#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w29 h SER 16 N 0.00 0.00 -0.09 0.00 4.64 -1.89 -3.02 113.55 113.19 1w29 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w29 h SER 16 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1w29 h SER 16 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1w29 n GLY 17 N -1.43 0.46 3.79 -0.77 0.00 -1.26 -4.79 105.19 101.18 1w29 n GLY 17 Ca 0.02 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1w29 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w29 s VAL 18 N -1.90 4.34 -0.39 1.61 0.11 -1.14 -5.05 120.40 117.98 1w29 s VAL 18 Ca 0.35 1.63 -0.15 0.00 -2.93 0.00 0.00 61.98 60.87 1w29 s VAL 18 Cb 0.20 -3.96 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 1w29 s VAL 18 CO 0.31 0.18 0.34 -0.13 -3.33 0.00 0.00 175.10 172.47 1w29 s ARG 19 N -1.99 3.21 -0.01 1.54 3.00 -1.26 -5.00 118.95 118.44 1w29 s ARG 19 Ca 0.47 -0.76 0.08 0.00 0.00 0.00 0.00 55.73 55.52 1w29 s ARG 19 Cb -0.18 -3.91 -0.02 0.00 0.00 0.00 0.00 34.95 30.83 1w29 s ARG 19 CO 0.23 -0.68 -0.25 -1.17 0.00 0.00 0.00 175.30 173.42 1w29 s LEU 20 N 1.89 2.10 0.06 2.53 2.96 -1.26 -0.45 118.68 126.51 1w29 s LEU 20 Ca 0.09 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1w29 s LEU 20 Cb -0.18 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1w29 s LEU 20 CO 0.11 0.31 -0.18 0.00 -1.32 0.00 0.00 176.35 175.28 1w29 s ALA 21 N -0.64 1.52 -0.07 5.97 0.00 -0.60 -1.55 121.76 126.37 1w29 s ALA 21 Ca 0.10 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1w29 s ALA 21 Cb -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1w29 s ALA 21 CO -0.00 0.30 -0.06 0.42 0.00 0.00 0.00 175.76 176.41 1w29 s ILE 22 N -0.98 0.78 -0.22 0.00 1.01 0.13 -0.76 121.20 121.15 1w29 s ILE 22 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1w29 s ILE 22 Cb -0.09 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1w29 s ILE 22 CO 0.02 0.30 -0.11 0.54 0.00 0.00 0.00 174.94 175.69 1w29 s VAL 23 N 1.26 2.62 -0.14 2.92 0.11 -0.23 -0.41 120.40 126.53 1w29 s VAL 23 Ca -0.05 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1w29 s VAL 23 Cb -0.14 -2.25 0.01 0.00 -1.53 0.00 0.00 36.38 32.48 1w29 s VAL 23 CO -0.02 0.34 -0.21 0.00 -3.33 0.00 0.00 175.10 171.88 1w29 s ALA 24 N 1.32 2.17 1.05 1.54 0.00 -0.14 -0.60 121.76 127.10 1w29 s ALA 24 Ca 0.02 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 1w29 s ALA 24 Cb -0.15 -0.97 0.22 0.00 0.00 0.00 0.00 23.12 22.21 1w29 s ALA 24 CO -0.07 -0.04 1.13 -1.54 0.00 0.00 0.00 175.76 175.24 1w29 s SER 25 N 0.84 2.21 0.00 0.00 1.04 -0.82 -2.08 113.70 114.89 1w29 s SER 25 Ca -0.07 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1w29 s SER 25 Cb -0.15 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.69 1w29 s SER 25 CO -0.02 -3.35 0.21 -1.20 0.98 0.00 0.00 173.24 169.87 1w29 n SER 26 N -4.27 0.43 -4.74 7.02 7.64 -0.42 -4.78 113.62 114.49 1w29 n SER 26 Ca 0.09 -0.71 -0.42 0.00 1.01 0.00 0.00 58.87 58.84 1w29 n SER 26 Cb 0.59 0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 64.31 1w29 n SER 26 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1w29 s TRP 27 N -0.55 3.06 -1.07 1.43 0.52 -0.90 -1.82 118.94 119.61 1w29 s TRP 27 Ca 0.00 0.97 -0.13 0.00 0.02 0.00 0.00 56.10 56.96 1w29 s TRP 27 Cb 0.00 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.47 1w29 s TRP 27 CO 0.00 -2.72 0.85 0.72 0.02 0.00 0.00 176.95 175.82 1w29 n HIS 28 N 2.75 -2.23 -0.32 -1.98 8.25 -1.26 -4.48 115.22 115.95 1w29 n HIS 28 Ca 0.08 0.68 0.15 0.00 -0.26 0.00 0.00 57.72 58.38 1w29 n HIS 28 Cb 0.40 -3.80 0.38 0.00 1.12 0.00 0.00 29.99 28.10 1w29 n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1w29 h GLY 29 N -1.38 1.47 0.99 -1.41 0.00 -1.73 -2.12 103.07 98.90 1w29 h GLY 29 Ca -0.61 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1w29 h GLY 29 CO 0.45 -0.03 0.22 1.70 0.00 0.00 0.00 176.54 178.88 1w29 h LYS 30 N 0.66 0.46 -0.18 4.80 3.64 -1.91 -0.49 116.57 123.55 1w29 h LYS 30 Ca 0.54 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.84 1w29 h LYS 30 Cb 0.99 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1w29 h LYS 30 CO -0.31 0.32 -0.08 0.82 -2.27 0.00 0.00 179.45 177.93 1w29 h ILE 31 N 0.46 1.31 -0.85 2.00 2.04 -1.78 -1.76 117.51 118.93 1w29 h ILE 31 Ca 0.13 -1.12 0.17 0.00 1.00 0.00 0.00 64.86 65.04 1w29 h ILE 31 Cb -0.03 1.66 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 1w29 h ILE 31 CO -0.03 0.34 0.39 0.00 0.00 0.00 0.00 178.15 178.85 1w29 h ASP 33 N 0.49 0.72 -0.52 0.00 5.19 -0.90 -2.09 116.42 119.31 1w29 h ASP 33 Ca 0.49 -0.43 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1w29 h ASP 33 Cb 0.80 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1w29 h ASP 33 CO -0.44 1.19 0.22 0.00 -3.12 0.00 0.00 179.24 177.09 1w29 h ALA 34 N 0.81 0.68 -0.93 3.45 0.00 -0.33 -1.29 119.26 121.64 1w29 h ALA 34 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1w29 h ALA 34 Cb 1.25 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1w29 h ALA 34 CO 0.13 0.28 0.61 -0.07 0.00 0.00 0.00 179.25 180.20 1w29 h LEU 35 N 0.70 1.03 -0.61 0.00 3.38 -0.95 -2.92 115.31 115.94 1w29 h LEU 35 Ca 0.18 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1w29 h LEU 35 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1w29 h LEU 35 CO -0.02 0.72 -0.59 0.25 0.09 0.00 0.00 178.44 178.90 1w29 h LEU 36 N 1.21 0.38 -0.53 1.67 5.85 -1.19 -2.31 115.31 120.39 1w29 h LEU 36 Ca 0.36 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1w29 h LEU 36 Cb -0.04 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1w29 h LEU 36 CO -0.11 0.88 0.31 -0.78 -0.34 0.00 0.00 178.44 178.41 1w29 h ASP 37 N 0.26 0.50 0.51 1.25 1.82 -1.09 -1.75 116.42 117.91 1w29 h ASP 37 Ca -0.00 0.01 -0.18 0.00 -0.39 0.00 0.00 57.03 56.46 1w29 h ASP 37 Cb 1.10 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1w29 h ASP 37 CO 0.10 0.35 -0.80 1.23 -1.61 0.00 0.00 179.24 178.51 1w29 h GLY 38 N 0.61 0.24 0.93 -0.78 0.00 -1.33 -2.59 103.07 100.17 1w29 h GLY 38 Ca 0.21 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1w29 h GLY 38 CO -0.10 0.34 0.15 0.00 0.00 0.00 0.00 176.54 176.93 1w29 h ALA 39 N 1.03 0.44 0.08 3.60 0.00 -1.25 -2.51 119.26 120.64 1w29 h ALA 39 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1w29 h ALA 39 Cb 1.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1w29 h ALA 39 CO 0.12 0.02 -0.11 0.00 0.00 0.00 0.00 179.25 179.28 1w29 h ARG 40 N 0.40 -0.22 -0.67 0.00 3.08 -1.29 -0.05 114.38 115.63 1w29 h ARG 40 Ca 0.11 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1w29 h ARG 40 Cb 0.16 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1w29 h ARG 40 CO -0.01 -0.15 0.40 0.87 -1.07 0.00 0.00 179.97 180.00 1w29 h LYS 41 N -0.23 0.73 -0.07 0.04 1.57 -1.54 0.29 116.57 117.35 1w29 h LYS 41 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1w29 h LYS 41 Cb 0.24 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1w29 h LYS 41 CO -0.06 0.48 0.05 0.28 -0.57 0.00 0.00 179.45 179.64 1w29 h VAL 42 N 0.75 1.03 -0.47 0.50 2.07 -1.29 -1.80 116.25 117.05 1w29 h VAL 42 Ca 0.28 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1w29 h VAL 42 Cb 0.09 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1w29 h VAL 42 CO -0.14 0.03 0.24 0.00 0.02 0.00 0.00 177.57 177.71 1w29 h ALA 43 N 1.01 0.59 -0.07 1.67 0.00 -0.22 -2.62 119.26 119.62 1w29 h ALA 43 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1w29 h ALA 43 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1w29 h ALA 43 CO -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 179.25 178.83 1w29 h ALA 44 N 1.25 1.37 0.00 0.00 0.00 -0.29 -0.93 119.26 120.65 1w29 h ALA 44 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1w29 h ALA 44 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1w29 h ALA 44 CO -0.14 0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1w29 n GLY 45 N -0.54 -1.49 0.96 0.00 0.00 -0.69 -2.75 105.19 100.68 1w29 n GLY 45 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1w29 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w29 n GLY 47 N 1.38 0.47 3.30 0.00 0.00 -1.11 -3.47 105.19 105.75 1w29 n GLY 47 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1w29 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w29 s LEU 48 N 0.00 6.53 0.32 0.99 1.43 -0.42 -4.87 118.68 122.65 1w29 s LEU 48 Ca 0.00 -2.82 0.24 0.00 -1.03 0.00 0.00 54.13 50.52 1w29 s LEU 48 Cb 0.00 -2.16 0.36 0.00 0.03 0.00 0.00 46.19 44.42 1w29 s LEU 48 CO 0.00 -0.51 1.50 0.44 0.23 0.00 0.00 176.35 178.01 1w29 h ASP 49 N 7.55 0.00 -2.06 2.29 5.19 -1.86 -3.08 116.42 124.45 1w29 h ASP 49 Ca 0.10 -0.02 -0.55 0.00 -0.62 0.00 0.00 57.03 55.94 1w29 h ASP 49 Cb 1.01 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.12 1w29 h ASP 49 CO 0.77 0.01 -1.00 -0.67 -3.12 0.00 0.00 179.24 175.23 1w29 n ASP 50 N -2.76 1.31 -4.77 6.45 -0.08 -1.26 -4.98 116.55 110.47 1w29 n ASP 50 Ca 0.03 -2.98 -0.37 0.00 -1.51 0.00 0.00 54.79 49.97 1w29 n ASP 50 Cb 0.51 -0.64 -0.01 0.00 2.34 0.00 0.00 41.12 43.33 1w29 n ASP 50 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1w29 s PRO 51 N -1.87 3.72 -0.19 -0.67 0.04 -1.26 -4.96 135.00 129.81 1w29 s PRO 51 Ca 0.38 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 1w29 s PRO 51 Cb 0.21 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1w29 s PRO 51 CO -0.09 -0.60 1.63 0.99 0.04 0.00 0.00 177.00 178.98 1w29 s THR 52 N -1.51 3.67 -0.16 1.26 2.01 -0.60 -4.92 115.64 115.39 1w29 s THR 52 Ca 0.64 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 63.39 1w29 s THR 52 Cb -0.30 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1w29 s THR 52 CO 0.36 -0.24 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.24 1w29 s VAL 53 N 5.05 2.98 0.00 3.82 1.01 -1.26 0.18 120.40 132.19 1w29 s VAL 53 Ca 0.72 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1w29 s VAL 53 Cb -0.26 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1w29 s VAL 53 CO 0.29 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 175.02 1w29 s VAL 54 N 0.76 1.45 -0.02 2.92 1.01 0.45 -4.99 120.40 121.98 1w29 s VAL 54 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1w29 s VAL 54 Cb -0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1w29 s VAL 54 CO 0.01 0.33 -0.08 -0.13 0.00 0.00 0.00 175.10 175.23 1w29 s ARG 55 N -0.65 2.58 0.30 2.72 1.81 -1.26 -0.97 118.95 123.48 1w29 s ARG 55 Ca 0.07 -0.68 0.06 0.00 -1.72 0.00 0.00 55.73 53.45 1w29 s ARG 55 Cb -0.07 -2.50 -0.06 0.00 -0.45 0.00 0.00 34.95 31.86 1w29 s ARG 55 CO 0.00 0.62 -0.02 0.14 -0.68 0.00 0.00 175.30 175.36 1w29 s VAL 56 N -0.92 1.54 -0.04 3.52 -7.23 -0.88 -4.95 120.40 111.43 1w29 s VAL 56 Ca 0.15 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1w29 s VAL 56 Cb -0.11 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1w29 s VAL 56 CO 0.05 -0.20 0.39 0.25 -0.31 0.00 0.00 175.10 175.28 1w29 h LEU 57 N 2.20 -0.23 -9.50 1.32 5.85 -1.93 -1.20 115.31 111.83 1w29 h LEU 57 Ca -0.40 0.01 -0.59 0.00 0.84 0.00 0.00 57.88 57.74 1w29 h LEU 57 Cb 1.24 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 42.19 1w29 h LEU 57 CO 0.69 0.10 -0.62 -0.83 -0.34 0.00 0.00 178.44 177.44 1w29 s GLY 58 N -2.76 2.32 0.49 3.75 0.00 -1.26 -1.31 107.32 108.55 1w29 s GLY 58 Ca -0.04 -2.19 0.18 0.00 0.00 0.00 0.00 44.72 42.67 1w29 s GLY 58 CO 0.12 -2.02 2.02 0.00 0.00 0.00 0.00 173.10 173.22 1w29 h ALA 59 N 1.92 2.19 0.00 3.20 0.00 -1.92 -1.46 119.26 123.19 1w29 h ALA 59 Ca -0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1w29 h ALA 59 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1w29 h ALA 59 CO 0.76 -0.31 -0.13 0.82 0.00 0.00 0.00 179.25 180.39 1w29 h ILE 60 N 0.18 0.86 0.00 0.00 1.08 -1.97 -1.91 117.51 115.76 1w29 h ILE 60 Ca 0.21 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1w29 h ILE 60 Cb 0.61 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1w29 h ILE 60 CO -0.03 0.13 -0.01 -0.62 -0.69 0.00 0.00 178.15 176.93 1w29 n GLU 61 N -4.05 0.19 0.05 2.37 4.71 -0.55 -4.21 120.64 119.16 1w29 n GLU 61 Ca -0.02 0.16 -0.12 0.00 -0.01 0.00 0.00 57.16 57.16 1w29 n GLU 61 Cb 0.22 -1.72 -0.07 0.00 -1.01 0.00 0.00 31.44 28.85 1w29 n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1w29 h ILE 62 N 0.00 0.99 -0.31 -3.67 2.04 -1.40 -3.18 117.51 112.00 1w29 h ILE 62 Ca 0.00 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1w29 h ILE 62 Cb 0.67 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1w29 h ILE 62 CO 0.00 0.02 -0.02 -0.65 0.00 0.00 0.00 178.15 177.50 1w29 h PRO 63 N -0.07 0.06 -0.29 2.37 0.11 -1.76 0.20 132.00 132.62 1w29 h PRO 63 Ca -0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1w29 h PRO 63 Cb 0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1w29 h PRO 63 CO 0.01 0.04 0.12 -0.24 -0.21 0.00 0.00 178.00 177.72 1w29 h VAL 64 N 0.06 1.12 -0.02 3.15 3.04 -1.84 0.25 116.25 122.01 1w29 h VAL 64 Ca 0.15 -0.35 -0.23 0.00 -1.01 0.00 0.00 66.70 65.25 1w29 h VAL 64 Cb 0.21 0.77 0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1w29 h VAL 64 CO -0.27 0.14 -0.94 0.58 -1.01 0.00 0.00 177.57 176.07 1w29 h VAL 65 N 0.41 1.36 -0.60 1.51 2.07 -1.33 -2.92 116.25 116.75 1w29 h VAL 65 Ca 0.10 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 1w29 h VAL 65 Cb 0.08 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1w29 h VAL 65 CO -0.01 0.71 0.28 0.00 0.02 0.00 0.00 177.57 178.57 1w29 h ALA 66 N 0.67 1.37 -0.46 1.67 0.00 0.46 -1.79 119.26 121.18 1w29 h ALA 66 Ca -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1w29 h ALA 66 Cb 1.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1w29 h ALA 66 CO 0.17 0.49 0.17 0.37 0.00 0.00 0.00 179.25 180.45 1w29 h GLN 67 N 0.85 0.70 -0.43 0.00 4.15 -0.53 -1.66 115.11 118.18 1w29 h GLN 67 Ca 0.21 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1w29 h GLN 67 Cb 0.10 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1w29 h GLN 67 CO -0.03 0.65 0.17 1.49 -1.93 0.00 0.00 178.83 179.19 1w29 h GLU 68 N 0.60 0.65 0.00 1.69 4.57 -1.29 -2.91 114.58 117.89 1w29 h GLU 68 Ca 0.15 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1w29 h GLU 68 Cb 0.22 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1w29 h GLU 68 CO -0.01 0.60 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.18 1w29 h LEU 69 N 0.56 0.00 0.00 1.64 3.38 -1.13 -2.75 115.31 117.01 1w29 h LEU 69 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1w29 h LEU 69 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1w29 h LEU 69 CO -0.01 0.17 -0.16 0.00 0.09 0.00 0.00 178.44 178.53 1w29 n ALA 70 N -2.36 2.52 -0.23 1.53 0.00 -0.64 -2.26 120.51 119.07 1w29 n ALA 70 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1w29 n ALA 70 Cb 0.27 -1.38 0.27 0.00 0.00 0.00 0.00 19.45 18.60 1w29 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w29 h ARG 71 N 0.00 0.94 -0.50 0.00 3.08 -1.44 -3.33 114.38 113.13 1w29 h ARG 71 Ca 0.00 -0.06 -0.28 0.00 0.07 0.00 0.00 59.98 59.71 1w29 h ARG 71 Cb 0.66 -0.21 -0.40 0.00 0.08 0.00 0.00 29.97 30.10 1w29 h ARG 71 CO 0.00 0.62 -1.09 0.27 -1.07 0.00 0.00 179.97 178.71 1w29 n ASN 72 N -4.45 1.98 -4.13 7.04 6.94 -1.11 -5.06 115.26 116.47 1w29 n ASN 72 Ca 0.10 -2.26 -0.12 0.00 -0.02 0.00 0.00 54.58 52.28 1w29 n ASN 72 Cb 0.10 -0.47 -0.11 0.00 -2.36 0.00 0.00 39.78 36.95 1w29 n ASN 72 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1w29 s HIS 73 N -3.76 0.82 -0.11 -2.53 3.76 -0.96 -4.99 115.29 107.53 1w29 s HIS 73 Ca 0.30 -0.71 0.25 0.00 -0.15 0.00 0.00 55.06 54.74 1w29 s HIS 73 Cb 0.34 -0.48 0.70 0.00 1.11 0.00 0.00 32.58 34.25 1w29 s HIS 73 CO -0.03 -0.10 1.73 -0.44 -0.85 0.00 0.00 174.74 175.05 1w29 h ASP 74 N 3.66 0.00 -4.73 1.40 3.32 -1.10 -3.44 116.42 115.54 1w29 h ASP 74 Ca -0.36 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.72 1w29 h ASP 74 Cb 1.18 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 1w29 h ASP 74 CO 0.53 0.14 0.35 0.00 -1.72 0.00 0.00 179.24 178.54 1w29 s ALA 75 N -3.40 -1.77 -0.04 3.45 0.00 -1.12 -4.20 121.76 114.68 1w29 s ALA 75 Ca 0.03 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1w29 s ALA 75 Cb 0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1w29 s ALA 75 CO 0.64 -0.54 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 1w29 s VAL 76 N -2.34 1.01 -0.19 0.00 1.01 -1.03 -1.57 120.40 117.30 1w29 s VAL 76 Ca -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1w29 s VAL 76 Cb -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1w29 s VAL 76 CO -0.03 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 174.65 1w29 s VAL 77 N 0.26 3.55 -0.36 2.92 1.01 0.06 -1.70 120.40 126.14 1w29 s VAL 77 Ca -0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1w29 s VAL 77 Cb -0.11 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1w29 s VAL 77 CO 0.01 0.45 0.27 0.00 0.00 0.00 0.00 175.10 175.83 1w29 s ALA 78 N 1.03 3.50 0.10 5.51 0.00 -0.23 -1.07 121.76 130.60 1w29 s ALA 78 Ca 0.01 -1.47 0.10 0.00 0.00 0.00 0.00 51.96 50.60 1w29 s ALA 78 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1w29 s ALA 78 CO 0.00 -1.12 -0.26 -0.51 0.00 0.00 0.00 175.76 173.87 1w29 s LEU 79 N 1.73 2.32 0.00 0.00 1.43 0.23 -1.30 118.68 123.09 1w29 s LEU 79 Ca 0.06 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1w29 s LEU 79 Cb -0.18 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1w29 s LEU 79 CO 0.10 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1w29 n GLY 80 N 1.14 -1.62 2.68 -3.19 0.00 -1.09 -1.95 105.19 101.16 1w29 n GLY 80 Ca -0.17 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 1w29 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w29 s VAL 81 N -2.24 -0.04 -0.10 1.61 1.01 -1.26 -0.29 120.40 119.09 1w29 s VAL 81 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1w29 s VAL 81 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1w29 s VAL 81 CO 0.00 0.14 -0.18 -0.69 0.00 0.00 0.00 175.10 174.37 1w29 s VAL 82 N 2.14 2.66 -0.10 2.92 1.01 0.12 -4.78 120.40 124.37 1w29 s VAL 82 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1w29 s VAL 82 Cb -0.13 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1w29 s VAL 82 CO -0.04 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 174.88 1w29 s ILE 83 N 0.07 1.12 -0.03 2.22 1.01 -1.26 -2.32 121.20 122.01 1w29 s ILE 83 Ca -0.07 -0.38 -0.38 0.00 0.00 0.00 0.00 60.65 59.82 1w29 s ILE 83 Cb -0.15 -1.10 -0.16 0.00 0.01 0.00 0.00 42.46 41.06 1w29 s ILE 83 CO 0.05 0.38 1.50 -1.14 0.00 0.00 0.00 174.94 175.72 1w29 n ARG 84 N 4.60 1.24 0.00 2.79 0.63 -0.66 -4.97 116.66 120.29 1w29 n ARG 84 Ca -0.16 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 1w29 n ARG 84 Cb 0.50 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1w29 n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1w29 n GLY 85 N 3.15 2.43 0.02 5.14 0.00 -1.26 -4.80 105.19 109.86 1w29 n GLY 85 Ca 0.21 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1w29 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w29 n GLN 86 N 0.00 0.16 -4.63 1.61 6.02 -1.26 -4.96 117.38 114.32 1w29 n GLN 86 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1w29 n GLN 86 Cb 0.00 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 29.61 1w29 n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1w29 s THR 87 N -3.11 1.31 -1.67 5.09 -4.23 -1.26 -5.03 115.64 106.74 1w29 s THR 87 Ca 0.07 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.75 1w29 s THR 87 Cb 0.15 -2.55 0.39 0.00 1.34 0.00 0.00 72.50 71.84 1w29 s THR 87 CO 0.78 0.00 1.49 -2.65 -0.54 0.00 0.00 174.62 173.70 1w29 n PRO 88 N -1.02 0.38 -0.13 3.99 -0.02 -1.26 -4.04 135.00 132.90 1w29 n PRO 88 Ca -0.10 0.07 0.23 0.00 -2.02 0.00 0.00 63.50 61.69 1w29 n PRO 88 Cb 0.67 -1.50 0.67 0.00 -0.02 0.00 0.00 33.50 33.31 1w29 n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1w29 h HIS 89 N 0.00 0.11 -0.33 6.00 2.76 -1.97 -1.13 115.15 120.59 1w29 h HIS 89 Ca 0.00 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1w29 h HIS 89 Cb 0.09 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1w29 h HIS 89 CO 0.00 0.03 0.16 0.35 -1.30 0.00 0.00 177.93 177.17 1w29 h PHE 90 N 0.09 0.29 -0.66 5.26 3.57 -1.94 -0.15 116.94 123.40 1w29 h PHE 90 Ca 0.37 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.91 1w29 h PHE 90 Cb 1.34 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1w29 h PHE 90 CO -0.00 0.15 0.40 -0.44 -2.23 0.00 0.00 178.31 176.19 1w29 h ASP 91 N 0.33 0.65 0.00 0.41 3.32 -1.51 -1.20 116.42 118.42 1w29 h ASP 91 Ca 0.14 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 1w29 h ASP 91 Cb 0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1w29 h ASP 91 CO -0.10 0.45 -0.69 1.88 -1.72 0.00 0.00 179.24 179.06 1w29 h TYR 92 N 0.78 0.83 -0.36 4.55 0.05 -1.47 -0.76 116.97 120.60 1w29 h TYR 92 Ca 0.27 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1w29 h TYR 92 Cb 0.04 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1w29 h TYR 92 CO -0.05 1.13 0.22 0.28 -1.05 0.00 0.00 178.16 178.69 1w29 h VAL 93 N 0.45 1.05 -0.68 -2.88 2.07 -0.87 -1.79 116.25 113.61 1w29 h VAL 93 Ca -0.03 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1w29 h VAL 93 Cb 1.28 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1w29 h VAL 93 CO 0.13 0.08 0.20 0.00 0.02 0.00 0.00 177.57 178.00 1w29 h ASP 95 N 1.00 0.56 -0.19 0.00 3.32 -0.87 -2.04 116.42 118.20 1w29 h ASP 95 Ca 0.22 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1w29 h ASP 95 Cb 0.30 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1w29 h ASP 95 CO -0.01 0.40 -0.06 0.00 -1.72 0.00 0.00 179.24 177.85 1w29 h ALA 96 N 1.23 0.26 -0.38 3.45 0.00 -1.14 -0.75 119.26 121.93 1w29 h ALA 96 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1w29 h ALA 96 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1w29 h ALA 96 CO -0.08 0.05 0.23 0.28 0.00 0.00 0.00 179.25 179.73 1w29 h VAL 97 N 0.08 1.12 -0.74 0.00 2.07 -1.42 -1.26 116.25 116.10 1w29 h VAL 97 Ca 0.05 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1w29 h VAL 97 Cb 0.52 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1w29 h VAL 97 CO 0.02 0.12 0.45 0.74 0.02 0.00 0.00 177.57 178.92 1w29 h THR 98 N 0.49 1.02 -0.09 2.57 2.02 -1.22 -1.61 112.91 116.09 1w29 h THR 98 Ca 0.14 -0.28 -0.23 0.00 0.77 0.00 0.00 66.41 66.80 1w29 h THR 98 Cb -0.01 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1w29 h THR 98 CO -0.03 0.15 -0.85 1.56 0.37 0.00 0.00 175.52 176.72 1w29 h GLN 99 N 0.83 0.69 -0.11 6.66 4.20 -1.00 -2.98 115.11 123.40 1w29 h GLN 99 Ca 0.32 -0.62 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1w29 h GLN 99 Cb 0.14 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1w29 h GLN 99 CO -0.16 1.22 -0.07 0.78 -0.67 0.00 0.00 178.83 179.93 1w29 h GLY 100 N 0.68 0.25 0.99 3.46 0.00 -1.07 -2.66 103.07 104.72 1w29 h GLY 100 Ca -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1w29 h GLY 100 CO 0.17 0.22 0.59 1.41 0.00 0.00 0.00 176.54 178.92 1w29 h LEU 101 N -0.14 1.01 0.11 3.11 3.38 -1.37 0.13 115.31 121.54 1w29 h LEU 101 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1w29 h LEU 101 Cb 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1w29 h LEU 101 CO 0.02 0.72 -0.05 0.74 0.09 0.00 0.00 178.44 179.96 1w29 h THR 102 N 1.19 1.06 -0.52 0.22 2.02 -1.59 -1.24 112.91 114.04 1w29 h THR 102 Ca 0.33 -0.69 0.07 0.00 0.77 0.00 0.00 66.41 66.90 1w29 h THR 102 Cb -0.12 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 1w29 h THR 102 CO -0.08 0.17 0.18 -0.09 0.37 0.00 0.00 175.52 176.07 1w29 h ARG 103 N -0.47 0.35 -0.38 6.66 2.43 -1.37 -2.46 114.38 119.13 1w29 h ARG 103 Ca -0.02 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1w29 h ARG 103 Cb 0.39 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1w29 h ARG 103 CO 0.03 0.23 0.03 0.28 -1.51 0.00 0.00 179.97 179.02 1w29 h VAL 104 N 0.36 1.20 -0.42 0.20 2.07 -0.59 -1.68 116.25 117.39 1w29 h VAL 104 Ca 0.26 -0.80 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1w29 h VAL 104 Cb 0.29 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1w29 h VAL 104 CO -0.26 0.28 -0.22 0.77 0.02 0.00 0.00 177.57 178.15 1w29 h SER 105 N 0.57 0.87 0.27 0.57 4.64 -0.98 -2.55 113.55 116.95 1w29 h SER 105 Ca 0.12 -0.32 -0.34 0.00 -0.47 0.00 0.00 61.79 60.78 1w29 h SER 105 Cb 0.33 -0.24 0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1w29 h SER 105 CO 0.01 1.06 -1.53 -0.07 -0.87 0.00 0.00 176.83 175.44 1w29 h LEU 106 N 0.74 0.79 -0.72 5.97 3.38 -1.19 0.90 115.31 125.18 1w29 h LEU 106 Ca 0.10 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.27 1w29 h LEU 106 Cb 0.76 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1w29 h LEU 106 CO 0.06 1.71 0.36 0.44 0.09 0.00 0.00 178.44 181.10 1w29 h ASP 107 N 0.14 0.47 0.31 -0.43 3.45 -1.36 -3.02 116.42 115.97 1w29 h ASP 107 Ca -0.27 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1w29 h ASP 107 Cb 2.15 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.90 1w29 h ASP 107 CO 0.26 0.26 -0.32 -1.54 -1.57 0.00 0.00 179.24 176.33 1w29 n SER 108 N -4.86 0.86 -4.17 6.45 3.41 -0.96 -4.95 113.62 109.39 1w29 n SER 108 Ca 0.11 -0.70 -0.35 0.00 -0.26 0.00 0.00 58.87 57.67 1w29 n SER 108 Cb 0.28 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 1w29 n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1w29 n SER 109 N -0.89 -3.26 -4.10 4.04 7.64 0.21 -4.95 113.62 112.30 1w29 n SER 109 Ca 0.10 -0.99 -0.25 0.00 1.01 0.00 0.00 58.87 58.75 1w29 n SER 109 Cb 0.34 -2.90 -0.16 0.00 -1.01 0.00 0.00 64.21 60.49 1w29 n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1w29 s THR 110 N -3.34 1.28 0.22 0.44 2.01 -0.58 -5.03 115.64 110.65 1w29 s THR 110 Ca 0.68 -0.63 -0.31 0.00 0.31 0.00 0.00 61.69 61.74 1w29 s THR 110 Cb -0.37 -1.11 -0.10 0.00 0.01 0.00 0.00 72.50 70.92 1w29 s THR 110 CO 0.92 0.38 1.55 -2.84 -0.69 0.00 0.00 174.62 173.93 1w29 s PRO 111 N 0.12 4.20 -0.39 4.92 0.02 -1.26 -4.37 135.00 138.24 1w29 s PRO 111 Ca -0.05 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.41 1w29 s PRO 111 Cb -0.11 -3.10 0.11 0.00 0.02 0.00 0.00 34.50 31.41 1w29 s PRO 111 CO 0.02 -0.56 0.13 0.42 -0.33 0.00 0.00 177.00 176.68 1w29 s ILE 112 N 0.53 2.05 0.08 2.83 -1.09 -1.26 -2.45 121.20 121.90 1w29 s ILE 112 Ca 0.66 -2.48 -0.31 0.00 -2.23 0.00 0.00 60.65 56.29 1w29 s ILE 112 Cb -0.45 -2.49 -0.07 0.00 -1.58 0.00 0.00 42.46 37.87 1w29 s ILE 112 CO 0.39 -0.69 1.40 0.00 -1.23 0.00 0.00 174.94 174.80 1w29 s ALA 113 N 0.64 3.58 -0.59 9.38 0.00 -0.69 -4.90 121.76 129.19 1w29 s ALA 113 Ca 0.13 1.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 1w29 s ALA 113 Cb -0.21 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.45 1w29 s ALA 113 CO -0.08 -0.70 0.72 1.21 0.00 0.00 0.00 175.76 176.92 1w29 s ASN 114 N 1.36 6.19 -0.47 0.00 3.04 -1.26 -1.06 114.94 122.73 1w29 s ASN 114 Ca 0.65 -1.29 0.04 0.00 0.04 0.00 0.00 52.86 52.29 1w29 s ASN 114 Cb -0.35 -2.31 0.42 0.00 -1.54 0.00 0.00 41.25 37.47 1w29 s ASN 114 CO 0.29 -1.12 1.33 0.61 -3.04 0.00 0.00 177.10 175.18 1w29 n GLY 115 N 5.27 6.04 3.48 1.21 0.00 -0.42 -4.86 105.19 115.91 1w29 n GLY 115 Ca -0.08 -2.67 -0.43 0.00 0.00 0.00 0.00 46.02 42.84 1w29 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w29 s VAL 116 N -5.16 4.97 0.31 1.61 1.01 -1.24 -2.67 120.40 119.23 1w29 s VAL 116 Ca 0.51 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1w29 s VAL 116 Cb 0.42 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1w29 s VAL 116 CO -0.15 -0.56 1.24 -0.76 0.00 0.00 0.00 175.10 174.87 1w29 s LEU 117 N 2.43 4.47 -0.30 3.92 1.43 0.60 -4.90 118.68 126.32 1w29 s LEU 117 Ca 0.16 2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 55.78 1w29 s LEU 117 Cb -0.17 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.51 1w29 s LEU 117 CO 0.15 -0.40 0.10 0.42 0.23 0.00 0.00 176.35 176.85 1w29 s THR 118 N -1.10 0.73 0.21 5.49 -4.23 -1.26 0.13 115.64 115.62 1w29 s THR 118 Ca 0.48 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.79 1w29 s THR 118 Cb -0.37 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 1w29 s THR 118 CO 0.48 -0.67 -0.16 0.42 -0.54 0.00 0.00 174.62 174.15 1w29 s THR 119 N 1.69 1.90 0.16 3.99 -4.23 -0.98 -5.03 115.64 113.14 1w29 s THR 119 Ca 0.09 -2.21 0.08 0.00 -1.18 0.00 0.00 61.69 58.47 1w29 s THR 119 Cb -0.17 -2.07 -0.16 0.00 1.34 0.00 0.00 72.50 71.44 1w29 s THR 119 CO -0.27 -0.52 1.37 0.78 -0.54 0.00 0.00 174.62 175.44 1w29 h ASN 120 N 2.60 0.00 -3.69 3.99 2.35 -1.91 -1.76 115.58 117.17 1w29 h ASN 120 Ca -0.39 -0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 54.95 1w29 h ASN 120 Cb 1.23 -0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.45 1w29 h ASN 120 CO 0.60 0.90 -0.64 0.42 -1.65 0.00 0.00 177.43 177.06 1w29 s THR 121 N -2.95 1.06 0.17 2.81 -4.23 -1.26 -4.26 115.64 106.99 1w29 s THR 121 Ca 0.00 -2.03 0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1w29 s THR 121 Cb 0.11 -2.54 -0.13 0.00 1.34 0.00 0.00 72.50 71.27 1w29 s THR 121 CO 0.81 -0.17 1.41 -0.08 -0.54 0.00 0.00 174.62 176.04 1w29 h GLU 122 N 2.33 0.00 -0.28 3.99 4.81 -1.96 -3.14 114.58 120.33 1w29 h GLU 122 Ca -0.39 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1w29 h GLU 122 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1w29 h GLU 122 CO 0.66 0.84 -0.22 1.49 -0.73 0.00 0.00 179.01 181.05 1w29 h GLU 123 N 0.00 0.52 -0.55 1.92 4.81 -1.99 -1.98 114.58 117.31 1w29 h GLU 123 Ca -0.01 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1w29 h GLU 123 Cb 1.51 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 1w29 h GLU 123 CO 0.11 0.70 0.27 1.96 -0.73 0.00 0.00 179.01 181.32 1w29 h GLN 124 N 0.46 0.78 -0.77 1.92 4.20 -1.97 -2.02 115.11 117.71 1w29 h GLN 124 Ca 0.07 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1w29 h GLN 124 Cb 0.63 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1w29 h GLN 124 CO 0.05 0.64 0.28 0.00 -0.67 0.00 0.00 178.83 179.12 1w29 h ALA 125 N 1.11 1.04 -0.33 3.87 0.00 -1.48 -2.17 119.26 121.29 1w29 h ALA 125 Ca 0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1w29 h ALA 125 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1w29 h ALA 125 CO -0.02 0.66 -0.37 -0.07 0.00 0.00 0.00 179.25 179.45 1w29 h LEU 126 N 1.13 0.80 -0.82 0.00 3.38 -1.19 -2.35 115.31 116.26 1w29 h LEU 126 Ca 0.25 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1w29 h LEU 126 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1w29 h LEU 126 CO -0.02 1.09 0.00 -0.78 0.09 0.00 0.00 178.44 178.82 1w29 h ASP 127 N 0.63 0.00 -0.22 -0.43 3.58 -1.14 -3.11 116.42 115.73 1w29 h ASP 127 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1w29 h ASP 127 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1w29 h ASP 127 CO 0.08 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.98 1w29 n ARG 128 N -2.46 1.88 -0.10 0.28 1.74 -0.84 -1.96 116.66 115.21 1w29 n ARG 128 Ca 0.02 -1.80 0.08 0.00 -0.77 0.00 0.00 57.85 55.38 1w29 n ARG 128 Cb 0.27 -1.34 0.13 0.00 -1.02 0.00 0.00 32.46 30.49 1w29 n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w29 n ALA 129 N 0.94 2.39 -1.34 7.54 0.00 -1.07 -1.10 120.51 127.86 1w29 n ALA 129 Ca 0.12 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1w29 n ALA 129 Cb 0.45 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1w29 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w29 n GLY 130 N 0.92 0.89 3.69 0.00 0.00 -0.74 -3.82 105.19 106.12 1w29 n GLY 130 Ca 0.12 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1w29 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w29 s LEU 131 N -1.89 2.01 0.51 0.99 1.43 -1.26 -4.88 118.68 115.59 1w29 s LEU 131 Ca 0.00 1.42 0.43 0.00 -1.03 0.00 0.00 54.13 54.95 1w29 s LEU 131 Cb 0.00 -3.75 1.64 0.00 0.03 0.00 0.00 46.19 44.11 1w29 s LEU 131 CO 0.00 -2.88 1.58 -0.65 0.23 0.00 0.00 176.35 174.64 1w29 h PRO 132 N -1.71 0.01 0.00 1.29 0.11 -1.96 -1.76 132.00 127.97 1w29 h PRO 132 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1w29 h PRO 132 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1w29 h PRO 132 CO 0.55 0.00 -0.03 0.25 -0.21 0.00 0.00 178.00 178.56 1w29 n THR 133 N -4.26 1.20 -2.34 -1.15 -2.24 -1.26 -5.08 114.28 99.16 1w29 n THR 133 Ca 0.42 -1.35 -0.36 0.00 -2.27 0.00 0.00 64.05 60.49 1w29 n THR 133 Cb 1.82 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 70.29 1w29 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1w29 s SER 134 N -1.65 6.17 0.13 3.42 0.01 -0.66 -4.96 113.70 116.16 1w29 s SER 134 Ca 0.12 2.18 -0.15 0.00 1.31 0.00 0.00 55.95 59.42 1w29 s SER 134 Cb 0.11 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1w29 s SER 134 CO 0.01 -0.91 1.63 0.00 0.41 0.00 0.00 173.24 174.38 1w29 h ALA 135 N 1.85 0.54 -2.60 1.44 0.00 -1.72 -3.47 119.26 115.29 1w29 h ALA 135 Ca -0.49 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 1w29 h ALA 135 Cb 1.24 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 1w29 h ALA 135 CO 0.60 0.23 -0.45 -1.83 0.00 0.00 0.00 179.25 177.79 1w29 s GLU 136 N -5.28 1.17 -0.29 0.00 -1.05 -0.99 -5.07 118.70 107.19 1w29 s GLU 136 Ca -0.13 -1.37 0.01 0.00 -0.15 0.00 0.00 54.97 53.33 1w29 s GLU 136 Cb 0.10 0.33 0.08 0.00 -0.44 0.00 0.00 34.13 34.21 1w29 s GLU 136 CO 0.77 -0.41 0.03 0.34 0.95 0.00 0.00 175.26 176.94 1w29 s ASP 137 N -3.05 4.16 0.40 0.83 -1.08 -1.25 -1.80 116.67 114.89 1w29 s ASP 137 Ca 0.25 -1.61 0.21 0.00 -0.52 0.00 0.00 52.55 50.89 1w29 s ASP 137 Cb 0.05 -1.20 0.39 0.00 -1.46 0.00 0.00 42.92 40.70 1w29 s ASP 137 CO 0.05 -0.34 1.61 0.11 0.52 0.00 0.00 175.17 177.12 1w29 h LYS 138 N 7.90 0.00 -0.27 4.34 1.57 -1.42 -2.47 116.57 126.22 1w29 h LYS 138 Ca -0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1w29 h LYS 138 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1w29 h LYS 138 CO 0.46 0.19 -0.05 0.78 -0.57 0.00 0.00 179.45 180.26 1w29 h GLY 139 N 3.48 0.55 0.79 3.86 0.00 -1.82 -0.97 103.07 108.96 1w29 h GLY 139 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1w29 h GLY 139 CO 0.02 0.41 -0.00 0.00 0.00 0.00 0.00 176.54 176.97 1w29 h ALA 140 N 0.78 0.22 -0.65 3.60 0.00 -1.71 -2.19 119.26 119.32 1w29 h ALA 140 Ca 0.07 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1w29 h ALA 140 Cb 0.52 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1w29 h ALA 140 CO 0.02 -0.06 0.28 1.96 0.00 0.00 0.00 179.25 181.45 1w29 h GLN 141 N 0.04 0.47 -0.09 0.00 4.20 -1.43 -2.18 115.11 116.12 1w29 h GLN 141 Ca 0.05 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1w29 h GLN 141 Cb 0.39 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1w29 h GLN 141 CO 0.01 0.31 -0.40 0.00 -0.67 0.00 0.00 178.83 178.08 1w29 h ALA 142 N 1.43 1.18 -0.30 3.87 0.00 -1.07 -1.46 119.26 122.90 1w29 h ALA 142 Ca 0.33 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1w29 h ALA 142 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1w29 h ALA 142 CO -0.30 0.56 -0.34 1.15 0.00 0.00 0.00 179.25 180.32 1w29 h THR 143 N 0.16 1.29 -0.64 0.00 2.02 -1.08 -2.31 112.91 112.35 1w29 h THR 143 Ca 0.01 -1.52 0.03 0.00 0.77 0.00 0.00 66.41 65.70 1w29 h THR 143 Cb 0.77 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1w29 h THR 143 CO 0.06 0.49 0.39 0.58 0.37 0.00 0.00 175.52 177.41 1w29 h VAL 144 N 0.52 1.07 -0.18 3.16 2.07 -1.08 -1.68 116.25 120.13 1w29 h VAL 144 Ca 0.04 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1w29 h VAL 144 Cb 0.93 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1w29 h VAL 144 CO 0.08 0.14 0.09 0.00 0.02 0.00 0.00 177.57 177.90 1w29 h ALA 145 N 1.28 0.21 -0.38 1.67 0.00 -1.17 -0.17 119.26 120.71 1w29 h ALA 145 Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1w29 h ALA 145 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1w29 h ALA 145 CO -0.11 -0.34 0.03 0.00 0.00 0.00 0.00 179.25 178.84 1w29 h ALA 146 N 1.09 0.50 0.08 0.00 0.00 -1.31 -0.21 119.26 119.42 1w29 h ALA 146 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1w29 h ALA 146 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1w29 h ALA 146 CO -0.05 0.24 -0.04 -0.07 0.00 0.00 0.00 179.25 179.33 1w29 h LEU 147 N 0.47 -0.10 -0.64 0.00 3.38 -1.21 -1.44 115.31 115.78 1w29 h LEU 147 Ca 0.11 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1w29 h LEU 147 Cb 0.41 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1w29 h LEU 147 CO 0.01 0.22 0.36 0.00 0.09 0.00 0.00 178.44 179.13 1w29 h ALA 148 N 0.46 0.85 -0.37 1.53 0.00 -1.01 -1.23 119.26 119.49 1w29 h ALA 148 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1w29 h ALA 148 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1w29 h ALA 148 CO 0.02 0.05 0.10 1.15 0.00 0.00 0.00 179.25 180.58 1w29 h THR 149 N 0.68 1.22 -0.80 0.00 2.02 -0.96 -1.96 112.91 113.11 1w29 h THR 149 Ca 0.28 -0.73 0.11 0.00 0.77 0.00 0.00 66.41 66.84 1w29 h THR 149 Cb 0.14 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 1w29 h THR 149 CO -0.16 0.25 0.52 0.00 0.37 0.00 0.00 175.52 176.50 1w29 h ALA 150 N 0.95 1.82 -0.10 6.16 0.00 -1.01 -0.89 119.26 126.18 1w29 h ALA 150 Ca 0.12 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1w29 h ALA 150 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1w29 h ALA 150 CO -0.00 0.00 -0.57 -0.07 0.00 0.00 0.00 179.25 178.62 1w29 h LEU 151 N 0.68 0.35 -0.34 0.00 3.38 -0.84 -2.48 115.31 116.06 1w29 h LEU 151 Ca 0.38 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1w29 h LEU 151 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1w29 h LEU 151 CO -0.15 0.84 -0.23 0.74 0.09 0.00 0.00 178.44 179.74 1w29 h THR 152 N 0.24 1.29 -0.38 0.22 2.02 -0.60 -2.96 112.91 112.74 1w29 h THR 152 Ca 0.00 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1w29 h THR 152 Cb 1.07 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1w29 h THR 152 CO 0.09 0.45 0.13 -0.07 0.37 0.00 0.00 175.52 176.49 1w29 h LEU 153 N 0.54 0.48 -0.05 2.58 3.38 -1.16 -1.86 115.31 119.23 1w29 h LEU 153 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1w29 h LEU 153 Cb 0.79 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1w29 h LEU 153 CO 0.06 0.46 0.02 -0.09 0.09 0.00 0.00 178.44 178.97 1w29 h ARG 154 N 0.53 0.04 0.00 1.13 2.43 -1.38 -0.15 114.38 116.98 1w29 h ARG 154 Ca 0.13 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1w29 h ARG 154 Cb 0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1w29 h ARG 154 CO -0.01 0.03 -0.50 1.49 -1.51 0.00 0.00 179.97 179.46 1w29 h GLU 155 N 0.04 0.00 -0.15 0.20 4.57 -1.31 -2.91 114.58 115.02 1w29 h GLU 155 Ca 0.02 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.00 1w29 h GLU 155 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1w29 h GLU 155 CO -0.02 0.50 -0.72 -0.07 -1.18 0.00 0.00 179.01 177.52 1w29 h LEU 156 N 0.00 0.79 0.00 1.64 3.38 -1.00 -3.47 115.31 116.66 1w29 h LEU 156 Ca -0.01 -0.50 -0.33 0.00 0.09 0.00 0.00 57.88 57.13 1w29 h LEU 156 Cb 0.99 -0.23 0.14 0.00 0.09 0.00 0.00 40.66 41.65 1w29 h LEU 156 CO 0.07 1.28 0.28 0.54 0.09 0.00 0.00 178.44 180.70 1w29 n ARG 157 N -3.92 -1.32 -2.30 1.13 1.74 -0.10 -4.94 116.66 106.96 1w29 n ARG 157 Ca -0.06 -1.55 -0.42 0.00 -0.77 0.00 0.00 57.85 55.04 1w29 n ARG 157 Cb 0.71 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 1w29 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w29 s ALA 158 N -3.80 3.61 0.26 7.54 0.00 -1.26 -4.99 121.76 123.13 1w29 s ALA 158 Ca 0.58 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 1w29 s ALA 158 Cb -0.02 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1w29 s ALA 158 CO 0.41 -1.09 0.79 -3.38 0.00 0.00 0.00 175.76 172.50 1w29 s HIS 159 N 3.13 -0.12 0.00 0.00 -3.43 -1.26 -5.13 115.29 108.48 1w29 s HIS 159 Ca 0.61 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1w29 s HIS 159 Cb -0.27 0.71 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 1w29 s HIS 159 CO 0.21 -1.19 0.20 -1.13 -2.00 0.00 0.00 174.74 170.84