#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 1.06 0.00 4.64 -1.87 -3.07 113.55 114.31 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 1.23 -0.87 0.00 0.00 176.83 177.19 1w29 h GLY 17 N 0.00 0.00 -2.69 -0.77 0.00 -1.93 -3.42 103.07 94.25 1w29 h GLY 17 Ca 0.13 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.99 1w29 h GLY 17 CO -0.00 0.00 0.23 -1.34 0.00 0.00 0.00 176.54 175.43 1w29 s VAL 18 N -3.63 4.48 -0.29 4.60 -7.23 -1.16 -5.02 120.40 112.14 1w29 s VAL 18 Ca 0.02 1.35 -0.08 0.00 -1.81 0.00 0.00 61.98 61.45 1w29 s VAL 18 Cb 0.09 -3.70 -0.00 0.00 0.56 0.00 0.00 36.38 33.32 1w29 s VAL 18 CO 0.54 -0.13 0.10 -0.13 -0.31 0.00 0.00 175.10 175.17 1w29 s ARG 19 N -2.77 3.26 -0.06 4.82 0.52 -1.26 -4.88 118.95 118.57 1w29 s ARG 19 Ca 0.55 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1w29 s ARG 19 Cb -0.12 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 1w29 s ARG 19 CO 0.17 -0.39 -0.19 -1.17 0.02 0.00 0.00 175.30 173.74 1w29 s LEU 20 N 1.55 1.92 0.07 2.53 2.96 -1.26 -1.76 118.68 124.69 1w29 s LEU 20 Ca 0.04 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1w29 s LEU 20 Cb -0.17 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1w29 s LEU 20 CO 0.04 0.14 -0.17 0.00 -1.32 0.00 0.00 176.35 175.04 1w29 s ALA 21 N 0.20 2.68 -0.09 5.97 0.00 -0.60 -1.12 121.76 128.79 1w29 s ALA 21 Ca -0.09 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.64 1w29 s ALA 21 Cb -0.14 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1w29 s ALA 21 CO 0.04 0.59 -0.13 0.42 0.00 0.00 0.00 175.76 176.68 1w29 s ILE 22 N -1.03 1.28 -0.21 0.00 1.01 0.93 -1.25 121.20 121.92 1w29 s ILE 22 Ca 0.16 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1w29 s ILE 22 Cb -0.11 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1w29 s ILE 22 CO 0.08 0.39 -0.11 0.54 0.00 0.00 0.00 174.94 175.84 1w29 s VAL 23 N 0.91 2.71 -0.12 2.92 0.11 0.35 -1.51 120.40 125.78 1w29 s VAL 23 Ca -0.09 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 1w29 s VAL 23 Cb -0.15 -2.26 -0.00 0.00 -1.53 0.00 0.00 36.38 32.44 1w29 s VAL 23 CO 0.00 0.39 -0.19 0.00 -3.33 0.00 0.00 175.10 171.97 1w29 s ALA 24 N 1.35 2.37 0.86 1.54 0.00 -0.86 -0.51 121.76 126.51 1w29 s ALA 24 Ca 0.03 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1w29 s ALA 24 Cb -0.15 -1.03 0.11 0.00 0.00 0.00 0.00 23.12 22.06 1w29 s ALA 24 CO -0.07 0.17 1.19 -1.54 0.00 0.00 0.00 175.76 175.52 1w29 s SER 25 N 0.50 4.07 0.00 0.00 1.04 0.12 -0.83 113.70 118.59 1w29 s SER 25 Ca -0.13 0.73 0.05 0.00 0.48 0.00 0.00 55.95 57.09 1w29 s SER 25 Cb -0.17 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.74 1w29 s SER 25 CO 0.05 -2.17 0.28 -1.20 0.98 0.00 0.00 173.24 171.18 1w29 n SER 26 N -3.48 0.41 -4.74 7.02 7.64 0.36 -4.73 113.62 116.09 1w29 n SER 26 Ca 0.09 -0.70 -0.42 0.00 1.01 0.00 0.00 58.87 58.85 1w29 n SER 26 Cb 0.60 0.87 -0.02 0.00 -1.01 0.00 0.00 64.21 64.66 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 -1.38 2.85 -0.75 1.43 0.52 -1.01 -2.12 118.94 118.49 1w29 s TRP 27 Ca 0.03 0.68 -0.04 0.00 0.02 0.00 0.00 56.10 56.79 1w29 s TRP 27 Cb 0.04 -4.05 0.01 0.00 -1.15 0.00 0.00 33.47 28.32 1w29 s TRP 27 CO 0.20 -3.66 0.64 0.72 0.02 0.00 0.00 176.95 174.87 1w29 n HIS 28 N 2.85 -2.51 0.24 -1.98 8.25 -1.26 -4.47 115.22 116.33 1w29 n HIS 28 Ca 0.11 1.00 0.10 0.00 -0.26 0.00 0.00 57.72 58.66 1w29 n HIS 28 Cb 0.37 -3.27 0.57 0.00 1.12 0.00 0.00 29.99 28.79 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 0.28 0.00 1.04 -1.41 0.00 -1.80 -0.55 103.07 100.63 1w29 h GLY 29 Ca -0.36 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1w29 h GLY 29 CO 0.32 0.00 0.08 1.70 0.00 0.00 0.00 176.54 178.64 1w29 h LYS 30 N 0.00 0.99 -0.03 4.80 3.64 -1.91 -1.40 116.57 122.65 1w29 h LYS 30 Ca -0.00 -0.28 -0.24 0.00 -1.27 0.00 0.00 60.65 58.86 1w29 h LYS 30 Cb 0.53 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1w29 h LYS 30 CO 0.03 0.95 -0.92 0.82 -2.27 0.00 0.00 179.45 178.05 1w29 h ILE 31 N 0.89 1.30 -0.29 2.00 2.04 -1.80 -2.84 117.51 118.81 1w29 h ILE 31 Ca 0.18 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.88 1w29 h ILE 31 Cb 0.45 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1w29 h ILE 31 CO 0.02 0.67 0.16 0.00 0.00 0.00 0.00 178.15 178.99 1w29 h ASP 33 N 0.40 0.27 -0.05 0.00 3.32 -1.19 -2.62 116.42 116.55 1w29 h ASP 33 Ca 0.11 -0.16 -0.24 0.00 0.02 0.00 0.00 57.03 56.75 1w29 h ASP 33 Cb 0.01 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 39.50 1w29 h ASP 33 CO -0.02 0.82 -0.92 0.00 -1.72 0.00 0.00 179.24 177.40 1w29 h ALA 34 N 1.18 0.18 -0.99 3.45 0.00 -1.25 -2.02 119.26 119.81 1w29 h ALA 34 Ca -0.01 -0.65 0.18 0.00 0.00 0.00 0.00 54.91 54.43 1w29 h ALA 34 Cb 1.13 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1w29 h ALA 34 CO 0.10 0.65 0.60 -0.07 0.00 0.00 0.00 179.25 180.53 1w29 h LEU 35 N 0.41 0.77 0.07 0.00 3.38 -1.52 -1.02 115.31 117.39 1w29 h LEU 35 Ca -0.10 0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1w29 h LEU 35 Cb 1.57 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 42.30 1w29 h LEU 35 CO 0.18 0.29 -0.95 0.25 0.09 0.00 0.00 178.44 178.30 1w29 h LEU 36 N 0.77 0.72 -0.57 1.67 5.85 -1.45 -0.60 115.31 121.70 1w29 h LEU 36 Ca 0.56 -0.81 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1w29 h LEU 36 Cb 0.85 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1w29 h LEU 36 CO -0.37 1.45 0.24 -0.78 -0.34 0.00 0.00 178.44 178.64 1w29 h ASP 37 N 0.09 0.29 0.21 1.25 -0.00 -1.17 -1.65 116.42 115.43 1w29 h ASP 37 Ca -0.14 0.06 -0.07 0.00 -0.00 0.00 0.00 57.03 56.88 1w29 h ASP 37 Cb 1.66 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.99 1w29 h ASP 37 CO 0.18 0.19 -0.28 1.23 -0.00 0.00 0.00 179.24 180.57 1w29 h GLY 38 N 0.45 0.12 1.38 -0.78 0.00 -1.17 -1.35 103.07 101.72 1w29 h GLY 38 Ca 0.27 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 1w29 h GLY 38 CO -0.24 0.08 -0.35 0.00 0.00 0.00 0.00 176.54 176.03 1w29 h ALA 39 N 1.62 0.80 0.05 3.60 0.00 -0.32 -3.00 119.26 122.01 1w29 h ALA 39 Ca 0.02 -0.42 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1w29 h ALA 39 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1w29 h ALA 39 CO 0.04 0.65 -1.09 0.00 0.00 0.00 0.00 179.25 178.85 1w29 h ARG 40 N 0.58 0.12 0.13 0.00 3.08 -1.11 -1.44 114.38 115.73 1w29 h ARG 40 Ca 0.06 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1w29 h ARG 40 Cb 0.88 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1w29 h ARG 40 CO 0.08 1.08 -0.17 0.87 -1.07 0.00 0.00 179.97 180.75 1w29 h LYS 41 N 0.03 -0.34 -0.67 0.04 1.57 -1.31 0.31 116.57 116.20 1w29 h LYS 41 Ca -0.06 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1w29 h LYS 41 Cb 1.83 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 34.19 1w29 h LYS 41 CO 0.16 -0.23 0.40 0.28 -0.57 0.00 0.00 179.45 179.49 1w29 h VAL 42 N -0.36 1.19 -0.45 0.50 2.07 -1.45 0.16 116.25 117.92 1w29 h VAL 42 Ca 0.01 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1w29 h VAL 42 Cb 0.36 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1w29 h VAL 42 CO -0.07 0.20 0.16 0.00 0.02 0.00 0.00 177.57 177.88 1w29 h ALA 43 N 1.21 0.58 -0.54 1.67 0.00 -1.14 -2.39 119.26 118.65 1w29 h ALA 43 Ca 0.24 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1w29 h ALA 43 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1w29 h ALA 43 CO -0.04 0.21 -0.03 0.00 0.00 0.00 0.00 179.25 179.38 1w29 h ALA 44 N 1.01 0.93 0.00 0.00 0.00 -0.51 -2.19 119.26 118.50 1w29 h ALA 44 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1w29 h ALA 44 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1w29 h ALA 44 CO -0.01 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1w29 n GLY 45 N -0.47 -1.09 1.57 0.00 0.00 0.01 -1.25 105.19 103.96 1w29 n GLY 45 Ca 0.02 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.34 0.69 3.68 0.00 0.00 -0.38 -3.68 105.19 105.84 1w29 n GLY 47 Ca 0.26 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.34 4.31 -0.40 0.99 1.43 -0.95 -4.78 118.68 116.94 1w29 s LEU 48 Ca 0.00 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.01 1w29 s LEU 48 Cb 0.00 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.55 1w29 s LEU 48 CO 0.00 -0.77 1.33 -0.67 0.23 0.00 0.00 176.35 176.46 1w29 n ASP 49 N 5.80 0.30 0.00 2.29 4.64 -1.26 -4.67 116.55 123.65 1w29 n ASP 49 Ca 0.14 0.25 0.00 0.00 -1.38 0.00 0.00 54.79 53.81 1w29 n ASP 49 Cb 0.43 -0.50 0.00 0.00 -1.04 0.00 0.00 41.12 40.01 1w29 n ASP 49 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1w29 n ASP 50 N 4.90 0.00 -4.76 1.67 -0.08 -1.26 -4.84 116.55 112.18 1w29 n ASP 50 Ca 0.33 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.28 1w29 n ASP 50 Cb -0.01 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.50 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 0.00 2.77 -0.25 -0.67 0.04 -1.26 -4.96 135.00 130.67 1w29 s PRO 51 Ca 0.00 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1w29 s PRO 51 Cb 0.00 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1w29 s PRO 51 CO 0.00 -1.28 1.27 0.99 0.04 0.00 0.00 177.00 178.02 1w29 s THR 52 N -2.24 4.22 -0.16 1.26 2.01 -0.28 -4.91 115.64 115.53 1w29 s THR 52 Ca 0.68 1.41 -0.02 0.00 0.31 0.00 0.00 61.69 64.08 1w29 s THR 52 Cb -0.22 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1w29 s THR 52 CO 0.41 -0.35 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.21 1w29 s VAL 53 N 4.03 3.40 -0.05 3.82 1.01 -1.26 -0.05 120.40 131.30 1w29 s VAL 53 Ca 0.55 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1w29 s VAL 53 Cb -0.18 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1w29 s VAL 53 CO 0.19 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.87 1w29 s VAL 54 N 0.61 1.82 0.06 2.92 1.01 -0.57 -4.98 120.40 121.26 1w29 s VAL 54 Ca -0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 1w29 s VAL 54 Cb -0.15 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1w29 s VAL 54 CO 0.03 0.51 0.30 -0.13 0.00 0.00 0.00 175.10 175.80 1w29 s ARG 55 N -0.10 3.58 0.25 2.72 1.81 -1.26 -2.03 118.95 123.91 1w29 s ARG 55 Ca -0.03 -0.13 0.04 0.00 -1.72 0.00 0.00 55.73 53.89 1w29 s ARG 55 Cb -0.13 -3.00 -0.05 0.00 -0.45 0.00 0.00 34.95 31.31 1w29 s ARG 55 CO 0.03 0.59 0.00 0.14 -0.68 0.00 0.00 175.30 175.38 1w29 s VAL 56 N -1.44 1.09 -0.03 3.52 -7.23 -0.01 -4.93 120.40 111.37 1w29 s VAL 56 Ca 0.33 -2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 1w29 s VAL 56 Cb -0.13 -2.43 -0.13 0.00 0.56 0.00 0.00 36.38 34.25 1w29 s VAL 56 CO 0.21 -0.26 0.86 0.25 -0.31 0.00 0.00 175.10 175.84 1w29 h LEU 57 N 2.40 -0.37 -8.78 1.32 5.85 -1.93 0.10 115.31 113.91 1w29 h LEU 57 Ca -0.39 -0.15 -0.38 0.00 0.84 0.00 0.00 57.88 57.80 1w29 h LEU 57 Cb 1.23 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 42.21 1w29 h LEU 57 CO 0.65 0.09 -0.71 -0.83 -0.34 0.00 0.00 178.44 177.30 1w29 s GLY 58 N -2.98 1.27 0.57 3.75 0.00 -1.26 -2.12 107.32 106.55 1w29 s GLY 58 Ca -0.11 -1.60 0.33 0.00 0.00 0.00 0.00 44.72 43.34 1w29 s GLY 58 CO 0.39 -1.67 1.76 0.00 0.00 0.00 0.00 173.10 173.58 1w29 h ALA 59 N 2.65 2.81 0.00 3.20 0.00 -1.90 -0.98 119.26 125.04 1w29 h ALA 59 Ca -0.37 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1w29 h ALA 59 Cb 1.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1w29 h ALA 59 CO 0.63 -1.28 -0.41 0.82 0.00 0.00 0.00 179.25 179.00 1w29 h ILE 60 N 0.00 0.88 -0.01 0.00 2.04 -1.96 -2.34 117.51 116.12 1w29 h ILE 60 Ca 0.45 -1.71 -0.09 0.00 1.00 0.00 0.00 64.86 64.50 1w29 h ILE 60 Cb 2.04 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 40.17 1w29 h ILE 60 CO -0.00 0.41 -0.43 -0.33 0.00 0.00 0.00 178.15 177.79 1w29 h GLU 61 N 0.00 0.03 -0.56 2.37 3.07 -1.59 -3.38 114.58 114.53 1w29 h GLU 61 Ca -0.00 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.95 1w29 h GLU 61 Cb 1.03 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.85 1w29 h GLU 61 CO 0.05 0.46 0.03 0.82 -1.40 0.00 0.00 179.01 178.98 1w29 h ILE 62 N 0.03 0.58 -0.55 3.13 2.04 -1.47 -3.17 117.51 118.10 1w29 h ILE 62 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1w29 h ILE 62 Cb 0.78 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1w29 h ILE 62 CO 0.06 0.03 0.32 -0.65 0.00 0.00 0.00 178.15 177.91 1w29 h PRO 63 N 0.15 0.74 -0.04 2.37 0.11 -1.77 0.84 132.00 134.41 1w29 h PRO 63 Ca 0.29 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.15 1w29 h PRO 63 Cb 0.45 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1w29 h PRO 63 CO -0.45 0.53 -0.79 -0.24 -0.21 0.00 0.00 178.00 176.83 1w29 h VAL 64 N 0.75 1.42 -0.18 3.15 3.04 -1.84 0.02 116.25 122.61 1w29 h VAL 64 Ca 0.20 -2.32 -0.18 0.00 -1.01 0.00 0.00 66.70 63.38 1w29 h VAL 64 Cb -0.02 2.26 0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1w29 h VAL 64 CO -0.04 0.69 -0.60 0.58 -1.01 0.00 0.00 177.57 177.20 1w29 h VAL 65 N 0.20 1.30 -0.98 1.51 2.07 -1.55 -2.46 116.25 116.34 1w29 h VAL 65 Ca -0.04 -1.82 0.07 0.00 0.82 0.00 0.00 66.70 65.73 1w29 h VAL 65 Cb 1.39 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 1w29 h VAL 65 CO 0.13 0.57 0.63 0.00 0.02 0.00 0.00 177.57 178.93 1w29 h ALA 66 N 0.57 1.44 -0.48 1.67 0.00 -0.60 -0.58 119.26 121.29 1w29 h ALA 66 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1w29 h ALA 66 Cb 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1w29 h ALA 66 CO 0.13 0.40 0.27 0.37 0.00 0.00 0.00 179.25 180.43 1w29 h GLN 67 N 1.13 0.53 -0.45 0.00 4.15 -0.93 0.18 115.11 119.71 1w29 h GLN 67 Ca 0.43 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 1w29 h GLN 67 Cb 0.20 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1w29 h GLN 67 CO -0.17 0.35 0.20 1.49 -1.93 0.00 0.00 178.83 178.77 1w29 h GLU 68 N 0.55 0.66 -0.26 1.69 4.57 -0.78 -3.20 114.58 117.82 1w29 h GLU 68 Ca 0.20 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 1w29 h GLU 68 Cb 0.04 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1w29 h GLU 68 CO -0.10 0.58 -0.35 -0.07 -1.18 0.00 0.00 179.01 177.89 1w29 h LEU 69 N 0.59 0.59 -2.42 1.64 3.38 -0.77 -2.37 115.31 115.94 1w29 h LEU 69 Ca 0.15 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1w29 h LEU 69 Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1w29 h LEU 69 CO -0.02 0.90 -0.01 0.00 0.09 0.00 0.00 178.44 179.39 1w29 h ALA 70 N 1.14 1.06 0.00 1.53 0.00 -0.65 -2.48 119.26 119.86 1w29 h ALA 70 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1w29 h ALA 70 Cb 0.84 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1w29 h ALA 70 CO 0.07 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.18 1w29 h ARG 71 N 0.00 0.00 0.00 0.00 3.08 -1.42 -3.32 114.38 112.72 1w29 h ARG 71 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1w29 h ARG 71 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1w29 h ARG 71 CO 0.00 0.16 -0.00 -1.71 -1.07 0.00 0.00 179.97 177.35 1w29 n ASN 72 N -3.80 1.41 -4.02 7.04 5.15 -0.95 -5.07 115.26 115.02 1w29 n ASN 72 Ca -0.02 -1.73 -0.08 0.00 -0.60 0.00 0.00 54.58 52.15 1w29 n ASN 72 Cb 0.26 -0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 39.40 1w29 n ASN 72 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1w29 s HIS 73 N -0.74 0.36 -0.52 1.20 3.76 -1.09 -4.99 115.29 113.27 1w29 s HIS 73 Ca 0.01 -0.77 0.24 0.00 -0.15 0.00 0.00 55.06 54.38 1w29 s HIS 73 Cb 0.01 -0.27 0.50 0.00 1.11 0.00 0.00 32.58 33.92 1w29 s HIS 73 CO 0.00 -0.32 1.66 -0.44 -0.85 0.00 0.00 174.74 174.79 1w29 h ASP 74 N 3.70 0.00 -4.02 1.40 3.32 -1.67 -3.44 116.42 115.71 1w29 h ASP 74 Ca -0.33 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1w29 h ASP 74 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 1w29 h ASP 74 CO 0.55 0.00 0.09 0.00 -1.72 0.00 0.00 179.24 178.16 1w29 s ALA 75 N -3.18 -1.70 -0.12 3.45 0.00 -1.07 -4.13 121.76 115.01 1w29 s ALA 75 Ca 0.08 1.91 0.01 0.00 0.00 0.00 0.00 51.96 53.96 1w29 s ALA 75 Cb 0.07 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1w29 s ALA 75 CO 0.65 -0.33 -0.13 0.08 0.00 0.00 0.00 175.76 176.03 1w29 s VAL 76 N 0.31 1.38 -0.23 0.00 1.01 -0.91 -1.56 120.40 120.41 1w29 s VAL 76 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1w29 s VAL 76 Cb -0.05 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1w29 s VAL 76 CO 0.01 0.42 0.31 -0.69 0.00 0.00 0.00 175.10 175.16 1w29 s VAL 77 N 1.27 5.25 -0.33 2.92 1.01 -0.38 -0.94 120.40 129.20 1w29 s VAL 77 Ca -0.01 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 1w29 s VAL 77 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1w29 s VAL 77 CO -0.05 0.26 0.25 0.00 0.00 0.00 0.00 175.10 175.56 1w29 s ALA 78 N 1.38 3.51 0.08 5.51 0.00 -0.52 -0.49 121.76 131.23 1w29 s ALA 78 Ca 0.14 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 50.89 1w29 s ALA 78 Cb -0.15 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1w29 s ALA 78 CO 0.07 -0.91 -0.23 -0.51 0.00 0.00 0.00 175.76 174.19 1w29 s LEU 79 N 1.78 2.25 0.00 0.00 1.43 0.34 0.55 118.68 125.02 1w29 s LEU 79 Ca 0.07 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1w29 s LEU 79 Cb -0.17 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1w29 s LEU 79 CO 0.11 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1w29 n GLY 80 N 1.35 -2.31 3.02 -3.19 0.00 -1.22 -0.70 105.19 102.14 1w29 n GLY 80 Ca -0.18 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.20 -0.07 -0.17 1.61 1.01 -1.26 -0.78 120.40 118.54 1w29 s VAL 81 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1w29 s VAL 81 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1w29 s VAL 81 CO 0.00 0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.30 1w29 s VAL 82 N 1.35 1.85 -0.02 2.92 1.01 0.03 -4.80 120.40 122.75 1w29 s VAL 82 Ca -0.08 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1w29 s VAL 82 Cb -0.11 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1w29 s VAL 82 CO -0.08 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 174.78 1w29 s ILE 83 N 1.36 3.29 0.25 2.22 1.01 -1.26 -1.20 121.20 126.86 1w29 s ILE 83 Ca 0.05 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1w29 s ILE 83 Cb -0.13 -2.36 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 1w29 s ILE 83 CO -0.12 0.49 1.02 -0.60 0.00 0.00 0.00 174.94 175.74 1w29 s ARG 84 N -1.06 4.74 0.00 2.79 3.52 -0.33 -4.94 118.95 123.67 1w29 s ARG 84 Ca 0.14 1.64 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 1w29 s ARG 84 Cb -0.11 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1w29 s ARG 84 CO 0.03 0.34 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1w29 n GLY 85 N 1.42 3.06 0.01 8.12 0.00 -1.26 -4.77 105.19 111.77 1w29 n GLY 85 Ca -0.01 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 0.62 -4.15 1.61 6.02 -1.26 -5.01 117.38 115.21 1w29 n GLN 86 Ca 0.00 -0.19 -0.27 0.00 -0.01 0.00 0.00 57.00 56.53 1w29 n GLN 86 Cb 0.00 -1.51 -0.05 0.00 1.02 0.00 0.00 30.24 29.70 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 -3.48 1.85 -1.30 5.09 -4.23 -1.26 -5.03 115.64 107.27 1w29 s THR 87 Ca -0.07 -1.67 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1w29 s THR 87 Cb 0.14 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.59 1w29 s THR 87 CO 0.90 0.00 1.20 -2.65 -0.54 0.00 0.00 174.62 173.53 1w29 n PRO 88 N -1.44 0.09 -0.25 3.99 -0.02 -1.26 -4.19 135.00 131.91 1w29 n PRO 88 Ca -0.05 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 1w29 n PRO 88 Cb 0.65 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.24 -0.85 6.00 2.76 -1.99 -1.31 115.15 120.00 1w29 h HIS 89 Ca 0.00 0.05 0.21 0.00 -2.20 0.00 0.00 60.37 58.43 1w29 h HIS 89 Cb 0.10 0.01 -0.15 0.00 1.55 0.00 0.00 27.41 28.93 1w29 h HIS 89 CO 0.00 -0.12 0.06 0.35 -1.30 0.00 0.00 177.93 176.92 1w29 h PHE 90 N 0.24 0.04 -0.67 5.26 3.57 -1.92 -1.10 116.94 122.36 1w29 h PHE 90 Ca 0.43 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.95 1w29 h PHE 90 Cb 0.76 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1w29 h PHE 90 CO -0.28 -0.28 0.27 -0.44 -2.23 0.00 0.00 178.31 175.34 1w29 h ASP 91 N 0.10 0.93 0.17 0.41 3.32 -1.55 -2.05 116.42 117.75 1w29 h ASP 91 Ca 0.50 -0.17 -0.20 0.00 0.02 0.00 0.00 57.03 57.17 1w29 h ASP 91 Cb 0.95 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1w29 h ASP 91 CO -0.74 0.85 -0.80 1.88 -1.72 0.00 0.00 179.24 178.72 1w29 h TYR 92 N 0.95 0.70 -0.48 4.55 0.05 -1.25 -2.26 116.97 119.24 1w29 h TYR 92 Ca 0.22 -0.33 0.01 0.00 0.05 0.00 0.00 58.73 58.69 1w29 h TYR 92 Cb 0.21 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1w29 h TYR 92 CO 0.01 1.12 0.30 0.28 -1.05 0.00 0.00 178.16 178.82 1w29 h VAL 93 N 0.33 1.09 -0.34 -2.88 2.07 -1.21 -1.24 116.25 114.07 1w29 h VAL 93 Ca -0.05 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1w29 h VAL 93 Cb 1.40 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1w29 h VAL 93 CO 0.14 0.11 -0.17 0.00 0.02 0.00 0.00 177.57 177.68 1w29 h ASP 95 N 0.56 0.04 -0.55 0.00 3.32 -1.10 -1.78 116.42 116.91 1w29 h ASP 95 Ca 0.09 -0.38 0.11 0.00 0.02 0.00 0.00 57.03 56.87 1w29 h ASP 95 Cb 0.60 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.05 1w29 h ASP 95 CO 0.04 0.41 0.02 0.00 -1.72 0.00 0.00 179.24 177.99 1w29 h ALA 96 N 0.63 0.55 -0.50 3.45 0.00 -1.27 0.12 119.26 122.25 1w29 h ALA 96 Ca 0.01 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1w29 h ALA 96 Cb 0.39 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1w29 h ALA 96 CO 0.00 -0.37 -0.13 0.28 0.00 0.00 0.00 179.25 179.03 1w29 h VAL 97 N 0.14 1.27 0.43 0.00 2.07 -1.35 -1.81 116.25 117.00 1w29 h VAL 97 Ca 0.28 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1w29 h VAL 97 Cb 0.44 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1w29 h VAL 97 CO -0.45 0.45 -0.20 0.74 0.02 0.00 0.00 177.57 178.12 1w29 h THR 98 N 0.84 0.55 -0.38 2.57 2.02 -0.67 -1.35 112.91 116.50 1w29 h THR 98 Ca 0.13 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1w29 h THR 98 Cb 0.69 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1w29 h THR 98 CO 0.05 0.06 0.25 1.56 0.37 0.00 0.00 175.52 177.81 1w29 h GLN 99 N -0.79 0.45 -0.06 6.66 4.20 -0.74 -2.74 115.11 122.09 1w29 h GLN 99 Ca -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1w29 h GLN 99 Cb 0.54 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1w29 h GLN 99 CO 0.10 0.30 -0.07 0.78 -0.67 0.00 0.00 178.83 179.27 1w29 h GLY 100 N 0.46 0.16 0.80 3.46 0.00 -1.12 -2.75 103.07 104.07 1w29 h GLY 100 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1w29 h GLY 100 CO -0.03 0.15 0.01 1.41 0.00 0.00 0.00 176.54 178.08 1w29 h LEU 101 N -0.31 0.25 -0.46 3.11 3.38 -1.11 -0.16 115.31 120.01 1w29 h LEU 101 Ca 0.01 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1w29 h LEU 101 Cb 0.59 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1w29 h LEU 101 CO 0.02 0.48 0.19 0.74 0.09 0.00 0.00 178.44 179.95 1w29 h THR 102 N 0.02 0.89 -0.57 0.22 2.02 -1.61 -0.85 112.91 113.02 1w29 h THR 102 Ca 0.04 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 1w29 h THR 102 Cb 0.34 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1w29 h THR 102 CO 0.01 0.07 -0.02 -0.09 0.37 0.00 0.00 175.52 175.86 1w29 h ARG 103 N 0.38 1.00 -0.44 6.66 2.43 -1.37 -2.67 114.38 120.36 1w29 h ARG 103 Ca 0.21 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1w29 h ARG 103 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1w29 h ARG 103 CO -0.20 0.99 0.09 0.28 -1.51 0.00 0.00 179.97 179.63 1w29 h VAL 104 N 0.92 1.24 -0.66 0.20 2.07 -0.57 -1.38 116.25 118.07 1w29 h VAL 104 Ca 0.16 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1w29 h VAL 104 Cb 0.55 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1w29 h VAL 104 CO 0.03 0.30 0.27 0.77 0.02 0.00 0.00 177.57 178.96 1w29 h SER 105 N 0.59 0.88 0.57 0.57 4.64 -1.13 -2.35 113.55 117.33 1w29 h SER 105 Ca 0.14 -0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 61.14 1w29 h SER 105 Cb 0.34 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1w29 h SER 105 CO 0.00 0.78 -0.90 -0.07 -0.87 0.00 0.00 176.83 175.77 1w29 h LEU 106 N 0.95 0.28 -0.91 5.97 3.38 -1.35 -1.45 115.31 122.18 1w29 h LEU 106 Ca 0.22 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1w29 h LEU 106 Cb 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1w29 h LEU 106 CO -0.02 1.04 -0.13 0.44 0.09 0.00 0.00 178.44 179.86 1w29 h ASP 107 N 0.12 0.65 -0.25 -0.43 3.45 -0.98 -3.01 116.42 115.96 1w29 h ASP 107 Ca -0.05 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1w29 h ASP 107 Cb 1.54 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1w29 h ASP 107 CO 0.14 0.80 0.00 -1.54 -1.57 0.00 0.00 179.24 177.07 1w29 n SER 108 N -4.17 2.99 -4.05 6.45 3.41 -0.91 -4.98 113.62 112.37 1w29 n SER 108 Ca 0.01 -1.88 -0.33 0.00 -0.26 0.00 0.00 58.87 56.41 1w29 n SER 108 Cb 0.36 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.14 -1.07 -3.93 4.04 7.64 -0.63 -4.94 113.62 115.87 1w29 n SER 109 Ca 0.15 -1.11 -0.19 0.00 1.01 0.00 0.00 58.87 58.73 1w29 n SER 109 Cb 0.51 -1.35 -0.16 0.00 -1.01 0.00 0.00 64.21 62.20 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 -3.99 0.56 0.08 0.44 2.01 -0.71 -5.04 115.64 109.00 1w29 s THR 110 Ca 0.19 -0.19 -0.33 0.00 0.31 0.00 0.00 61.69 61.67 1w29 s THR 110 Cb -0.10 -0.54 -0.12 0.00 0.01 0.00 0.00 72.50 71.74 1w29 s THR 110 CO 0.85 0.21 1.78 -2.65 -0.69 0.00 0.00 174.62 174.12 1w29 n PRO 111 N 3.66 2.48 -3.94 4.92 -0.02 -1.26 -4.46 135.00 136.38 1w29 n PRO 111 Ca -0.22 0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 1w29 n PRO 111 Cb 0.53 -2.76 -0.14 0.00 -0.02 0.00 0.00 33.50 31.12 1w29 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1w29 s ILE 112 N 2.59 2.63 0.28 4.25 -1.09 -1.26 -2.13 121.20 126.47 1w29 s ILE 112 Ca 0.84 -2.56 -0.29 0.00 -2.23 0.00 0.00 60.65 56.41 1w29 s ILE 112 Cb -0.58 -2.87 -0.10 0.00 -1.58 0.00 0.00 42.46 37.33 1w29 s ILE 112 CO 0.41 -0.68 1.29 0.00 -1.23 0.00 0.00 174.94 174.73 1w29 s ALA 113 N 0.61 3.50 -0.68 9.38 0.00 -0.12 -4.92 121.76 129.54 1w29 s ALA 113 Ca 0.12 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 1w29 s ALA 113 Cb -0.21 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 19.61 1w29 s ALA 113 CO -0.05 -0.55 0.64 1.21 0.00 0.00 0.00 175.76 177.01 1w29 s ASN 114 N -0.23 6.45 -0.53 0.00 2.47 -1.26 -1.44 114.94 120.40 1w29 s ASN 114 Ca 0.51 -2.18 0.02 0.00 0.42 0.00 0.00 52.86 51.63 1w29 s ASN 114 Cb -0.38 -2.22 0.58 0.00 -1.45 0.00 0.00 41.25 37.79 1w29 s ASN 114 CO 0.46 -0.75 1.96 0.61 -3.72 0.00 0.00 177.10 175.66 1w29 n GLY 115 N 4.69 5.05 3.48 1.21 0.00 0.19 -4.87 105.19 114.94 1w29 n GLY 115 Ca -0.01 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.90 5.16 0.40 1.61 1.01 -1.19 -3.44 120.40 120.05 1w29 s VAL 116 Ca 0.60 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1w29 s VAL 116 Cb 0.49 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1w29 s VAL 116 CO 0.06 -0.36 1.14 -0.76 0.00 0.00 0.00 175.10 175.18 1w29 s LEU 117 N 1.94 4.17 -0.33 3.92 1.43 0.04 -4.92 118.68 124.93 1w29 s LEU 117 Ca 0.09 2.27 -0.01 0.00 -1.03 0.00 0.00 54.13 55.45 1w29 s LEU 117 Cb -0.18 -4.07 0.11 0.00 0.03 0.00 0.00 46.19 42.08 1w29 s LEU 117 CO 0.12 -0.65 0.15 0.42 0.23 0.00 0.00 176.35 176.62 1w29 s THR 118 N -1.48 0.51 0.26 5.49 -4.23 -1.26 -0.79 115.64 114.15 1w29 s THR 118 Ca 0.58 -1.42 0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1w29 s THR 118 Cb -0.29 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1w29 s THR 118 CO 0.36 -0.78 -0.19 0.42 -0.54 0.00 0.00 174.62 173.89 1w29 s THR 119 N 1.49 2.29 0.12 3.99 -4.23 -0.35 -5.01 115.64 113.94 1w29 s THR 119 Ca 0.12 -2.35 -0.05 0.00 -1.18 0.00 0.00 61.69 58.23 1w29 s THR 119 Cb -0.19 -2.23 -0.20 0.00 1.34 0.00 0.00 72.50 71.22 1w29 s THR 119 CO -0.20 -0.44 1.28 0.78 -0.54 0.00 0.00 174.62 175.49 1w29 h ASN 120 N 2.37 0.57 -4.70 3.99 2.35 -1.91 -0.87 115.58 117.36 1w29 h ASN 120 Ca -0.40 -0.47 -0.28 0.00 -0.55 0.00 0.00 56.30 54.60 1w29 h ASN 120 Cb 1.25 -0.17 -0.15 0.00 0.05 0.00 0.00 38.32 39.30 1w29 h ASN 120 CO 0.60 1.27 -0.65 0.42 -1.65 0.00 0.00 177.43 177.43 1w29 s THR 121 N -3.21 0.53 0.17 2.81 -4.23 -1.26 -3.83 115.64 106.62 1w29 s THR 121 Ca -0.06 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.41 1w29 s THR 121 Cb 0.08 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 1w29 s THR 121 CO 0.87 -0.34 1.49 -0.08 -0.54 0.00 0.00 174.62 176.02 1w29 h GLU 122 N 2.65 0.71 -0.09 3.99 4.81 -1.95 -2.78 114.58 121.92 1w29 h GLU 122 Ca -0.37 -0.42 0.03 0.00 -0.13 0.00 0.00 59.36 58.48 1w29 h GLU 122 Cb 1.22 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1w29 h GLU 122 CO 0.61 1.04 -0.10 1.49 -0.73 0.00 0.00 179.01 181.32 1w29 h GLU 123 N 0.56 -0.13 -0.68 1.92 4.81 -2.00 -1.28 114.58 117.79 1w29 h GLU 123 Ca 0.03 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1w29 h GLU 123 Cb 1.05 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1w29 h GLU 123 CO 0.10 -0.08 0.45 1.96 -0.73 0.00 0.00 179.01 180.71 1w29 h GLN 124 N -0.13 0.83 -0.22 1.92 4.20 -1.94 -2.63 115.11 117.15 1w29 h GLN 124 Ca 0.07 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1w29 h GLN 124 Cb 0.23 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1w29 h GLN 124 CO -0.17 0.55 -0.15 0.00 -0.67 0.00 0.00 178.83 178.39 1w29 h ALA 125 N 1.59 0.31 -0.80 3.87 0.00 -1.15 -3.01 119.26 120.08 1w29 h ALA 125 Ca 0.27 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1w29 h ALA 125 Cb 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1w29 h ALA 125 CO -0.07 0.20 0.53 -0.07 0.00 0.00 0.00 179.25 179.83 1w29 h LEU 126 N 0.17 0.81 -1.28 0.00 3.38 -1.01 -2.33 115.31 115.05 1w29 h LEU 126 Ca 0.04 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1w29 h LEU 126 Cb 0.67 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1w29 h LEU 126 CO 0.04 0.54 -0.30 -0.78 0.09 0.00 0.00 178.44 178.03 1w29 h ASP 127 N 0.93 0.00 -0.60 -0.43 3.58 -1.46 -2.86 116.42 115.57 1w29 h ASP 127 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1w29 h ASP 127 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1w29 h ASP 127 CO -0.11 0.30 0.00 0.54 -2.88 0.00 0.00 179.24 177.09 1w29 n ARG 128 N -3.69 2.63 -0.19 0.28 1.74 -0.90 -1.39 116.66 115.13 1w29 n ARG 128 Ca -0.01 -2.50 0.08 0.00 -0.77 0.00 0.00 57.85 54.65 1w29 n ARG 128 Cb 0.41 -1.55 0.19 0.00 -1.02 0.00 0.00 32.46 30.48 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 1.59 2.31 -2.70 7.54 0.00 -1.05 -1.25 120.51 126.94 1w29 n ALA 129 Ca 0.23 -1.07 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 1w29 n ALA 129 Cb 0.61 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.96 0.15 3.91 0.00 0.00 -0.45 -3.99 105.19 105.77 1w29 n GLY 130 Ca 0.15 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.50 2.58 0.18 0.99 1.43 -1.26 -4.92 118.68 114.18 1w29 s LEU 131 Ca 0.17 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 1w29 s LEU 131 Cb -0.07 -2.97 0.15 0.00 0.03 0.00 0.00 46.19 43.33 1w29 s LEU 131 CO 0.21 -2.14 1.66 -0.65 0.23 0.00 0.00 176.35 175.66 1w29 h PRO 132 N -1.20 0.02 -0.00 1.29 0.11 -1.97 -2.17 132.00 128.08 1w29 h PRO 132 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.57 0.01 -0.08 0.25 -0.21 0.00 0.00 178.00 178.54 1w29 n THR 133 N -5.33 0.00 -1.96 -1.15 -2.24 -1.26 -4.89 114.28 97.45 1w29 n THR 133 Ca 0.04 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 1w29 n THR 133 Cb 0.26 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.70 6.16 0.42 3.42 0.01 -0.82 -4.96 113.70 115.24 1w29 s SER 134 Ca 0.23 2.75 0.23 0.00 1.31 0.00 0.00 55.95 60.47 1w29 s SER 134 Cb 0.20 -2.64 0.52 0.00 0.21 0.00 0.00 66.02 64.30 1w29 s SER 134 CO 0.51 -0.96 1.66 0.00 0.41 0.00 0.00 173.24 174.86 1w29 h ALA 135 N 2.56 0.93 -2.57 1.44 0.00 -1.55 -3.45 119.26 116.62 1w29 h ALA 135 Ca -0.50 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1w29 h ALA 135 Cb 1.25 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1w29 h ALA 135 CO 0.62 0.17 -0.43 -1.21 0.00 0.00 0.00 179.25 178.40 1w29 s GLU 136 N -3.28 1.08 -0.34 0.00 2.02 -0.97 -5.04 118.70 112.17 1w29 s GLU 136 Ca 0.05 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.77 1w29 s GLU 136 Cb 0.07 0.33 0.11 0.00 0.10 0.00 0.00 34.13 34.74 1w29 s GLU 136 CO 0.66 -0.37 0.15 0.34 0.02 0.00 0.00 175.26 176.06 1w29 s ASP 137 N -3.00 3.72 0.44 -0.19 -1.08 -1.25 -1.34 116.67 113.97 1w29 s ASP 137 Ca 0.20 -1.88 0.13 0.00 -0.52 0.00 0.00 52.55 50.48 1w29 s ASP 137 Cb 0.05 -0.76 0.99 0.00 -1.46 0.00 0.00 42.92 41.74 1w29 s ASP 137 CO 0.01 -0.37 2.00 0.11 0.52 0.00 0.00 175.17 177.44 1w29 h LYS 138 N 7.68 0.09 -0.34 4.34 1.57 -1.50 -1.96 116.57 126.45 1w29 h LYS 138 Ca -0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1w29 h LYS 138 Cb 0.99 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1w29 h LYS 138 CO 0.44 0.21 0.20 0.78 -0.57 0.00 0.00 179.45 180.50 1w29 h GLY 139 N 0.50 0.50 1.29 3.86 0.00 -1.81 -1.87 103.07 105.53 1w29 h GLY 139 Ca 0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 1w29 h GLY 139 CO 0.02 0.21 -0.58 0.00 0.00 0.00 0.00 176.54 176.19 1w29 h ALA 140 N 1.07 0.54 -0.63 3.60 0.00 -1.64 -3.06 119.26 119.14 1w29 h ALA 140 Ca 0.12 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1w29 h ALA 140 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1w29 h ALA 140 CO -0.02 0.69 0.39 1.96 0.00 0.00 0.00 179.25 182.27 1w29 h GLN 141 N 0.56 0.75 -0.54 0.00 4.20 -1.30 -2.32 115.11 116.46 1w29 h GLN 141 Ca 0.00 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1w29 h GLN 141 Cb 1.17 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1w29 h GLN 141 CO 0.12 0.49 0.10 0.00 -0.67 0.00 0.00 178.83 178.88 1w29 h ALA 142 N 1.27 1.17 -0.10 3.87 0.00 -1.32 -1.59 119.26 122.55 1w29 h ALA 142 Ca 0.25 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1w29 h ALA 142 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1w29 h ALA 142 CO -0.10 0.56 -0.82 1.15 0.00 0.00 0.00 179.25 180.04 1w29 h THR 143 N 0.80 1.31 0.15 0.00 2.02 -1.42 0.76 112.91 116.53 1w29 h THR 143 Ca 0.17 -2.09 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 1w29 h THR 143 Cb 0.34 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1w29 h THR 143 CO 0.00 0.65 -0.07 0.58 0.37 0.00 0.00 175.52 177.05 1w29 h VAL 144 N 0.43 0.86 -0.59 3.16 2.07 -1.32 -1.92 116.25 118.95 1w29 h VAL 144 Ca -0.06 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1w29 h VAL 144 Cb 1.44 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 32.01 1w29 h VAL 144 CO 0.16 0.01 0.09 0.00 0.02 0.00 0.00 177.57 177.85 1w29 h ALA 145 N 0.62 0.66 -0.24 1.67 0.00 -1.24 -1.00 119.26 119.72 1w29 h ALA 145 Ca -0.02 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1w29 h ALA 145 Cb 0.18 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1w29 h ALA 145 CO 0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 179.25 178.82 1w29 h ALA 146 N 1.49 0.06 -0.23 0.00 0.00 -0.68 -2.22 119.26 117.67 1w29 h ALA 146 Ca 0.31 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1w29 h ALA 146 Cb 0.47 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1w29 h ALA 146 CO -0.43 -0.54 -0.11 -0.07 0.00 0.00 0.00 179.25 178.10 1w29 h LEU 147 N -0.11 0.50 -1.03 0.00 3.38 -0.87 -1.78 115.31 115.40 1w29 h LEU 147 Ca 0.13 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1w29 h LEU 147 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1w29 h LEU 147 CO -0.31 0.80 0.23 0.00 0.09 0.00 0.00 178.44 179.25 1w29 h ALA 148 N 0.72 1.23 -0.06 1.53 0.00 -1.14 -0.86 119.26 120.67 1w29 h ALA 148 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1w29 h ALA 148 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1w29 h ALA 148 CO 0.03 0.56 -0.68 1.15 0.00 0.00 0.00 179.25 180.31 1w29 h THR 149 N 0.91 1.40 -0.19 0.00 2.02 -1.25 -1.89 112.91 113.91 1w29 h THR 149 Ca 0.21 -2.13 -0.08 0.00 0.77 0.00 0.00 66.41 65.19 1w29 h THR 149 Cb 0.20 2.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1w29 h THR 149 CO -0.02 0.63 -0.18 0.00 0.37 0.00 0.00 175.52 176.33 1w29 h ALA 150 N 1.07 0.27 -0.30 6.16 0.00 -0.69 -1.73 119.26 124.04 1w29 h ALA 150 Ca -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1w29 h ALA 150 Cb 1.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1w29 h ALA 150 CO 0.11 0.19 -0.03 -0.07 0.00 0.00 0.00 179.25 179.45 1w29 h LEU 151 N 0.11 -0.18 -0.24 0.00 3.38 -1.12 -0.83 115.31 116.44 1w29 h LEU 151 Ca 0.03 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1w29 h LEU 151 Cb 0.71 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1w29 h LEU 151 CO 0.04 -0.05 0.02 0.74 0.09 0.00 0.00 178.44 179.28 1w29 h THR 152 N 0.06 0.85 -0.56 0.22 2.02 -1.27 -2.52 112.91 111.71 1w29 h THR 152 Ca 0.15 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1w29 h THR 152 Cb 0.21 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1w29 h THR 152 CO -0.27 0.02 0.11 -0.07 0.37 0.00 0.00 175.52 175.69 1w29 h LEU 153 N 0.10 0.82 -0.66 2.58 3.38 -1.17 0.04 115.31 120.40 1w29 h LEU 153 Ca 0.11 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1w29 h LEU 153 Cb 0.13 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 1w29 h LEU 153 CO -0.17 0.82 0.07 -0.09 0.09 0.00 0.00 178.44 179.15 1w29 h ARG 154 N 0.84 0.17 -0.09 1.13 2.43 -0.90 0.27 114.38 118.23 1w29 h ARG 154 Ca 0.18 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1w29 h ARG 154 Cb 0.33 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1w29 h ARG 154 CO 0.00 0.11 -0.09 1.49 -1.51 0.00 0.00 179.97 179.97 1w29 h GLU 155 N 0.18 0.22 0.00 0.20 4.22 -1.02 -3.09 114.58 115.29 1w29 h GLU 155 Ca 0.36 -0.12 -0.03 0.00 0.08 0.00 0.00 59.36 59.65 1w29 h GLU 155 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1w29 h GLU 155 CO -0.52 0.65 -0.13 -0.07 -2.18 0.00 0.00 179.01 176.76 1w29 h LEU 156 N -0.19 0.00 0.00 1.64 3.38 -0.68 -3.45 115.31 116.01 1w29 h LEU 156 Ca 0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 1w29 h LEU 156 Cb 0.61 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.42 1w29 h LEU 156 CO 0.02 0.13 0.10 0.54 0.09 0.00 0.00 178.44 179.31 1w29 n ARG 157 N -4.34 0.04 -2.18 1.13 1.74 0.06 -4.98 116.66 108.13 1w29 n ARG 157 Ca -0.03 -1.78 -0.43 0.00 -0.77 0.00 0.00 57.85 54.85 1w29 n ARG 157 Cb 0.20 -0.49 -0.02 0.00 -1.02 0.00 0.00 32.46 31.13 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 -3.13 3.27 0.28 7.54 0.00 -1.26 -4.98 121.76 123.48 1w29 s ALA 158 Ca 0.45 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.82 1w29 s ALA 158 Cb -0.02 -3.84 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1w29 s ALA 158 CO 0.30 -1.95 0.13 -2.39 0.00 0.00 0.00 175.76 171.85 1w29 n HIS 159 N 8.36 -0.07 1.98 0.00 1.44 -1.26 -5.08 115.22 120.59 1w29 n HIS 159 Ca 0.18 -1.89 0.16 0.00 -2.01 0.00 0.00 57.72 54.16 1w29 n HIS 159 Cb 0.46 0.05 0.93 0.00 0.12 0.00 0.00 29.99 31.55 1w29 n HIS 159 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98