#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w29 n ALA 15 N 0.00 5.20 0.25 2.24 0.00 -1.11 -4.72 120.51 122.37 1w29 n ALA 15 Ca 0.00 -3.15 0.10 0.00 0.00 0.00 0.00 53.44 50.39 1w29 n ALA 15 Cb 0.00 -1.15 0.70 0.00 0.00 0.00 0.00 19.45 19.01 1w29 n ALA 15 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1w29 h SER 16 N 1.24 0.00 -0.00 0.00 0.02 -1.86 -2.73 113.55 110.22 1w29 h SER 16 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1w29 h SER 16 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1w29 h SER 16 CO 0.89 0.00 -0.49 0.61 -1.14 0.00 0.00 176.83 176.69 1w29 n GLY 17 N -1.50 -0.04 3.77 -3.77 0.00 -1.26 -4.84 105.19 97.55 1w29 n GLY 17 Ca -0.02 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1w29 n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1w29 s VAL 18 N -2.50 4.16 -0.37 1.61 -7.23 -1.03 -5.02 120.40 110.02 1w29 s VAL 18 Ca 0.18 1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 62.18 1w29 s VAL 18 Cb 0.18 -4.18 0.02 0.00 0.56 0.00 0.00 36.38 32.96 1w29 s VAL 18 CO 0.58 0.35 0.21 -0.13 -0.31 0.00 0.00 175.10 175.81 1w29 s ARG 19 N -1.54 2.97 -0.04 4.82 0.52 -1.26 -5.00 118.95 119.41 1w29 s ARG 19 Ca 0.44 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 1w29 s ARG 19 Cb -0.23 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.48 1w29 s ARG 19 CO 0.28 -0.64 -0.13 -1.17 0.02 0.00 0.00 175.30 173.66 1w29 s LEU 20 N 1.59 2.84 0.09 2.53 2.96 -1.26 -0.75 118.68 126.67 1w29 s LEU 20 Ca 0.03 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1w29 s LEU 20 Cb -0.19 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1w29 s LEU 20 CO 0.07 0.34 -0.22 0.00 -1.32 0.00 0.00 176.35 175.21 1w29 s ALA 21 N -0.79 1.92 -0.06 5.97 0.00 -0.39 -1.50 121.76 126.91 1w29 s ALA 21 Ca 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1w29 s ALA 21 Cb -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1w29 s ALA 21 CO 0.02 0.41 -0.05 0.42 0.00 0.00 0.00 175.76 176.56 1w29 s ILE 22 N -1.02 0.63 -0.13 0.00 1.01 0.11 -1.54 121.20 120.26 1w29 s ILE 22 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1w29 s ILE 22 Cb -0.10 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1w29 s ILE 22 CO 0.04 0.27 -0.17 0.54 0.00 0.00 0.00 174.94 175.61 1w29 s VAL 23 N 1.24 2.59 -0.04 2.92 0.11 0.51 -1.37 120.40 126.37 1w29 s VAL 23 Ca -0.06 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1w29 s VAL 23 Cb -0.14 -2.06 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 1w29 s VAL 23 CO -0.02 0.53 -0.10 0.00 -3.33 0.00 0.00 175.10 172.18 1w29 s ALA 24 N 0.50 1.04 0.72 1.54 0.00 -0.44 -0.74 121.76 124.37 1w29 s ALA 24 Ca -0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1w29 s ALA 24 Cb -0.16 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.57 1w29 s ALA 24 CO 0.05 0.12 1.05 -1.54 0.00 0.00 0.00 175.76 175.44 1w29 s SER 25 N 0.47 4.86 -0.00 0.00 1.04 -0.64 -1.15 113.70 118.28 1w29 s SER 25 Ca -0.09 0.61 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1w29 s SER 25 Cb -0.13 -1.27 -0.09 0.00 0.10 0.00 0.00 66.02 64.64 1w29 s SER 25 CO 0.02 -1.61 0.27 -1.20 0.98 0.00 0.00 173.24 171.70 1w29 n SER 26 N -3.00 1.24 -4.66 7.02 7.64 0.14 -4.79 113.62 117.22 1w29 n SER 26 Ca 0.08 -0.47 -0.47 0.00 1.01 0.00 0.00 58.87 59.02 1w29 n SER 26 Cb 0.60 1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 64.86 1w29 n SER 26 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1w29 n TRP 27 N -1.35 2.13 -2.88 1.43 7.02 -1.03 -2.55 117.44 120.21 1w29 n TRP 27 Ca 0.01 0.36 -0.05 0.00 -1.02 0.00 0.00 57.50 56.79 1w29 n TRP 27 Cb 0.14 -2.49 0.01 0.00 -2.42 0.00 0.00 31.31 26.54 1w29 n TRP 27 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1w29 n HIS 28 N 3.04 -3.18 -0.16 -5.99 8.25 -1.26 -4.59 115.22 111.33 1w29 n HIS 28 Ca 0.16 1.26 -0.06 0.00 -0.26 0.00 0.00 57.72 58.82 1w29 n HIS 28 Cb 0.28 -4.01 0.03 0.00 1.12 0.00 0.00 29.99 27.40 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 1.36 0.67 1.31 -1.41 0.00 -1.88 -2.77 103.07 100.35 1w29 h GLY 29 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1w29 h GLY 29 CO 0.23 0.19 -0.00 1.70 0.00 0.00 0.00 176.54 178.66 1w29 h LYS 30 N 0.58 0.84 -0.18 4.80 3.64 -1.92 -2.08 116.57 122.25 1w29 h LYS 30 Ca 0.19 -0.23 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1w29 h LYS 30 Cb -0.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1w29 h LYS 30 CO -0.08 0.84 -0.64 0.82 -2.27 0.00 0.00 179.45 178.13 1w29 h ILE 31 N 0.78 1.31 -0.82 2.00 2.04 -1.91 -2.74 117.51 118.17 1w29 h ILE 31 Ca 0.15 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 1w29 h ILE 31 Cb 0.47 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1w29 h ILE 31 CO 0.02 0.59 0.38 0.00 0.00 0.00 0.00 178.15 179.15 1w29 h ASP 33 N 1.17 0.77 0.77 0.00 5.19 -1.36 -1.64 116.42 121.31 1w29 h ASP 33 Ca 0.28 -0.02 -0.22 0.00 -0.62 0.00 0.00 57.03 56.46 1w29 h ASP 33 Cb 0.13 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1w29 h ASP 33 CO -0.03 0.55 -0.99 0.00 -3.12 0.00 0.00 179.24 175.64 1w29 h ALA 34 N 1.58 0.38 -0.56 3.45 0.00 -0.96 -1.85 119.26 121.29 1w29 h ALA 34 Ca 0.27 -0.83 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1w29 h ALA 34 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1w29 h ALA 34 CO -0.07 1.06 0.02 -0.07 0.00 0.00 0.00 179.25 180.19 1w29 h LEU 35 N 0.05 0.95 -0.66 0.00 3.38 -1.00 -2.91 115.31 115.12 1w29 h LEU 35 Ca -0.05 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 1w29 h LEU 35 Cb 1.69 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1w29 h LEU 35 CO 0.14 1.02 -0.49 0.25 0.09 0.00 0.00 178.44 179.45 1w29 h LEU 36 N 0.86 0.48 -0.62 1.67 5.85 -1.27 -1.69 115.31 120.60 1w29 h LEU 36 Ca 0.16 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1w29 h LEU 36 Cb 0.51 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1w29 h LEU 36 CO 0.02 0.90 0.28 -0.78 -0.34 0.00 0.00 178.44 178.52 1w29 h ASP 37 N 0.35 0.84 -0.09 1.25 1.82 -1.32 -0.61 116.42 118.67 1w29 h ASP 37 Ca 0.02 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1w29 h ASP 37 Cb 0.99 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 1w29 h ASP 37 CO 0.09 0.76 0.05 1.23 -1.61 0.00 0.00 179.24 179.76 1w29 h GLY 38 N 0.86 0.12 0.87 -0.78 0.00 -1.33 -2.23 103.07 100.57 1w29 h GLY 38 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1w29 h GLY 38 CO -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.52 1w29 h ALA 39 N 1.03 -0.02 0.00 3.60 0.00 -0.92 -2.38 119.26 120.58 1w29 h ALA 39 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1w29 h ALA 39 Cb -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1w29 h ALA 39 CO -0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 179.25 178.63 1w29 h ARG 40 N -0.06 0.00 0.02 0.00 3.08 -1.03 -1.53 114.38 114.87 1w29 h ARG 40 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1w29 h ARG 40 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1w29 h ARG 40 CO -0.06 0.08 -0.01 0.87 -1.07 0.00 0.00 179.97 179.78 1w29 h LYS 41 N 0.00 -0.03 -0.58 0.04 1.57 -1.03 -1.55 116.57 114.99 1w29 h LYS 41 Ca -0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1w29 h LYS 41 Cb 0.36 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1w29 h LYS 41 CO 0.01 0.70 0.20 0.28 -0.57 0.00 0.00 179.45 180.07 1w29 h VAL 42 N -0.86 0.75 -0.06 0.50 2.07 -1.26 -0.25 116.25 117.15 1w29 h VAL 42 Ca -0.00 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1w29 h VAL 42 Cb 0.74 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1w29 h VAL 42 CO 0.01 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.61 1w29 h ALA 43 N 1.41 0.00 -0.80 1.67 0.00 -1.33 -2.37 119.26 117.84 1w29 h ALA 43 Ca 0.30 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1w29 h ALA 43 Cb 0.38 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1w29 h ALA 43 CO -0.32 -0.52 0.51 0.00 0.00 0.00 0.00 179.25 178.92 1w29 h ALA 44 N 0.99 1.07 0.00 0.00 0.00 -0.63 -0.25 119.26 120.45 1w29 h ALA 44 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1w29 h ALA 44 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1w29 h ALA 44 CO -0.09 0.30 0.00 0.78 0.00 0.00 0.00 179.25 180.23 1w29 h GLY 45 N 0.97 0.00 -2.51 0.00 0.00 -0.68 -2.50 103.07 98.35 1w29 h GLY 45 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1w29 h GLY 45 CO -0.13 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.41 1w29 n GLY 47 N 1.59 0.49 3.24 0.00 0.00 -0.94 -2.73 105.19 106.83 1w29 n GLY 47 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 5.09 0.03 0.99 1.43 -0.22 -4.78 118.68 121.22 1w29 s LEU 48 Ca 0.00 -1.58 0.22 0.00 -1.03 0.00 0.00 54.13 51.75 1w29 s LEU 48 Cb 0.00 -1.95 -0.11 0.00 0.03 0.00 0.00 46.19 44.17 1w29 s LEU 48 CO 0.00 -0.52 0.86 0.47 0.23 0.00 0.00 176.35 177.39 1w29 n ASP 49 N 4.85 0.54 -2.82 2.29 8.00 -1.26 -1.99 116.55 126.17 1w29 n ASP 49 Ca -0.09 -0.29 -0.13 0.00 0.71 0.00 0.00 54.79 54.99 1w29 n ASP 49 Cb 0.43 1.13 0.01 0.00 -0.02 0.00 0.00 41.12 42.66 1w29 n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1w29 n ASP 50 N -1.98 1.51 -4.65 -2.24 9.92 -1.26 -5.02 116.55 112.82 1w29 n ASP 50 Ca 0.01 -2.88 -0.38 0.00 -0.53 0.00 0.00 54.79 51.00 1w29 n ASP 50 Cb 0.45 -0.55 0.05 0.00 -0.64 0.00 0.00 41.12 40.42 1w29 n ASP 50 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1w29 n PRO 51 N 0.02 1.18 -2.19 -0.24 -0.04 -1.26 -4.92 135.00 127.56 1w29 n PRO 51 Ca 0.16 0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 63.65 1w29 n PRO 51 Cb 0.75 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.90 1w29 n PRO 51 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1w29 s THR 52 N -1.41 3.41 -0.12 0.52 2.01 -0.56 -4.91 115.64 114.57 1w29 s THR 52 Ca 0.73 0.98 -0.00 0.00 0.31 0.00 0.00 61.69 63.71 1w29 s THR 52 Cb -0.43 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1w29 s THR 52 CO 0.49 0.06 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1w29 s VAL 53 N 1.35 1.19 -0.02 3.82 1.01 -1.26 0.05 120.40 126.55 1w29 s VAL 53 Ca 0.64 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1w29 s VAL 53 Cb -0.36 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1w29 s VAL 53 CO 0.30 0.39 -0.26 -0.69 0.00 0.00 0.00 175.10 174.84 1w29 s VAL 54 N 1.57 2.02 -0.16 2.92 1.01 -0.47 -4.98 120.40 122.32 1w29 s VAL 54 Ca 0.04 -1.10 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 1w29 s VAL 54 Cb -0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1w29 s VAL 54 CO -0.08 0.57 0.11 -0.13 0.00 0.00 0.00 175.10 175.57 1w29 s ARG 55 N -0.61 3.80 0.32 2.72 1.81 -1.26 -1.33 118.95 124.40 1w29 s ARG 55 Ca 0.10 -0.24 0.08 0.00 -1.72 0.00 0.00 55.73 53.95 1w29 s ARG 55 Cb -0.10 -3.24 -0.06 0.00 -0.45 0.00 0.00 34.95 31.09 1w29 s ARG 55 CO -0.01 0.48 -0.07 0.14 -0.68 0.00 0.00 175.30 175.17 1w29 s VAL 56 N -0.19 1.95 -0.11 3.52 -7.23 -0.30 -4.95 120.40 113.10 1w29 s VAL 56 Ca 0.09 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 1w29 s VAL 56 Cb -0.12 -2.61 -0.19 0.00 0.56 0.00 0.00 36.38 34.03 1w29 s VAL 56 CO 0.01 -0.21 0.66 0.25 -0.31 0.00 0.00 175.10 175.50 1w29 h LEU 57 N 2.10 -0.02 -9.38 1.32 5.85 -1.92 0.43 115.31 113.69 1w29 h LEU 57 Ca -0.41 -0.68 -0.52 0.00 0.84 0.00 0.00 57.88 57.10 1w29 h LEU 57 Cb 1.24 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.14 1w29 h LEU 57 CO 0.70 0.78 -0.59 -0.83 -0.34 0.00 0.00 178.44 178.16 1w29 s GLY 58 N -3.89 2.27 0.42 3.75 0.00 -1.26 -1.25 107.32 107.35 1w29 s GLY 58 Ca -0.14 -1.95 0.18 0.00 0.00 0.00 0.00 44.72 42.81 1w29 s GLY 58 CO 0.52 -1.90 1.90 0.00 0.00 0.00 0.00 173.10 173.62 1w29 h ALA 59 N 1.97 1.32 0.00 3.20 0.00 -1.91 -2.49 119.26 121.35 1w29 h ALA 59 Ca -0.41 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1w29 h ALA 59 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1w29 h ALA 59 CO 0.71 0.35 0.00 0.82 0.00 0.00 0.00 179.25 181.13 1w29 h ILE 60 N 0.00 0.00 0.00 0.00 2.04 -1.96 -2.24 117.51 115.35 1w29 h ILE 60 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1w29 h ILE 60 Cb 0.57 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1w29 h ILE 60 CO 0.04 0.00 -0.26 -0.62 0.00 0.00 0.00 178.15 177.30 1w29 n GLU 61 N -2.91 0.26 0.15 2.37 4.71 -0.94 -4.22 120.64 120.07 1w29 n GLU 61 Ca -0.00 0.15 -0.14 0.00 -0.01 0.00 0.00 57.16 57.16 1w29 n GLU 61 Cb 0.20 -1.74 -0.08 0.00 -1.01 0.00 0.00 31.44 28.81 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 0.79 -0.67 -3.67 2.04 -1.51 -2.97 117.51 111.52 1w29 h ILE 62 Ca 0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1w29 h ILE 62 Cb 0.73 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1w29 h ILE 62 CO 0.00 0.01 0.37 -0.65 0.00 0.00 0.00 178.15 177.88 1w29 h PRO 63 N -0.34 0.66 0.00 2.37 0.11 -1.77 0.19 132.00 133.23 1w29 h PRO 63 Ca -0.03 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1w29 h PRO 63 Cb 0.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1w29 h PRO 63 CO 0.05 0.44 -0.31 -0.24 -0.21 0.00 0.00 178.00 177.72 1w29 h VAL 64 N 0.68 0.91 0.03 3.15 3.04 -1.81 -1.28 116.25 120.97 1w29 h VAL 64 Ca 0.30 -1.22 -0.16 0.00 -1.01 0.00 0.00 66.70 64.62 1w29 h VAL 64 Cb 0.20 1.72 0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1w29 h VAL 64 CO -0.19 0.31 -0.62 0.58 -1.01 0.00 0.00 177.57 176.63 1w29 h VAL 65 N 0.00 1.45 -0.90 1.51 2.07 -1.04 -3.18 116.25 116.17 1w29 h VAL 65 Ca -0.00 -2.17 0.15 0.00 0.82 0.00 0.00 66.70 65.49 1w29 h VAL 65 Cb 0.70 2.74 -0.09 0.00 -1.52 0.00 0.00 31.29 33.12 1w29 h VAL 65 CO 0.04 0.63 0.50 0.00 0.02 0.00 0.00 177.57 178.76 1w29 h ALA 66 N 0.26 1.38 -0.70 1.67 0.00 -0.46 -1.71 119.26 119.71 1w29 h ALA 66 Ca -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1w29 h ALA 66 Cb 1.37 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1w29 h ALA 66 CO 0.12 -0.02 0.41 0.37 0.00 0.00 0.00 179.25 180.13 1w29 h GLN 67 N 0.71 0.95 -0.64 0.00 4.15 -1.26 -1.44 115.11 117.58 1w29 h GLN 67 Ca 0.48 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 1w29 h GLN 67 Cb 0.66 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 1w29 h GLN 67 CO -0.34 0.69 0.34 1.49 -1.93 0.00 0.00 178.83 179.07 1w29 h GLU 68 N 0.95 0.91 0.00 1.69 4.57 -1.47 -2.91 114.58 118.32 1w29 h GLU 68 Ca 0.25 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1w29 h GLU 68 Cb -0.01 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 1w29 h GLU 68 CO -0.04 0.70 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.19 1w29 h LEU 69 N 0.88 0.00 -0.36 1.64 3.38 -0.48 -2.74 115.31 117.63 1w29 h LEU 69 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1w29 h LEU 69 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1w29 h LEU 69 CO -0.03 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1w29 n ALA 70 N -2.45 1.94 0.42 1.53 0.00 -0.62 -2.59 120.51 118.73 1w29 n ALA 70 Ca -0.02 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1w29 n ALA 70 Cb 0.29 -1.42 0.46 0.00 0.00 0.00 0.00 19.45 18.78 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 0.00 0.00 0.00 3.08 -1.53 -3.34 114.38 112.60 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1w29 h ARG 71 CO 0.00 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.19 1w29 n ASN 72 N -2.52 1.10 -3.90 7.04 4.05 -1.07 -5.08 115.26 114.88 1w29 n ASN 72 Ca 0.03 -1.50 -0.11 0.00 0.45 0.00 0.00 54.58 53.45 1w29 n ASN 72 Cb 0.34 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.25 1w29 n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1w29 s HIS 73 N -0.50 0.09 -0.27 1.20 3.76 -1.12 -4.99 115.29 113.45 1w29 s HIS 73 Ca 0.00 -0.21 0.24 0.00 -0.15 0.00 0.00 55.06 54.95 1w29 s HIS 73 Cb 0.00 -0.08 0.55 0.00 1.11 0.00 0.00 32.58 34.16 1w29 s HIS 73 CO 0.00 -0.24 1.68 -0.44 -0.85 0.00 0.00 174.74 174.89 1w29 h ASP 74 N 4.55 0.00 -4.54 1.40 3.32 -1.26 -3.44 116.42 116.45 1w29 h ASP 74 Ca -0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1w29 h ASP 74 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 1w29 h ASP 74 CO 0.41 0.06 0.13 0.00 -1.72 0.00 0.00 179.24 178.12 1w29 s ALA 75 N -3.30 -1.70 -0.04 3.45 0.00 -1.14 -4.30 121.76 114.73 1w29 s ALA 75 Ca 0.05 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1w29 s ALA 75 Cb 0.06 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1w29 s ALA 75 CO 0.65 -0.35 -0.15 0.08 0.00 0.00 0.00 175.76 176.00 1w29 s VAL 76 N -0.48 1.25 -0.23 0.00 1.01 -0.64 -1.26 120.40 120.05 1w29 s VAL 76 Ca -0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1w29 s VAL 76 Cb -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1w29 s VAL 76 CO 0.06 0.37 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1w29 s VAL 77 N 0.10 3.48 -0.36 2.92 1.01 -0.59 -0.69 120.40 126.27 1w29 s VAL 77 Ca -0.04 -0.47 -0.13 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 33.67 1w29 s VAL 77 CO 0.02 0.40 0.25 0.00 0.00 0.00 0.00 175.10 175.78 1w29 s ALA 78 N 1.49 3.50 0.08 5.51 0.00 -0.61 -0.36 121.76 131.37 1w29 s ALA 78 Ca 0.06 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.62 1w29 s ALA 78 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1w29 s ALA 78 CO -0.02 -1.09 -0.08 -0.51 0.00 0.00 0.00 175.76 174.05 1w29 s LEU 79 N 1.71 3.10 0.00 0.00 1.43 0.08 0.33 118.68 125.33 1w29 s LEU 79 Ca 0.06 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1w29 s LEU 79 Cb -0.18 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1w29 s LEU 79 CO 0.10 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1w29 n GLY 80 N 0.93 -2.00 3.24 -3.19 0.00 -1.18 -1.61 105.19 101.38 1w29 n GLY 80 Ca -0.14 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.38 -0.76 -0.16 1.61 1.01 -1.26 -1.09 120.40 117.37 1w29 s VAL 81 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1w29 s VAL 81 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.58 1w29 s VAL 81 CO 0.00 0.00 -0.21 -0.69 0.00 0.00 0.00 175.10 174.20 1w29 s VAL 82 N 2.69 2.08 -0.12 2.92 1.01 -0.65 -4.80 120.40 123.53 1w29 s VAL 82 Ca 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1w29 s VAL 82 Cb -0.13 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1w29 s VAL 82 CO -0.16 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 174.65 1w29 s ILE 83 N 1.10 1.89 0.32 2.22 1.01 -1.26 -1.85 121.20 124.63 1w29 s ILE 83 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1w29 s ILE 83 Cb -0.14 -1.67 -0.11 0.00 0.01 0.00 0.00 42.46 40.54 1w29 s ILE 83 CO -0.08 0.52 1.56 -0.60 0.00 0.00 0.00 174.94 176.33 1w29 s ARG 84 N 0.75 4.12 0.00 2.79 3.52 -0.41 -4.99 118.95 124.73 1w29 s ARG 84 Ca -0.10 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 1w29 s ARG 84 Cb -0.16 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1w29 s ARG 84 CO 0.01 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 1w29 n GLY 85 N 1.60 3.28 0.12 8.12 0.00 -1.26 -4.79 105.19 112.26 1w29 n GLY 85 Ca 0.06 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 44.14 1w29 n GLY 85 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1w29 h GLN 86 N 0.00 0.00 -6.62 1.61 1.08 -2.00 -3.48 115.11 105.70 1w29 h GLN 86 Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 1w29 h GLN 86 Cb 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1w29 h GLN 86 CO 0.00 0.46 -0.15 0.95 -0.95 0.00 0.00 178.83 179.14 1w29 s THR 87 N -2.95 2.63 -2.00 -0.54 -4.23 -1.26 -4.99 115.64 102.30 1w29 s THR 87 Ca 0.02 -0.91 0.13 0.00 -1.18 0.00 0.00 61.69 59.75 1w29 s THR 87 Cb 0.08 -2.72 0.38 0.00 1.34 0.00 0.00 72.50 71.58 1w29 s THR 87 CO 0.77 0.00 1.22 -2.65 -0.54 0.00 0.00 174.62 173.42 1w29 n PRO 88 N -2.13 0.42 0.26 3.99 -0.02 -1.26 -4.19 135.00 132.08 1w29 n PRO 88 Ca 0.11 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.72 1w29 n PRO 88 Cb 0.60 -1.49 0.72 0.00 -0.02 0.00 0.00 33.50 33.30 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 0.00 -0.36 6.00 2.76 -1.96 -1.96 115.15 119.63 1w29 h HIS 89 Ca 0.00 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1w29 h HIS 89 Cb 0.00 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 1w29 h HIS 89 CO 0.00 0.12 -0.04 0.35 -1.30 0.00 0.00 177.93 177.06 1w29 h PHE 90 N 0.00 -0.10 -0.76 5.26 3.57 -1.95 -2.73 116.94 120.23 1w29 h PHE 90 Ca -0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1w29 h PHE 90 Cb 0.35 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1w29 h PHE 90 CO 0.00 -0.11 0.50 -0.44 -2.23 0.00 0.00 178.31 176.03 1w29 h ASP 91 N 0.05 0.85 -0.23 0.41 3.32 -1.68 -1.99 116.42 117.14 1w29 h ASP 91 Ca 0.17 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 1w29 h ASP 91 Cb 0.25 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1w29 h ASP 91 CO -0.33 0.61 -0.47 1.88 -1.72 0.00 0.00 179.24 179.21 1w29 h TYR 92 N 1.01 0.98 -0.34 4.55 0.05 -1.59 -1.72 116.97 119.90 1w29 h TYR 92 Ca 0.29 -0.32 0.02 0.00 0.05 0.00 0.00 58.73 58.76 1w29 h TYR 92 Cb -0.08 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 1w29 h TYR 92 CO -0.02 1.11 0.20 0.28 -1.05 0.00 0.00 178.16 178.68 1w29 h VAL 93 N 0.64 1.03 -0.71 -2.88 2.07 -1.22 -0.94 116.25 114.23 1w29 h VAL 93 Ca 0.04 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1w29 h VAL 93 Cb 1.04 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1w29 h VAL 93 CO 0.10 0.07 0.43 0.00 0.02 0.00 0.00 177.57 178.20 1w29 h ASP 95 N 0.97 -0.12 0.30 0.00 3.32 -0.96 0.26 116.42 120.20 1w29 h ASP 95 Ca 0.26 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1w29 h ASP 95 Cb -0.03 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1w29 h ASP 95 CO -0.05 -0.06 -0.22 0.00 -1.72 0.00 0.00 179.24 177.19 1w29 h ALA 96 N 0.92 -0.51 -0.46 3.45 0.00 -0.90 -1.03 119.26 120.73 1w29 h ALA 96 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1w29 h ALA 96 Cb 0.09 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1w29 h ALA 96 CO -0.04 -0.80 -0.35 0.28 0.00 0.00 0.00 179.25 178.34 1w29 h VAL 97 N -0.52 0.19 0.64 0.00 2.07 -1.30 -1.36 116.25 115.96 1w29 h VAL 97 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1w29 h VAL 97 Cb 0.45 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1w29 h VAL 97 CO 0.00 0.00 -0.50 0.74 0.02 0.00 0.00 177.57 177.83 1w29 h THR 98 N -0.23 0.01 -0.70 2.57 2.02 -0.58 -1.81 112.91 114.18 1w29 h THR 98 Ca 0.19 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.50 1w29 h THR 98 Cb 0.55 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1w29 h THR 98 CO -0.59 0.00 0.47 1.56 0.37 0.00 0.00 175.52 177.33 1w29 h GLN 99 N -1.11 0.41 0.15 6.66 4.20 -1.10 -2.11 115.11 122.20 1w29 h GLN 99 Ca -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1w29 h GLN 99 Cb 0.93 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1w29 h GLN 99 CO 0.01 0.27 -0.07 0.78 -0.67 0.00 0.00 178.83 179.15 1w29 h GLY 100 N 0.42 -0.21 0.97 3.46 0.00 -0.82 -1.93 103.07 104.97 1w29 h GLY 100 Ca 0.34 0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.85 1w29 h GLY 100 CO -0.10 -0.08 0.42 1.41 0.00 0.00 0.00 176.54 178.19 1w29 h LEU 101 N -0.95 0.36 -0.36 3.11 3.38 -1.32 0.15 115.31 119.68 1w29 h LEU 101 Ca -0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1w29 h LEU 101 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1w29 h LEU 101 CO 0.03 0.21 -0.07 0.74 0.09 0.00 0.00 178.44 179.44 1w29 h THR 102 N 0.39 1.28 -0.66 0.22 2.02 -1.41 -2.26 112.91 112.49 1w29 h THR 102 Ca 0.29 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 1w29 h THR 102 Cb 0.62 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1w29 h THR 102 CO -0.08 0.37 0.27 -0.09 0.37 0.00 0.00 175.52 176.36 1w29 h ARG 103 N 0.47 0.98 -0.53 6.66 2.43 -0.48 -3.12 114.38 120.80 1w29 h ARG 103 Ca 0.09 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1w29 h ARG 103 Cb 0.57 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1w29 h ARG 103 CO 0.03 0.82 0.20 0.28 -1.51 0.00 0.00 179.97 179.79 1w29 h VAL 104 N 0.93 1.22 -0.65 0.20 2.07 -0.66 -0.71 116.25 118.66 1w29 h VAL 104 Ca 0.22 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1w29 h VAL 104 Cb 0.20 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1w29 h VAL 104 CO -0.02 0.27 0.28 0.77 0.02 0.00 0.00 177.57 178.89 1w29 h SER 105 N 0.72 0.85 0.18 0.57 4.64 -1.41 -2.61 113.55 116.48 1w29 h SER 105 Ca 0.17 -0.10 -0.35 0.00 -0.47 0.00 0.00 61.79 61.04 1w29 h SER 105 Cb 0.22 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1w29 h SER 105 CO -0.01 0.74 -1.78 -0.07 -0.87 0.00 0.00 176.83 174.83 1w29 h LEU 106 N 0.92 0.58 -0.97 5.97 3.38 -1.41 -0.45 115.31 123.34 1w29 h LEU 106 Ca 0.22 -0.94 0.24 0.00 0.09 0.00 0.00 57.88 57.49 1w29 h LEU 106 Cb 0.14 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 1w29 h LEU 106 CO -0.02 1.80 0.53 0.44 0.09 0.00 0.00 178.44 181.27 1w29 h ASP 107 N 0.09 0.56 -0.01 -0.43 3.45 -1.16 -3.05 116.42 115.86 1w29 h ASP 107 Ca -0.36 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1w29 h ASP 107 Cb 2.08 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.91 1w29 h ASP 107 CO 0.16 0.07 -0.47 -1.54 -1.57 0.00 0.00 179.24 175.89 1w29 n SER 108 N -4.94 1.65 -3.55 6.45 3.41 -0.98 -4.97 113.62 110.69 1w29 n SER 108 Ca 0.25 -1.32 -0.26 0.00 -0.26 0.00 0.00 58.87 57.28 1w29 n SER 108 Cb 0.72 0.56 0.03 0.00 -0.26 0.00 0.00 64.21 65.26 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 -0.30 -5.01 -4.15 4.04 7.64 -0.25 -4.99 113.62 110.60 1w29 n SER 109 Ca 0.07 -0.55 -0.24 0.00 1.01 0.00 0.00 58.87 59.16 1w29 n SER 109 Cb 0.38 -4.03 -0.15 0.00 -1.01 0.00 0.00 64.21 59.39 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 -3.18 1.31 0.26 0.44 2.01 -0.76 -5.04 115.64 110.69 1w29 s THR 110 Ca 0.51 -0.71 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 1w29 s THR 110 Cb -0.25 -1.09 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 1w29 s THR 110 CO 0.63 0.37 1.65 -2.65 -0.69 0.00 0.00 174.62 173.94 1w29 n PRO 111 N 2.69 2.74 -3.87 4.92 -0.02 -1.26 -4.33 135.00 135.87 1w29 n PRO 111 Ca -0.15 0.98 -0.30 0.00 -2.02 0.00 0.00 63.50 62.01 1w29 n PRO 111 Cb 0.54 -2.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.08 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 0.48 1.51 -0.03 4.25 -1.09 -1.25 -1.62 121.20 123.44 1w29 s ILE 112 Ca 0.69 -1.75 -0.30 0.00 -2.23 0.00 0.00 60.65 57.05 1w29 s ILE 112 Cb -0.50 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1w29 s ILE 112 CO 0.42 -0.58 1.24 0.00 -1.23 0.00 0.00 174.94 174.79 1w29 s ALA 113 N 1.31 3.50 -0.83 9.38 0.00 0.13 -4.93 121.76 130.32 1w29 s ALA 113 Ca 0.08 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 1w29 s ALA 113 Cb -0.18 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.52 1w29 s ALA 113 CO -0.16 -0.75 1.07 1.21 0.00 0.00 0.00 175.76 177.13 1w29 s ASN 114 N 1.50 6.46 -0.46 0.00 3.84 -1.26 -1.57 114.94 123.44 1w29 s ASN 114 Ca 0.58 -1.66 0.04 0.00 0.21 0.00 0.00 52.86 52.03 1w29 s ASN 114 Cb -0.27 -2.41 0.62 0.00 -0.55 0.00 0.00 41.25 38.64 1w29 s ASN 114 CO 0.24 -1.20 1.88 0.61 -2.79 0.00 0.00 177.10 175.83 1w29 n GLY 115 N 5.49 4.78 3.49 1.21 0.00 0.15 -4.90 105.19 115.41 1w29 n GLY 115 Ca 0.14 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.54 5.24 0.40 1.61 1.01 -1.23 -3.12 120.40 120.76 1w29 s VAL 116 Ca 0.57 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 1w29 s VAL 116 Cb 0.48 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1w29 s VAL 116 CO 0.08 -0.21 1.36 -0.76 0.00 0.00 0.00 175.10 175.56 1w29 s LEU 117 N 1.76 4.24 -0.29 3.92 1.43 -0.25 -4.93 118.68 124.57 1w29 s LEU 117 Ca 0.06 2.77 -0.02 0.00 -1.03 0.00 0.00 54.13 55.92 1w29 s LEU 117 Cb -0.18 -3.84 0.09 0.00 0.03 0.00 0.00 46.19 42.29 1w29 s LEU 117 CO 0.11 -0.88 0.10 0.42 0.23 0.00 0.00 176.35 176.33 1w29 s THR 118 N -1.21 0.60 0.29 5.49 -4.23 -1.26 -1.64 115.64 113.68 1w29 s THR 118 Ca 0.56 -1.13 0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1w29 s THR 118 Cb -0.41 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1w29 s THR 118 CO 0.53 -0.63 -0.19 0.42 -0.54 0.00 0.00 174.62 174.22 1w29 s THR 119 N 1.76 2.46 0.12 3.99 -4.23 -0.77 -5.02 115.64 113.96 1w29 s THR 119 Ca 0.08 -2.39 0.15 0.00 -1.18 0.00 0.00 61.69 58.35 1w29 s THR 119 Cb -0.17 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1w29 s THR 119 CO -0.26 -0.38 1.60 0.78 -0.54 0.00 0.00 174.62 175.82 1w29 h ASN 120 N 2.24 0.00 -5.24 3.99 2.35 -1.92 -1.07 115.58 115.93 1w29 h ASN 120 Ca -0.40 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.24 1w29 h ASN 120 Cb 1.26 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.49 1w29 h ASN 120 CO 0.61 0.53 -0.46 0.42 -1.65 0.00 0.00 177.43 176.88 1w29 s THR 121 N -3.37 0.13 0.26 2.81 -4.23 -1.26 -4.22 115.64 105.76 1w29 s THR 121 Ca 0.01 -1.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 1w29 s THR 121 Cb 0.11 -1.61 0.21 0.00 1.34 0.00 0.00 72.50 72.55 1w29 s THR 121 CO 0.73 -0.60 1.88 -0.08 -0.54 0.00 0.00 174.62 176.01 1w29 h GLU 122 N 2.79 1.15 -0.99 3.99 4.81 -1.95 -2.62 114.58 121.76 1w29 h GLU 122 Ca -0.34 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 1w29 h GLU 122 Cb 1.19 -0.23 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 1w29 h GLU 122 CO 0.57 0.84 0.63 1.05 -0.73 0.00 0.00 179.01 181.37 1w29 h GLU 123 N 1.15 1.01 -0.12 1.92 4.11 -1.99 -1.84 114.58 118.82 1w29 h GLU 123 Ca 0.29 -0.06 -0.17 0.00 0.07 0.00 0.00 59.36 59.49 1w29 h GLU 123 Cb 0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1w29 h GLU 123 CO -0.05 0.67 -0.66 1.96 0.07 0.00 0.00 179.01 181.01 1w29 h GLN 124 N 1.04 0.46 -0.21 1.06 4.20 -1.90 -2.67 115.11 117.10 1w29 h GLN 124 Ca 0.47 -0.34 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 1w29 h GLN 124 Cb 0.37 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1w29 h GLN 124 CO -0.22 0.96 -0.45 0.00 -0.67 0.00 0.00 178.83 178.45 1w29 h ALA 125 N 0.95 0.83 -0.05 3.87 0.00 -1.24 -3.10 119.26 120.53 1w29 h ALA 125 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 1w29 h ALA 125 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1w29 h ALA 125 CO 0.12 0.66 -0.66 -0.07 0.00 0.00 0.00 179.25 179.29 1w29 h LEU 126 N 0.43 0.25 -0.12 0.00 3.38 -1.27 -1.77 115.31 116.21 1w29 h LEU 126 Ca 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1w29 h LEU 126 Cb 0.96 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1w29 h LEU 126 CO 0.08 0.84 0.00 -0.67 0.09 0.00 0.00 178.44 178.79 1w29 n ASP 127 N -3.82 0.11 -0.09 -0.43 2.03 -1.02 -3.37 116.55 109.97 1w29 n ASP 127 Ca -0.03 0.53 0.06 0.00 0.52 0.00 0.00 54.79 55.87 1w29 n ASP 127 Cb 0.66 -0.55 0.08 0.00 -0.72 0.00 0.00 41.12 40.59 1w29 n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1w29 n ARG 128 N -1.63 1.58 -0.07 -0.67 1.74 -0.68 -2.27 116.66 114.66 1w29 n ARG 128 Ca 0.03 -2.07 0.06 0.00 -0.77 0.00 0.00 57.85 55.11 1w29 n ARG 128 Cb 0.18 -1.24 0.09 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.00 2.37 -2.94 7.54 0.00 -1.12 -1.19 120.51 124.17 1w29 n ALA 129 Ca 0.10 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.55 1w29 n ALA 129 Cb 0.54 -0.43 0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 0.64 -0.27 3.62 0.00 0.00 -0.73 -4.06 105.19 104.40 1w29 n GLY 130 Ca 0.09 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.50 1.36 0.22 0.99 1.02 -1.26 -4.90 118.68 110.61 1w29 s LEU 131 Ca 0.28 1.27 -0.13 0.00 0.02 0.00 0.00 54.13 55.56 1w29 s LEU 131 Cb -0.12 -3.37 0.25 0.00 0.02 0.00 0.00 46.19 42.97 1w29 s LEU 131 CO 0.34 -3.45 1.62 -0.65 0.02 0.00 0.00 176.35 174.23 1w29 h PRO 132 N -2.11 -0.01 -0.48 1.29 0.11 -1.95 -1.97 132.00 126.88 1w29 h PRO 132 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1w29 h PRO 132 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1w29 h PRO 132 CO 0.56 -0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 1w29 n THR 133 N -5.45 0.63 -1.73 -1.15 -2.24 -1.26 -4.97 114.28 98.12 1w29 n THR 133 Ca 0.08 -0.74 -0.38 0.00 -2.27 0.00 0.00 64.05 60.73 1w29 n THR 133 Cb 0.35 0.64 0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1w29 n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1w29 n SER 134 N 1.28 2.43 0.09 3.42 7.64 -0.74 -4.92 113.62 122.83 1w29 n SER 134 Ca 0.20 0.95 -0.03 0.00 1.01 0.00 0.00 58.87 61.00 1w29 n SER 134 Cb 0.54 -1.55 0.18 0.00 -1.01 0.00 0.00 64.21 62.36 1w29 n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w29 h ALA 135 N 1.29 1.00 -2.87 -0.43 0.00 -1.79 -3.47 119.26 112.98 1w29 h ALA 135 Ca -0.50 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 1w29 h ALA 135 Cb 1.31 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1w29 h ALA 135 CO 0.56 0.65 -0.01 -1.83 0.00 0.00 0.00 179.25 178.62 1w29 s GLU 136 N -3.98 1.55 -0.37 0.00 -1.05 -1.09 -5.07 118.70 108.68 1w29 s GLU 136 Ca -0.04 -1.09 0.02 0.00 -0.15 0.00 0.00 54.97 53.70 1w29 s GLU 136 Cb 0.13 0.51 0.11 0.00 -0.44 0.00 0.00 34.13 34.44 1w29 s GLU 136 CO 0.78 -0.66 0.13 0.34 0.95 0.00 0.00 175.26 176.80 1w29 s ASP 137 N -2.96 4.18 0.25 0.83 -1.08 -1.26 -1.77 116.67 114.87 1w29 s ASP 137 Ca 0.16 -2.16 0.10 0.00 -0.52 0.00 0.00 52.55 50.14 1w29 s ASP 137 Cb -0.02 -1.20 0.27 0.00 -1.46 0.00 0.00 42.92 40.51 1w29 s ASP 137 CO 0.05 -0.35 1.56 0.11 0.52 0.00 0.00 175.17 177.06 1w29 h LYS 138 N 7.47 0.00 -0.24 4.34 1.57 -1.47 -2.33 116.57 125.92 1w29 h LYS 138 Ca -0.07 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1w29 h LYS 138 Cb 0.98 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1w29 h LYS 138 CO 0.51 0.67 -0.07 0.78 -0.57 0.00 0.00 179.45 180.76 1w29 h GLY 139 N 2.10 0.15 0.35 3.86 0.00 -1.79 -1.77 103.07 105.96 1w29 h GLY 139 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1w29 h GLY 139 CO 0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 176.54 176.37 1w29 h ALA 140 N 1.21 0.01 -0.94 3.60 0.00 -1.67 -2.86 119.26 118.61 1w29 h ALA 140 Ca 0.12 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1w29 h ALA 140 Cb 0.20 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1w29 h ALA 140 CO -0.26 -0.57 0.58 1.96 0.00 0.00 0.00 179.25 180.96 1w29 h GLN 141 N -0.15 0.93 -0.01 0.00 4.20 -1.21 -1.19 115.11 117.69 1w29 h GLN 141 Ca 0.13 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 1w29 h GLN 141 Cb 0.33 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1w29 h GLN 141 CO -0.31 0.62 -0.76 0.00 -0.67 0.00 0.00 178.83 177.71 1w29 h ALA 142 N 1.49 0.71 -0.01 3.87 0.00 -1.28 -0.20 119.26 123.84 1w29 h ALA 142 Ca 0.45 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1w29 h ALA 142 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1w29 h ALA 142 CO -0.24 0.89 -0.01 1.15 0.00 0.00 0.00 179.25 181.04 1w29 h THR 143 N 0.06 1.43 -0.57 0.00 2.02 -1.19 -0.61 112.91 114.04 1w29 h THR 143 Ca -0.02 -1.28 0.10 0.00 0.77 0.00 0.00 66.41 65.98 1w29 h THR 143 Cb 1.34 2.28 -0.08 0.00 -1.74 0.00 0.00 68.15 69.95 1w29 h THR 143 CO 0.11 0.34 0.15 0.58 0.37 0.00 0.00 175.52 177.07 1w29 h VAL 144 N -0.51 0.71 -0.68 3.16 2.07 -1.08 0.39 116.25 120.31 1w29 h VAL 144 Ca 0.00 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1w29 h VAL 144 Cb 0.56 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1w29 h VAL 144 CO 0.00 0.06 0.43 0.00 0.02 0.00 0.00 177.57 178.07 1w29 h ALA 145 N 1.43 0.89 -0.14 1.67 0.00 -0.95 0.45 119.26 122.61 1w29 h ALA 145 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1w29 h ALA 145 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1w29 h ALA 145 CO -0.35 0.20 0.05 0.00 0.00 0.00 0.00 179.25 179.14 1w29 h ALA 146 N 1.29 0.19 -0.51 0.00 0.00 0.04 -1.69 119.26 118.58 1w29 h ALA 146 Ca 0.27 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1w29 h ALA 146 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1w29 h ALA 146 CO -0.11 -0.20 -0.16 -0.07 0.00 0.00 0.00 179.25 178.72 1w29 h LEU 147 N 0.05 1.01 -0.62 0.00 3.38 -0.59 -1.20 115.31 117.34 1w29 h LEU 147 Ca 0.05 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 1w29 h LEU 147 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1w29 h LEU 147 CO -0.00 1.15 -0.47 0.00 0.09 0.00 0.00 178.44 179.21 1w29 h ALA 148 N 0.93 0.80 0.00 1.53 0.00 -0.91 -2.29 119.26 119.32 1w29 h ALA 148 Ca 0.12 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1w29 h ALA 148 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1w29 h ALA 148 CO 0.06 0.66 -0.49 1.15 0.00 0.00 0.00 179.25 180.63 1w29 h THR 149 N 0.43 1.21 -0.02 0.00 2.02 -1.18 -1.95 112.91 113.43 1w29 h THR 149 Ca 0.03 -1.74 -0.14 0.00 0.77 0.00 0.00 66.41 65.33 1w29 h THR 149 Cb 0.98 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1w29 h THR 149 CO 0.09 0.48 -0.62 0.00 0.37 0.00 0.00 175.52 175.83 1w29 h ALA 150 N 1.51 0.93 0.16 6.16 0.00 -0.79 -2.24 119.26 124.99 1w29 h ALA 150 Ca -0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 1w29 h ALA 150 Cb 0.94 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.66 1w29 h ALA 150 CO 0.06 0.76 -0.94 -0.07 0.00 0.00 0.00 179.25 179.06 1w29 h LEU 151 N 0.05 0.56 -0.30 0.00 3.38 -1.36 -2.43 115.31 115.22 1w29 h LEU 151 Ca -0.01 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.09 1w29 h LEU 151 Cb 1.11 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 1w29 h LEU 151 CO 0.09 1.45 -0.32 0.74 0.09 0.00 0.00 178.44 180.49 1w29 h THR 152 N -0.24 0.26 -0.75 0.22 2.02 -1.35 -2.05 112.91 111.03 1w29 h THR 152 Ca -0.16 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1w29 h THR 152 Cb 1.74 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1w29 h THR 152 CO 0.18 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.30 1w29 h LEU 153 N -0.30 1.01 -0.56 2.58 3.38 -1.44 -1.61 115.31 118.38 1w29 h LEU 153 Ca 0.14 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1w29 h LEU 153 Cb 0.53 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1w29 h LEU 153 CO -0.46 0.89 0.26 0.03 0.09 0.00 0.00 178.44 179.25 1w29 h ARG 154 N 1.08 0.48 -0.47 1.13 3.08 -1.18 0.20 114.38 118.70 1w29 h ARG 154 Ca 0.25 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 1w29 h ARG 154 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1w29 h ARG 154 CO -0.02 0.32 -0.05 1.49 -1.07 0.00 0.00 179.97 180.64 1w29 h GLU 155 N 0.50 0.81 -0.35 0.04 4.57 -0.83 -2.97 114.58 116.35 1w29 h GLU 155 Ca 0.26 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1w29 h GLU 155 Cb 0.22 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1w29 h GLU 155 CO -0.21 0.85 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.37 1w29 h LEU 156 N 0.74 0.53 0.00 1.64 3.38 -0.64 -3.45 115.31 117.52 1w29 h LEU 156 Ca 0.13 -0.11 -0.42 0.00 0.09 0.00 0.00 57.88 57.57 1w29 h LEU 156 Cb 0.52 -0.14 0.17 0.00 0.09 0.00 0.00 40.66 41.30 1w29 h LEU 156 CO 0.03 0.63 0.41 0.54 0.09 0.00 0.00 178.44 180.13 1w29 n ARG 157 N -4.25 -1.25 -1.95 1.13 1.74 0.65 -4.96 116.66 107.77 1w29 n ARG 157 Ca 0.01 -2.02 -0.42 0.00 -0.77 0.00 0.00 57.85 54.65 1w29 n ARG 157 Cb 0.27 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.96 3.66 0.14 7.54 0.00 -1.26 -4.98 121.76 122.90 1w29 s ALA 158 Ca 0.74 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.80 1w29 s ALA 158 Cb -0.02 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1w29 s ALA 158 CO 0.52 -1.19 0.12 -3.38 0.00 0.00 0.00 175.76 171.83 1w29 s HIS 159 N 3.05 0.70 -1.18 0.00 -3.43 -1.26 -5.07 115.29 108.10 1w29 s HIS 159 Ca 0.74 -1.08 0.09 0.00 -0.80 0.00 0.00 55.06 54.02 1w29 s HIS 159 Cb -0.38 -0.34 0.07 0.00 -1.43 0.00 0.00 32.58 30.50 1w29 s HIS 159 CO 0.32 -0.58 0.80 -1.13 -2.00 0.00 0.00 174.74 172.15