#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s ASP 1 N 0.00 5.96 -0.17 6.12 1.01 -1.26 -4.94 116.67 123.38 3d29 s ASP 1 Ca 0.00 0.87 -0.16 0.00 0.71 0.00 0.00 52.55 53.98 3d29 s ASP 1 Cb 0.00 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 3d29 s ASP 1 CO 0.00 -0.82 0.37 -0.63 0.21 0.00 0.00 175.17 174.30 3d29 s ILE 2 N -2.89 5.24 -0.24 0.77 1.09 -1.26 -4.79 121.20 119.11 3d29 s ILE 2 Ca 0.51 0.69 -0.01 0.00 -1.10 0.00 0.00 60.65 60.74 3d29 s ILE 2 Cb -0.10 -3.71 0.07 0.00 -1.06 0.00 0.00 42.46 37.66 3d29 s ILE 2 CO 0.46 0.31 0.04 -0.63 -0.10 0.00 0.00 174.94 175.02 3d29 s ILE 3 N 0.90 0.85 0.11 2.92 -1.09 -1.26 -1.21 121.20 122.43 3d29 s ILE 3 Ca 0.19 -0.99 0.10 0.00 -2.23 0.00 0.00 60.65 57.73 3d29 s ILE 3 Cb -0.14 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 3d29 s ILE 3 CO 0.07 -0.35 -0.26 -0.76 -1.23 0.00 0.00 174.94 172.41 3d29 s LEU 4 N 1.68 2.30 -0.12 2.97 1.43 -0.06 -2.31 118.68 124.56 3d29 s LEU 4 Ca 0.02 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 3d29 s LEU 4 Cb -0.17 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.92 3d29 s LEU 4 CO -0.14 0.17 0.32 -0.83 0.23 0.00 0.00 176.35 176.10 3d29 s GLY 5 N -1.92 -0.24 -0.07 -3.19 0.00 -0.14 -1.25 107.32 100.52 3d29 s GLY 5 Ca 0.12 1.00 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 3d29 s GLY 5 CO 0.05 0.97 0.16 -1.50 0.00 0.00 0.00 173.10 172.78 3d29 s ILE 6 N 0.51 -0.09 -0.30 0.90 2.07 -0.01 -0.31 121.20 123.96 3d29 s ILE 6 Ca -0.03 0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.31 3d29 s ILE 6 Cb -0.04 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 3d29 s ILE 6 CO -0.03 0.09 0.18 -0.60 -1.91 0.00 0.00 174.94 172.67 3d29 s ARG 7 N 1.37 3.62 0.00 3.50 3.52 0.22 -0.52 118.95 130.67 3d29 s ARG 7 Ca -0.07 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3d29 s ARG 7 Cb -0.12 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 3d29 s ARG 7 CO -0.06 -0.32 0.00 1.33 -0.81 0.00 0.00 175.30 175.44 3d29 n VAL 8 N 5.03 0.00 -0.06 7.11 0.24 -0.00 -4.83 118.33 125.82 3d29 n VAL 8 Ca -0.14 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 3d29 n VAL 8 Cb 0.51 -0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.94 3d29 n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3d29 h GLN 9 N 0.00 -0.40 0.00 7.34 5.75 -0.98 -3.32 115.11 123.50 3d29 h GLN 9 Ca 0.00 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3d29 h GLN 9 Cb 0.00 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.55 3d29 h GLN 9 CO 0.00 -0.27 -0.50 -0.25 -2.65 0.00 0.00 178.83 175.16 3d29 n ASP 10 N -5.42 1.38 -3.68 -0.69 8.00 -1.26 -4.66 116.55 110.22 3d29 n ASP 10 Ca -0.03 -2.89 -0.04 0.00 0.71 0.00 0.00 54.79 52.54 3d29 n ASP 10 Cb 0.36 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 3d29 n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3d29 s SER 11 N -2.43 -0.22 -0.07 -2.24 1.04 -1.25 -4.46 113.70 104.08 3d29 s SER 11 Ca 0.28 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.49 3d29 s SER 11 Cb 0.28 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 3d29 s SER 11 CO -0.06 -0.78 -0.23 -0.69 0.98 0.00 0.00 173.24 172.47 3d29 s VAL 12 N -3.17 1.91 -0.12 5.02 1.01 -0.29 -0.82 120.40 123.94 3d29 s VAL 12 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.13 3d29 s VAL 12 Cb -0.01 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3d29 s VAL 12 CO -0.01 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 3d29 s ILE 13 N 0.03 2.48 -0.08 2.22 1.01 0.32 -0.96 121.20 126.23 3d29 s ILE 13 Ca -0.08 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3d29 s ILE 13 Cb -0.15 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 3d29 s ILE 13 CO 0.05 0.54 -0.17 -0.76 0.00 0.00 0.00 174.94 174.60 3d29 s LEU 14 N 0.43 2.55 -0.07 2.97 1.43 -0.64 -0.83 118.68 124.51 3d29 s LEU 14 Ca -0.14 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3d29 s LEU 14 Cb -0.17 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3d29 s LEU 14 CO 0.06 0.26 -0.16 0.00 0.23 0.00 0.00 176.35 176.73 3d29 s ALA 15 N -0.20 1.55 -0.03 4.21 0.00 -0.38 -0.81 121.76 126.10 3d29 s ALA 15 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3d29 s ALA 15 Cb -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.41 3d29 s ALA 15 CO 0.03 0.20 0.00 -1.12 0.00 0.00 0.00 175.76 174.88 3d29 s SER 16 N 0.41 0.50 0.53 0.00 0.01 -0.78 -0.88 113.70 113.49 3d29 s SER 16 Ca -0.13 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.91 3d29 s SER 16 Cb -0.15 -0.22 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 3d29 s SER 16 CO 0.05 -0.11 0.95 -1.54 0.41 0.00 0.00 173.24 172.99 3d29 n SER 17 N 4.24 0.84 -0.30 2.44 3.41 -0.35 -1.68 113.62 122.22 3d29 n SER 17 Ca -0.25 0.89 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 3d29 n SER 17 Cb 0.50 -1.36 0.08 0.00 -0.26 0.00 0.00 64.21 63.17 3d29 n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d29 n LYS 18 N -0.50 0.78 -2.80 4.33 5.02 -0.39 -4.64 118.16 119.97 3d29 n LYS 18 Ca 0.12 -0.60 -0.34 0.00 -2.02 0.00 0.00 58.31 55.47 3d29 n LYS 18 Cb 0.44 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 3d29 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d29 s ALA 19 N -2.63 3.07 -0.29 7.82 0.00 -0.43 -1.76 121.76 127.53 3d29 s ALA 19 Ca 0.17 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3d29 s ALA 19 Cb 0.18 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 20.24 3d29 s ALA 19 CO 0.63 0.12 0.13 0.08 0.00 0.00 0.00 175.76 176.72 3d29 s VAL 20 N -2.06 -0.04 -0.10 0.00 1.01 -0.76 -4.90 120.40 113.55 3d29 s VAL 20 Ca 0.60 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 3d29 s VAL 20 Cb -0.11 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3d29 s VAL 20 CO 0.15 -0.72 -0.04 -0.89 0.00 0.00 0.00 175.10 173.60 3d29 s THR 21 N 2.09 3.91 -0.24 3.92 2.01 -1.26 -0.02 115.64 126.04 3d29 s THR 21 Ca 0.09 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 3d29 s THR 21 Cb -0.16 -2.65 0.07 0.00 0.01 0.00 0.00 72.50 69.77 3d29 s THR 21 CO -0.36 0.57 0.01 -0.13 -0.69 0.00 0.00 174.62 174.02 3d29 s ARG 22 N -0.44 1.12 6.33 4.92 1.81 0.64 -4.93 118.95 128.40 3d29 s ARG 22 Ca 0.07 -0.89 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 3d29 s ARG 22 Cb -0.12 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 3d29 s ARG 22 CO 0.02 -0.71 0.00 0.41 -0.68 0.00 0.00 175.30 174.34 3d29 n GLY 23 N 4.80 1.80 0.01 -3.53 0.00 -1.26 -2.08 105.19 104.93 3d29 n GLY 23 Ca -0.08 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3d29 n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3d29 n ILE 24 N 0.00 0.06 -5.23 -0.61 3.06 -1.26 -4.94 119.36 110.44 3d29 n ILE 24 Ca 0.00 -0.06 -0.30 0.00 -2.50 0.00 0.00 62.75 59.89 3d29 n ILE 24 Cb 0.00 0.28 -0.16 0.00 0.54 0.00 0.00 39.64 40.30 3d29 n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 3d29 s SER 25 N -3.25 2.89 -0.43 9.51 0.01 -0.88 -5.09 113.70 116.47 3d29 s SER 25 Ca 0.09 -0.45 -0.23 0.00 1.31 0.00 0.00 55.95 56.67 3d29 s SER 25 Cb 0.17 -0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.06 3d29 s SER 25 CO 0.73 0.30 0.81 -0.69 0.41 0.00 0.00 173.24 174.79 3d29 s VAL 26 N -0.54 4.65 0.07 3.43 1.01 -1.26 -0.26 120.40 127.49 3d29 s VAL 26 Ca 0.08 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 3d29 s VAL 26 Cb -0.10 -4.30 -0.26 0.00 0.00 0.00 0.00 36.38 31.71 3d29 s VAL 26 CO -0.01 -0.65 1.11 -0.07 0.00 0.00 0.00 175.10 175.48 3d29 h LEU 27 N 10.08 0.31 -7.86 3.92 3.38 -0.80 -3.47 115.31 120.86 3d29 h LEU 27 Ca -0.25 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.23 3d29 h LEU 27 Cb 1.09 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.54 3d29 h LEU 27 CO 0.96 1.28 -0.56 -0.75 0.09 0.00 0.00 178.44 179.45 3d29 s LYS 28 N -2.66 0.47 -0.07 1.13 2.20 -1.12 -5.01 119.74 114.67 3d29 s LYS 28 Ca -0.04 -0.57 0.12 0.00 -0.36 0.00 0.00 55.97 55.12 3d29 s LYS 28 Cb 0.08 0.19 0.23 0.00 -1.51 0.00 0.00 37.83 36.81 3d29 s LYS 28 CO 0.86 -0.11 1.11 -0.40 -0.36 0.00 0.00 175.35 176.45 3d29 n ASP 29 N 1.27 1.13 -0.80 1.43 3.85 -1.25 -1.83 116.55 120.36 3d29 n ASP 29 Ca -0.22 -2.61 0.01 0.00 -0.71 0.00 0.00 54.79 51.26 3d29 n ASP 29 Cb 0.56 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 3d29 n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3d29 n SER 30 N -0.50 0.21 -4.72 -1.12 3.41 -1.02 -4.67 113.62 105.21 3d29 n SER 30 Ca 0.09 -1.87 -0.42 0.00 -0.26 0.00 0.00 58.87 56.40 3d29 n SER 30 Cb 0.77 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3d29 n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d29 s ASP 31 N -1.14 6.92 -0.50 4.04 -1.08 -0.72 -4.99 116.67 119.20 3d29 s ASP 31 Ca 0.09 2.24 -0.14 0.00 -0.52 0.00 0.00 52.55 54.22 3d29 s ASP 31 Cb 0.10 -2.59 0.11 0.00 -1.46 0.00 0.00 42.92 39.08 3d29 s ASP 31 CO -0.05 -0.57 0.43 -0.62 0.52 0.00 0.00 175.17 174.89 3d29 s ASP 32 N 0.93 6.07 -1.47 -0.34 3.68 -1.26 -4.28 116.67 120.00 3d29 s ASP 32 Ca 0.61 -1.65 -0.08 0.00 2.13 0.00 0.00 52.55 53.56 3d29 s ASP 32 Cb -0.34 -2.16 -0.03 0.00 -1.45 0.00 0.00 42.92 38.94 3d29 s ASP 32 CO 0.31 -0.75 2.80 0.29 0.13 0.00 0.00 175.17 177.95 3d29 n LYS 33 N 5.17 3.93 -3.73 4.34 5.02 -1.26 -4.87 118.16 126.76 3d29 n LYS 33 Ca -0.12 -2.58 -0.12 0.00 -2.02 0.00 0.00 58.31 53.47 3d29 n LYS 33 Cb 0.41 -2.71 -0.07 0.00 -0.02 0.00 0.00 35.03 32.64 3d29 n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3d29 s THR 34 N 1.00 0.07 -0.02 -0.18 -1.32 -1.26 -2.38 115.64 111.55 3d29 s THR 34 Ca 0.65 -0.61 -0.01 0.00 -1.21 0.00 0.00 61.69 60.50 3d29 s THR 34 Cb 0.19 -0.94 0.02 0.00 -1.51 0.00 0.00 72.50 70.26 3d29 s THR 34 CO -0.07 -0.34 0.05 -0.13 -2.21 0.00 0.00 174.62 171.92 3d29 s ARG 35 N -2.52 0.03 -0.21 7.08 1.81 -0.54 -5.02 118.95 119.58 3d29 s ARG 35 Ca -0.05 0.14 -0.21 0.00 -1.72 0.00 0.00 55.73 53.89 3d29 s ARG 35 Cb -0.01 -0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.39 3d29 s ARG 35 CO -0.03 -0.07 0.64 -1.14 -0.68 0.00 0.00 175.30 174.01 3d29 s GLN 36 N 0.48 4.19 0.09 3.54 0.74 -1.26 -1.74 119.66 125.70 3d29 s GLN 36 Ca -0.04 0.62 0.13 0.00 0.05 0.00 0.00 55.36 56.12 3d29 s GLN 36 Cb -0.05 -3.60 -0.14 0.00 1.10 0.00 0.00 33.01 30.32 3d29 s GLN 36 CO -0.02 -0.29 0.99 -0.07 -0.55 0.00 0.00 175.29 175.35 3d29 h LEU 37 N 8.38 0.00 -7.39 3.68 3.38 -1.51 -3.47 115.31 118.39 3d29 h LEU 37 Ca -0.30 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.81 3d29 h LEU 37 Cb 1.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 3d29 h LEU 37 CO 0.78 0.75 0.47 -0.94 0.09 0.00 0.00 178.44 179.59 3d29 s SER 38 N -6.17 -0.27 0.58 -0.43 1.04 -1.16 -4.15 113.70 103.15 3d29 s SER 38 Ca -0.01 -0.23 0.31 0.00 0.48 0.00 0.00 55.95 56.49 3d29 s SER 38 Cb 0.09 0.46 1.36 0.00 0.10 0.00 0.00 66.02 68.03 3d29 s SER 38 CO 0.80 -0.81 1.72 1.55 0.98 0.00 0.00 173.24 177.48 3d29 h PRO 39 N 2.00 0.00 0.00 4.02 0.13 -2.01 -1.79 132.00 134.35 3d29 h PRO 39 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 3d29 h PRO 39 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3d29 h PRO 39 CO 0.28 0.00 -0.20 0.72 -0.23 0.00 0.00 178.00 178.57 3d29 n HIS 40 N -3.69 0.00 -3.67 1.56 8.25 -1.26 -3.54 115.22 112.87 3d29 n HIS 40 Ca 0.17 -1.01 -0.20 0.00 -0.26 0.00 0.00 57.72 56.42 3d29 n HIS 40 Cb 1.05 -0.16 -0.18 0.00 1.12 0.00 0.00 29.99 31.82 3d29 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d29 s THR 41 N -2.62 -0.12 -0.04 1.59 2.01 -0.68 -0.59 115.64 115.21 3d29 s THR 41 Ca 0.31 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.80 3d29 s THR 41 Cb 0.28 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.61 3d29 s THR 41 CO -0.00 0.18 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.63 3d29 s LEU 42 N 2.18 2.08 -0.08 4.42 2.96 0.10 -1.15 118.68 129.19 3d29 s LEU 42 Ca 0.05 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3d29 s LEU 42 Cb -0.12 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.21 3d29 s LEU 42 CO -0.03 0.29 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.78 3d29 s MET 43 N -0.42 2.35 0.18 1.98 -2.45 -0.71 0.12 119.30 120.34 3d29 s MET 43 Ca 0.04 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.89 3d29 s MET 43 Cb -0.12 -1.84 -0.04 0.00 1.25 0.00 0.00 34.83 34.08 3d29 s MET 43 CO 0.01 0.12 0.11 -1.54 1.05 0.00 0.00 175.02 174.77 3d29 s SER 44 N 0.46 5.32 0.06 1.11 1.04 -0.31 -1.46 113.70 119.91 3d29 s SER 44 Ca -0.16 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 55.89 3d29 s SER 44 Cb -0.16 -1.32 0.03 0.00 0.10 0.00 0.00 66.02 64.66 3d29 s SER 44 CO 0.06 0.06 0.37 0.72 0.98 0.00 0.00 173.24 175.43 3d29 s PHE 45 N -1.80 -0.19 0.00 5.02 -0.12 -1.00 -1.80 117.98 118.09 3d29 s PHE 45 Ca 0.30 0.06 -0.18 0.00 -0.05 0.00 0.00 56.93 57.06 3d29 s PHE 45 Cb -0.10 0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.50 3d29 s PHE 45 CO 0.22 -0.57 0.39 0.00 -0.05 0.00 0.00 175.22 175.21 3d29 s ALA 46 N -2.79 -0.97 0.00 1.99 0.00 -0.64 -4.88 121.76 114.47 3d29 s ALA 46 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3d29 s ALA 46 Cb -0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3d29 s ALA 46 CO -0.05 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3d29 n GLY 47 N 0.94 0.15 3.78 0.00 0.00 -1.26 -0.35 105.19 108.44 3d29 n GLY 47 Ca -0.20 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 3d29 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d29 s GLU 48 N -2.00 4.14 0.29 1.61 2.56 0.17 -4.88 118.70 120.58 3d29 s GLU 48 Ca 0.00 2.53 0.08 0.00 0.00 0.00 0.00 54.97 57.58 3d29 s GLU 48 Cb 0.00 -2.99 0.86 0.00 2.00 0.00 0.00 34.13 34.01 3d29 s GLU 48 CO 0.00 -0.51 1.40 0.00 -0.56 0.00 0.00 175.26 175.59 3d29 n ALA 49 N 0.68 0.61 -0.10 6.30 0.00 -1.26 -2.48 120.51 124.27 3d29 n ALA 49 Ca 0.02 0.94 -0.14 0.00 0.00 0.00 0.00 53.44 54.26 3d29 n ALA 49 Cb 0.39 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 3d29 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d29 n GLY 50 N -1.37 -0.40 0.37 0.00 0.00 -1.26 -4.57 105.19 97.95 3d29 n GLY 50 Ca 0.25 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3d29 n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d29 h ASP 51 N 0.00 0.79 -0.17 1.61 3.32 -1.88 -3.02 116.42 117.06 3d29 h ASP 51 Ca -0.48 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.64 3d29 h ASP 51 Cb 1.81 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.22 3d29 h ASP 51 CO -0.06 0.40 -0.19 0.74 -1.72 0.00 0.00 179.24 178.41 3d29 h THR 52 N 0.83 0.00 -0.31 0.35 2.02 -1.73 0.19 112.91 114.26 3d29 h THR 52 Ca 0.48 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.49 3d29 h THR 52 Cb 0.64 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3d29 h THR 52 CO -0.25 0.00 -0.49 0.58 0.37 0.00 0.00 175.52 175.73 3d29 h VAL 53 N -0.11 1.27 -0.92 3.16 2.07 -1.85 -2.23 116.25 117.65 3d29 h VAL 53 Ca 0.03 -1.67 0.09 0.00 0.82 0.00 0.00 66.70 65.97 3d29 h VAL 53 Cb 0.19 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3d29 h VAL 53 CO -0.22 0.55 0.59 1.56 0.02 0.00 0.00 177.57 180.07 3d29 h GLN 54 N 0.68 0.93 -0.02 1.57 1.08 -1.40 0.07 115.11 118.02 3d29 h GLN 54 Ca 0.03 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 3d29 h GLN 54 Cb 1.10 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3d29 h GLN 54 CO 0.11 0.61 -0.25 0.35 -0.95 0.00 0.00 178.83 178.71 3d29 h PHE 55 N 0.95 0.29 -0.40 2.96 3.04 -0.89 -1.92 116.94 120.98 3d29 h PHE 55 Ca 0.42 -0.14 0.03 0.00 3.98 0.00 0.00 57.97 62.26 3d29 h PHE 55 Cb 0.35 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 3d29 h PHE 55 CO -0.00 0.90 0.19 0.00 -2.02 0.00 0.00 178.31 177.39 3d29 h ALA 56 N 0.32 0.49 -0.31 2.41 0.00 -1.00 -1.11 119.26 120.07 3d29 h ALA 56 Ca -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3d29 h ALA 56 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3d29 h ALA 56 CO 0.05 -0.17 -0.29 0.93 0.00 0.00 0.00 179.25 179.77 3d29 h GLU 57 N 0.40 0.65 -0.79 0.00 5.08 -1.08 -0.13 114.58 118.70 3d29 h GLU 57 Ca 0.17 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3d29 h GLU 57 Cb 0.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3d29 h GLU 57 CO -0.12 0.86 0.40 -0.92 -1.00 0.00 0.00 179.01 178.24 3d29 h TYR 58 N 0.56 1.11 -0.18 4.33 3.20 -0.92 -0.40 116.97 124.66 3d29 h TYR 58 Ca 0.07 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3d29 h TYR 58 Cb 0.78 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3d29 h TYR 58 CO 0.03 0.79 -0.33 0.82 -1.64 0.00 0.00 178.16 177.84 3d29 h ILE 59 N 1.10 1.34 -0.36 1.81 2.04 -0.92 -2.65 117.51 119.86 3d29 h ILE 59 Ca 0.27 -1.57 0.07 0.00 1.00 0.00 0.00 64.86 64.64 3d29 h ILE 59 Cb 0.08 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 3d29 h ILE 59 CO -0.04 0.48 -0.10 -0.61 0.00 0.00 0.00 178.15 177.88 3d29 h GLN 60 N 0.19 -0.02 -0.78 2.37 4.15 -0.75 -0.08 115.11 120.20 3d29 h GLN 60 Ca 0.01 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.55 3d29 h GLN 60 Cb 0.92 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.54 3d29 h GLN 60 CO 0.07 -0.01 0.39 0.00 -1.93 0.00 0.00 178.83 177.35 3d29 h ALA 61 N 1.33 1.12 -0.42 3.38 0.00 -1.02 -0.27 119.26 123.38 3d29 h ALA 61 Ca 0.18 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 3d29 h ALA 61 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3d29 h ALA 61 CO -0.38 -0.07 -0.31 -0.91 0.00 0.00 0.00 179.25 177.58 3d29 h ASN 62 N 0.61 1.00 -0.43 0.00 4.21 -0.75 -1.11 115.58 119.09 3d29 h ASN 62 Ca 0.40 -0.44 -0.14 0.00 1.21 0.00 0.00 56.30 57.34 3d29 h ASN 62 Cb 0.51 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 3d29 h ASN 62 CO -0.32 1.22 -0.28 0.40 -1.29 0.00 0.00 177.43 177.16 3d29 h ILE 63 N 0.79 1.27 -0.66 2.81 1.08 -0.53 -0.85 117.51 121.41 3d29 h ILE 63 Ca 0.08 -1.45 -0.07 0.00 -0.39 0.00 0.00 64.86 63.03 3d29 h ILE 63 Cb 0.90 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 3d29 h ILE 63 CO 0.08 0.49 0.13 1.56 -0.69 0.00 0.00 178.15 179.72 3d29 h GLN 64 N 0.82 1.07 -0.50 2.37 4.20 -1.02 -0.05 115.11 121.99 3d29 h GLN 64 Ca 0.09 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3d29 h GLN 64 Cb 0.86 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 3d29 h GLN 64 CO 0.08 0.96 0.29 1.25 -0.67 0.00 0.00 178.83 180.74 3d29 h LEU 65 N 1.01 0.62 -0.70 1.46 5.85 -0.99 -0.81 115.31 121.75 3d29 h LEU 65 Ca 0.20 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3d29 h LEU 65 Cb 0.40 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3d29 h LEU 65 CO 0.01 0.51 0.42 0.22 -0.34 0.00 0.00 178.44 179.26 3d29 h TYR 66 N 0.67 0.92 -0.22 1.25 3.20 -0.67 -1.69 116.97 120.43 3d29 h TYR 66 Ca 0.18 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3d29 h TYR 66 Cb 0.02 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 3d29 h TYR 66 CO -0.02 0.62 0.06 0.77 -1.64 0.00 0.00 178.16 177.95 3d29 h SER 67 N 0.95 0.05 0.20 -2.11 0.02 -0.37 -0.79 113.55 111.50 3d29 h SER 67 Ca 0.25 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3d29 h SER 67 Cb -0.03 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3d29 h SER 67 CO -0.05 0.06 -0.10 0.40 -1.14 0.00 0.00 176.83 176.01 3d29 h ILE 68 N 0.16 0.86 -0.89 3.27 1.08 -0.99 0.69 117.51 121.68 3d29 h ILE 68 Ca 0.10 -0.29 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3d29 h ILE 68 Cb 0.08 1.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 3d29 h ILE 68 CO -0.12 0.07 0.57 -0.09 -0.69 0.00 0.00 178.15 177.89 3d29 h ARG 69 N -0.41 1.05 -0.01 2.37 2.43 -1.20 -2.91 114.38 115.69 3d29 h ARG 69 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3d29 h ARG 69 Cb 0.32 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3d29 h ARG 69 CO 0.05 0.69 -0.66 0.39 -1.51 0.00 0.00 179.97 178.93 3d29 n GLU 70 N -4.55 0.71 -3.98 0.20 4.71 -0.31 -4.97 120.64 112.44 3d29 n GLU 70 Ca 0.12 -0.58 -0.29 0.00 -0.01 0.00 0.00 57.16 56.40 3d29 n GLU 70 Cb 0.13 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.05 3d29 n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3d29 n ASP 71 N -0.64 -1.16 -3.44 1.62 4.64 0.24 -4.93 116.55 112.88 3d29 n ASP 71 Ca 0.07 -1.08 -0.12 0.00 -1.38 0.00 0.00 54.79 52.28 3d29 n ASP 71 Cb 0.41 -2.75 -0.02 0.00 -1.04 0.00 0.00 41.12 37.72 3d29 n ASP 71 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3d29 s TYR 72 N -3.92 -0.54 -0.23 -0.67 5.04 -1.13 -5.06 117.35 110.84 3d29 s TYR 72 Ca 0.11 0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 55.10 3d29 s TYR 72 Cb -0.05 0.54 -0.02 0.00 0.35 0.00 0.00 41.96 42.79 3d29 s TYR 72 CO 0.91 -0.81 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.31 3d29 s GLU 73 N -3.44 3.48 0.50 4.97 2.12 -1.26 -4.22 118.70 120.85 3d29 s GLU 73 Ca -0.00 -0.57 -0.23 0.00 0.36 0.00 0.00 54.97 54.53 3d29 s GLU 73 Cb -0.01 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 3d29 s GLU 73 CO -0.10 -0.18 1.33 -0.51 -0.54 0.00 0.00 175.26 175.26 3d29 s LEU 74 N 1.49 3.95 0.82 2.70 1.43 -1.26 -4.97 118.68 122.84 3d29 s LEU 74 Ca 0.06 2.70 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 3d29 s LEU 74 Cb -0.15 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 41.98 3d29 s LEU 74 CO -0.01 -1.33 1.15 -0.94 0.23 0.00 0.00 176.35 175.44 3d29 s SER 75 N -0.94 3.73 0.39 2.29 1.04 -1.26 -4.78 113.70 114.17 3d29 s SER 75 Ca 0.67 2.13 0.07 0.00 0.48 0.00 0.00 55.95 59.31 3d29 s SER 75 Cb -0.39 -2.56 0.79 0.00 0.10 0.00 0.00 66.02 63.96 3d29 s SER 75 CO 0.47 -2.56 1.98 -0.65 0.98 0.00 0.00 173.24 173.45 3d29 h PRO 76 N -1.20 0.43 -0.58 4.02 0.11 -1.92 -1.35 132.00 131.50 3d29 h PRO 76 Ca -0.44 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3d29 h PRO 76 Cb 1.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3d29 h PRO 76 CO 0.47 0.40 0.23 0.37 -0.21 0.00 0.00 178.00 179.25 3d29 h GLN 77 N 0.43 0.87 -0.61 1.05 -0.00 -1.99 -0.45 115.11 114.41 3d29 h GLN 77 Ca 0.10 -0.16 -0.10 0.00 -0.00 0.00 0.00 58.65 58.50 3d29 h GLN 77 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 3d29 h GLN 77 CO -0.00 0.75 0.00 0.00 0.00 0.00 0.00 178.83 179.58 3d29 h ALA 78 N 1.08 0.82 -0.22 3.38 0.00 -1.75 -1.64 119.26 120.94 3d29 h ALA 78 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3d29 h ALA 78 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d29 h ALA 78 CO -0.02 0.66 -0.00 0.28 0.00 0.00 0.00 179.25 180.17 3d29 h VAL 79 N 0.97 1.25 -0.48 0.00 2.07 -0.96 -1.49 116.25 117.62 3d29 h VAL 79 Ca 0.17 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3d29 h VAL 79 Cb 0.56 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3d29 h VAL 79 CO 0.03 0.27 0.26 0.77 0.02 0.00 0.00 177.57 178.92 3d29 h SER 80 N 0.15 0.58 -0.38 0.57 4.64 -1.01 -0.27 113.55 117.82 3d29 h SER 80 Ca 0.06 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 3d29 h SER 80 Cb 0.40 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3d29 h SER 80 CO 0.01 0.47 -0.21 0.28 -0.87 0.00 0.00 176.83 176.51 3d29 h SER 81 N 0.66 0.89 -0.61 4.97 0.02 -0.98 -0.15 113.55 118.36 3d29 h SER 81 Ca 0.17 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3d29 h SER 81 Cb 0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3d29 h SER 81 CO -0.03 1.07 0.24 0.15 -1.14 0.00 0.00 176.83 177.12 3d29 h PHE 82 N 0.76 0.93 -0.42 3.45 3.04 -0.24 -1.51 116.94 122.95 3d29 h PHE 82 Ca 0.10 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 3d29 h PHE 82 Cb 0.76 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 3d29 h PHE 82 CO 0.04 0.75 0.15 0.28 -2.02 0.00 0.00 178.31 177.51 3d29 h VAL 83 N 0.85 1.21 -0.66 1.41 2.07 -0.77 -1.82 116.25 118.54 3d29 h VAL 83 Ca 0.20 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3d29 h VAL 83 Cb 0.21 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3d29 h VAL 83 CO -0.02 0.24 0.41 -0.09 0.02 0.00 0.00 177.57 178.13 3d29 h ARG 84 N 0.54 0.89 -0.24 1.57 2.43 -0.82 -1.76 114.38 116.99 3d29 h ARG 84 Ca 0.14 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3d29 h ARG 84 Cb 0.22 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3d29 h ARG 84 CO -0.01 0.62 0.07 0.37 -1.51 0.00 0.00 179.97 179.52 3d29 h GLN 85 N 0.89 0.18 -0.84 0.20 4.15 -1.01 0.14 115.11 118.82 3d29 h GLN 85 Ca 0.24 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.68 3d29 h GLN 85 Cb -0.04 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 3d29 h GLN 85 CO -0.05 0.12 0.54 0.93 -1.93 0.00 0.00 178.83 178.44 3d29 h GLU 86 N 0.18 1.02 -0.30 1.69 4.39 -0.95 -1.41 114.58 119.20 3d29 h GLU 86 Ca 0.11 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 3d29 h GLU 86 Cb 0.08 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3d29 h GLU 86 CO -0.12 0.67 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.88 3d29 h LEU 87 N 1.05 0.86 -1.37 1.33 3.38 -0.89 -2.02 115.31 117.65 3d29 h LEU 87 Ca 0.33 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3d29 h LEU 87 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3d29 h LEU 87 CO -0.11 1.19 0.18 0.00 0.09 0.00 0.00 178.44 179.78 3d29 h ALA 88 N 0.84 1.51 -0.05 1.53 0.00 -0.22 -0.55 119.26 122.32 3d29 h ALA 88 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3d29 h ALA 88 Cb 1.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3d29 h ALA 88 CO 0.10 0.39 -0.01 0.87 0.00 0.00 0.00 179.25 180.60 3d29 h LYS 89 N 0.61 0.09 -0.64 0.00 1.57 -1.09 -3.24 116.57 113.87 3d29 h LYS 89 Ca 0.15 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.03 3d29 h LYS 89 Cb 0.11 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.31 3d29 h LYS 89 CO -0.02 0.43 0.07 1.03 -0.57 0.00 0.00 179.45 180.40 3d29 h SER 90 N -0.25 -0.14 -0.48 0.86 0.87 -0.57 -2.41 113.55 111.42 3d29 h SER 90 Ca 0.01 0.14 0.14 0.00 -1.23 0.00 0.00 61.79 60.85 3d29 h SER 90 Cb 0.40 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3d29 h SER 90 CO 0.00 -0.07 0.42 -0.29 -0.53 0.00 0.00 176.83 176.37 3d29 h ILE 90 N 0.19 0.53 -0.36 2.23 6.09 -1.16 -0.34 117.51 124.69 3d29 h ILE 90 Ca 0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 3d29 h ILE 90 Cb 0.55 0.69 0.00 0.00 0.47 0.00 0.00 36.82 38.53 3d29 h ILE 90 CO -0.49 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.13 3d29 n ARG 90 N -4.02 3.03 -2.36 2.19 1.74 -0.92 -4.85 116.66 111.46 3d29 n ARG 90 Ca 0.09 -2.48 -0.26 0.00 -0.77 0.00 0.00 57.85 54.43 3d29 n ARG 90 Cb 0.62 -1.58 0.15 0.00 -1.02 0.00 0.00 32.46 30.63 3d29 n ARG 90 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3d29 s SER 91 N -1.34 3.75 0.07 0.55 1.04 -0.14 -5.01 113.70 112.63 3d29 s SER 91 Ca 0.35 -0.22 -0.33 0.00 0.48 0.00 0.00 55.95 56.23 3d29 s SER 91 Cb 0.23 0.03 -0.19 0.00 0.10 0.00 0.00 66.02 66.20 3d29 s SER 91 CO 0.15 -2.28 1.63 -0.09 0.98 0.00 0.00 173.24 173.62 3d29 h ARG 92 N -1.00 -0.86 -3.69 4.02 2.43 -1.94 -3.37 114.38 109.96 3d29 h ARG 92 Ca -0.38 0.06 -0.63 0.00 -0.81 0.00 0.00 59.98 58.22 3d29 h ARG 92 Cb 1.25 0.20 -0.40 0.00 -0.42 0.00 0.00 29.97 30.59 3d29 h ARG 92 CO 0.37 -0.58 -0.70 0.50 -1.51 0.00 0.00 179.97 178.05 3d29 s ARG 93 N -6.05 1.47 0.57 0.20 3.52 -1.26 -5.11 118.95 112.29 3d29 s ARG 93 Ca -0.18 -2.02 -0.21 0.00 -0.13 0.00 0.00 55.73 53.20 3d29 s ARG 93 Cb 0.03 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 3d29 s ARG 93 CO 0.62 -1.05 1.35 -2.14 -0.81 0.00 0.00 175.30 173.26 3d29 s PRO 94 N 0.50 2.98 -0.01 5.12 0.02 -1.25 -4.97 135.00 137.40 3d29 s PRO 94 Ca 0.14 2.21 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 3d29 s PRO 94 Cb -0.22 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 3d29 s PRO 94 CO -0.06 -1.31 1.16 0.71 -0.33 0.00 0.00 177.00 177.18 3d29 s TYR 95 N -1.32 3.36 -1.05 6.54 2.02 -1.26 -4.95 117.35 120.69 3d29 s TYR 95 Ca 0.75 1.33 -0.06 0.00 -0.37 0.00 0.00 57.07 58.72 3d29 s TYR 95 Cb -0.40 -3.37 0.28 0.00 -0.40 0.00 0.00 41.96 38.07 3d29 s TYR 95 CO 0.46 -1.08 1.16 1.04 -1.57 0.00 0.00 175.55 175.56 3d29 n GLN 96 N 4.55 3.65 -4.00 -0.62 6.02 -1.26 -4.84 117.38 120.88 3d29 n GLN 96 Ca 0.09 -4.50 -0.15 0.00 -0.01 0.00 0.00 57.00 52.43 3d29 n GLN 96 Cb 0.47 -2.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.08 3d29 n GLN 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3d29 s VAL 97 N -1.84 0.21 0.04 5.09 1.01 -1.26 -0.66 120.40 122.99 3d29 s VAL 97 Ca 0.31 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.28 3d29 s VAL 97 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 3d29 s VAL 97 CO -0.03 0.08 -0.14 0.20 0.00 0.00 0.00 175.10 175.22 3d29 s ASN 98 N 0.20 4.09 0.06 3.32 0.01 0.52 -2.25 114.94 120.89 3d29 s ASN 98 Ca -0.02 -0.35 -0.06 0.00 -0.71 0.00 0.00 52.86 51.72 3d29 s ASN 98 Cb -0.04 -0.76 -0.01 0.00 0.41 0.00 0.00 41.25 40.85 3d29 s ASN 98 CO -0.01 0.25 0.12 0.68 -1.51 0.00 0.00 177.10 176.63 3d29 s VAL 99 N -0.99 0.15 -0.06 1.60 -7.23 0.40 -1.62 120.40 112.65 3d29 s VAL 99 Ca 0.16 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.12 3d29 s VAL 99 Cb -0.11 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 3d29 s VAL 99 CO 0.07 -0.70 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.16 3d29 s LEU 100 N -2.60 2.05 -0.23 1.32 1.43 -0.74 -1.42 118.68 118.50 3d29 s LEU 100 Ca 0.02 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3d29 s LEU 100 Cb 0.03 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.95 3d29 s LEU 100 CO -0.08 0.22 -0.12 -0.63 0.23 0.00 0.00 176.35 175.96 3d29 s ILE 101 N -0.05 2.41 -0.23 -0.59 1.01 0.74 -1.16 121.20 123.32 3d29 s ILE 101 Ca -0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 59.42 3d29 s ILE 101 Cb -0.14 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3d29 s ILE 101 CO 0.04 0.27 -0.05 -0.83 0.00 0.00 0.00 174.94 174.37 3d29 s GLY 102 N 1.26 1.61 0.07 6.18 0.00 0.12 -0.50 107.32 116.06 3d29 s GLY 102 Ca -0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 3d29 s GLY 102 CO -0.08 0.45 0.00 -0.32 0.00 0.00 0.00 173.10 173.16 3d29 s GLY 103 N 1.43 0.59 -0.27 0.20 0.00 -0.41 0.03 107.32 108.88 3d29 s GLY 103 Ca 0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 3d29 s GLY 103 CO -0.04 -1.31 -0.02 -0.47 0.00 0.00 0.00 173.10 171.26 3d29 s TYR 104 N -3.95 3.14 0.00 1.90 6.14 0.24 -0.06 117.35 124.76 3d29 s TYR 104 Ca 0.11 -1.55 0.00 0.00 0.64 0.00 0.00 57.07 56.27 3d29 s TYR 104 Cb 0.08 -2.11 0.00 0.00 0.42 0.00 0.00 41.96 40.35 3d29 s TYR 104 CO -0.07 -0.73 0.00 -3.47 0.64 0.00 0.00 175.55 171.92 3d29 n ASP 105 N 4.69 0.00 0.00 4.32 4.64 -0.48 -4.86 116.55 124.87 3d29 n ASP 105 Ca -0.15 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.26 3d29 n ASP 105 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 3d29 n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3d29 n LYS 10 N 0.00 0.00 -3.41 -0.67 5.02 -1.26 -2.81 118.16 115.04 3d29 n LYS 10 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 3d29 n LYS 10 Cb 0.00 -1.95 0.06 0.00 -0.02 0.00 0.00 35.03 33.13 3d29 n LYS 10 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3d29 n ASN 106 N 0.00 -5.39 -3.71 4.39 3.02 -1.26 -5.03 115.26 107.28 3d29 n ASN 106 Ca 0.00 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.63 3d29 n ASN 106 Cb 0.00 -4.69 -0.09 0.00 -0.61 0.00 0.00 39.78 34.38 3d29 n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3d29 s LYS 107 N -4.99 0.61 0.43 3.52 1.02 -1.12 -5.08 119.74 114.14 3d29 s LYS 107 Ca 0.38 0.37 -0.19 0.00 0.02 0.00 0.00 55.97 56.54 3d29 s LYS 107 Cb -0.07 0.29 -0.10 0.00 -0.52 0.00 0.00 37.83 37.43 3d29 s LYS 107 CO 0.77 -0.12 0.92 -1.25 -0.92 0.00 0.00 175.35 174.76 3d29 s PRO 108 N -0.32 4.14 0.00 -1.68 0.04 -1.26 -1.38 135.00 134.53 3d29 s PRO 108 Ca -0.05 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.01 3d29 s PRO 108 Cb -0.03 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 3d29 s PRO 108 CO 0.03 -0.05 -0.02 -1.21 0.04 0.00 0.00 177.00 175.78 3d29 s GLU 109 N -3.34 0.17 -0.10 4.56 2.02 0.91 -4.92 118.70 118.00 3d29 s GLU 109 Ca 0.60 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.47 3d29 s GLU 109 Cb -0.09 -0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.02 3d29 s GLU 109 CO 0.17 0.03 -0.11 -1.17 0.02 0.00 0.00 175.26 174.21 3d29 s LEU 110 N -0.20 1.47 -0.06 1.80 2.96 -1.26 -1.29 118.68 122.10 3d29 s LEU 110 Ca -0.01 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3d29 s LEU 110 Cb -0.02 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 3d29 s LEU 110 CO -0.00 -0.04 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.46 3d29 s TYR 111 N 1.26 2.54 -0.16 5.38 2.02 0.35 -1.89 117.35 126.84 3d29 s TYR 111 Ca -0.03 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3d29 s TYR 111 Cb -0.14 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 3d29 s TYR 111 CO -0.04 -0.10 -0.08 -1.14 -1.57 0.00 0.00 175.55 172.62 3d29 s GLN 112 N -0.29 3.45 -0.04 -0.62 0.74 0.25 -0.19 119.66 122.97 3d29 s GLN 112 Ca 0.01 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 3d29 s GLN 112 Cb -0.13 -2.81 0.03 0.00 1.10 0.00 0.00 33.01 31.20 3d29 s GLN 112 CO 0.03 0.09 0.02 0.42 -0.55 0.00 0.00 175.29 175.29 3d29 s ILE 113 N 0.71 0.11 0.59 -2.34 1.01 -0.50 -1.39 121.20 119.39 3d29 s ILE 113 Ca -0.04 0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.86 3d29 s ILE 113 Cb -0.15 -0.27 0.08 0.00 0.01 0.00 0.00 42.46 42.13 3d29 s ILE 113 CO 0.02 0.17 0.82 1.51 0.00 0.00 0.00 174.94 177.46 3d29 s ASP 114 N 1.55 4.99 0.31 3.58 3.84 -0.95 -0.45 116.67 129.53 3d29 s ASP 114 Ca -0.03 -0.47 0.22 0.00 -0.00 0.00 0.00 52.55 52.27 3d29 s ASP 114 Cb -0.13 -0.17 1.12 0.00 -1.38 0.00 0.00 42.92 42.36 3d29 s ASP 114 CO -0.03 -1.37 1.66 0.00 -0.00 0.00 0.00 175.17 175.43 3d29 n TYR 115 N -2.38 0.74 0.71 2.11 0.18 -0.95 -1.41 117.16 116.16 3d29 n TYR 115 Ca 0.13 0.37 0.13 0.00 1.88 0.00 0.00 57.90 60.40 3d29 n TYR 115 Cb 0.60 -1.09 0.37 0.00 -0.38 0.00 0.00 39.34 38.85 3d29 n TYR 115 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3d29 n LEU 116 N -2.25 0.62 0.00 -3.48 4.77 -1.26 -4.53 117.00 110.87 3d29 n LEU 116 Ca -0.01 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3d29 n LEU 116 Cb 0.07 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3d29 n LEU 116 CO 0.12 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3d29 n GLY 117 N 1.36 1.19 3.59 -0.72 0.00 -0.50 -4.40 105.19 105.72 3d29 n GLY 117 Ca 0.05 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3d29 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d29 s THR 118 N -2.00 4.71 -0.07 2.61 2.01 -1.25 -4.85 115.64 116.80 3d29 s THR 118 Ca 0.00 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.04 3d29 s THR 118 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 3d29 s THR 118 CO 0.00 -0.42 -0.18 -0.75 -0.69 0.00 0.00 174.62 172.58 3d29 s LYS 119 N 3.15 2.74 -0.06 4.92 2.20 -1.26 -2.24 119.74 129.19 3d29 s LYS 119 Ca 0.33 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 55.07 3d29 s LYS 119 Cb -0.13 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.85 3d29 s LYS 119 CO 0.16 0.44 0.25 0.54 -0.36 0.00 0.00 175.35 176.38 3d29 s VAL 120 N -0.26 0.03 -0.18 4.02 0.11 -0.49 -4.99 120.40 118.64 3d29 s VAL 120 Ca 0.01 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 58.71 3d29 s VAL 120 Cb -0.13 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 3d29 s VAL 120 CO 0.03 -0.14 0.12 -0.70 -3.33 0.00 0.00 175.10 171.08 3d29 s GLU 121 N -0.53 4.04 0.07 1.54 -6.30 -1.26 -0.58 118.70 115.69 3d29 s GLU 121 Ca -0.06 -0.23 -0.07 0.00 -2.50 0.00 0.00 54.97 52.11 3d29 s GLU 121 Cb -0.04 -3.35 -0.01 0.00 0.00 0.00 0.00 34.13 30.73 3d29 s GLU 121 CO 0.02 0.37 0.14 -0.51 0.02 0.00 0.00 175.26 175.29 3d29 s LEU 122 N 0.15 1.67 0.39 2.70 1.43 -0.79 -5.00 118.68 119.23 3d29 s LEU 122 Ca 0.08 -0.70 0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3d29 s LEU 122 Cb -0.11 0.82 0.81 0.00 0.03 0.00 0.00 46.19 47.74 3d29 s LEU 122 CO -0.01 -0.68 1.84 -0.65 0.23 0.00 0.00 176.35 177.09 3d29 h PRO 123 N 2.94 0.00 -1.99 1.29 0.11 -1.89 -3.39 132.00 129.07 3d29 h PRO 123 Ca -0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 3d29 h PRO 123 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.09 3d29 h PRO 123 CO 0.57 0.34 0.17 1.52 -0.21 0.00 0.00 178.00 180.40 3d29 s TYR 124 N -4.10 -0.72 0.23 0.65 1.13 -1.26 0.71 117.35 113.99 3d29 s TYR 124 Ca -0.02 1.55 -0.10 0.00 -1.41 0.00 0.00 57.07 57.09 3d29 s TYR 124 Cb 0.14 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 3d29 s TYR 124 CO 0.70 -0.48 0.39 0.20 -2.51 0.00 0.00 175.55 173.85 3d29 s GLY 125 N -0.32 0.73 -0.05 5.49 0.00 0.57 -4.98 107.32 108.76 3d29 s GLY 125 Ca -0.05 -1.06 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 3d29 s GLY 125 CO 0.05 -0.82 0.71 0.00 0.00 0.00 0.00 173.10 173.04 3d29 s ALA 126 N -4.05 -1.78 0.09 3.20 0.00 -1.26 -0.97 121.76 117.00 3d29 s ALA 126 Ca 0.26 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.61 3d29 s ALA 126 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3d29 s ALA 126 CO 0.09 -0.38 -0.19 -1.01 0.00 0.00 0.00 175.76 174.27 3d29 s HIS 127 N -1.29 2.52 0.00 0.00 3.76 -0.98 -4.71 115.29 114.60 3d29 s HIS 127 Ca -0.10 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3d29 s HIS 127 Cb -0.00 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.31 3d29 s HIS 127 CO 0.08 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.71 3d29 n GLY 128 N 1.08 -1.51 0.22 -2.22 0.00 -1.26 -4.21 105.19 97.29 3d29 n GLY 128 Ca -0.16 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.41 3d29 n GLY 128 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3d29 h TYR 129 N 0.00 0.00 -0.78 1.61 0.05 -1.92 -3.27 116.97 112.66 3d29 h TYR 129 Ca 0.00 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.95 3d29 h TYR 129 Cb 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.63 3d29 h TYR 129 CO 0.00 0.21 0.27 0.77 -1.05 0.00 0.00 178.16 178.36 3d29 h SER 130 N 0.00 0.18 -0.82 3.88 0.02 -1.90 0.35 113.55 115.26 3d29 h SER 130 Ca -0.00 0.13 0.24 0.00 -0.84 0.00 0.00 61.79 61.32 3d29 h SER 130 Cb 0.80 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 3d29 h SER 130 CO 0.03 0.02 0.66 1.23 -1.14 0.00 0.00 176.83 177.63 3d29 h GLY 131 N 0.36 0.00 2.00 -3.77 0.00 -1.81 0.22 103.07 100.07 3d29 h GLY 131 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3d29 h GLY 131 CO -0.48 0.00 0.00 0.74 0.00 0.00 0.00 176.54 176.80 3d29 h PHE 132 N 0.00 0.00 0.00 5.60 0.04 -1.16 -2.68 116.94 118.74 3d29 h PHE 132 Ca 0.39 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.04 3d29 h PHE 132 Cb 1.70 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.83 3d29 h PHE 132 CO 0.00 0.00 -1.45 0.66 -0.60 0.00 0.00 178.31 176.92 3d29 n TYR 133 N -2.42 0.00 0.11 -0.55 4.01 0.63 -4.79 117.16 114.15 3d29 n TYR 133 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 3d29 n TYR 133 Cb 0.23 -0.31 0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3d29 n TYR 133 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3d29 h THR 134 N 0.00 1.32 -0.33 -0.72 1.35 -1.24 -3.23 112.91 110.08 3d29 h THR 134 Ca -0.18 -2.60 -0.02 0.00 -0.55 0.00 0.00 66.41 63.06 3d29 h THR 134 Cb 1.29 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 70.17 3d29 h THR 134 CO -0.02 0.70 0.11 -0.26 -0.25 0.00 0.00 175.52 175.80 3d29 h PHE 135 N 0.00 0.52 -0.06 4.73 0.04 -1.71 -1.26 116.94 119.20 3d29 h PHE 135 Ca -0.01 -0.05 -0.15 0.00 2.80 0.00 0.00 57.97 60.57 3d29 h PHE 135 Cb 1.42 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 3d29 h PHE 135 CO 0.00 0.51 -0.63 0.66 -0.60 0.00 0.00 178.31 178.25 3d29 h SER 136 N 0.38 0.24 0.70 2.17 4.64 -1.82 0.09 113.55 119.94 3d29 h SER 136 Ca 0.11 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3d29 h SER 136 Cb 0.23 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3d29 h SER 136 CO -0.01 0.80 -0.46 0.25 -0.87 0.00 0.00 176.83 176.55 3d29 h LEU 137 N 0.15 -1.19 -1.68 5.97 6.46 -1.52 -2.11 115.31 121.39 3d29 h LEU 137 Ca -0.01 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3d29 h LEU 137 Cb 1.14 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 3d29 h LEU 137 CO 0.10 -0.69 -0.17 -0.07 -0.62 0.00 0.00 178.44 176.98 3d29 h LEU 138 N -1.10 0.00 -2.75 2.25 3.38 -1.24 0.13 115.31 115.97 3d29 h LEU 138 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3d29 h LEU 138 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3d29 h LEU 138 CO 0.07 0.17 -0.00 0.44 0.09 0.00 0.00 178.44 179.20 3d29 h ASP 139 N 0.00 0.00 0.00 -0.43 5.19 -0.53 -1.22 116.42 119.43 3d29 h ASP 139 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3d29 h ASP 139 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3d29 h ASP 139 CO 0.02 0.00 -0.84 1.57 -3.12 0.00 0.00 179.24 176.88 3d29 n HIS 140 N -3.32 0.28 0.45 4.55 -0.00 0.24 -4.65 115.22 112.77 3d29 n HIS 140 Ca -0.03 0.12 0.02 0.00 0.46 0.00 0.00 57.72 58.30 3d29 n HIS 140 Cb 0.09 -0.57 0.13 0.00 -0.12 0.00 0.00 29.99 29.51 3d29 n HIS 140 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3d29 n HIS 141 N -4.47 0.65 -4.55 1.57 8.25 -0.07 -4.94 115.22 111.67 3d29 n HIS 141 Ca -0.12 -0.23 -0.34 0.00 -0.26 0.00 0.00 57.72 56.77 3d29 n HIS 141 Cb 0.44 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 3d29 n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3d29 s TYR 142 N -1.58 3.00 -0.01 4.41 5.04 -0.46 -4.96 117.35 122.79 3d29 s TYR 142 Ca 0.18 0.03 0.02 0.00 -2.44 0.00 0.00 57.07 54.86 3d29 s TYR 142 Cb 0.13 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.69 3d29 s TYR 142 CO 0.06 0.33 -0.05 1.03 -1.34 0.00 0.00 175.55 175.57 3d29 s ARG 143 N -0.72 0.51 0.19 4.97 1.81 -1.26 -5.00 118.95 119.45 3d29 s ARG 143 Ca 0.11 -0.19 -0.12 0.00 -1.72 0.00 0.00 55.73 53.81 3d29 s ARG 143 Cb -0.11 -0.50 0.14 0.00 -0.45 0.00 0.00 34.95 34.02 3d29 s ARG 143 CO 0.02 0.09 1.83 -1.35 -0.68 0.00 0.00 175.30 175.21 3d29 h PRO 144 N 6.18 0.71 -0.56 3.54 0.11 -1.98 -3.07 132.00 136.95 3d29 h PRO 144 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3d29 h PRO 144 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3d29 h PRO 144 CO 0.50 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3d29 n ASP 145 N -4.73 1.57 -4.74 -2.05 3.85 -1.26 -2.82 116.55 106.38 3d29 n ASP 145 Ca 0.05 -2.12 -0.34 0.00 -0.71 0.00 0.00 54.79 51.68 3d29 n ASP 145 Cb 0.07 -0.34 0.08 0.00 -1.35 0.00 0.00 41.12 39.58 3d29 n ASP 145 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 3d29 s MET 146 N -1.59 2.33 0.69 0.11 -1.94 -1.16 -4.66 119.30 113.08 3d29 s MET 146 Ca 0.13 1.65 -0.07 0.00 -1.71 0.00 0.00 55.69 55.69 3d29 s MET 146 Cb 0.08 -1.87 0.05 0.00 2.01 0.00 0.00 34.83 35.10 3d29 s MET 146 CO 0.06 -1.66 1.00 0.95 -0.01 0.00 0.00 175.02 175.36 3d29 s THR 147 N -2.09 2.57 0.22 2.05 -4.23 -1.26 -1.18 115.64 111.72 3d29 s THR 147 Ca 0.72 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 3d29 s THR 147 Cb -0.26 -3.10 0.18 0.00 1.34 0.00 0.00 72.50 70.66 3d29 s THR 147 CO 0.44 -0.11 1.84 0.74 -0.54 0.00 0.00 174.62 176.99 3d29 h THR 148 N -0.54 1.25 -0.87 3.99 2.02 -1.96 -0.28 112.91 116.52 3d29 h THR 148 Ca -0.45 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 3d29 h THR 148 Cb 1.30 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3d29 h THR 148 CO 0.61 0.28 0.43 -0.08 0.37 0.00 0.00 175.52 177.13 3d29 h GLU 149 N 1.18 1.24 -0.67 6.66 4.57 -2.00 -0.90 114.58 124.66 3d29 h GLU 149 Ca 0.30 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 3d29 h GLU 149 Cb 0.03 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 3d29 h GLU 149 CO -0.05 0.94 0.13 0.93 -1.18 0.00 0.00 179.01 179.78 3d29 h GLU 150 N 1.23 1.08 -0.35 1.92 5.08 -1.72 -2.58 114.58 119.25 3d29 h GLU 150 Ca 0.30 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3d29 h GLU 150 Cb 0.10 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3d29 h GLU 150 CO -0.04 0.97 0.22 0.78 -1.00 0.00 0.00 179.01 179.94 3d29 h GLY 151 N 1.06 0.50 1.97 -3.84 0.00 -0.25 -0.59 103.07 101.92 3d29 h GLY 151 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d29 h GLY 151 CO 0.01 0.20 0.02 1.41 0.00 0.00 0.00 176.54 178.17 3d29 h LEU 152 N 0.46 0.04 -0.20 3.11 3.38 -0.93 -0.01 115.31 121.16 3d29 h LEU 152 Ca 0.13 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 3d29 h LEU 152 Cb -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3d29 h LEU 152 CO -0.02 0.03 -0.93 0.44 0.09 0.00 0.00 178.44 178.05 3d29 h ASP 153 N 0.04 0.50 -0.40 -0.43 3.45 -1.01 -1.47 116.42 117.10 3d29 h ASP 153 Ca 0.01 -0.39 -0.03 0.00 0.43 0.00 0.00 57.03 57.04 3d29 h ASP 153 Cb 0.00 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 3d29 h ASP 153 CO -0.00 1.19 0.14 0.25 -1.57 0.00 0.00 179.24 179.25 3d29 h LEU 154 N 0.22 0.62 -0.08 1.55 5.85 0.48 -0.94 115.31 123.00 3d29 h LEU 154 Ca -0.07 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3d29 h LEU 154 Cb 1.56 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3d29 h LEU 154 CO 0.16 0.59 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.39 3d29 h LEU 155 N 0.66 0.49 -1.18 2.25 3.38 -0.93 -2.39 115.31 117.58 3d29 h LEU 155 Ca 0.15 -0.64 0.14 0.00 0.09 0.00 0.00 57.88 57.62 3d29 h LEU 155 Cb 0.20 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3d29 h LEU 155 CO -0.01 1.05 0.60 0.50 0.09 0.00 0.00 178.44 180.66 3d29 h LYS 156 N -0.04 0.77 -0.52 1.13 3.64 -0.93 0.67 116.57 121.29 3d29 h LYS 156 Ca -0.02 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3d29 h LYS 156 Cb 1.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 3d29 h LYS 156 CO 0.08 0.51 0.10 1.25 -2.27 0.00 0.00 179.45 179.12 3d29 h LEU 157 N 0.79 0.80 -0.17 5.20 5.85 -1.06 -1.13 115.31 125.60 3d29 h LEU 157 Ca 0.47 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3d29 h LEU 157 Cb 0.66 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3d29 h LEU 157 CO -0.23 0.84 -0.04 0.00 -0.34 0.00 0.00 178.44 178.66 3d29 h VAL 159 N 0.04 1.24 -0.42 0.00 2.07 0.26 -1.53 116.25 117.91 3d29 h VAL 159 Ca 0.04 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3d29 h VAL 159 Cb 0.48 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3d29 h VAL 159 CO 0.02 0.23 0.10 1.56 0.02 0.00 0.00 177.57 179.50 3d29 h GLN 160 N 1.26 0.67 -0.86 1.57 4.20 -1.15 0.08 115.11 120.88 3d29 h GLN 160 Ca 0.34 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.92 3d29 h GLN 160 Cb -0.14 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.50 3d29 h GLN 160 CO -0.07 0.68 0.56 1.49 -0.67 0.00 0.00 178.83 180.82 3d29 h GLU 161 N 0.54 1.06 -0.55 1.46 4.57 -1.12 -1.07 114.58 119.48 3d29 h GLU 161 Ca 0.13 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 3d29 h GLU 161 Cb 0.31 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3d29 h GLU 161 CO 0.00 0.70 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.40 3d29 h LEU 162 N 1.09 0.97 -0.98 1.64 3.38 -0.87 -0.66 115.31 119.88 3d29 h LEU 162 Ca 0.34 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3d29 h LEU 162 Cb -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3d29 h LEU 162 CO -0.11 1.06 0.00 -0.33 0.09 0.00 0.00 178.44 179.15 3d29 h GLU 163 N 0.89 0.00 0.05 1.13 5.08 -0.38 -1.66 114.58 119.69 3d29 h GLU 163 Ca 0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 3d29 h GLU 163 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3d29 h GLU 163 CO 0.04 0.00 -1.20 -0.22 -1.00 0.00 0.00 179.01 176.63 3d29 h LYS 164 N 0.00 0.10 0.00 2.33 3.64 -0.76 -3.43 116.57 118.45 3d29 h LYS 164 Ca 0.00 -0.17 -0.28 0.00 -1.27 0.00 0.00 60.65 58.93 3d29 h LYS 164 Cb 0.57 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 3d29 h LYS 164 CO 0.00 1.08 -2.27 0.54 -2.27 0.00 0.00 179.45 176.53 3d29 n ARG 165 N -4.22 0.68 -2.14 1.90 5.12 -0.30 -4.99 116.66 112.72 3d29 n ARG 165 Ca -0.27 -0.04 -0.39 0.00 -1.93 0.00 0.00 57.85 55.22 3d29 n ARG 165 Cb 0.75 -1.53 -0.01 0.00 -1.16 0.00 0.00 32.46 30.51 3d29 n ARG 165 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3d29 s MET 166 N -2.73 4.02 0.12 5.56 -1.94 -0.62 -4.97 119.30 118.74 3d29 s MET 166 Ca -0.09 2.05 -0.17 0.00 -1.71 0.00 0.00 55.69 55.77 3d29 s MET 166 Cb 0.08 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 3d29 s MET 166 CO 0.85 -0.41 1.66 -1.35 -0.01 0.00 0.00 175.02 175.75 3d29 h PRO 167 N 2.72 0.51 -6.92 2.03 0.11 -1.94 -3.46 132.00 125.05 3d29 h PRO 167 Ca -0.49 -0.10 -0.49 0.00 0.11 0.00 0.00 66.00 65.03 3d29 h PRO 167 Cb 1.24 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 32.31 3d29 h PRO 167 CO 0.63 0.52 0.09 -1.64 -0.21 0.00 0.00 178.00 177.39 3d29 s MET 168 N -5.51 3.50 -0.62 1.05 -1.94 -1.26 -5.04 119.30 109.48 3d29 s MET 168 Ca -0.13 0.15 -0.18 0.00 -1.71 0.00 0.00 55.69 53.82 3d29 s MET 168 Cb 0.09 -2.39 0.12 0.00 2.01 0.00 0.00 34.83 34.67 3d29 s MET 168 CO 0.74 -0.21 0.69 0.34 -0.01 0.00 0.00 175.02 176.57 3d29 s ASP 169 N -4.12 6.27 0.00 3.03 -1.08 -1.26 -4.91 116.67 114.61 3d29 s ASP 169 Ca 0.47 -1.68 0.23 0.00 -0.52 0.00 0.00 52.55 51.05 3d29 s ASP 169 Cb -0.10 -2.28 1.28 0.00 -1.46 0.00 0.00 42.92 40.37 3d29 s ASP 169 CO 0.44 -1.00 1.84 2.22 0.52 0.00 0.00 175.17 179.19 3d29 n PHE 170 N 5.86 0.02 -3.49 -5.34 1.16 -1.26 -4.87 117.46 109.53 3d29 n PHE 170 Ca -0.06 -0.01 -0.23 0.00 -1.87 0.00 0.00 57.45 55.27 3d29 n PHE 170 Cb 0.43 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.37 3d29 n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3d29 n LYS 171 N -0.67 -7.42 -0.46 3.97 4.76 -1.26 -1.32 118.16 115.77 3d29 n LYS 171 Ca 0.17 0.83 0.06 0.00 -2.87 0.00 0.00 58.31 56.51 3d29 n LYS 171 Cb 0.12 -5.82 -0.02 0.00 -1.84 0.00 0.00 35.03 27.47 3d29 n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d29 n GLY 172 N -1.92 -1.94 3.46 0.72 0.00 -1.26 -4.28 105.19 99.97 3d29 n GLY 172 Ca -0.01 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 3d29 n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 173 N -1.08 1.10 -0.13 1.61 -7.23 -1.26 -1.26 120.40 112.16 3d29 s VAL 173 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 3d29 s VAL 173 Cb 0.00 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.21 3d29 s VAL 173 CO 0.00 0.00 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.94 3d29 s ILE 174 N -3.30 2.18 -0.08 -0.62 1.01 -0.68 -4.87 121.20 114.85 3d29 s ILE 174 Ca 0.35 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 3d29 s ILE 174 Cb 0.08 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3d29 s ILE 174 CO 0.15 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 174.91 3d29 s VAL 175 N 0.61 3.97 0.04 2.92 1.01 -1.26 -1.87 120.40 125.81 3d29 s VAL 175 Ca -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3d29 s VAL 175 Cb -0.16 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3d29 s VAL 175 CO 0.03 0.60 -0.08 -0.54 0.00 0.00 0.00 175.10 175.11 3d29 s LYS 176 N -0.80 0.56 -0.06 2.72 1.02 0.01 -1.46 119.74 121.72 3d29 s LYS 176 Ca 0.12 -0.68 0.05 0.00 0.02 0.00 0.00 55.97 55.49 3d29 s LYS 176 Cb -0.11 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3d29 s LYS 176 CO 0.02 0.08 -0.22 0.42 -0.92 0.00 0.00 175.35 174.73 3d29 s ILE 177 N -1.13 2.35 -0.14 2.17 1.01 0.58 -1.62 121.20 124.42 3d29 s ILE 177 Ca -0.07 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.64 3d29 s ILE 177 Cb -0.09 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3d29 s ILE 177 CO 0.00 0.57 -0.21 -0.69 0.00 0.00 0.00 174.94 174.61 3d29 s VAL 178 N -0.23 2.12 0.33 2.92 1.01 -0.14 -1.51 120.40 124.91 3d29 s VAL 178 Ca -0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3d29 s VAL 178 Cb -0.13 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3d29 s VAL 178 CO 0.03 0.55 0.58 -0.90 0.00 0.00 0.00 175.10 175.35 3d29 n ASP 179 N 4.08 -1.66 -0.08 3.32 5.68 -0.39 -1.13 116.55 126.37 3d29 n ASP 179 Ca -0.20 -2.50 0.23 0.00 -0.50 0.00 0.00 54.79 51.83 3d29 n ASP 179 Cb 0.52 2.86 0.49 0.00 -1.14 0.00 0.00 41.12 43.84 3d29 n ASP 179 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3d29 h LYS 180 N 0.00 0.00 -0.66 0.11 2.10 -1.92 0.56 116.57 116.75 3d29 h LYS 180 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3d29 h LYS 180 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3d29 h LYS 180 CO 0.35 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.55 3d29 n ASP 181 N -3.27 3.87 0.00 7.07 8.00 -1.26 -5.07 116.55 125.89 3d29 n ASP 181 Ca 0.17 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.67 3d29 n ASP 181 Cb 1.24 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3d29 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d29 n GLY 183 N 1.63 0.17 3.26 0.44 0.00 0.19 -4.99 105.19 105.90 3d29 n GLY 183 Ca 0.24 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 3d29 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d29 s ILE 184 N 0.00 2.14 0.04 -0.61 1.01 -1.23 -1.26 121.20 121.28 3d29 s ILE 184 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 3d29 s ILE 184 Cb 0.00 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 3d29 s ILE 184 CO 0.00 0.57 0.01 0.00 0.00 0.00 0.00 174.94 175.51 3d29 s ARG 185 N 0.02 0.50 -0.18 2.79 1.70 -0.57 -4.98 118.95 118.24 3d29 s ARG 185 Ca -0.09 -0.88 -0.06 0.00 -0.47 0.00 0.00 55.73 54.23 3d29 s ARG 185 Cb -0.15 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 3d29 s ARG 185 CO 0.06 -0.10 0.03 -1.14 -1.08 0.00 0.00 175.30 173.06 3d29 s GLN 186 N -2.71 3.84 -1.17 3.89 0.74 -1.26 -0.31 119.66 122.68 3d29 s GLN 186 Ca -0.04 -0.42 -0.20 0.00 0.05 0.00 0.00 55.36 54.75 3d29 s GLN 186 Cb -0.01 -3.13 0.06 0.00 1.10 0.00 0.00 33.01 31.03 3d29 s GLN 186 CO -0.05 0.22 1.62 0.08 -0.55 0.00 0.00 175.29 176.61 3d29 s VAL 187 N 0.49 4.01 -1.06 1.34 1.01 -0.53 -4.81 120.40 120.85 3d29 s VAL 187 Ca 0.01 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 60.61 3d29 s VAL 187 Cb -0.13 -5.11 0.01 0.00 0.00 0.00 0.00 36.38 31.15 3d29 s VAL 187 CO 0.01 -1.96 1.01 -0.90 0.00 0.00 0.00 175.10 173.27 3d29 n ASP 188 N 8.81 0.00 -3.91 3.32 3.85 -1.26 -3.83 116.55 123.53 3d29 n ASP 188 Ca 0.42 0.47 -0.28 0.00 -0.71 0.00 0.00 54.79 54.68 3d29 n ASP 188 Cb 0.48 -0.47 -0.12 0.00 -1.35 0.00 0.00 41.12 39.66 3d29 n ASP 188 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 3d29 s ASP 189 N -2.94 4.81 0.00 -1.12 -4.77 -1.26 -4.70 116.67 106.69 3d29 s ASP 189 Ca 0.01 -3.77 0.00 0.00 -3.30 0.00 0.00 52.55 45.48 3d29 s ASP 189 Cb 0.01 -1.65 0.00 0.00 -1.09 0.00 0.00 42.92 40.19 3d29 s ASP 189 CO 0.02 -0.10 0.00 0.33 0.70 0.00 0.00 175.17 176.12 3d29 n PHE 190 N 2.09 0.00 0.27 2.11 -0.00 -1.25 -4.30 117.46 116.38 3d29 n PHE 190 Ca 0.18 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.65 3d29 n PHE 190 Cb 0.35 0.00 0.10 0.00 -0.00 0.00 0.00 39.48 39.93 3d29 n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3d29 n GLN 191 N -0.56 0.14 0.00 -4.13 3.00 -1.26 -3.28 117.38 111.28 3d29 n GLN 191 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3d29 n GLN 191 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.84 3d29 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3d29 n ALA 192 N -0.90 0.00 0.99 -1.58 0.00 -1.26 -5.19 120.51 112.56 3d29 n ALA 192 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3d29 n ALA 192 Cb 0.01 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.56 3d29 n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44