#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 5.93 -0.18 6.12 1.01 -1.26 -4.94 116.67 123.35 3d29 s ASP 1 Ca 0.00 0.89 -0.15 0.00 0.71 0.00 0.00 52.55 53.99 3d29 s ASP 1 Cb 0.00 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 3d29 s ASP 1 CO 0.00 -0.85 0.37 -0.63 0.21 0.00 0.00 175.17 174.27 3d29 s ILE 2 N -2.92 5.23 -0.25 0.77 1.09 -1.26 -4.79 121.20 119.07 3d29 s ILE 2 Ca 0.51 0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 60.73 3d29 s ILE 2 Cb -0.10 -3.71 0.08 0.00 -1.06 0.00 0.00 42.46 37.67 3d29 s ILE 2 CO 0.46 0.30 0.04 -0.63 -0.10 0.00 0.00 174.94 175.01 3d29 s ILE 3 N 0.99 0.91 0.11 2.92 -1.09 -1.26 -0.95 121.20 122.83 3d29 s ILE 3 Ca 0.19 -1.08 0.10 0.00 -2.23 0.00 0.00 60.65 57.63 3d29 s ILE 3 Cb -0.14 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 3d29 s ILE 3 CO 0.07 -0.39 -0.26 -0.76 -1.23 0.00 0.00 174.94 172.37 3d29 s LEU 4 N 1.64 2.28 -0.12 2.97 1.43 0.07 -2.18 118.68 124.79 3d29 s LEU 4 Ca 0.03 -0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 3d29 s LEU 4 Cb -0.18 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.87 3d29 s LEU 4 CO -0.15 0.19 0.30 -0.83 0.23 0.00 0.00 176.35 176.09 3d29 s GLY 5 N -1.87 -0.22 -0.08 -3.19 0.00 -0.15 -1.17 107.32 100.64 3d29 s GLY 5 Ca 0.13 0.92 -0.03 0.00 0.00 0.00 0.00 44.72 45.73 3d29 s GLY 5 CO 0.05 0.87 0.17 -1.50 0.00 0.00 0.00 173.10 172.69 3d29 s ILE 6 N 0.38 -0.09 -0.32 0.90 2.07 -0.02 -0.29 121.20 123.84 3d29 s ILE 6 Ca -0.02 0.20 -0.12 0.00 -1.41 0.00 0.00 60.65 59.31 3d29 s ILE 6 Cb -0.04 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 3d29 s ILE 6 CO -0.02 0.08 0.20 -0.60 -1.91 0.00 0.00 174.94 172.70 3d29 s ARG 7 N 1.38 3.53 0.00 3.50 3.52 0.29 -0.62 118.95 130.55 3d29 s ARG 7 Ca -0.07 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 3d29 s ARG 7 Cb -0.11 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 3d29 s ARG 7 CO -0.07 -0.39 0.00 1.33 -0.81 0.00 0.00 175.30 175.37 3d29 n VAL 8 N 5.06 0.00 -0.05 7.11 0.24 -0.03 -4.83 118.33 125.83 3d29 n VAL 8 Ca -0.13 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 3d29 n VAL 8 Cb 0.50 -0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 31.89 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 -1.00 -3.32 115.11 123.48 3d29 h GLN 9 Ca 0.00 0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 3d29 h GLN 9 Cb 0.00 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 28.54 3d29 h GLN 9 CO 0.00 -0.27 -0.52 -0.25 -2.65 0.00 0.00 178.83 175.14 3d29 n ASP 10 N -5.43 1.33 -3.68 -0.69 8.00 -1.26 -4.66 116.55 110.16 3d29 n ASP 10 Ca -0.03 -2.84 -0.05 0.00 0.71 0.00 0.00 54.79 52.59 3d29 n ASP 10 Cb 0.35 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.38 -0.23 -0.07 -2.24 1.04 -1.25 -4.46 113.70 104.11 3d29 s SER 11 Ca 0.28 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.47 3d29 s SER 11 Cb 0.28 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 3d29 s SER 11 CO -0.06 -0.83 -0.24 -0.69 0.98 0.00 0.00 173.24 172.41 3d29 s VAL 12 N -3.24 1.99 -0.11 5.02 1.01 -0.16 -0.85 120.40 124.06 3d29 s VAL 12 Ca 0.10 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3d29 s VAL 12 Cb -0.01 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3d29 s VAL 12 CO -0.01 0.55 -0.21 -0.63 0.00 0.00 0.00 175.10 174.80 3d29 s ILE 13 N -0.03 2.36 -0.07 2.22 1.01 0.21 -0.82 121.20 126.08 3d29 s ILE 13 Ca -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3d29 s ILE 13 Cb -0.15 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3d29 s ILE 13 CO 0.05 0.55 -0.20 -0.76 0.00 0.00 0.00 174.94 174.58 3d29 s LEU 14 N 0.30 2.36 -0.06 2.97 1.43 -0.54 -0.84 118.68 124.31 3d29 s LEU 14 Ca -0.15 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3d29 s LEU 14 Cb -0.17 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3d29 s LEU 14 CO 0.08 0.26 -0.15 0.00 0.23 0.00 0.00 176.35 176.77 3d29 s ALA 15 N -0.26 1.43 -0.03 4.21 0.00 -0.32 -0.78 121.76 126.01 3d29 s ALA 15 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3d29 s ALA 15 Cb -0.13 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.44 3d29 s ALA 15 CO 0.03 0.18 0.00 -1.12 0.00 0.00 0.00 175.76 174.85 3d29 s SER 16 N 0.44 0.41 0.56 0.00 0.01 -0.79 -0.75 113.70 113.57 3d29 s SER 16 Ca -0.12 -0.03 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 3d29 s SER 16 Cb -0.15 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 3d29 s SER 16 CO 0.04 -0.10 1.00 -1.54 0.41 0.00 0.00 173.24 173.05 3d29 n SER 17 N 4.12 0.99 -0.37 2.44 3.41 -0.13 -1.63 113.62 122.45 3d29 n SER 17 Ca -0.27 0.87 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 3d29 n SER 17 Cb 0.50 -1.39 0.06 0.00 -0.26 0.00 0.00 64.21 63.12 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 -0.73 0.95 -2.83 4.33 5.02 -0.42 -4.64 118.16 119.85 3d29 n LYS 18 Ca 0.12 -0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 55.33 3d29 n LYS 18 Cb 0.45 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.56 3.08 -0.28 7.82 0.00 -0.55 -1.78 121.76 127.48 3d29 s ALA 19 Ca 0.18 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 3d29 s ALA 19 Cb 0.18 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 20.26 3d29 s ALA 19 CO 0.60 0.15 0.15 0.08 0.00 0.00 0.00 175.76 176.74 3d29 s VAL 20 N -2.08 -0.11 -0.11 0.00 1.01 -0.68 -4.89 120.40 113.54 3d29 s VAL 20 Ca 0.60 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3d29 s VAL 20 Cb -0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3d29 s VAL 20 CO 0.15 -0.68 -0.05 -0.89 0.00 0.00 0.00 175.10 173.63 3d29 s THR 21 N 2.13 3.84 -0.25 3.92 2.01 -1.26 0.24 115.64 126.27 3d29 s THR 21 Ca 0.09 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3d29 s THR 21 Cb -0.16 -2.62 0.07 0.00 0.01 0.00 0.00 72.50 69.80 3d29 s THR 21 CO -0.35 0.56 0.00 -0.13 -0.69 0.00 0.00 174.62 174.01 3d29 s ARG 22 N -0.33 1.24 6.32 4.92 1.81 0.70 -4.93 118.95 128.68 3d29 s ARG 22 Ca 0.05 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.09 3d29 s ARG 22 Cb -0.12 -2.43 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 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 4.74 1.79 0.01 -3.53 0.00 -1.26 -1.99 105.19 104.95 3d29 n GLY 23 Ca -0.08 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.04 -5.20 -0.61 3.06 -1.26 -4.94 119.36 110.45 3d29 n ILE 24 Ca 0.00 -0.04 -0.30 0.00 -2.50 0.00 0.00 62.75 59.92 3d29 n ILE 24 Cb 0.00 0.32 -0.16 0.00 0.54 0.00 0.00 39.64 40.34 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 -3.15 2.84 -0.40 9.51 0.01 -0.84 -5.08 113.70 116.58 3d29 s SER 25 Ca 0.10 -0.44 -0.23 0.00 1.31 0.00 0.00 55.95 56.68 3d29 s SER 25 Cb 0.17 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.02 3d29 s SER 25 CO 0.73 0.28 0.79 -0.69 0.41 0.00 0.00 173.24 174.77 3d29 s VAL 26 N -0.49 4.69 0.04 3.43 1.01 -1.26 -0.21 120.40 127.61 3d29 s VAL 26 Ca 0.07 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 3d29 s VAL 26 Cb -0.10 -4.26 -0.27 0.00 0.00 0.00 0.00 36.38 31.76 3d29 s VAL 26 CO -0.00 -0.55 1.01 -0.07 0.00 0.00 0.00 175.10 175.49 3d29 h LEU 27 N 9.91 0.31 -7.85 3.92 3.38 -0.57 -3.48 115.31 120.94 3d29 h LEU 27 Ca -0.25 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.18 3d29 h LEU 27 Cb 1.09 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 41.53 3d29 h LEU 27 CO 0.93 1.32 -0.58 -0.75 0.09 0.00 0.00 178.44 179.45 3d29 s LYS 28 N -2.64 0.42 -0.08 1.13 2.20 -1.10 -5.02 119.74 114.65 3d29 s LYS 28 Ca -0.05 -0.50 0.13 0.00 -0.36 0.00 0.00 55.97 55.18 3d29 s LYS 28 Cb 0.07 0.17 0.25 0.00 -1.51 0.00 0.00 37.83 36.81 3d29 s LYS 28 CO 0.86 -0.09 1.12 -0.40 -0.36 0.00 0.00 175.35 176.47 3d29 n ASP 29 N 1.47 1.25 -0.72 1.43 3.85 -1.25 -1.69 116.55 120.89 3d29 n ASP 29 Ca -0.23 -2.70 0.01 0.00 -0.71 0.00 0.00 54.79 51.16 3d29 n ASP 29 Cb 0.55 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 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 -0.58 0.16 -4.73 -1.12 3.41 -0.99 -4.67 113.62 105.10 3d29 n SER 30 Ca 0.10 -1.87 -0.42 0.00 -0.26 0.00 0.00 58.87 56.42 3d29 n SER 30 Cb 0.76 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 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 -1.07 6.91 -0.47 4.04 -1.08 -0.73 -4.99 116.67 119.28 3d29 s ASP 31 Ca 0.07 2.34 -0.13 0.00 -0.52 0.00 0.00 52.55 54.31 3d29 s ASP 31 Cb 0.08 -2.60 0.10 0.00 -1.46 0.00 0.00 42.92 39.03 3d29 s ASP 31 CO -0.03 -0.54 0.37 -0.62 0.52 0.00 0.00 175.17 174.87 3d29 s ASP 32 N 0.56 5.93 -1.37 -0.34 3.68 -1.26 -4.29 116.67 119.58 3d29 s ASP 32 Ca 0.58 -1.60 -0.08 0.00 2.13 0.00 0.00 52.55 53.59 3d29 s ASP 32 Cb -0.36 -2.10 -0.02 0.00 -1.45 0.00 0.00 42.92 38.99 3d29 s ASP 32 CO 0.35 -0.68 2.80 0.29 0.13 0.00 0.00 175.17 178.07 3d29 n LYS 33 N 5.08 3.87 -3.74 4.34 5.02 -1.26 -4.87 118.16 126.59 3d29 n LYS 33 Ca -0.11 -2.58 -0.12 0.00 -2.02 0.00 0.00 58.31 53.48 3d29 n LYS 33 Cb 0.42 -2.66 -0.07 0.00 -0.02 0.00 0.00 35.03 32.69 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 0.75 0.08 -0.01 -0.18 -1.32 -1.26 -2.29 115.64 111.40 3d29 s THR 34 Ca 0.64 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 60.49 3d29 s THR 34 Cb 0.20 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.29 3d29 s THR 34 CO -0.08 -0.34 0.03 -0.13 -2.21 0.00 0.00 174.62 171.89 3d29 s ARG 35 N -2.43 -0.00 -0.23 7.08 1.81 -0.48 -5.02 118.95 119.68 3d29 s ARG 35 Ca -0.06 0.10 -0.20 0.00 -1.72 0.00 0.00 55.73 53.85 3d29 s ARG 35 Cb -0.01 -0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.37 3d29 s ARG 35 CO -0.02 -0.07 0.62 -1.14 -0.68 0.00 0.00 175.30 174.00 3d29 s GLN 36 N 0.44 4.15 0.11 3.54 0.74 -1.26 -1.62 119.66 125.75 3d29 s GLN 36 Ca -0.04 0.55 0.14 0.00 0.05 0.00 0.00 55.36 56.06 3d29 s GLN 36 Cb -0.05 -3.62 -0.12 0.00 1.10 0.00 0.00 33.01 30.32 3d29 s GLN 36 CO -0.01 -0.33 1.04 -0.07 -0.55 0.00 0.00 175.29 175.37 3d29 h LEU 37 N 8.61 0.00 -7.48 3.68 3.38 -1.53 -3.47 115.31 118.49 3d29 h LEU 37 Ca -0.29 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.82 3d29 h LEU 37 Cb 1.13 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 3d29 h LEU 37 CO 0.77 0.72 0.45 -0.94 0.09 0.00 0.00 178.44 179.53 3d29 s SER 38 N -6.19 -0.25 0.57 -0.43 1.04 -1.15 -4.15 113.70 103.13 3d29 s SER 38 Ca -0.01 -0.29 0.31 0.00 0.48 0.00 0.00 55.95 56.44 3d29 s SER 38 Cb 0.08 0.49 1.43 0.00 0.10 0.00 0.00 66.02 68.13 3d29 s SER 38 CO 0.80 -0.87 1.79 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 -2.01 132.00 134.13 3d29 h PRO 39 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3d29 h PRO 39 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3d29 h PRO 39 CO 0.27 0.00 -0.16 0.72 -0.23 0.00 0.00 178.00 178.61 3d29 n HIS 40 N -3.86 0.00 -3.67 1.56 8.25 -1.26 -3.56 115.22 112.67 3d29 n HIS 40 Ca 0.17 -1.08 -0.20 0.00 -0.26 0.00 0.00 57.72 56.35 3d29 n HIS 40 Cb 1.01 -0.17 -0.18 0.00 1.12 0.00 0.00 29.99 31.77 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 -2.83 -0.11 -0.03 1.59 2.01 -0.76 -0.56 115.64 114.95 3d29 s THR 41 Ca 0.32 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.82 3d29 s THR 41 Cb 0.29 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.64 3d29 s THR 41 CO 0.00 0.18 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.64 3d29 s LEU 42 N 2.15 2.08 -0.07 4.42 2.96 0.69 -1.21 118.68 129.69 3d29 s LEU 42 Ca 0.05 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3d29 s LEU 42 Cb -0.12 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3d29 s LEU 42 CO -0.03 0.30 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.81 3d29 s MET 43 N -0.51 2.18 0.18 1.98 -2.45 -0.64 0.00 119.30 120.04 3d29 s MET 43 Ca 0.07 -0.63 0.06 0.00 -1.25 0.00 0.00 55.69 53.94 3d29 s MET 43 Cb -0.11 -1.76 -0.04 0.00 1.25 0.00 0.00 34.83 34.18 3d29 s MET 43 CO 0.00 0.15 0.07 -1.54 1.05 0.00 0.00 175.02 174.75 3d29 s SER 44 N 0.36 5.13 0.06 1.11 1.04 -0.28 -1.39 113.70 119.74 3d29 s SER 44 Ca -0.13 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 3d29 s SER 44 Cb -0.15 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 64.78 3d29 s SER 44 CO 0.05 0.07 0.38 0.72 0.98 0.00 0.00 173.24 175.44 3d29 s PHE 45 N -1.80 -0.21 0.01 5.02 -0.12 -0.97 -1.81 117.98 118.10 3d29 s PHE 45 Ca 0.30 0.09 -0.18 0.00 -0.05 0.00 0.00 56.93 57.09 3d29 s PHE 45 Cb -0.09 0.19 0.03 0.00 -0.63 0.00 0.00 43.02 42.52 3d29 s PHE 45 CO 0.21 -0.58 0.39 0.00 -0.05 0.00 0.00 175.22 175.20 3d29 s ALA 46 N -2.75 -0.97 0.00 1.99 0.00 -0.66 -4.88 121.76 114.49 3d29 s ALA 46 Ca -0.04 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3d29 s ALA 46 Cb -0.00 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3d29 s ALA 46 CO -0.04 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3d29 n GLY 47 N 0.83 0.22 3.77 0.00 0.00 -1.26 -0.26 105.19 108.50 3d29 n GLY 47 Ca -0.20 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 4.11 0.30 1.61 2.56 0.29 -4.88 118.70 120.69 3d29 s GLU 48 Ca 0.00 2.57 0.08 0.00 0.00 0.00 0.00 54.97 57.63 3d29 s GLU 48 Cb 0.00 -2.98 0.89 0.00 2.00 0.00 0.00 34.13 34.05 3d29 s GLU 48 CO 0.00 -0.55 1.41 0.00 -0.56 0.00 0.00 175.26 175.56 3d29 n ALA 49 N 0.79 0.64 -0.11 6.30 0.00 -1.26 -2.47 120.51 124.40 3d29 n ALA 49 Ca 0.02 0.95 -0.15 0.00 0.00 0.00 0.00 53.44 54.26 3d29 n ALA 49 Cb 0.39 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.38 0.37 0.00 0.00 -1.26 -4.57 105.19 97.98 3d29 n GLY 50 Ca 0.26 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.78 -0.16 1.61 3.32 -1.88 -3.03 116.42 117.06 3d29 h ASP 51 Ca -0.49 0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.63 3d29 h ASP 51 Cb 1.81 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 41.24 3d29 h ASP 51 CO -0.06 0.37 -0.16 0.74 -1.72 0.00 0.00 179.24 178.41 3d29 h THR 52 N 0.81 0.00 -0.30 0.35 2.02 -1.73 0.06 112.91 114.13 3d29 h THR 52 Ca 0.50 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.51 3d29 h THR 52 Cb 0.70 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3d29 h THR 52 CO -0.26 0.00 -0.48 0.58 0.37 0.00 0.00 175.52 175.73 3d29 h VAL 53 N -0.09 1.28 -0.75 3.16 2.07 -1.85 -2.20 116.25 117.89 3d29 h VAL 53 Ca 0.03 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.92 3d29 h VAL 53 Cb 0.16 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3d29 h VAL 53 CO -0.19 0.54 0.49 1.56 0.02 0.00 0.00 177.57 179.99 3d29 h GLN 54 N 0.63 0.87 0.02 1.57 1.08 -1.40 -0.24 115.11 117.64 3d29 h GLN 54 Ca 0.03 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 3d29 h GLN 54 Cb 1.06 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 28.30 3d29 h GLN 54 CO 0.10 0.58 -0.43 0.35 -0.95 0.00 0.00 178.83 178.48 3d29 h PHE 55 N 0.90 0.40 -0.32 2.96 3.04 -0.89 -2.02 116.94 121.01 3d29 h PHE 55 Ca 0.30 -0.23 0.04 0.00 3.98 0.00 0.00 57.97 62.06 3d29 h PHE 55 Cb 0.07 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 3d29 h PHE 55 CO -0.00 1.06 0.11 0.00 -2.02 0.00 0.00 178.31 177.46 3d29 h ALA 56 N 0.24 0.36 -0.33 2.41 0.00 -1.08 -1.20 119.26 119.67 3d29 h ALA 56 Ca -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3d29 h ALA 56 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3d29 h ALA 56 CO 0.08 -0.29 -0.27 0.93 0.00 0.00 0.00 179.25 179.71 3d29 h GLU 57 N 0.25 0.68 -0.76 0.00 5.08 -1.14 0.10 114.58 118.78 3d29 h GLU 57 Ca 0.14 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3d29 h GLU 57 Cb 0.11 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3d29 h GLU 57 CO -0.15 0.87 0.42 -0.92 -1.00 0.00 0.00 179.01 178.24 3d29 h TYR 58 N 0.58 1.03 -0.18 4.33 3.20 -1.00 -0.27 116.97 124.66 3d29 h TYR 58 Ca 0.08 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3d29 h TYR 58 Cb 0.76 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 3d29 h TYR 58 CO 0.03 0.72 -0.21 0.82 -1.64 0.00 0.00 178.16 177.89 3d29 h ILE 59 N 1.04 1.34 -0.41 1.81 2.04 -0.91 -2.52 117.51 119.90 3d29 h ILE 59 Ca 0.27 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.82 3d29 h ILE 59 Cb 0.03 1.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 3d29 h ILE 59 CO -0.04 0.42 -0.11 -0.61 0.00 0.00 0.00 178.15 177.80 3d29 h GLN 60 N 0.10 -0.01 -0.75 2.37 4.15 -0.71 0.28 115.11 120.55 3d29 h GLN 60 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.56 3d29 h GLN 60 Cb 0.76 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.37 3d29 h GLN 60 CO 0.05 -0.01 0.36 0.00 -1.93 0.00 0.00 178.83 177.30 3d29 h ALA 61 N 1.38 1.05 -0.42 3.38 0.00 -0.97 -0.31 119.26 123.37 3d29 h ALA 61 Ca 0.20 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3d29 h ALA 61 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3d29 h ALA 61 CO -0.43 -0.09 -0.29 -0.91 0.00 0.00 0.00 179.25 177.54 3d29 h ASN 62 N 0.57 0.98 -0.47 0.00 4.21 -0.60 -1.33 115.58 118.95 3d29 h ASN 62 Ca 0.38 -0.43 -0.10 0.00 1.21 0.00 0.00 56.30 57.36 3d29 h ASN 62 Cb 0.47 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 3d29 h ASN 62 CO -0.31 1.20 -0.12 0.40 -1.29 0.00 0.00 177.43 177.31 3d29 h ILE 63 N 0.77 1.27 -0.67 2.81 1.08 -0.49 -0.86 117.51 121.42 3d29 h ILE 63 Ca 0.08 -1.24 -0.05 0.00 -0.39 0.00 0.00 64.86 63.26 3d29 h ILE 63 Cb 0.87 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 3d29 h ILE 63 CO 0.08 0.43 0.21 1.56 -0.69 0.00 0.00 178.15 179.74 3d29 h GLN 64 N 0.75 1.03 -0.52 2.37 4.20 -1.04 0.47 115.11 122.37 3d29 h GLN 64 Ca 0.12 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3d29 h GLN 64 Cb 0.67 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3d29 h GLN 64 CO 0.05 0.88 0.24 1.25 -0.67 0.00 0.00 178.83 180.57 3d29 h LEU 65 N 0.99 0.69 -0.74 1.46 5.85 -1.00 -0.90 115.31 121.67 3d29 h LEU 65 Ca 0.22 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3d29 h LEU 65 Cb 0.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3d29 h LEU 65 CO -0.01 0.64 0.35 0.22 -0.34 0.00 0.00 178.44 179.30 3d29 h TYR 66 N 0.70 1.06 -0.20 1.25 3.20 -0.57 -1.58 116.97 120.83 3d29 h TYR 66 Ca 0.18 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3d29 h TYR 66 Cb 0.14 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3d29 h TYR 66 CO -0.00 0.79 0.04 0.77 -1.64 0.00 0.00 178.16 178.12 3d29 h SER 67 N 1.03 0.02 0.18 -2.11 0.02 -0.37 -0.70 113.55 111.62 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 0.12 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3d29 h SER 67 CO -0.03 0.04 -0.09 0.40 -1.14 0.00 0.00 176.83 176.01 3d29 h ILE 68 N 0.13 0.89 -0.89 3.27 1.08 -1.01 0.52 117.51 121.50 3d29 h ILE 68 Ca 0.09 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3d29 h ILE 68 Cb 0.08 1.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 3d29 h ILE 68 CO -0.12 0.08 0.57 -0.09 -0.69 0.00 0.00 178.15 177.90 3d29 h ARG 69 N -0.42 1.04 -0.01 2.37 2.43 -1.20 -2.92 114.38 115.66 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 0.33 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3d29 h ARG 69 CO 0.04 0.69 -0.51 0.39 -1.51 0.00 0.00 179.97 179.07 3d29 n GLU 70 N -4.56 1.03 -4.02 0.20 4.71 -0.28 -4.97 120.64 112.75 3d29 n GLU 70 Ca 0.12 -0.83 -0.31 0.00 -0.01 0.00 0.00 57.16 56.13 3d29 n GLU 70 Cb 0.13 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 29.06 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 -0.26 -1.38 -3.45 1.62 4.64 0.18 -4.93 116.55 112.98 3d29 n ASP 71 Ca 0.09 -1.13 -0.13 0.00 -1.38 0.00 0.00 54.79 52.25 3d29 n ASP 71 Cb 0.44 -2.51 -0.03 0.00 -1.04 0.00 0.00 41.12 37.99 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 -0.53 -0.23 -0.67 5.04 -1.13 -5.06 117.35 110.85 3d29 s TYR 72 Ca 0.16 0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 55.20 3d29 s TYR 72 Cb -0.07 0.53 -0.02 0.00 0.35 0.00 0.00 41.96 42.75 3d29 s TYR 72 CO 0.93 -0.76 0.00 -2.00 -1.34 0.00 0.00 175.55 172.39 3d29 s GLU 73 N -3.15 3.51 0.53 4.97 2.12 -1.26 -4.22 118.70 121.20 3d29 s GLU 73 Ca -0.01 -0.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.55 3d29 s GLU 73 Cb -0.01 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 3d29 s GLU 73 CO -0.08 -0.17 1.30 -0.51 -0.54 0.00 0.00 175.26 175.26 3d29 s LEU 74 N 1.46 3.87 0.80 2.70 1.43 -1.26 -4.97 118.68 122.71 3d29 s LEU 74 Ca 0.05 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.66 3d29 s LEU 74 Cb -0.15 -4.30 0.08 0.00 0.03 0.00 0.00 46.19 41.86 3d29 s LEU 74 CO 0.00 -1.42 1.14 -0.94 0.23 0.00 0.00 176.35 175.36 3d29 s SER 75 N -1.11 3.92 0.40 2.29 1.04 -1.26 -4.79 113.70 114.19 3d29 s SER 75 Ca 0.70 2.11 0.08 0.00 0.48 0.00 0.00 55.95 59.32 3d29 s SER 75 Cb -0.37 -2.56 0.82 0.00 0.10 0.00 0.00 66.02 64.02 3d29 s SER 75 CO 0.43 -2.44 1.99 -0.65 0.98 0.00 0.00 173.24 173.55 3d29 h PRO 76 N -1.07 0.40 -0.62 4.02 0.11 -1.92 -1.23 132.00 131.68 3d29 h PRO 76 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3d29 h PRO 76 Cb 1.26 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3d29 h PRO 76 CO 0.48 0.37 0.23 0.37 -0.21 0.00 0.00 178.00 179.23 3d29 h GLN 77 N 0.40 0.95 -0.51 1.05 -0.00 -1.99 -0.73 115.11 114.28 3d29 h GLN 77 Ca 0.10 -0.19 -0.10 0.00 -0.00 0.00 0.00 58.65 58.46 3d29 h GLN 77 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.47 3d29 h GLN 77 CO -0.00 0.82 -0.08 0.00 0.00 0.00 0.00 178.83 179.56 3d29 h ALA 78 N 1.09 0.70 -0.26 3.38 0.00 -1.72 -1.59 119.26 120.87 3d29 h ALA 78 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3d29 h ALA 78 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3d29 h ALA 78 CO -0.01 0.59 0.05 0.28 0.00 0.00 0.00 179.25 180.15 3d29 h VAL 79 N 0.82 1.22 -0.43 0.00 2.07 -1.00 -1.41 116.25 117.53 3d29 h VAL 79 Ca 0.14 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3d29 h VAL 79 Cb 0.63 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3d29 h VAL 79 CO 0.04 0.24 0.21 0.77 0.02 0.00 0.00 177.57 178.85 3d29 h SER 80 N 0.24 0.53 -0.15 0.57 4.64 -1.05 -0.19 113.55 118.14 3d29 h SER 80 Ca 0.08 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 3d29 h SER 80 Cb 0.31 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3d29 h SER 80 CO 0.00 0.45 -0.39 0.28 -0.87 0.00 0.00 176.83 176.31 3d29 h SER 81 N 0.60 0.71 -0.64 4.97 0.02 -0.93 -0.32 113.55 117.96 3d29 h SER 81 Ca 0.15 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 3d29 h SER 81 Cb 0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3d29 h SER 81 CO -0.02 1.02 0.18 0.15 -1.14 0.00 0.00 176.83 177.02 3d29 h PHE 82 N 0.56 1.06 -0.44 3.45 3.04 -0.22 -1.58 116.94 122.79 3d29 h PHE 82 Ca 0.05 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.83 3d29 h PHE 82 Cb 0.91 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 3d29 h PHE 82 CO 0.04 0.87 0.07 0.28 -2.02 0.00 0.00 178.31 177.55 3d29 h VAL 83 N 0.93 1.25 -0.60 1.41 2.07 -0.76 -1.99 116.25 118.55 3d29 h VAL 83 Ca 0.20 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3d29 h VAL 83 Cb 0.33 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3d29 h VAL 83 CO -0.00 0.31 0.34 -0.09 0.02 0.00 0.00 177.57 178.15 3d29 h ARG 84 N 0.60 0.83 -0.21 1.57 2.43 -0.87 -1.84 114.38 116.88 3d29 h ARG 84 Ca 0.13 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3d29 h ARG 84 Cb 0.39 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3d29 h ARG 84 CO 0.01 0.62 0.03 0.37 -1.51 0.00 0.00 179.97 179.49 3d29 h GLN 85 N 0.81 0.11 -0.83 0.20 4.15 -1.10 0.14 115.11 118.59 3d29 h GLN 85 Ca 0.21 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.67 3d29 h GLN 85 Cb 0.02 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3d29 h GLN 85 CO -0.04 0.07 0.53 0.93 -1.93 0.00 0.00 178.83 178.39 3d29 h GLU 86 N 0.11 0.98 -0.29 1.69 4.39 -1.02 -1.28 114.58 119.15 3d29 h GLU 86 Ca 0.10 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.57 3d29 h GLU 86 Cb 0.10 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3d29 h GLU 86 CO -0.14 0.65 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.82 3d29 h LEU 87 N 1.01 0.85 -1.35 1.33 3.38 -0.89 -2.06 115.31 117.58 3d29 h LEU 87 Ca 0.34 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3d29 h LEU 87 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3d29 h LEU 87 CO -0.13 1.18 0.21 0.00 0.09 0.00 0.00 178.44 179.80 3d29 h ALA 88 N 0.84 1.49 0.03 1.53 0.00 -0.18 -0.57 119.26 122.40 3d29 h ALA 88 Ca 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 88 Cb 1.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3d29 h ALA 88 CO 0.10 0.40 -0.01 0.87 0.00 0.00 0.00 179.25 180.61 3d29 h LYS 89 N 0.66 -0.03 -0.66 0.00 1.57 -1.08 -3.24 116.57 113.79 3d29 h LYS 89 Ca 0.16 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 3d29 h LYS 89 Cb 0.10 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.31 3d29 h LYS 89 CO -0.02 0.29 0.06 1.03 -0.57 0.00 0.00 179.45 180.23 3d29 h SER 90 N -0.36 -0.19 -0.46 0.86 0.87 -0.60 -2.32 113.55 111.35 3d29 h SER 90 Ca -0.00 0.15 0.13 0.00 -1.23 0.00 0.00 61.79 60.84 3d29 h SER 90 Cb 0.34 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3d29 h SER 90 CO 0.01 -0.09 0.41 -0.29 -0.53 0.00 0.00 176.83 176.33 3d29 h ILE 90 N 0.16 0.53 -0.36 2.23 6.09 -1.16 -0.48 117.51 124.53 3d29 h ILE 90 Ca 0.35 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.84 3d29 h ILE 90 Cb 0.58 0.69 0.00 0.00 0.47 0.00 0.00 36.82 38.57 3d29 h ILE 90 CO -0.53 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.09 3d29 n ARG 90 N -4.00 3.04 -2.38 2.19 1.74 -0.88 -4.86 116.66 111.51 3d29 n ARG 90 Ca 0.08 -2.51 -0.26 0.00 -0.77 0.00 0.00 57.85 54.40 3d29 n ARG 90 Cb 0.60 -1.61 0.15 0.00 -1.02 0.00 0.00 32.46 30.59 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 -1.37 3.76 0.07 0.55 1.04 -0.19 -5.01 113.70 112.55 3d29 s SER 91 Ca 0.35 -0.25 -0.33 0.00 0.48 0.00 0.00 55.95 56.21 3d29 s SER 91 Cb 0.24 0.07 -0.19 0.00 0.10 0.00 0.00 66.02 66.24 3d29 s SER 91 CO 0.14 -2.28 1.63 -0.09 0.98 0.00 0.00 173.24 173.63 3d29 h ARG 92 N -0.98 -0.86 -3.72 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 0.36 -0.57 -0.70 0.50 -1.51 0.00 0.00 179.97 178.05 3d29 s ARG 93 N -6.06 1.45 0.51 0.20 3.52 -1.26 -5.11 118.95 112.20 3d29 s ARG 93 Ca -0.18 -1.98 -0.23 0.00 -0.13 0.00 0.00 55.73 53.21 3d29 s ARG 93 Cb 0.03 -2.83 -0.06 0.00 -1.56 0.00 0.00 34.95 30.54 3d29 s ARG 93 CO 0.62 -1.05 1.36 -2.14 -0.81 0.00 0.00 175.30 173.29 3d29 s PRO 94 N 0.55 3.33 0.02 5.12 0.02 -1.25 -4.97 135.00 137.82 3d29 s PRO 94 Ca 0.14 2.26 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 3d29 s PRO 94 Cb -0.22 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 3d29 s PRO 94 CO -0.07 -1.04 1.24 0.71 -0.33 0.00 0.00 177.00 177.51 3d29 s TYR 95 N -1.29 3.26 -1.04 6.54 2.02 -1.26 -4.94 117.35 120.64 3d29 s TYR 95 Ca 0.68 1.19 -0.05 0.00 -0.37 0.00 0.00 57.07 58.51 3d29 s TYR 95 Cb -0.41 -3.47 0.28 0.00 -0.40 0.00 0.00 41.96 37.97 3d29 s TYR 95 CO 0.49 -1.51 1.17 1.04 -1.57 0.00 0.00 175.55 175.17 3d29 n GLN 96 N 4.55 3.67 -4.02 -0.62 6.02 -1.26 -4.83 117.38 120.89 3d29 n GLN 96 Ca 0.10 -4.51 -0.15 0.00 -0.01 0.00 0.00 57.00 52.43 3d29 n GLN 96 Cb 0.46 -2.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.07 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 -1.90 0.24 0.03 5.09 1.01 -1.26 -0.55 120.40 123.06 3d29 s VAL 97 Ca 0.31 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3d29 s VAL 97 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3d29 s VAL 97 CO -0.02 0.10 -0.11 0.20 0.00 0.00 0.00 175.10 175.27 3d29 s ASN 98 N 0.27 4.31 0.06 3.32 0.01 0.64 -2.23 114.94 121.32 3d29 s ASN 98 Ca -0.03 -0.28 -0.05 0.00 -0.71 0.00 0.00 52.86 51.79 3d29 s ASN 98 Cb -0.05 -0.88 -0.02 0.00 0.41 0.00 0.00 41.25 40.71 3d29 s ASN 98 CO -0.01 0.26 0.10 0.68 -1.51 0.00 0.00 177.10 176.62 3d29 s VAL 99 N -1.00 0.16 -0.07 1.60 -7.23 0.36 -1.65 120.40 112.56 3d29 s VAL 99 Ca 0.17 -1.34 0.05 0.00 -1.81 0.00 0.00 61.98 59.05 3d29 s VAL 99 Cb -0.11 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 3d29 s VAL 99 CO 0.08 -0.74 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.13 3d29 s LEU 100 N -2.65 2.05 -0.24 1.32 1.43 -0.75 -1.48 118.68 118.36 3d29 s LEU 100 Ca 0.02 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3d29 s LEU 100 Cb 0.04 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3d29 s LEU 100 CO -0.09 0.20 -0.09 -0.63 0.23 0.00 0.00 176.35 175.97 3d29 s ILE 101 N 0.06 2.67 -0.26 -0.59 1.01 0.74 -1.12 121.20 123.71 3d29 s ILE 101 Ca -0.09 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.45 3d29 s ILE 101 Cb -0.15 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3d29 s ILE 101 CO 0.05 0.23 -0.01 -0.83 0.00 0.00 0.00 174.94 174.38 3d29 s GLY 102 N 1.30 1.68 0.09 6.18 0.00 0.10 -0.49 107.32 116.17 3d29 s GLY 102 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.29 3d29 s GLY 102 CO -0.06 0.55 -0.03 -0.32 0.00 0.00 0.00 173.10 173.25 3d29 s GLY 103 N 1.39 0.70 -0.27 0.20 0.00 -0.46 -0.22 107.32 108.66 3d29 s GLY 103 Ca 0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 3d29 s GLY 103 CO -0.02 -1.39 -0.01 -0.47 0.00 0.00 0.00 173.10 171.21 3d29 s TYR 104 N -3.81 3.11 0.00 1.90 6.14 0.27 -0.09 117.35 124.87 3d29 s TYR 104 Ca 0.12 -1.38 0.00 0.00 0.64 0.00 0.00 57.07 56.45 3d29 s TYR 104 Cb 0.07 -2.13 0.00 0.00 0.42 0.00 0.00 41.96 40.32 3d29 s TYR 104 CO -0.06 -0.68 0.00 -3.47 0.64 0.00 0.00 175.55 171.98 3d29 n ASP 105 N 4.73 0.00 0.00 4.32 4.64 -0.55 -4.85 116.55 124.84 3d29 n ASP 105 Ca -0.16 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.25 3d29 n ASP 105 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 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 -3.39 -0.67 5.02 -1.26 -2.85 118.16 115.01 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 -2.00 0.06 0.00 -0.02 0.00 0.00 35.03 33.08 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 -5.63 -3.70 4.39 3.02 -1.26 -5.03 115.26 107.05 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 -4.74 -0.09 0.00 -0.61 0.00 0.00 39.78 34.35 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 -4.92 0.65 0.42 3.52 1.02 -1.13 -5.08 119.74 114.22 3d29 s LYS 107 Ca 0.40 0.39 -0.19 0.00 0.02 0.00 0.00 55.97 56.59 3d29 s LYS 107 Cb -0.08 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.44 3d29 s LYS 107 CO 0.77 -0.13 0.91 -1.25 -0.92 0.00 0.00 175.35 174.73 3d29 s PRO 108 N -0.33 4.13 0.00 -1.68 0.04 -1.26 -1.48 135.00 134.43 3d29 s PRO 108 Ca -0.05 0.99 0.01 0.00 0.04 0.00 0.00 61.00 61.99 3d29 s PRO 108 Cb -0.03 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 3d29 s PRO 108 CO 0.03 -0.03 -0.02 -1.21 0.04 0.00 0.00 177.00 175.80 3d29 s GLU 109 N -3.29 0.20 -0.10 4.56 2.02 0.87 -4.92 118.70 118.03 3d29 s GLU 109 Ca 0.60 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.43 3d29 s GLU 109 Cb -0.09 -0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.02 3d29 s GLU 109 CO 0.17 0.03 -0.10 -1.17 0.02 0.00 0.00 175.26 174.21 3d29 s LEU 110 N -0.27 1.40 -0.07 1.80 2.96 -1.26 -1.36 118.68 121.88 3d29 s LEU 110 Ca -0.01 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3d29 s LEU 110 Cb -0.02 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 3d29 s LEU 110 CO -0.00 -0.06 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.46 3d29 s TYR 111 N 1.36 2.59 -0.17 5.38 2.02 0.35 -1.84 117.35 127.04 3d29 s TYR 111 Ca -0.01 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.15 3d29 s TYR 111 Cb -0.14 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3d29 s TYR 111 CO -0.05 -0.08 -0.07 -1.14 -1.57 0.00 0.00 175.55 172.63 3d29 s GLN 112 N -0.25 3.44 -0.05 -0.62 0.74 0.48 -0.18 119.66 123.22 3d29 s GLN 112 Ca 0.00 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 3d29 s GLN 112 Cb -0.13 -2.85 0.03 0.00 1.10 0.00 0.00 33.01 31.15 3d29 s GLN 112 CO 0.03 0.04 0.01 0.42 -0.55 0.00 0.00 175.29 175.24 3d29 s ILE 113 N 0.85 0.20 0.58 -2.34 1.01 -0.55 -1.41 121.20 119.53 3d29 s ILE 113 Ca -0.02 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.82 3d29 s ILE 113 Cb -0.15 -0.34 0.07 0.00 0.01 0.00 0.00 42.46 42.05 3d29 s ILE 113 CO 0.01 0.19 0.80 1.51 0.00 0.00 0.00 174.94 177.45 3d29 s ASP 114 N 1.54 5.05 0.29 3.58 3.84 -0.93 -0.49 116.67 129.54 3d29 s ASP 114 Ca -0.02 -0.36 0.20 0.00 -0.00 0.00 0.00 52.55 52.36 3d29 s ASP 114 Cb -0.13 -0.34 1.06 0.00 -1.38 0.00 0.00 42.92 42.12 3d29 s ASP 114 CO -0.03 -1.32 1.61 0.00 -0.00 0.00 0.00 175.17 175.43 3d29 n TYR 115 N -2.37 0.67 0.80 2.11 0.18 -0.95 -1.20 117.16 116.40 3d29 n TYR 115 Ca 0.12 0.34 0.13 0.00 1.88 0.00 0.00 57.90 60.37 3d29 n TYR 115 Cb 0.60 -1.05 0.41 0.00 -0.38 0.00 0.00 39.34 38.92 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 -2.19 0.48 0.00 -3.48 4.77 -1.26 -4.53 117.00 110.79 3d29 n LEU 116 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3d29 n LEU 116 Cb 0.04 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3d29 n LEU 116 CO 0.09 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3d29 n GLY 117 N 1.41 1.16 3.59 -0.72 0.00 -0.34 -4.41 105.19 105.87 3d29 n GLY 117 Ca 0.06 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 4.72 -0.07 2.61 2.01 -1.25 -4.85 115.64 116.80 3d29 s THR 118 Ca 0.00 0.89 0.04 0.00 0.31 0.00 0.00 61.69 62.93 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 -0.45 -0.18 -0.75 -0.69 0.00 0.00 174.62 172.55 3d29 s LYS 119 N 3.13 2.74 -0.07 4.92 2.20 -1.26 -2.19 119.74 129.21 3d29 s LYS 119 Ca 0.32 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 3d29 s LYS 119 Cb -0.13 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.86 3d29 s LYS 119 CO 0.17 0.43 0.26 0.54 -0.36 0.00 0.00 175.35 176.39 3d29 s VAL 120 N -0.24 0.02 -0.18 4.02 0.11 -0.50 -5.00 120.40 118.63 3d29 s VAL 120 Ca 0.00 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 58.76 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 -0.11 0.13 -0.70 -3.33 0.00 0.00 175.10 171.12 3d29 s GLU 121 N -0.39 4.05 0.08 1.54 -6.30 -1.26 -0.39 118.70 116.03 3d29 s GLU 121 Ca -0.05 -0.21 -0.07 0.00 -2.50 0.00 0.00 54.97 52.14 3d29 s GLU 121 Cb -0.03 -3.37 -0.01 0.00 0.00 0.00 0.00 34.13 30.72 3d29 s GLU 121 CO 0.01 0.38 0.14 -0.51 0.02 0.00 0.00 175.26 175.31 3d29 s LEU 122 N 0.11 1.66 0.39 2.70 1.43 -0.76 -5.00 118.68 119.20 3d29 s LEU 122 Ca 0.09 -0.74 0.16 0.00 -1.03 0.00 0.00 54.13 52.61 3d29 s LEU 122 Cb -0.11 0.85 0.80 0.00 0.03 0.00 0.00 46.19 47.76 3d29 s LEU 122 CO -0.01 -0.70 1.84 -0.65 0.23 0.00 0.00 176.35 177.06 3d29 h PRO 123 N 2.84 0.00 -1.97 1.29 0.11 -1.89 -3.39 132.00 128.98 3d29 h PRO 123 Ca -0.34 0.00 -0.04 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 0.58 0.35 0.19 1.52 -0.21 0.00 0.00 178.00 180.43 3d29 s TYR 124 N -4.09 -0.70 0.23 0.65 1.13 -1.26 0.11 117.35 113.42 3d29 s TYR 124 Ca -0.02 1.46 -0.11 0.00 -1.41 0.00 0.00 57.07 56.99 3d29 s TYR 124 Cb 0.14 0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 3d29 s TYR 124 CO 0.70 -0.49 0.41 0.20 -2.51 0.00 0.00 175.55 173.87 3d29 s GLY 125 N -0.45 0.63 -0.04 5.49 0.00 0.60 -4.98 107.32 108.57 3d29 s GLY 125 Ca -0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 3d29 s GLY 125 CO 0.05 -0.74 0.69 0.00 0.00 0.00 0.00 173.10 173.10 3d29 s ALA 126 N -4.03 -1.77 0.07 3.20 0.00 -1.26 -0.98 121.76 117.00 3d29 s ALA 126 Ca 0.24 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3d29 s ALA 126 Cb 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3d29 s ALA 126 CO 0.08 -0.39 -0.17 -1.01 0.00 0.00 0.00 175.76 174.27 3d29 s HIS 127 N -1.35 2.58 0.00 0.00 3.76 -0.92 -4.71 115.29 114.65 3d29 s HIS 127 Ca -0.10 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3d29 s HIS 127 Cb -0.00 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3d29 s HIS 127 CO 0.08 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 3d29 n GLY 128 N 1.23 -1.33 0.21 -2.22 0.00 -1.26 -4.21 105.19 97.61 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 -0.77 1.61 0.05 -1.92 -3.27 116.97 112.67 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 0.25 0.77 -1.05 0.00 0.00 178.16 178.35 3d29 h SER 130 N 0.00 0.15 -0.81 3.88 0.02 -1.90 0.33 113.55 115.21 3d29 h SER 130 Ca -0.00 0.14 0.24 0.00 -0.84 0.00 0.00 61.79 61.32 3d29 h SER 130 Cb 0.89 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 3d29 h SER 130 CO 0.03 0.01 0.67 1.23 -1.14 0.00 0.00 176.83 177.62 3d29 h GLY 131 N 0.34 0.00 2.00 -3.77 0.00 -1.81 0.25 103.07 100.08 3d29 h GLY 131 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3d29 h GLY 131 CO -0.49 0.00 0.00 0.74 0.00 0.00 0.00 176.54 176.79 3d29 h PHE 132 N 0.00 0.00 0.00 5.60 0.04 -1.16 -2.75 116.94 118.67 3d29 h PHE 132 Ca 0.39 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.02 3d29 h PHE 132 Cb 1.72 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.84 3d29 h PHE 132 CO 0.00 0.00 -1.53 0.66 -0.60 0.00 0.00 178.31 176.84 3d29 n TYR 133 N -2.56 0.00 0.13 -0.55 4.01 0.72 -4.79 117.16 114.13 3d29 n TYR 133 Ca 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3d29 n TYR 133 Cb 0.24 -0.36 0.08 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 1.21 -0.31 -0.72 1.35 -1.20 -3.21 112.91 110.02 3d29 h THR 134 Ca -0.21 -2.39 -0.02 0.00 -0.55 0.00 0.00 66.41 63.24 3d29 h THR 134 Cb 1.33 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 70.12 3d29 h THR 134 CO -0.03 0.62 0.11 -0.26 -0.25 0.00 0.00 175.52 175.72 3d29 h PHE 135 N 0.00 0.49 -0.04 4.73 0.04 -1.73 -1.43 116.94 119.01 3d29 h PHE 135 Ca -0.01 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.58 3d29 h PHE 135 Cb 1.34 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 3d29 h PHE 135 CO 0.00 0.48 -0.63 0.66 -0.60 0.00 0.00 178.31 178.22 3d29 h SER 136 N 0.35 0.18 0.79 2.17 4.64 -1.82 0.30 113.55 120.15 3d29 h SER 136 Ca 0.10 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3d29 h SER 136 Cb 0.21 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3d29 h SER 136 CO -0.01 0.76 -0.47 0.25 -0.87 0.00 0.00 176.83 176.49 3d29 h LEU 137 N 0.11 -1.19 -1.51 5.97 6.46 -1.52 -2.17 115.31 121.46 3d29 h LEU 137 Ca -0.01 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 3d29 h LEU 137 Cb 1.14 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 3d29 h LEU 137 CO 0.09 -0.74 -0.25 -0.07 -0.62 0.00 0.00 178.44 176.86 3d29 h LEU 138 N -1.18 0.00 -2.78 2.25 3.38 -1.27 0.77 115.31 116.49 3d29 h LEU 138 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3d29 h LEU 138 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3d29 h LEU 138 CO 0.11 0.25 0.01 0.44 0.09 0.00 0.00 178.44 179.34 3d29 h ASP 139 N 0.00 0.00 0.00 -0.43 5.19 -0.54 -1.06 116.42 119.58 3d29 h ASP 139 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3d29 h ASP 139 Cb 0.45 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 3d29 h ASP 139 CO 0.03 0.00 -0.98 1.57 -3.12 0.00 0.00 179.24 176.74 3d29 n HIS 140 N -3.39 0.27 0.28 4.55 -0.00 0.05 -4.65 115.22 112.33 3d29 n HIS 140 Ca -0.03 0.12 0.03 0.00 0.46 0.00 0.00 57.72 58.29 3d29 n HIS 140 Cb 0.08 -0.62 0.15 0.00 -0.12 0.00 0.00 29.99 29.49 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 -4.49 0.80 -4.59 1.57 8.25 0.00 -4.94 115.22 111.83 3d29 n HIS 141 Ca -0.15 -0.28 -0.34 0.00 -0.26 0.00 0.00 57.72 56.69 3d29 n HIS 141 Cb 0.48 -0.26 -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 -1.67 2.95 -0.01 4.41 5.04 -0.41 -4.96 117.35 122.70 3d29 s TYR 142 Ca 0.21 -0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 3d29 s TYR 142 Cb 0.16 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.72 3d29 s TYR 142 CO 0.06 0.27 -0.06 1.03 -1.34 0.00 0.00 175.55 175.50 3d29 s ARG 143 N -0.60 0.59 0.19 4.97 1.81 -1.26 -4.99 118.95 119.65 3d29 s ARG 143 Ca 0.09 -0.21 -0.12 0.00 -1.72 0.00 0.00 55.73 53.77 3d29 s ARG 143 Cb -0.12 -0.58 0.15 0.00 -0.45 0.00 0.00 34.95 33.96 3d29 s ARG 143 CO 0.02 0.11 1.82 -1.35 -0.68 0.00 0.00 175.30 175.21 3d29 h PRO 144 N 6.19 0.65 -0.60 3.54 0.11 -1.98 -3.04 132.00 136.87 3d29 h PRO 144 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3d29 h PRO 144 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3d29 h PRO 144 CO 0.50 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3d29 n ASP 145 N -4.77 1.60 -4.74 -2.05 3.85 -1.26 -2.80 116.55 106.38 3d29 n ASP 145 Ca 0.05 -2.13 -0.34 0.00 -0.71 0.00 0.00 54.79 51.67 3d29 n ASP 145 Cb 0.10 -0.36 0.08 0.00 -1.35 0.00 0.00 41.12 39.59 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 -1.56 2.32 0.70 0.11 -1.94 -1.15 -4.66 119.30 113.11 3d29 s MET 146 Ca 0.12 1.61 -0.07 0.00 -1.71 0.00 0.00 55.69 55.64 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 0.05 -1.66 1.02 0.95 -0.01 0.00 0.00 175.02 175.37 3d29 s THR 147 N -2.16 2.49 0.21 2.05 -4.23 -1.26 -1.23 115.64 111.51 3d29 s THR 147 Ca 0.71 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 3d29 s THR 147 Cb -0.25 -3.08 0.16 0.00 1.34 0.00 0.00 72.50 70.67 3d29 s THR 147 CO 0.45 -0.09 1.84 0.74 -0.54 0.00 0.00 174.62 177.01 3d29 h THR 148 N -0.59 1.23 -0.82 3.99 2.02 -1.96 -0.30 112.91 116.48 3d29 h THR 148 Ca -0.45 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3d29 h THR 148 Cb 1.31 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3d29 h THR 148 CO 0.61 0.26 0.41 -0.08 0.37 0.00 0.00 175.52 177.09 3d29 h GLU 149 N 1.10 1.17 -0.64 6.66 4.57 -2.00 -0.81 114.58 124.63 3d29 h GLU 149 Ca 0.28 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 3d29 h GLU 149 Cb 0.02 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3d29 h GLU 149 CO -0.05 0.89 0.06 0.93 -1.18 0.00 0.00 179.01 179.66 3d29 h GLU 150 N 1.17 1.10 -0.26 1.92 5.08 -1.75 -2.63 114.58 119.21 3d29 h GLU 150 Ca 0.29 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3d29 h GLU 150 Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3d29 h GLU 150 CO -0.04 1.03 0.16 0.78 -1.00 0.00 0.00 179.01 179.95 3d29 h GLY 151 N 1.02 0.36 1.69 -3.84 0.00 -0.27 -0.56 103.07 101.47 3d29 h GLY 151 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.42 3d29 h GLY 151 CO 0.02 0.12 0.15 1.41 0.00 0.00 0.00 176.54 178.24 3d29 h LEU 152 N 0.33 0.15 -0.27 3.11 3.38 -0.97 0.11 115.31 121.15 3d29 h LEU 152 Ca 0.10 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 3d29 h LEU 152 Cb -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3d29 h LEU 152 CO -0.03 0.10 -0.84 0.44 0.09 0.00 0.00 178.44 178.20 3d29 h ASP 153 N 0.17 0.52 -0.20 -0.43 3.45 -1.03 -1.31 116.42 117.59 3d29 h ASP 153 Ca 0.09 -0.38 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 3d29 h ASP 153 Cb 0.16 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3d29 h ASP 153 CO -0.02 1.15 0.01 0.25 -1.57 0.00 0.00 179.24 179.06 3d29 h LEU 154 N 0.26 0.43 -0.04 1.55 5.85 0.54 -1.01 115.31 122.89 3d29 h LEU 154 Ca -0.06 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 3d29 h LEU 154 Cb 1.45 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.38 3d29 h LEU 154 CO 0.15 0.49 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.18 3d29 h LEU 155 N 0.45 0.51 -1.21 2.25 3.38 -0.88 -2.50 115.31 117.31 3d29 h LEU 155 Ca 0.10 -0.71 0.15 0.00 0.09 0.00 0.00 57.88 57.51 3d29 h LEU 155 Cb 0.29 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3d29 h LEU 155 CO 0.01 1.14 0.59 0.50 0.09 0.00 0.00 178.44 180.77 3d29 h LYS 156 N -0.08 0.73 -0.53 1.13 3.64 -0.88 0.59 116.57 121.17 3d29 h LYS 156 Ca -0.05 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3d29 h LYS 156 Cb 1.18 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3d29 h LYS 156 CO 0.10 0.48 0.10 1.25 -2.27 0.00 0.00 179.45 179.11 3d29 h LEU 157 N 0.75 0.83 -0.13 5.20 5.85 -1.10 -1.30 115.31 125.41 3d29 h LEU 157 Ca 0.47 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3d29 h LEU 157 Cb 0.71 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3d29 h LEU 157 CO -0.24 0.88 -0.04 0.00 -0.34 0.00 0.00 178.44 178.70 3d29 h VAL 159 N -0.08 1.21 -0.37 0.00 2.07 0.09 -1.49 116.25 117.68 3d29 h VAL 159 Ca 0.03 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3d29 h VAL 159 Cb 0.48 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3d29 h VAL 159 CO 0.01 0.23 0.08 1.56 0.02 0.00 0.00 177.57 179.47 3d29 h GLN 160 N 1.23 0.60 -0.68 1.57 4.20 -1.20 0.49 115.11 121.32 3d29 h GLN 160 Ca 0.35 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.95 3d29 h GLN 160 Cb -0.09 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 3d29 h GLN 160 CO -0.09 0.65 0.41 1.49 -0.67 0.00 0.00 178.83 180.62 3d29 h GLU 161 N 0.46 0.76 -0.61 1.46 4.57 -1.12 -0.78 114.58 119.30 3d29 h GLU 161 Ca 0.12 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3d29 h GLU 161 Cb 0.33 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3d29 h GLU 161 CO 0.00 0.50 0.09 -0.07 -1.18 0.00 0.00 179.01 178.35 3d29 h LEU 162 N 0.78 0.96 -0.69 1.64 3.38 -0.90 -0.61 115.31 119.87 3d29 h LEU 162 Ca 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 162 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3d29 h LEU 162 CO -0.14 0.97 0.00 -0.33 0.09 0.00 0.00 178.44 179.03 3d29 h GLU 163 N 0.94 0.00 0.04 1.13 5.08 -0.17 -1.80 114.58 119.80 3d29 h GLU 163 Ca 0.19 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.31 3d29 h GLU 163 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3d29 h GLU 163 CO 0.01 0.00 -1.28 -0.22 -1.00 0.00 0.00 179.01 176.52 3d29 h LYS 164 N 0.00 0.08 0.00 2.33 3.64 -0.57 -3.43 116.57 118.62 3d29 h LYS 164 Ca 0.00 -0.13 -0.28 0.00 -1.27 0.00 0.00 60.65 58.97 3d29 h LYS 164 Cb 0.57 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 3d29 h LYS 164 CO 0.00 1.06 -2.21 0.54 -2.27 0.00 0.00 179.45 176.58 3d29 n ARG 165 N -4.23 0.68 -2.15 1.90 5.12 -0.29 -4.99 116.66 112.69 3d29 n ARG 165 Ca -0.29 -0.02 -0.39 0.00 -1.93 0.00 0.00 57.85 55.22 3d29 n ARG 165 Cb 0.75 -1.55 -0.01 0.00 -1.16 0.00 0.00 32.46 30.49 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 -2.74 4.05 0.12 5.56 -1.94 -0.68 -4.97 119.30 118.70 3d29 s MET 166 Ca -0.09 2.04 -0.17 0.00 -1.71 0.00 0.00 55.69 55.76 3d29 s MET 166 Cb 0.08 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 3d29 s MET 166 CO 0.84 -0.39 1.68 -1.35 -0.01 0.00 0.00 175.02 175.79 3d29 h PRO 167 N 2.75 0.51 -6.94 2.03 0.11 -1.94 -3.46 132.00 125.06 3d29 h PRO 167 Ca -0.49 -0.09 -0.49 0.00 0.11 0.00 0.00 66.00 65.04 3d29 h PRO 167 Cb 1.24 -0.08 0.04 0.00 0.11 0.00 0.00 31.00 32.30 3d29 h PRO 167 CO 0.63 0.49 0.10 -1.64 -0.21 0.00 0.00 178.00 177.37 3d29 s MET 168 N -5.59 3.43 -0.61 1.05 -1.94 -1.26 -5.04 119.30 109.34 3d29 s MET 168 Ca -0.13 0.13 -0.17 0.00 -1.71 0.00 0.00 55.69 53.80 3d29 s MET 168 Cb 0.09 -2.38 0.13 0.00 2.01 0.00 0.00 34.83 34.68 3d29 s MET 168 CO 0.74 -0.26 0.66 0.34 -0.01 0.00 0.00 175.02 176.48 3d29 s ASP 169 N -4.14 6.27 0.00 3.03 -1.08 -1.26 -4.91 116.67 114.58 3d29 s ASP 169 Ca 0.48 -1.74 0.19 0.00 -0.52 0.00 0.00 52.55 50.97 3d29 s ASP 169 Cb -0.10 -2.26 1.05 0.00 -1.46 0.00 0.00 42.92 40.15 3d29 s ASP 169 CO 0.44 -0.96 1.69 2.22 0.52 0.00 0.00 175.17 179.09 3d29 n PHE 170 N 5.67 0.04 -3.54 -5.34 1.16 -1.26 -4.87 117.46 109.32 3d29 n PHE 170 Ca -0.07 -0.02 -0.24 0.00 -1.87 0.00 0.00 57.45 55.25 3d29 n PHE 170 Cb 0.42 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.36 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 -0.57 -7.30 -0.42 3.97 4.76 -1.26 -1.48 118.16 115.86 3d29 n LYS 171 Ca 0.15 0.82 0.06 0.00 -2.87 0.00 0.00 58.31 56.46 3d29 n LYS 171 Cb 0.12 -5.83 -0.01 0.00 -1.84 0.00 0.00 35.03 27.46 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 -1.91 -1.89 3.45 0.72 0.00 -1.26 -4.28 105.19 100.03 3d29 n GLY 172 Ca -0.01 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.97 1.05 -0.12 1.61 -7.23 -1.26 -1.30 120.40 112.17 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 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.23 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 -3.32 2.11 -0.07 -0.62 1.01 -0.65 -4.87 121.20 114.78 3d29 s ILE 174 Ca 0.35 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3d29 s ILE 174 Cb 0.08 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 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 0.59 3.93 0.02 2.92 1.01 -1.26 -1.89 120.40 125.73 3d29 s VAL 175 Ca -0.12 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3d29 s VAL 175 Cb -0.17 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3d29 s VAL 175 CO 0.03 0.59 -0.06 -0.54 0.00 0.00 0.00 175.10 175.12 3d29 s LYS 176 N -0.88 0.42 -0.07 2.72 1.02 0.04 -1.52 119.74 121.47 3d29 s LYS 176 Ca 0.13 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.64 3d29 s LYS 176 Cb -0.11 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 3d29 s LYS 176 CO 0.02 0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.71 3d29 s ILE 177 N -0.97 2.50 -0.14 2.17 1.01 0.64 -1.46 121.20 124.94 3d29 s ILE 177 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3d29 s ILE 177 Cb -0.07 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.45 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 2.14 0.28 2.92 1.01 -0.00 -1.48 120.40 125.03 3d29 s VAL 178 Ca -0.01 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3d29 s VAL 178 Cb -0.13 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3d29 s VAL 178 CO 0.03 0.54 0.48 -0.90 0.00 0.00 0.00 175.10 175.26 3d29 n ASP 179 N 4.09 -1.39 -0.06 3.32 5.68 -0.40 -0.99 116.55 126.80 3d29 n ASP 179 Ca -0.20 -2.30 0.23 0.00 -0.50 0.00 0.00 54.79 52.02 3d29 n ASP 179 Cb 0.51 2.41 0.53 0.00 -1.14 0.00 0.00 41.12 43.44 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 -0.74 0.11 2.10 -1.93 0.39 116.57 116.51 3d29 h LYS 180 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3d29 h LYS 180 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 3d29 h LYS 180 CO 0.30 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.50 3d29 n ASP 181 N -3.33 4.02 0.00 7.07 8.00 -1.26 -5.07 116.55 125.98 3d29 n ASP 181 Ca 0.16 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3d29 n ASP 181 Cb 1.15 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 1.64 0.10 3.29 0.44 0.00 0.14 -4.99 105.19 105.81 3d29 n GLY 183 Ca 0.25 -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 2.29 0.04 -0.61 1.01 -1.23 -1.28 121.20 121.42 3d29 s ILE 184 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3d29 s ILE 184 Cb 0.00 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 3d29 s ILE 184 CO 0.00 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.54 3d29 s ARG 185 N -0.03 0.52 -0.18 2.79 1.70 -0.55 -4.98 118.95 118.22 3d29 s ARG 185 Ca -0.07 -0.82 -0.06 0.00 -0.47 0.00 0.00 55.73 54.32 3d29 s ARG 185 Cb -0.15 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 3d29 s ARG 185 CO 0.05 -0.11 0.03 -1.14 -1.08 0.00 0.00 175.30 173.05 3d29 s GLN 186 N -2.59 3.85 -1.18 3.89 0.74 -1.26 -0.26 119.66 122.84 3d29 s GLN 186 Ca -0.05 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 54.74 3d29 s GLN 186 Cb -0.01 -3.14 0.06 0.00 1.10 0.00 0.00 33.01 31.01 3d29 s GLN 186 CO -0.05 0.21 1.64 0.08 -0.55 0.00 0.00 175.29 176.62 3d29 s VAL 187 N 0.52 4.02 -1.09 1.34 1.01 -0.58 -4.81 120.40 120.81 3d29 s VAL 187 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.57 3d29 s VAL 187 Cb -0.13 -5.11 0.00 0.00 0.00 0.00 0.00 36.38 31.14 3d29 s VAL 187 CO 0.01 -1.95 0.96 -0.90 0.00 0.00 0.00 175.10 173.23 3d29 n ASP 188 N 8.86 0.00 -3.91 3.32 3.85 -1.26 -3.82 116.55 123.59 3d29 n ASP 188 Ca 0.43 0.45 -0.28 0.00 -0.71 0.00 0.00 54.79 54.68 3d29 n ASP 188 Cb 0.48 -0.45 -0.12 0.00 -1.35 0.00 0.00 41.12 39.67 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 -2.91 4.78 0.00 -1.12 -4.77 -1.26 -4.71 116.67 106.68 3d29 s ASP 189 Ca 0.00 -3.77 0.00 0.00 -3.30 0.00 0.00 52.55 45.49 3d29 s ASP 189 Cb 0.00 -1.64 0.00 0.00 -1.09 0.00 0.00 42.92 40.19 3d29 s ASP 189 CO 0.01 -0.10 0.00 0.33 0.70 0.00 0.00 175.17 176.11 3d29 n PHE 190 N 2.09 0.00 0.31 2.11 -0.00 -1.25 -4.31 117.46 116.42 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 0.11 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 0.16 0.00 -4.13 3.00 -1.26 -3.30 117.38 111.29 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 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 28.87 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 -0.87 0.00 0.98 -1.58 0.00 -1.26 -5.20 120.51 112.59 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