN 47 Ca -0.15 -0.89 -0.39 0.00 -0.03 0.00 0.00 54.58 53.13 1bk7 n ASN 47 Cb 0.59 -3.58 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 1bk7 n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bk7 s PRO 49 N -1.60 4.27 0.00 0.00 0.02 -1.26 -4.69 135.00 131.75 1bk7 s PRO 49 Ca 0.46 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1bk7 s PRO 49 Cb -0.24 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1bk7 s PRO 49 CO 0.29 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 1bk7 n GLY 50 N 1.67 1.15 3.77 0.52 0.00 -1.26 -4.91 105.19 106.13 1bk7 n GLY 50 Ca 0.04 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1bk7 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bk7 s SER 51 N 0.09 6.80 0.55 1.61 0.01 -1.26 -5.00 113.70 116.50 1bk7 s SER 51 Ca 0.00 2.66 -0.19 0.00 1.31 0.00 0.00 55.95 59.73 1bk7 s SER 51 Cb 0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1bk7 s SER 51 CO 0.00 -0.51 1.12 -2.84 0.41 0.00 0.00 173.24 171.42 1bk7 s PRO 52 N -1.78 3.32 0.30 12.44 0.02 -1.26 -4.92 135.00 143.12 1bk7 s PRO 52 Ca 0.49 1.56 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 1bk7 s PRO 52 Cb -0.39 -2.01 -0.12 0.00 0.02 0.00 0.00 34.50 32.00 1bk7 s PRO 52 CO 0.52 -0.87 1.47 0.34 -0.33 0.00 0.00 177.00 178.14 1bk7 n PHE 53 N -1.43 2.57 -3.69 6.54 7.35 -1.26 -4.98 117.46 122.55 1bk7 n PHE 53 Ca 0.11 0.39 -0.28 0.00 -0.76 0.00 0.00 57.45 56.90 1bk7 n PHE 53 Cb 0.51 -2.52 -0.16 0.00 0.35 0.00 0.00 39.48 37.67 1bk7 n PHE 53 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1bk7 s ASP 54 N 0.21 3.30 0.57 -2.13 -1.08 -1.26 -5.02 116.67 111.26 1bk7 s ASP 54 Ca 0.62 -1.12 0.26 0.00 -0.52 0.00 0.00 52.55 51.80 1bk7 s ASP 54 Cb -0.55 -0.60 1.67 0.00 -1.46 0.00 0.00 42.92 41.98 1bk7 s ASP 54 CO 0.53 -0.36 2.21 -0.29 0.52 0.00 0.00 175.17 177.78 1bk7 h ILE 55 N 6.48 0.63 0.00 4.11 6.09 -1.99 -2.29 117.51 130.55 1bk7 h ILE 55 Ca -0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1bk7 h ILE 55 Cb 1.07 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.34 1bk7 h ILE 55 CO 0.39 0.00 0.00 0.71 -3.07 0.00 0.00 178.15 176.18 1bk7 h THR 56 N 0.00 0.00 0.00 2.19 1.35 -2.00 -2.65 112.91 111.80 1bk7 h THR 56 Ca 0.01 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1bk7 h THR 56 Cb 0.07 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1bk7 h THR 56 CO -0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1bk7 h LYS 57 N 0.00 0.00 0.00 4.72 1.57 -1.85 -3.23 116.57 117.78 1bk7 h LYS 57 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bk7 h LYS 57 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1bk7 h LYS 57 CO 0.00 0.00 -0.11 0.44 -0.57 0.00 0.00 179.45 179.21 1bk7 n ILE 58 N -2.57 1.76 -0.05 1.86 -5.35 -1.02 -4.49 119.36 109.49 1bk7 n ILE 58 Ca 0.05 -2.19 0.08 0.00 -0.27 0.00 0.00 62.75 60.41 1bk7 n ILE 58 Cb 0.46 -0.17 0.45 0.00 -1.74 0.00 0.00 39.64 38.64 1bk7 n ILE 58 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1bk7 h SER 59 N 0.13 0.44 0.67 7.28 4.64 -1.52 -1.06 113.55 124.13 1bk7 h SER 59 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bk7 h SER 59 Cb 1.04 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1bk7 h SER 59 CO 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 1bk7 n HIS 60 N -4.47 0.00 -0.18 4.77 1.44 -1.26 -3.09 115.22 112.42 1bk7 n HIS 60 Ca 0.07 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.84 1bk7 n HIS 60 Cb 0.22 -0.47 0.16 0.00 0.12 0.00 0.00 29.99 30.02 1bk7 n HIS 60 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1bk7 n LEU 61 N -1.47 2.98 0.09 2.39 4.77 -0.41 -4.72 117.00 120.63 1bk7 n LEU 61 Ca 0.06 -1.99 0.11 0.00 -0.03 0.00 0.00 56.01 54.15 1bk7 n LEU 61 Cb 0.23 -0.24 0.58 0.00 -2.33 0.00 0.00 43.42 41.66 1bk7 n LEU 61 CO 0.19 0.74 1.13 0.06 -1.33 0.00 0.00 177.39 178.19 1bk7 h GLN 62 N 2.16 0.18 -0.02 3.23 3.07 -1.54 -0.97 115.11 121.21 1bk7 h GLN 62 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1bk7 h GLN 62 Cb 0.74 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.26 1bk7 h GLN 62 CO 0.00 0.12 -0.02 1.03 0.09 0.00 0.00 178.83 180.04 1bk7 h SER 63 N 0.18 0.06 -0.64 0.06 0.87 -1.87 -2.07 113.55 110.14 1bk7 h SER 63 Ca 0.13 -0.49 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1bk7 h SER 63 Cb 0.31 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1bk7 h SER 63 CO -0.02 0.54 0.18 1.56 -0.53 0.00 0.00 176.83 178.55 1bk7 h GLN 64 N -0.41 1.02 -0.55 2.24 7.50 -1.84 -2.70 115.11 120.37 1bk7 h GLN 64 Ca 0.00 -0.23 -0.10 0.00 0.50 0.00 0.00 58.65 58.82 1bk7 h GLN 64 Cb 0.52 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.89 1bk7 h GLN 64 CO 0.01 0.91 -0.04 -0.07 -1.50 0.00 0.00 178.83 178.13 1bk7 h LEU 65 N 0.94 0.97 -1.08 1.46 3.38 -1.22 0.28 115.31 120.04 1bk7 h LEU 65 Ca 0.20 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1bk7 h LEU 65 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1bk7 h LEU 65 CO -0.00 1.05 -0.43 0.78 0.09 0.00 0.00 178.44 179.93 1bk7 h ASN 66 N 0.90 0.00 0.08 -0.43 2.35 -1.28 0.11 115.58 117.31 1bk7 h ASN 66 Ca 0.15 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.68 1bk7 h ASN 66 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1bk7 h ASN 66 CO 0.03 0.43 -1.14 0.74 -1.65 0.00 0.00 177.43 175.85 1bk7 h THR 67 N 0.00 1.16 0.00 2.81 2.02 -1.21 -3.38 112.91 114.32 1bk7 h THR 67 Ca -0.00 -2.37 -0.09 0.00 0.77 0.00 0.00 66.41 64.72 1bk7 h THR 67 Cb 0.82 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 1bk7 h THR 67 CO 0.06 0.63 -1.61 0.18 0.37 0.00 0.00 175.52 175.15 1bk7 n LEU 68 N -4.12 0.48 -2.51 2.58 4.77 0.97 -4.56 117.00 114.61 1bk7 n LEU 68 Ca -0.23 0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.72 1bk7 n LEU 68 Cb 0.80 0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 1bk7 n LEU 68 CO 0.37 0.05 0.12 1.87 -1.33 0.00 0.00 177.39 178.47 1bk7 n TRP 69 N -2.61 2.90 -1.99 -1.77 -0.00 0.40 -0.81 117.44 113.56 1bk7 n TRP 69 Ca -0.08 -3.02 -0.32 0.00 -0.00 0.00 0.00 57.50 54.08 1bk7 n TRP 69 Cb 0.71 -0.15 0.01 0.00 -0.00 0.00 0.00 31.31 31.88 1bk7 n TRP 69 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1bk7 s PRO 70 N -3.46 3.31 -0.21 5.87 0.04 -1.24 -4.79 135.00 134.52 1bk7 s PRO 70 Ca 0.43 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1bk7 s PRO 70 Cb 0.41 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.92 1bk7 s PRO 70 CO -0.13 -0.81 1.01 1.21 0.04 0.00 0.00 177.00 178.32 1bk7 s ASN 71 N -3.03 7.09 0.13 6.66 3.84 -1.26 -4.91 114.94 123.47 1bk7 s ASN 71 Ca 0.62 1.36 0.23 0.00 0.21 0.00 0.00 52.86 55.28 1bk7 s ASN 71 Cb -0.15 -2.53 0.08 0.00 -0.55 0.00 0.00 41.25 38.10 1bk7 s ASN 71 CO 0.40 -0.62 1.08 1.33 -2.79 0.00 0.00 177.10 176.50 1bk7 n VAL 72 N 5.21 0.41 -0.02 -5.21 0.24 -1.26 -4.18 118.33 113.51 1bk7 n VAL 72 Ca 0.11 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 61.93 1bk7 n VAL 72 Cb 0.47 -0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.57 1bk7 n VAL 72 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bk7 n LEU 73 N -2.33 0.83 -3.95 1.34 4.77 -1.26 -0.52 117.00 115.89 1bk7 n LEU 73 Ca 0.01 0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1bk7 n LEU 73 Cb 0.49 0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1bk7 n LEU 73 CO 0.39 0.37 -0.24 -0.13 -1.33 0.00 0.00 177.39 176.46 1bk7 s ARG 74 N -2.62 0.59 0.00 3.23 0.52 -1.26 -4.49 118.95 114.92 1bk7 s ARG 74 Ca -0.05 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1bk7 s ARG 74 Cb 0.08 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.78 1bk7 s ARG 74 CO 0.82 -0.14 0.85 0.00 0.02 0.00 0.00 175.30 176.85 1bk7 n ALA 75 N 0.68 2.48 -3.97 2.13 0.00 -1.26 -4.44 120.51 116.13 1bk7 n ALA 75 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1bk7 n ALA 75 Cb 0.59 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 1bk7 n ALA 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1bk7 s ASN 76 N 0.71 4.45 0.07 0.00 3.84 -1.26 -4.98 114.94 117.76 1bk7 s ASN 76 Ca 0.00 -2.72 -0.21 0.00 0.21 0.00 0.00 52.86 50.14 1bk7 s ASN 76 Cb 0.00 -1.62 -0.12 0.00 -0.55 0.00 0.00 41.25 38.96 1bk7 s ASN 76 CO 0.00 -0.28 1.53 0.78 -2.79 0.00 0.00 177.10 176.34 1bk7 h ASN 77 N 6.88 0.24 -0.75 -4.21 2.35 -1.91 -3.19 115.58 114.98 1bk7 h ASN 77 Ca -0.07 -0.26 0.09 0.00 -0.55 0.00 0.00 56.30 55.52 1bk7 h ASN 77 Cb 0.93 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.19 1bk7 h ASN 77 CO 0.63 0.43 0.49 1.56 -1.65 0.00 0.00 177.43 178.90 1bk7 h GLN 78 N 0.03 0.66 -0.13 0.81 4.20 -1.94 -0.73 115.11 118.00 1bk7 h GLN 78 Ca 0.05 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1bk7 h GLN 78 Cb 0.30 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1bk7 h GLN 78 CO 0.00 0.44 -0.35 0.37 -0.67 0.00 0.00 178.83 178.62 1bk7 h GLN 79 N 0.68 0.26 -0.18 1.46 4.15 -1.99 -0.62 115.11 118.88 1bk7 h GLN 79 Ca 0.35 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 1bk7 h GLN 79 Cb 0.44 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1bk7 h GLN 79 CO -0.13 0.58 -0.16 0.35 -1.93 0.00 0.00 178.83 177.54 1bk7 h PHE 80 N 0.23 0.52 -0.63 3.99 3.57 -1.16 -1.08 116.94 122.37 1bk7 h PHE 80 Ca 0.03 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 1bk7 h PHE 80 Cb 0.73 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1bk7 h PHE 80 CO 0.01 0.79 0.26 -1.49 -2.23 0.00 0.00 178.31 175.66 1bk7 h TRP 81 N 0.10 0.96 -0.63 0.41 6.55 -1.15 -1.06 115.95 121.12 1bk7 h TRP 81 Ca 0.03 -0.07 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 1bk7 h TRP 81 Cb 0.70 -0.29 -0.03 0.00 -0.86 0.00 0.00 29.16 28.68 1bk7 h TRP 81 CO 0.08 0.75 0.33 1.03 -1.05 0.00 0.00 178.44 179.58 1bk7 h SER 82 N 0.89 0.80 -0.50 -3.49 0.87 -1.06 -1.06 113.55 110.01 1bk7 h SER 82 Ca 0.21 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1bk7 h SER 82 Cb 0.19 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1bk7 h SER 82 CO -0.02 0.68 0.15 -0.74 -0.53 0.00 0.00 176.83 176.37 1bk7 h HIS 83 N 0.86 0.81 -0.37 2.24 -0.00 -0.89 -2.14 115.15 115.66 1bk7 h HIS 83 Ca 0.22 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.40 1bk7 h HIS 83 Cb 0.07 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 1bk7 h HIS 83 CO -0.00 0.71 -0.19 0.93 -0.00 0.00 0.00 177.93 179.38 1bk7 h GLU 84 N 0.67 0.70 0.04 5.26 4.39 -0.96 -1.54 114.58 123.13 1bk7 h GLU 84 Ca 0.16 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1bk7 h GLU 84 Cb 0.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1bk7 h GLU 84 CO -0.00 0.84 -0.02 2.35 -1.16 0.00 0.00 179.01 181.02 1bk7 h TRP 85 N 0.62 -0.05 -0.38 4.33 2.91 -1.08 -0.32 115.95 121.99 1bk7 h TRP 85 Ca 0.10 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1bk7 h TRP 85 Cb 0.66 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.31 1bk7 h TRP 85 CO 0.03 0.28 -0.02 1.15 -1.03 0.00 0.00 178.44 178.85 1bk7 h THR 86 N -0.38 1.22 0.08 2.65 2.02 -1.36 0.52 112.91 117.66 1bk7 h THR 86 Ca -0.01 -0.91 -0.30 0.00 0.77 0.00 0.00 66.41 65.97 1bk7 h THR 86 Cb 0.35 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1bk7 h THR 86 CO 0.01 0.31 -1.55 0.50 0.37 0.00 0.00 175.52 175.16 1bk7 h LYS 87 N 0.58 0.17 0.00 6.66 3.64 -1.31 -3.37 116.57 122.95 1bk7 h LYS 87 Ca 0.12 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1bk7 h LYS 87 Cb 0.40 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1bk7 h LYS 87 CO 0.02 0.99 -0.89 0.72 -2.27 0.00 0.00 179.45 178.02 1bk7 n HIS 88 N -3.36 0.00 -0.30 1.91 8.25 -0.19 -0.72 115.22 120.80 1bk7 n HIS 88 Ca -0.16 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1bk7 n HIS 88 Cb 1.03 0.05 0.33 0.00 1.12 0.00 0.00 29.99 32.52 1bk7 n HIS 88 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1bk7 h GLY 89 N 0.00 1.39 2.00 -1.41 0.00 -0.48 -1.22 103.07 103.35 1bk7 h GLY 89 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1bk7 h GLY 89 CO 0.00 0.10 -0.03 -0.91 0.00 0.00 0.00 176.54 175.70 1bk7 h THR 90 N 0.79 0.52 0.00 4.70 1.35 -1.22 -2.17 112.91 116.88 1bk7 h THR 90 Ca 0.47 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1bk7 h THR 90 Cb 0.67 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1bk7 h THR 90 CO -0.24 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.07 1bk7 n SER 92 N -1.43 1.76 0.30 0.00 3.41 -0.82 -4.72 113.62 112.11 1bk7 n SER 92 Ca 0.06 -2.18 0.18 0.00 -0.26 0.00 0.00 58.87 56.68 1bk7 n SER 92 Cb 0.22 -0.12 0.96 0.00 -0.26 0.00 0.00 64.21 65.00 1bk7 n SER 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1bk7 h GLU 93 N 0.00 0.00 0.00 4.33 4.81 -1.43 -1.14 114.58 121.16 1bk7 h GLU 93 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bk7 h GLU 93 Cb 0.74 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1bk7 h GLU 93 CO 0.00 0.03 -0.02 0.66 -0.73 0.00 0.00 179.01 178.95 1bk7 h SER 94 N 0.00 0.00 0.00 1.04 4.64 -1.86 -3.26 113.55 114.10 1bk7 h SER 94 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bk7 h SER 94 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1bk7 h SER 94 CO 0.00 0.02 -0.58 0.35 -0.87 0.00 0.00 176.83 175.76 1bk7 n THR 95 N -3.43 0.00 -3.98 2.95 -2.24 -1.01 -5.01 114.28 101.57 1bk7 n THR 95 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 1bk7 n THR 95 Cb 0.13 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 1bk7 n THR 95 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1bk7 s PHE 96 N -1.17 2.60 0.99 4.78 0.08 -0.46 -5.08 117.98 119.71 1bk7 s PHE 96 Ca 0.00 -1.86 -0.13 0.00 0.12 0.00 0.00 56.93 55.06 1bk7 s PHE 96 Cb 0.00 -1.67 0.18 0.00 -0.57 0.00 0.00 43.02 40.96 1bk7 s PHE 96 CO 0.00 -0.79 1.12 0.54 -0.10 0.00 0.00 175.22 175.99 1bk7 s ASN 97 N 1.33 2.81 0.24 1.36 2.20 -1.26 -3.87 114.94 117.75 1bk7 s ASN 97 Ca -0.06 0.97 -0.05 0.00 -0.94 0.00 0.00 52.86 52.78 1bk7 s ASN 97 Cb -0.19 -1.52 0.44 0.00 -2.00 0.00 0.00 41.25 37.98 1bk7 s ASN 97 CO -0.06 -2.99 1.71 -0.61 -2.94 0.00 0.00 177.10 172.21 1bk7 h GLN 98 N -1.80 0.36 -0.34 3.55 4.15 -1.95 -0.78 115.11 118.30 1bk7 h GLN 98 Ca -0.51 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 1bk7 h GLN 98 Cb 1.33 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1bk7 h GLN 98 CO 0.56 0.24 0.17 0.00 -1.93 0.00 0.00 178.83 177.87 1bk7 h ALA 99 N 1.56 0.44 -0.18 3.38 0.00 -1.92 -2.64 119.26 119.90 1bk7 h ALA 99 Ca 0.40 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1bk7 h ALA 99 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1bk7 h ALA 99 CO -0.43 -0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.52 1bk7 h ALA 100 N 1.02 1.17 -0.08 0.00 0.00 -1.76 -2.34 119.26 117.27 1bk7 h ALA 100 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bk7 h ALA 100 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bk7 h ALA 100 CO -0.02 0.53 0.04 -0.92 0.00 0.00 0.00 179.25 178.89 1bk7 h TYR 101 N 0.30 0.12 -0.06 0.00 3.20 -0.98 0.05 116.97 119.60 1bk7 h TYR 101 Ca 0.04 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 1bk7 h TYR 101 Cb 0.68 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1bk7 h TYR 101 CO 0.02 0.22 -0.53 0.74 -1.64 0.00 0.00 178.16 176.97 1bk7 h PHE 102 N -0.01 0.19 -0.50 -3.82 0.04 -1.45 -2.44 116.94 108.94 1bk7 h PHE 102 Ca 0.03 -0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1bk7 h PHE 102 Cb 0.15 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1bk7 h PHE 102 CO -0.02 0.65 -0.14 -0.22 -0.60 0.00 0.00 178.31 177.98 1bk7 h LYS 103 N 0.12 0.96 0.05 1.51 1.63 -1.26 -2.07 116.57 117.52 1bk7 h LYS 103 Ca 0.00 -0.36 0.01 0.00 -0.85 0.00 0.00 60.65 59.45 1bk7 h LYS 103 Cb 0.97 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 1bk7 h LYS 103 CO 0.08 1.03 -0.11 1.25 -3.45 0.00 0.00 179.45 178.24 1bk7 h LEU 104 N 0.85 -0.31 -0.67 5.20 5.85 -0.67 -0.27 115.31 125.28 1bk7 h LEU 104 Ca 0.13 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1bk7 h LEU 104 Cb 0.69 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1bk7 h LEU 104 CO 0.05 -0.16 0.38 0.00 -0.34 0.00 0.00 178.44 178.37 1bk7 h ALA 105 N 0.71 0.90 -0.45 1.25 0.00 -1.31 0.80 119.26 121.17 1bk7 h ALA 105 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bk7 h ALA 105 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1bk7 h ALA 105 CO -0.08 0.07 0.15 0.28 0.00 0.00 0.00 179.25 179.67 1bk7 h VAL 106 N 0.71 1.22 -0.57 0.00 2.07 -1.04 -1.38 116.25 117.26 1bk7 h VAL 106 Ca 0.30 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1bk7 h VAL 106 Cb 0.17 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1bk7 h VAL 106 CO -0.17 0.26 0.19 0.44 0.02 0.00 0.00 177.57 178.31 1bk7 h ASP 107 N 0.58 0.82 -0.46 0.57 3.32 -0.59 -1.42 116.42 119.25 1bk7 h ASP 107 Ca 0.15 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1bk7 h ASP 107 Cb 0.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1bk7 h ASP 107 CO -0.01 0.80 0.28 0.24 -1.72 0.00 0.00 179.24 178.83 1bk7 h MET 108 N 0.80 0.55 -0.73 3.56 2.86 -0.65 -1.69 114.93 119.63 1bk7 h MET 108 Ca 0.19 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1bk7 h MET 108 Cb 0.26 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1bk7 h MET 108 CO -0.01 0.36 0.41 -0.09 1.06 0.00 0.00 176.91 178.64 1bk7 h ARG 109 N 0.57 1.02 0.00 1.72 9.65 -0.96 -1.21 114.38 125.17 1bk7 h ARG 109 Ca 0.18 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1bk7 h ARG 109 Cb -0.01 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1bk7 h ARG 109 CO -0.07 0.75 0.00 -0.91 2.80 0.00 0.00 179.97 182.54 1bk7 h ASN 110 N 1.01 0.00 -0.25 -3.80 2.35 -0.87 -2.99 115.58 111.03 1bk7 h ASN 110 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1bk7 h ASN 110 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1bk7 h ASN 110 CO -0.04 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.33 1bk7 n ASN 111 N -3.01 2.90 -3.32 5.81 3.02 -0.67 -4.66 115.26 115.32 1bk7 n ASN 111 Ca 0.01 -1.85 -0.25 0.00 -0.03 0.00 0.00 54.58 52.45 1bk7 n ASN 111 Cb 0.29 -0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.22 1bk7 n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bk7 n TYR 112 N 1.04 0.73 -2.65 3.10 4.19 -0.53 -5.05 117.16 117.99 1bk7 n TYR 112 Ca 0.14 -3.71 -0.42 0.00 3.31 0.00 0.00 57.90 57.22 1bk7 n TYR 112 Cb 0.48 -0.32 -0.03 0.00 0.49 0.00 0.00 39.34 39.96 1bk7 n TYR 112 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1bk7 s ASP 113 N -1.31 6.30 0.05 2.98 2.15 -1.26 -4.87 116.67 120.70 1bk7 s ASP 113 Ca 0.35 -0.97 -0.29 0.00 0.43 0.00 0.00 52.55 52.07 1bk7 s ASP 113 Cb 0.13 -2.52 -0.18 0.00 -0.30 0.00 0.00 42.92 40.05 1bk7 s ASP 113 CO -0.11 -1.61 1.51 0.40 -0.17 0.00 0.00 175.17 175.20 1bk7 h ILE 114 N 6.21 0.47 -0.56 4.11 2.04 -1.97 -2.39 117.51 125.43 1bk7 h ILE 114 Ca -0.11 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1bk7 h ILE 114 Cb 1.04 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1bk7 h ILE 114 CO 1.29 0.03 0.35 0.40 0.00 0.00 0.00 178.15 180.21 1bk7 h ILE 115 N -0.80 1.15 0.00 -0.67 1.08 -1.99 -1.17 117.51 115.12 1bk7 h ILE 115 Ca -0.07 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 1bk7 h ILE 115 Cb 0.58 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1bk7 h ILE 115 CO 0.12 0.16 -0.23 1.23 -0.69 0.00 0.00 178.15 178.73 1bk7 h GLY 116 N 0.79 0.00 1.83 5.37 0.00 -1.95 0.11 103.07 109.22 1bk7 h GLY 116 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 1bk7 h GLY 116 CO -0.04 0.00 -0.95 0.00 0.00 0.00 0.00 176.54 175.55 1bk7 h ALA 117 N 1.77 0.50 0.08 3.60 0.00 -0.71 -3.38 119.26 121.13 1bk7 h ALA 117 Ca -0.00 -0.83 -0.35 0.00 0.00 0.00 0.00 54.91 53.73 1bk7 h ALA 117 Cb 0.48 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1bk7 h ALA 117 CO 0.03 1.08 -1.99 1.28 0.00 0.00 0.00 179.25 179.65 1bk7 n LEU 118 N -3.25 2.15 -0.26 0.00 4.77 -0.76 -4.55 117.00 115.09 1bk7 n LEU 118 Ca -0.02 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.25 1bk7 n LEU 118 Cb 0.89 -0.73 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 1bk7 n LEU 118 CO 0.45 0.74 0.87 -0.09 -1.33 0.00 0.00 177.39 178.02 1bk7 h ARG 119 N 0.05 0.15 0.00 3.23 2.43 -0.97 -1.69 114.38 117.57 1bk7 h ARG 119 Ca -0.41 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1bk7 h ARG 119 Cb 2.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.54 1bk7 h ARG 119 CO 0.07 0.10 -0.03 -1.35 -1.51 0.00 0.00 179.97 177.24 1bk7 h PRO 120 N 0.15 0.00 -0.51 0.20 0.11 -1.80 -2.62 132.00 127.53 1bk7 h PRO 120 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1bk7 h PRO 120 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1bk7 h PRO 120 CO -0.64 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 177.91 1bk7 n HIS 121 N -3.20 1.77 -2.32 0.65 8.25 -0.70 -4.92 115.22 114.75 1bk7 n HIS 121 Ca -0.01 -0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 56.50 1bk7 n HIS 121 Cb 0.22 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 1bk7 n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bk7 n ALA 122 N 0.42 -0.57 -0.40 -1.41 0.00 -0.99 -4.88 120.51 112.68 1bk7 n ALA 122 Ca 0.26 0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.95 1bk7 n ALA 122 Cb 1.10 -2.13 0.21 0.00 0.00 0.00 0.00 19.45 18.62 1bk7 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bk7 n ALA 123 N -1.72 2.44 -0.99 0.00 0.00 -0.83 -5.02 120.51 114.40 1bk7 n ALA 123 Ca -0.24 -1.44 -0.29 0.00 0.00 0.00 0.00 53.44 51.47 1bk7 n ALA 123 Cb 0.68 -0.58 0.18 0.00 0.00 0.00 0.00 19.45 19.73 1bk7 n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bk7 s GLY 124 N -1.19 1.59 0.24 0.00 0.00 -1.24 -4.78 107.32 101.94 1bk7 s GLY 124 Ca 0.31 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.62 1bk7 s GLY 124 CO 0.16 0.46 1.29 2.56 0.00 0.00 0.00 173.10 177.58 1bk7 s PRO 125 N -4.80 4.40 0.00 2.90 0.04 -1.26 -4.89 135.00 131.39 1bk7 s PRO 125 Ca 0.65 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1bk7 s PRO 125 Cb -0.20 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1bk7 s PRO 125 CO 0.59 -0.20 0.58 0.27 0.04 0.00 0.00 177.00 178.28 1bk7 n ASN 126 N 2.03 0.00 -0.92 6.66 0.23 -0.90 -5.01 115.26 117.35 1bk7 n ASN 126 Ca 0.04 -1.27 -0.12 0.00 -0.53 0.00 0.00 54.58 52.70 1bk7 n ASN 126 Cb 0.43 -0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1bk7 n ASN 126 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bk7 n GLY 127 N 0.00 1.27 3.75 4.83 0.00 -1.22 -5.00 105.19 108.83 1bk7 n GLY 127 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1bk7 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bk7 s ARG 128 N -2.92 2.20 0.24 1.61 0.52 -1.25 -4.75 118.95 114.60 1bk7 s ARG 128 Ca 0.00 -1.98 -0.30 0.00 -0.52 0.00 0.00 55.73 52.93 1bk7 s ARG 128 Cb 0.00 -1.90 -0.09 0.00 0.52 0.00 0.00 34.95 33.48 1bk7 s ARG 128 CO 0.00 -0.21 1.33 0.99 0.02 0.00 0.00 175.30 177.42 1bk7 s THR 129 N -2.68 2.99 0.11 0.02 2.01 -1.26 -1.39 115.64 115.43 1bk7 s THR 129 Ca 0.34 0.86 0.06 0.00 0.31 0.00 0.00 61.69 63.26 1bk7 s THR 129 Cb 0.03 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1bk7 s THR 129 CO 0.19 0.15 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.60 1bk7 s LYS 130 N -0.62 0.97 -0.14 4.92 -0.14 0.35 -4.91 119.74 120.17 1bk7 s LYS 130 Ca 0.55 -1.17 -0.14 0.00 -1.36 0.00 0.00 55.97 53.85 1bk7 s LYS 130 Cb -0.38 -0.86 -0.05 0.00 -1.68 0.00 0.00 37.83 34.86 1bk7 s LYS 130 CO 0.43 0.17 0.31 0.45 -0.76 0.00 0.00 175.35 175.94 1bk7 s SER 131 N -2.30 6.48 0.24 2.83 0.15 -1.26 -2.23 113.70 117.60 1bk7 s SER 131 Ca 0.06 0.57 -0.06 0.00 0.70 0.00 0.00 55.95 57.22 1bk7 s SER 131 Cb -0.06 -2.19 0.35 0.00 -1.71 0.00 0.00 66.02 62.41 1bk7 s SER 131 CO 0.03 0.13 1.82 -0.09 1.20 0.00 0.00 173.24 176.32 1bk7 h ARG 132 N 6.42 0.79 -0.66 5.44 2.43 -1.47 -1.46 114.38 125.86 1bk7 h ARG 132 Ca -0.43 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1bk7 h ARG 132 Cb 1.17 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1bk7 h ARG 132 CO 0.74 0.52 0.22 1.96 -1.51 0.00 0.00 179.97 181.89 1bk7 h GLN 133 N 0.81 1.02 0.05 0.20 4.20 -1.92 -1.51 115.11 117.96 1bk7 h GLN 133 Ca 0.37 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1bk7 h GLN 133 Cb 0.28 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1bk7 h GLN 133 CO -0.22 0.89 -0.02 0.00 -0.67 0.00 0.00 178.83 178.81 1bk7 h ALA 134 N 1.09 -0.06 -0.33 3.87 0.00 -1.79 -0.94 119.26 121.11 1bk7 h ALA 134 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bk7 h ALA 134 Cb 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bk7 h ALA 134 CO -0.01 -0.40 0.22 0.82 0.00 0.00 0.00 179.25 179.87 1bk7 h ILE 135 N -0.33 1.08 -0.79 0.00 1.08 -1.25 -0.59 117.51 116.72 1bk7 h ILE 135 Ca -0.01 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1bk7 h ILE 135 Cb 0.30 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 1bk7 h ILE 135 CO 0.01 0.08 0.39 0.11 -0.69 0.00 0.00 178.15 178.05 1bk7 h LYS 136 N 0.44 1.12 -0.64 2.37 1.57 -1.28 -2.18 116.57 117.96 1bk7 h LYS 136 Ca 0.12 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1bk7 h LYS 136 Cb -0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1bk7 h LYS 136 CO -0.03 0.85 0.08 0.78 -0.57 0.00 0.00 179.45 180.56 1bk7 h GLY 137 N 1.15 1.15 1.04 3.86 0.00 -0.53 -0.78 103.07 108.96 1bk7 h GLY 137 Ca 0.27 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1bk7 h GLY 137 CO -0.04 0.73 -0.02 0.74 0.00 0.00 0.00 176.54 177.95 1bk7 h PHE 138 N 0.98 1.03 -0.40 5.60 0.04 -0.87 -1.12 116.94 122.19 1bk7 h PHE 138 Ca 0.19 -0.19 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1bk7 h PHE 138 Cb 0.46 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1bk7 h PHE 138 CO 0.03 0.95 -0.28 -0.07 -0.60 0.00 0.00 178.31 178.35 1bk7 h LEU 139 N 0.80 0.90 -0.93 1.54 3.38 -1.28 -2.50 115.31 117.21 1bk7 h LEU 139 Ca 0.14 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1bk7 h LEU 139 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1bk7 h LEU 139 CO 0.03 1.11 -0.06 0.50 0.09 0.00 0.00 178.44 180.11 1bk7 h LYS 140 N 0.74 0.71 -0.42 1.13 3.64 -1.00 0.40 116.57 121.77 1bk7 h LYS 140 Ca 0.09 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1bk7 h LYS 140 Cb 0.83 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1bk7 h LYS 140 CO 0.07 0.77 0.22 0.00 -2.27 0.00 0.00 179.45 178.24 1bk7 h ALA 141 N 1.28 0.54 0.02 5.00 0.00 -0.98 0.44 119.26 125.56 1bk7 h ALA 141 Ca 0.12 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1bk7 h ALA 141 Cb 0.50 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bk7 h ALA 141 CO 0.03 0.08 -0.61 -0.22 0.00 0.00 0.00 179.25 178.52 1bk7 h LYS 142 N 0.54 0.37 0.00 0.00 1.63 -1.25 -3.38 116.57 114.49 1bk7 h LYS 142 Ca 0.15 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1bk7 h LYS 142 Cb 0.08 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1bk7 h LYS 142 CO -0.02 1.12 -1.24 1.19 -3.45 0.00 0.00 179.45 177.05 1bk7 n PHE 143 N -4.22 0.10 0.00 1.91 3.72 0.11 -5.00 117.46 114.07 1bk7 n PHE 143 Ca -0.11 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1bk7 n PHE 143 Cb 0.69 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1bk7 n PHE 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bk7 n GLY 144 N 1.39 2.80 3.17 1.37 0.00 0.15 -5.03 105.19 109.05 1bk7 n GLY 144 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1bk7 n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bk7 s LYS 145 N -0.87 0.89 0.07 1.61 -0.14 -1.24 -4.95 119.74 115.12 1bk7 s LYS 145 Ca 0.00 -1.40 -0.30 0.00 -1.36 0.00 0.00 55.97 52.91 1bk7 s LYS 145 Cb 0.00 -0.03 -0.05 0.00 -1.68 0.00 0.00 37.83 36.08 1bk7 s LYS 145 CO 0.00 -0.13 0.99 -0.06 -0.76 0.00 0.00 175.35 175.39 1bk7 s PHE 146 N -3.80 3.72 0.73 3.18 0.08 -1.26 -3.68 117.98 116.95 1bk7 s PHE 146 Ca 0.17 1.72 -0.05 0.00 0.12 0.00 0.00 56.93 58.89 1bk7 s PHE 146 Cb 0.07 -3.12 0.10 0.00 -0.57 0.00 0.00 43.02 39.50 1bk7 s PHE 146 CO -0.02 -0.02 1.02 -1.25 -0.10 0.00 0.00 175.22 174.85 1bk7 s PRO 147 N 0.41 1.84 -0.12 0.24 0.04 -1.26 -0.91 135.00 135.23 1bk7 s PRO 147 Ca 0.50 -0.61 -0.02 0.00 0.04 0.00 0.00 61.00 60.91 1bk7 s PRO 147 Cb -0.23 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1bk7 s PRO 147 CO 0.29 -1.42 -0.04 0.20 0.04 0.00 0.00 177.00 176.08 1bk7 s GLY 148 N -4.63 1.74 -0.14 0.56 0.00 0.33 -4.61 107.32 100.57 1bk7 s GLY 148 Ca 0.64 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 1bk7 s GLY 148 CO 0.45 -0.33 -0.07 1.08 0.00 0.00 0.00 173.10 174.23 1bk7 s LEU 149 N -0.20 3.07 -0.08 0.66 1.43 -1.26 -0.01 118.68 122.29 1bk7 s LEU 149 Ca 0.04 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1bk7 s LEU 149 Cb -0.13 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1bk7 s LEU 149 CO 0.02 0.19 -0.22 -0.13 0.23 0.00 0.00 176.35 176.44 1bk7 s ARG 150 N 0.22 2.83 0.26 1.70 0.52 -0.32 -0.99 118.95 123.17 1bk7 s ARG 150 Ca -0.04 -0.85 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1bk7 s ARG 150 Cb -0.14 -2.29 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 1bk7 s ARG 150 CO 0.04 0.31 -0.05 0.00 0.02 0.00 0.00 175.30 175.61 1bk7 s ARG 152 N -3.75 0.29 -0.23 0.00 0.52 0.15 -4.82 118.95 111.11 1bk7 s ARG 152 Ca 0.29 -0.30 -0.10 0.00 -0.52 0.00 0.00 55.73 55.10 1bk7 s ARG 152 Cb 0.04 -0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.29 1bk7 s ARG 152 CO 0.11 0.04 0.14 0.99 0.02 0.00 0.00 175.30 176.59 1bk7 s THR 153 N -0.54 5.21 0.11 0.02 2.01 -1.26 -0.16 115.64 121.04 1bk7 s THR 153 Ca -0.04 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 1bk7 s THR 153 Cb -0.04 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 1bk7 s THR 153 CO -0.00 0.37 1.58 -0.62 -0.69 0.00 0.00 174.62 175.26 1bk7 s ASP 154 N 0.90 6.63 0.34 3.53 -1.08 0.17 -4.87 116.67 122.27 1bk7 s ASP 154 Ca 0.07 2.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.88 1bk7 s ASP 154 Cb -0.13 -2.58 1.04 0.00 -1.46 0.00 0.00 42.92 39.79 1bk7 s ASP 154 CO 0.03 -0.83 1.79 -0.65 0.52 0.00 0.00 175.17 176.02 1bk7 h PRO 155 N 7.49 0.00 0.04 4.34 0.11 -1.96 0.26 132.00 142.27 1bk7 h PRO 155 Ca -0.42 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.47 1bk7 h PRO 155 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1bk7 h PRO 155 CO 0.92 0.00 -1.18 1.96 -0.21 0.00 0.00 178.00 179.48 1bk7 h GLN 156 N 0.00 0.08 0.00 1.05 7.50 -1.98 -3.40 115.11 118.36 1bk7 h GLN 156 Ca 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 59.02 1bk7 h GLN 156 Cb 0.47 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1bk7 h GLN 156 CO 0.00 1.06 -0.97 0.25 -1.50 0.00 0.00 178.83 177.67 1bk7 n THR 157 N -4.27 0.00 -1.27 -0.54 -2.24 -1.23 -4.98 114.28 99.75 1bk7 n THR 157 Ca -0.28 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1bk7 n THR 157 Cb 0.73 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1bk7 n THR 157 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bk7 n LYS 158 N -1.51 -1.19 -3.15 -0.78 4.76 0.91 -4.98 118.16 112.22 1bk7 n LYS 158 Ca 0.03 0.77 -0.37 0.00 -2.87 0.00 0.00 58.31 55.87 1bk7 n LYS 158 Cb 0.31 -4.88 -0.06 0.00 -1.84 0.00 0.00 35.03 28.56 1bk7 n LYS 158 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bk7 s VAL 159 N -2.07 4.61 -0.13 -0.18 1.01 -1.25 -4.74 120.40 117.65 1bk7 s VAL 159 Ca 0.00 1.27 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 1bk7 s VAL 159 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1bk7 s VAL 159 CO 0.00 0.33 0.29 -0.55 0.00 0.00 0.00 175.10 175.17 1bk7 s SER 160 N -1.47 6.49 0.02 3.32 0.15 -1.26 -0.66 113.70 120.29 1bk7 s SER 160 Ca 0.38 0.58 0.09 0.00 0.70 0.00 0.00 55.95 57.70 1bk7 s SER 160 Cb -0.18 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1bk7 s SER 160 CO 0.21 0.18 -0.26 -0.31 1.20 0.00 0.00 173.24 174.27 1bk7 s TYR 161 N -0.01 2.26 -0.04 3.44 1.51 0.78 -0.80 117.35 124.49 1bk7 s TYR 161 Ca 0.17 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1bk7 s TYR 161 Cb -0.13 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1bk7 s TYR 161 CO 0.05 0.07 1.09 -1.17 -1.11 0.00 0.00 175.55 174.48 1bk7 s LEU 162 N -1.02 4.31 -0.00 -1.29 2.96 -0.93 -0.68 118.68 122.03 1bk7 s LEU 162 Ca 0.11 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1bk7 s LEU 162 Cb -0.10 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 1bk7 s LEU 162 CO 0.01 -0.45 0.00 1.33 -1.32 0.00 0.00 176.35 175.93 1bk7 n VAL 163 N 4.31 0.02 -3.98 1.68 0.24 -0.27 -4.84 118.33 115.49 1bk7 n VAL 163 Ca 0.09 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.29 1bk7 n VAL 163 Cb 0.48 -0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 31.77 1bk7 n VAL 163 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1bk7 s GLN 164 N -2.01 0.36 -0.09 7.34 -0.21 -0.95 -0.72 119.66 123.39 1bk7 s GLN 164 Ca -0.00 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.74 1bk7 s GLN 164 Cb 0.00 0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.15 1bk7 s GLN 164 CO 0.01 -0.06 -0.15 0.08 -2.12 0.00 0.00 175.29 173.05 1bk7 s VAL 165 N -1.74 1.38 -0.13 1.09 1.01 -0.34 -1.17 120.40 120.50 1bk7 s VAL 165 Ca -0.13 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1bk7 s VAL 165 Cb -0.08 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1bk7 s VAL 165 CO -0.02 0.41 0.00 -0.69 0.00 0.00 0.00 175.10 174.81 1bk7 s VAL 166 N 0.80 4.28 -0.16 2.92 1.01 0.98 -1.50 120.40 128.74 1bk7 s VAL 166 Ca -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1bk7 s VAL 166 Cb -0.16 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1bk7 s VAL 166 CO 0.02 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 1bk7 s ALA 167 N -0.22 2.70 -0.14 5.51 0.00 -0.27 -0.51 121.76 128.83 1bk7 s ALA 167 Ca 0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1bk7 s ALA 167 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1bk7 s ALA 167 CO 0.02 0.05 0.16 0.00 0.00 0.00 0.00 175.76 175.98 1bk7 s PHE 169 N -0.58 1.63 1.05 0.00 0.40 -0.43 -0.80 117.98 119.25 1bk7 s PHE 169 Ca 0.14 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 1bk7 s PHE 169 Cb -0.12 -0.88 0.22 0.00 0.51 0.00 0.00 43.02 42.75 1bk7 s PHE 169 CO 0.03 0.19 1.14 0.00 0.70 0.00 0.00 175.22 177.28 1bk7 s ALA 170 N -1.47 1.18 -0.62 5.36 0.00 0.32 -0.58 121.76 125.95 1bk7 s ALA 170 Ca 0.07 -0.74 0.15 0.00 0.00 0.00 0.00 51.96 51.44 1bk7 s ALA 170 Cb -0.09 -2.96 0.72 0.00 0.00 0.00 0.00 23.12 20.79 1bk7 s ALA 170 CO 0.04 -2.94 1.46 0.00 0.00 0.00 0.00 175.76 174.32 1bk7 n GLN 171 N -4.25 0.09 0.00 0.00 10.64 -1.18 -1.39 117.38 121.29 1bk7 n GLN 171 Ca 0.10 0.49 0.11 0.00 -1.83 0.00 0.00 57.00 55.87 1bk7 n GLN 171 Cb 0.59 -1.74 0.52 0.00 -0.86 0.00 0.00 30.24 28.76 1bk7 n GLN 171 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1bk7 n ASP 172 N -1.92 0.00 -0.83 2.61 5.75 -1.26 -4.90 116.55 116.00 1bk7 n ASP 172 Ca 0.01 0.30 -0.11 0.00 -0.01 0.00 0.00 54.79 54.98 1bk7 n ASP 172 Cb 0.09 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 1bk7 n ASP 172 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bk7 n GLY 173 N 0.80 1.19 0.00 6.12 0.00 -0.49 -4.76 105.19 108.05 1bk7 n GLY 173 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1bk7 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bk7 n SER 174 N -0.19 0.00 -4.59 1.61 3.41 -1.26 -5.00 113.62 107.59 1bk7 n SER 174 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.08 1bk7 n SER 174 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1bk7 n SER 174 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1bk7 s THR 175 N -0.51 4.77 0.25 6.66 2.01 -1.26 -4.97 115.64 122.58 1bk7 s THR 175 Ca 0.00 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 1bk7 s THR 175 Cb 0.00 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 1bk7 s THR 175 CO 0.00 -0.37 1.13 -0.22 -0.69 0.00 0.00 174.62 174.48 1bk7 s LEU 176 N 3.02 4.52 0.20 4.42 2.96 -1.26 -0.53 118.68 132.01 1bk7 s LEU 176 Ca 0.31 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.51 1bk7 s LEU 176 Cb -0.14 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 1bk7 s LEU 176 CO 0.15 -0.22 -0.00 0.27 -1.32 0.00 0.00 176.35 175.23 1bk7 s ILE 177 N -0.83 0.83 0.32 6.68 -4.36 0.02 -4.85 121.20 119.01 1bk7 s ILE 177 Ca 0.47 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.57 1bk7 s ILE 177 Cb -0.32 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.07 1bk7 s ILE 177 CO 0.40 -0.41 1.29 -1.81 0.24 0.00 0.00 174.94 174.65 1bk7 s ASP 178 N -3.23 6.82 0.40 4.36 1.01 -1.26 -4.12 116.67 120.66 1bk7 s ASP 178 Ca 0.26 2.64 -0.06 0.00 0.71 0.00 0.00 52.55 56.10 1bk7 s ASP 178 Cb 0.06 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1bk7 s ASP 178 CO 0.06 -0.50 0.70 0.00 0.21 0.00 0.00 175.17 175.65 1bk7 n THR 180 N -1.66 0.11 -4.14 0.00 -2.24 -1.26 -4.85 114.28 100.24 1bk7 n THR 180 Ca -0.00 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.18 1bk7 n THR 180 Cb 0.55 1.22 -0.17 0.00 -2.10 0.00 0.00 70.33 69.83 1bk7 n THR 180 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bk7 s ARG 181 N -0.11 0.90 0.19 -0.78 0.52 -1.26 -5.14 118.95 113.27 1bk7 s ARG 181 Ca 0.00 -0.11 0.10 0.00 -0.52 0.00 0.00 55.73 55.20 1bk7 s ARG 181 Cb 0.00 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 1bk7 s ARG 181 CO 0.00 -0.11 -0.21 -0.51 0.02 0.00 0.00 175.30 174.49 1bk7 s ASP 182 N 1.05 3.09 0.00 0.23 1.01 -1.26 -4.26 116.67 116.53 1bk7 s ASP 182 Ca -0.09 -0.88 0.03 0.00 0.71 0.00 0.00 52.55 52.32 1bk7 s ASP 182 Cb -0.14 -0.21 0.07 0.00 1.01 0.00 0.00 42.92 43.65 1bk7 s ASP 182 CO -0.01 0.04 1.01 0.35 0.21 0.00 0.00 175.17 176.77 1bk7 n THR 183 N 0.19 0.87 -3.73 -1.27 -2.24 -0.17 -4.98 114.28 102.96 1bk7 n THR 183 Ca -0.12 -0.94 -0.32 0.00 -2.27 0.00 0.00 64.05 60.41 1bk7 n THR 183 Cb 0.57 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1bk7 n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bk7 n GLY 185 N 0.20 0.33 0.23 0.00 0.00 -1.26 -4.97 105.19 99.72 1bk7 n GLY 185 Ca -0.04 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.21 1bk7 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bk7 h ALA 186 N -1.35 1.67 -2.67 4.61 0.00 -1.99 -3.41 119.26 116.11 1bk7 h ALA 186 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1bk7 h ALA 186 Cb 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.57 1bk7 h ALA 186 CO 0.00 0.25 -0.71 -0.80 0.00 0.00 0.00 179.25 177.99 1bk7 s ASN 187 N -6.98 0.86 0.13 0.00 0.01 -1.26 -1.39 114.94 106.31 1bk7 s ASN 187 Ca -0.04 -0.78 -0.25 0.00 -0.71 0.00 0.00 52.86 51.08 1bk7 s ASN 187 Cb 0.16 0.09 0.07 0.00 0.41 0.00 0.00 41.25 41.97 1bk7 s ASN 187 CO 0.70 -0.36 0.82 0.72 -1.51 0.00 0.00 177.10 177.47 1bk7 s PHE 188 N -2.58 -0.29 -0.05 2.20 -0.12 -0.95 -4.87 117.98 111.33 1bk7 s PHE 188 Ca 0.00 0.02 -0.17 0.00 -0.05 0.00 0.00 56.93 56.73 1bk7 s PHE 188 Cb -0.02 0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 1bk7 s PHE 188 CO -0.03 -0.83 0.47 0.42 -0.05 0.00 0.00 175.22 175.20 1bk7 s ILE 189 N -3.46 5.06 0.00 -4.49 1.01 0.02 -0.49 121.20 118.85 1bk7 s ILE 189 Ca 0.08 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1bk7 s ILE 189 Cb -0.02 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1bk7 s ILE 189 CO -0.03 0.45 0.00 0.33 0.00 0.00 0.00 174.94 175.68