#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s ASP 1 N 0.00 3.46 -0.26 6.12 1.01 -1.26 -4.96 116.67 120.78 3gpw s ASP 1 Ca 0.00 0.52 -0.12 0.00 0.71 0.00 0.00 52.55 53.66 3gpw s ASP 1 Cb 0.00 -0.77 -0.05 0.00 1.01 0.00 0.00 42.92 43.11 3gpw s ASP 1 CO 0.00 -2.54 0.25 -0.63 0.21 0.00 0.00 175.17 172.46 3gpw s ILE 2 N -3.68 5.28 -0.24 0.77 -1.09 -1.26 -4.83 121.20 116.15 3gpw s ILE 2 Ca 0.69 0.32 -0.00 0.00 -2.23 0.00 0.00 60.65 59.43 3gpw s ILE 2 Cb -0.08 -3.58 0.07 0.00 -1.58 0.00 0.00 42.46 37.29 3gpw s ILE 2 CO 0.52 0.25 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.84 3gpw s ILE 3 N 1.66 1.27 0.05 2.92 -1.09 -1.26 -1.45 121.20 123.30 3gpw s ILE 3 Ca 0.10 -1.16 0.06 0.00 -2.23 0.00 0.00 60.65 57.42 3gpw s ILE 3 Cb -0.15 -1.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 3gpw s ILE 3 CO 0.09 -0.22 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.64 3gpw s LEU 4 N 1.50 2.19 -0.05 2.97 1.43 0.07 -2.84 118.68 123.96 3gpw s LEU 4 Ca -0.02 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3gpw s LEU 4 Cb -0.18 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.24 3gpw s LEU 4 CO -0.09 0.09 0.12 -0.83 0.23 0.00 0.00 176.35 175.87 3gpw s GLY 5 N -1.28 -0.09 -0.02 -3.19 0.00 -0.26 -0.80 107.32 101.68 3gpw s GLY 5 Ca 0.05 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.10 3gpw s GLY 5 CO 0.02 0.29 0.04 -1.50 0.00 0.00 0.00 173.10 171.95 3gpw s ILE 6 N 0.04 -0.07 -0.35 0.90 1.10 0.21 -1.10 121.20 121.93 3gpw s ILE 6 Ca -0.00 0.26 -0.12 0.00 -0.51 0.00 0.00 60.65 60.28 3gpw s ILE 6 Cb -0.01 -0.10 0.00 0.00 0.15 0.00 0.00 42.46 42.51 3gpw s ILE 6 CO 0.00 0.11 0.22 -0.60 -2.11 0.00 0.00 174.94 172.56 3gpw s ARG 7 N 1.29 3.21 0.00 3.50 3.52 0.43 -0.11 118.95 130.79 3gpw s ARG 7 Ca -0.06 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 3gpw s ARG 7 Cb -0.13 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 3gpw s ARG 7 CO -0.03 -0.55 0.00 1.33 -0.81 0.00 0.00 175.30 175.24 3gpw n VAL 8 N 5.06 0.00 0.03 7.11 0.24 0.02 -4.83 118.33 125.96 3gpw n VAL 8 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 3gpw n VAL 8 Cb 0.48 -1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 31.77 3gpw n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3gpw h GLN 9 N 0.00 -0.30 0.00 7.34 5.75 -1.32 -3.34 115.11 123.25 3gpw h GLN 9 Ca 0.00 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3gpw h GLN 9 Cb 0.00 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3gpw h GLN 9 CO 0.00 -0.20 -0.21 -0.25 -2.65 0.00 0.00 178.83 175.52 3gpw n ASP 10 N -5.35 1.63 -3.67 -0.69 8.00 -1.26 -4.62 116.55 110.58 3gpw n ASP 10 Ca -0.04 -2.83 -0.05 0.00 0.71 0.00 0.00 54.79 52.58 3gpw n ASP 10 Cb 0.26 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 3gpw n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gpw s SER 11 N -2.38 -0.24 -0.08 -2.24 1.04 -1.25 -4.44 113.70 104.10 3gpw s SER 11 Ca 0.24 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.44 3gpw s SER 11 Cb 0.22 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 3gpw s SER 11 CO 0.01 -0.83 -0.22 -0.69 0.98 0.00 0.00 173.24 172.48 3gpw s VAL 12 N -3.26 2.27 -0.12 5.02 1.01 -0.41 -0.80 120.40 124.11 3gpw s VAL 12 Ca 0.10 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3gpw s VAL 12 Cb -0.01 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3gpw s VAL 12 CO -0.01 0.56 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 3gpw s ILE 13 N 0.03 2.73 -0.12 2.22 1.01 0.84 -0.96 121.20 126.95 3gpw s ILE 13 Ca -0.09 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3gpw s ILE 13 Cb -0.15 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3gpw s ILE 13 CO 0.05 0.54 -0.21 -0.76 0.00 0.00 0.00 174.94 174.56 3gpw s LEU 14 N 0.30 2.22 -0.09 2.97 1.43 -0.61 -0.62 118.68 124.28 3gpw s LEU 14 Ca -0.13 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3gpw s LEU 14 Cb -0.16 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3gpw s LEU 14 CO 0.07 0.13 -0.20 0.00 0.23 0.00 0.00 176.35 176.58 3gpw s ALA 15 N 0.54 2.38 -0.03 4.21 0.00 0.02 -1.40 121.76 127.49 3gpw s ALA 15 Ca -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3gpw s ALA 15 Cb -0.17 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3gpw s ALA 15 CO 0.04 0.36 0.05 -1.12 0.00 0.00 0.00 175.76 175.10 3gpw s SER 16 N 0.00 0.04 0.60 0.00 0.01 -0.81 -0.75 113.70 112.79 3gpw s SER 16 Ca -0.07 0.09 -0.19 0.00 1.31 0.00 0.00 55.95 57.10 3gpw s SER 16 Cb -0.15 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 3gpw s SER 16 CO 0.05 -0.13 0.97 -1.54 0.41 0.00 0.00 173.24 173.00 3gpw n SER 17 N 4.19 0.82 -0.05 2.44 3.41 -0.53 -1.06 113.62 122.84 3gpw n SER 17 Ca -0.28 0.81 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 3gpw n SER 17 Cb 0.50 -1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 3gpw n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gpw n LYS 18 N -1.00 0.13 -2.70 4.33 5.02 -0.35 -4.64 118.16 118.95 3gpw n LYS 18 Ca 0.14 -0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 3gpw n LYS 18 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 3gpw n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gpw s ALA 19 N -2.94 3.21 -0.26 7.82 0.00 -0.93 -1.00 121.76 127.66 3gpw s ALA 19 Ca 0.10 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 3gpw s ALA 19 Cb 0.17 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 20.15 3gpw s ALA 19 CO 0.80 0.06 0.05 0.08 0.00 0.00 0.00 175.76 176.76 3gpw s VAL 20 N -1.56 0.87 -0.15 0.00 1.01 -0.29 -4.92 120.40 115.37 3gpw s VAL 20 Ca 0.51 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3gpw s VAL 20 Cb -0.21 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3gpw s VAL 20 CO 0.26 -0.44 0.03 -0.89 0.00 0.00 0.00 175.10 174.07 3gpw s THR 21 N 1.66 4.50 -0.44 3.92 2.01 -1.26 -1.29 115.64 124.74 3gpw s THR 21 Ca 0.04 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.92 3gpw s THR 21 Cb -0.17 -2.98 0.12 0.00 0.01 0.00 0.00 72.50 69.48 3gpw s THR 21 CO -0.17 0.51 0.20 -0.13 -0.69 0.00 0.00 174.62 174.35 3gpw s ARG 22 N -0.01 1.49 6.34 4.92 1.81 -0.37 -4.95 118.95 128.18 3gpw s ARG 22 Ca 0.04 -2.09 0.00 0.00 -1.72 0.00 0.00 55.73 51.96 3gpw s ARG 22 Cb -0.13 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.60 3gpw s ARG 22 CO 0.01 -1.09 0.00 0.41 -0.68 0.00 0.00 175.30 173.96 3gpw n GLY 23 N 3.66 1.78 0.09 -3.53 0.00 -1.26 -3.31 105.19 102.62 3gpw n GLY 23 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3gpw n GLY 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gpw h ILE 24 N 0.00 0.00 -3.66 -0.61 6.09 -2.03 -3.47 117.51 113.82 3gpw h ILE 24 Ca 0.00 -0.54 -0.50 0.00 -1.37 0.00 0.00 64.86 62.45 3gpw h ILE 24 Cb 0.00 1.27 -0.20 0.00 0.47 0.00 0.00 36.82 38.36 3gpw h ILE 24 CO 0.00 0.00 -0.79 -0.44 -3.07 0.00 0.00 178.15 173.85 3gpw s SER 25 N -4.49 2.36 -0.60 2.19 0.01 -1.21 -5.09 113.70 106.87 3gpw s SER 25 Ca 0.07 -0.76 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 3gpw s SER 25 Cb 0.12 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.34 3gpw s SER 25 CO 0.69 -0.03 0.72 -0.69 0.41 0.00 0.00 173.24 174.33 3gpw s VAL 26 N -1.66 4.81 0.28 3.43 1.01 -1.26 -1.23 120.40 125.77 3gpw s VAL 26 Ca 0.09 -1.01 0.19 0.00 0.00 0.00 0.00 61.98 61.26 3gpw s VAL 26 Cb -0.08 -4.50 0.16 0.00 0.00 0.00 0.00 36.38 31.97 3gpw s VAL 26 CO 0.04 -1.14 1.84 -0.07 0.00 0.00 0.00 175.10 175.77 3gpw h LEU 27 N 9.99 0.00 -7.26 3.92 3.38 -1.56 -3.45 115.31 120.33 3gpw h LEU 27 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3gpw h LEU 27 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 3gpw h LEU 27 CO 1.10 0.31 -0.10 -0.75 0.09 0.00 0.00 178.44 179.09 3gpw s LYS 28 N -3.89 0.71 -0.12 1.13 2.20 -1.18 -5.01 119.74 113.59 3gpw s LYS 28 Ca -0.01 0.35 0.14 0.00 -0.36 0.00 0.00 55.97 56.09 3gpw s LYS 28 Cb 0.12 0.34 0.31 0.00 -1.51 0.00 0.00 37.83 37.08 3gpw s LYS 28 CO 0.67 -0.16 1.15 -0.40 -0.36 0.00 0.00 175.35 176.25 3gpw n ASP 29 N 1.95 1.56 -0.86 1.43 3.85 -1.26 -1.14 116.55 122.08 3gpw n ASP 29 Ca -0.17 -3.02 0.02 0.00 -0.71 0.00 0.00 54.79 50.91 3gpw n ASP 29 Cb 0.56 -0.41 0.01 0.00 -1.35 0.00 0.00 41.12 39.94 3gpw n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3gpw n SER 30 N -0.81 0.41 -4.73 -1.12 3.41 -1.04 -4.63 113.62 105.10 3gpw n SER 30 Ca 0.13 -2.03 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 3gpw n SER 30 Cb 0.74 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 3gpw n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gpw s ASP 31 N -1.41 6.97 -0.52 4.04 -1.08 -0.17 -5.00 116.67 119.52 3gpw s ASP 31 Ca 0.13 2.30 -0.11 0.00 -0.52 0.00 0.00 52.55 54.35 3gpw s ASP 31 Cb 0.15 -2.60 0.13 0.00 -1.46 0.00 0.00 42.92 39.14 3gpw s ASP 31 CO -0.06 -0.48 0.42 -0.62 0.52 0.00 0.00 175.17 174.94 3gpw s ASP 32 N 0.41 5.87 -0.46 -0.34 3.68 -1.26 -4.32 116.67 120.25 3gpw s ASP 32 Ca 0.56 -1.98 -0.07 0.00 2.13 0.00 0.00 52.55 53.20 3gpw s ASP 32 Cb -0.34 -2.07 -0.17 0.00 -1.45 0.00 0.00 42.92 38.89 3gpw s ASP 32 CO 0.36 -0.71 3.32 0.29 0.13 0.00 0.00 175.17 178.56 3gpw n LYS 33 N 4.87 2.53 -3.91 4.34 5.02 -1.26 -4.84 118.16 124.90 3gpw n LYS 33 Ca -0.07 -1.55 -0.09 0.00 -2.02 0.00 0.00 58.31 54.59 3gpw n LYS 33 Cb 0.41 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 33.12 3gpw n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3gpw s THR 34 N 0.71 0.15 -0.06 -0.18 -1.32 -1.26 -2.08 115.64 111.60 3gpw s THR 34 Ca 0.66 -1.27 -0.03 0.00 -1.21 0.00 0.00 61.69 59.84 3gpw s THR 34 Cb 0.29 -1.28 0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3gpw s THR 34 CO -0.05 -0.70 0.14 -0.13 -2.21 0.00 0.00 174.62 171.67 3gpw s ARG 35 N -3.60 0.10 -0.23 7.08 1.81 -0.58 -5.01 118.95 118.53 3gpw s ARG 35 Ca 0.03 0.30 -0.26 0.00 -1.72 0.00 0.00 55.73 54.09 3gpw s ARG 35 Cb 0.04 -0.10 -0.00 0.00 -0.45 0.00 0.00 34.95 34.43 3gpw s ARG 35 CO -0.09 -0.12 0.87 -1.14 -0.68 0.00 0.00 175.30 174.14 3gpw s GLN 36 N 0.83 4.21 0.03 3.54 0.74 -1.26 -1.77 119.66 125.97 3gpw s GLN 36 Ca -0.06 1.04 0.09 0.00 0.05 0.00 0.00 55.36 56.48 3gpw s GLN 36 Cb -0.08 -3.63 -0.23 0.00 1.10 0.00 0.00 33.01 30.17 3gpw s GLN 36 CO -0.04 -0.52 0.92 -0.07 -0.55 0.00 0.00 175.29 175.04 3gpw h LEU 37 N 9.12 0.03 -7.39 3.68 3.38 -1.36 -3.47 115.31 119.29 3gpw h LEU 37 Ca -0.23 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.78 3gpw h LEU 37 Cb 1.09 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 3gpw h LEU 37 CO 0.89 1.04 0.35 -0.94 0.09 0.00 0.00 178.44 179.87 3gpw s SER 38 N -6.40 -0.35 0.52 -0.43 1.04 -1.13 -4.29 113.70 102.65 3gpw s SER 38 Ca -0.03 -0.24 0.37 0.00 0.48 0.00 0.00 55.95 56.54 3gpw s SER 38 Cb 0.09 0.55 1.53 0.00 0.10 0.00 0.00 66.02 68.29 3gpw s SER 38 CO 0.82 -0.95 1.72 1.55 0.98 0.00 0.00 173.24 177.36 3gpw h PRO 39 N 2.00 0.06 -0.13 4.02 0.13 -2.01 -1.33 132.00 134.74 3gpw h PRO 39 Ca -0.25 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3gpw h PRO 39 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3gpw h PRO 39 CO 0.30 0.04 0.00 0.72 -0.23 0.00 0.00 178.00 178.82 3gpw n HIS 40 N -4.24 0.41 -3.82 1.56 8.25 -1.26 -3.62 115.22 112.50 3gpw n HIS 40 Ca 0.32 -0.87 -0.19 0.00 -0.26 0.00 0.00 57.72 56.71 3gpw n HIS 40 Cb 1.43 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 32.17 3gpw n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gpw s THR 41 N -2.57 0.15 0.01 1.59 2.01 -0.50 -0.52 115.64 115.81 3gpw s THR 41 Ca 0.33 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.59 3gpw s THR 41 Cb 0.27 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.45 3gpw s THR 41 CO 0.06 0.18 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.71 3gpw s LEU 42 N 1.57 2.10 -0.09 4.42 2.96 0.81 -0.86 118.68 129.58 3gpw s LEU 42 Ca -0.02 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3gpw s LEU 42 Cb -0.13 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.33 3gpw s LEU 42 CO -0.03 0.28 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.82 3gpw s MET 43 N -0.84 2.02 0.21 1.98 -2.45 -0.73 -0.24 119.30 119.25 3gpw s MET 43 Ca 0.10 -0.50 0.05 0.00 -1.25 0.00 0.00 55.69 54.09 3gpw s MET 43 Cb -0.10 -1.71 -0.03 0.00 1.25 0.00 0.00 34.83 34.24 3gpw s MET 43 CO 0.00 -0.03 0.23 -1.54 1.05 0.00 0.00 175.02 174.73 3gpw s SER 44 N 0.89 5.84 -0.01 1.11 1.04 -0.03 -1.53 113.70 121.01 3gpw s SER 44 Ca -0.09 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.02 3gpw s SER 44 Cb -0.15 -1.60 0.05 0.00 0.10 0.00 0.00 66.02 64.42 3gpw s SER 44 CO 0.00 -0.00 0.53 0.72 0.98 0.00 0.00 173.24 175.47 3gpw s PHE 45 N -1.93 -0.46 -0.07 5.02 -0.12 -0.89 -1.91 117.98 117.63 3gpw s PHE 45 Ca 0.33 0.69 -0.17 0.00 -0.05 0.00 0.00 56.93 57.73 3gpw s PHE 45 Cb -0.09 0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3gpw s PHE 45 CO 0.26 -0.56 0.40 0.00 -0.05 0.00 0.00 175.22 175.27 3gpw s ALA 46 N -1.60 -1.02 0.00 1.99 0.00 -0.62 -4.88 121.76 115.63 3gpw s ALA 46 Ca -0.10 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3gpw s ALA 46 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3gpw s ALA 46 CO 0.05 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3gpw n GLY 47 N 1.74 -0.43 3.76 0.00 0.00 -1.26 -0.81 105.19 108.19 3gpw n GLY 47 Ca -0.18 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 3gpw n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gpw s GLU 48 N -2.00 4.20 0.00 1.61 2.56 -0.00 -4.88 118.70 120.18 3gpw s GLU 48 Ca 0.00 2.44 0.00 0.00 0.00 0.00 0.00 54.97 57.41 3gpw s GLU 48 Cb 0.00 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 33.09 3gpw s GLU 48 CO 0.00 -0.48 0.37 0.00 -0.56 0.00 0.00 175.26 174.59 3gpw n ALA 49 N 1.55 0.00 0.13 6.30 0.00 -1.26 -2.09 120.51 125.14 3gpw n ALA 49 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 3gpw n ALA 49 Cb 0.39 0.18 -0.16 0.00 0.00 0.00 0.00 19.45 19.87 3gpw n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gpw h GLY 50 N 0.00 0.55 0.03 0.00 0.00 -1.99 -3.36 103.07 98.31 3gpw h GLY 50 Ca 0.00 -1.41 0.21 0.00 0.00 0.00 0.00 47.33 46.13 3gpw h GLY 50 CO 0.00 1.24 0.61 -0.55 0.00 0.00 0.00 176.54 177.83 3gpw h ASP 51 N 0.13 0.75 0.04 0.19 3.32 -1.91 -2.99 116.42 115.95 3gpw h ASP 51 Ca -0.24 0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.94 3gpw h ASP 51 Cb 2.13 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 41.61 3gpw h ASP 51 CO 0.26 0.22 -0.51 0.00 -1.72 0.00 0.00 179.24 177.49 3gpw h THR 52 N 0.70 0.04 -0.17 0.35 1.03 -1.56 -0.27 112.91 113.02 3gpw h THR 52 Ca 0.60 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.87 3gpw h THR 52 Cb 1.01 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.13 3gpw h THR 52 CO -0.41 0.00 -0.42 0.58 -0.01 0.00 0.00 175.52 175.26 3gpw h VAL 53 N -0.68 1.34 -0.93 0.00 2.07 -1.77 -2.58 116.25 113.69 3gpw h VAL 53 Ca 0.02 -1.67 0.14 0.00 0.82 0.00 0.00 66.70 66.01 3gpw h VAL 53 Cb 0.72 1.95 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 3gpw h VAL 53 CO -0.33 0.51 0.54 1.56 0.02 0.00 0.00 177.57 179.88 3gpw h GLN 54 N 0.24 0.77 0.17 1.57 1.08 -1.43 0.13 115.11 117.65 3gpw h GLN 54 Ca -0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3gpw h GLN 54 Cb 1.03 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 3gpw h GLN 54 CO 0.09 0.51 -0.08 0.35 -0.95 0.00 0.00 178.83 178.75 3gpw h PHE 55 N 0.80 -0.21 -0.51 2.96 3.04 -1.01 -1.53 116.94 120.48 3gpw h PHE 55 Ca 0.49 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.53 3gpw h PHE 55 Cb 0.62 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 39.13 3gpw h PHE 55 CO -0.04 0.16 0.06 0.00 -2.02 0.00 0.00 178.31 176.47 3gpw h ALA 56 N 0.10 0.53 -0.48 2.41 0.00 -0.91 -0.33 119.26 120.58 3gpw h ALA 56 Ca -0.02 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3gpw h ALA 56 Cb 0.46 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3gpw h ALA 56 CO 0.04 -0.35 -0.09 0.93 0.00 0.00 0.00 179.25 179.78 3gpw h GLU 57 N 0.18 0.86 -0.71 0.00 5.08 -0.80 -0.47 114.58 118.72 3gpw h GLU 57 Ca 0.26 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3gpw h GLU 57 Cb 0.37 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3gpw h GLU 57 CO -0.38 0.91 0.45 -0.92 -1.00 0.00 0.00 179.01 178.08 3gpw h TYR 58 N 0.78 0.91 -0.28 4.33 3.20 -0.25 0.22 116.97 125.88 3gpw h TYR 58 Ca 0.13 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3gpw h TYR 58 Cb 0.59 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3gpw h TYR 58 CO 0.03 0.59 -0.03 0.82 -1.64 0.00 0.00 178.16 177.94 3gpw h ILE 59 N 0.96 1.27 -0.16 1.81 1.08 -0.79 -2.67 117.51 119.00 3gpw h ILE 59 Ca 0.26 -1.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.77 3gpw h ILE 59 Cb -0.07 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 3gpw h ILE 59 CO -0.05 0.32 -0.20 -0.61 -0.69 0.00 0.00 178.15 176.92 3gpw h GLN 60 N 0.28 -0.23 -0.42 2.37 4.15 -0.62 -1.60 115.11 119.05 3gpw h GLN 60 Ca 0.08 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.60 3gpw h GLN 60 Cb 0.48 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.13 3gpw h GLN 60 CO 0.02 -0.15 -0.23 0.00 -1.93 0.00 0.00 178.83 176.54 3gpw h ALA 61 N 0.80 0.06 -0.72 3.38 0.00 -0.88 -1.06 119.26 120.83 3gpw h ALA 61 Ca 0.11 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gpw h ALA 61 Cb 0.40 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3gpw h ALA 61 CO -0.30 -0.59 0.45 -0.91 0.00 0.00 0.00 179.25 177.90 3gpw h ASN 62 N -0.15 0.85 -0.22 0.00 4.21 -1.04 -0.49 115.58 118.75 3gpw h ASN 62 Ca 0.20 -0.04 -0.16 0.00 1.21 0.00 0.00 56.30 57.51 3gpw h ASN 62 Cb 0.46 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 3gpw h ASN 62 CO -0.51 0.65 -0.50 0.40 -1.29 0.00 0.00 177.43 176.18 3gpw h ILE 63 N 0.99 1.31 -0.93 2.81 1.08 -0.56 -1.65 117.51 120.55 3gpw h ILE 63 Ca 0.26 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.01 3gpw h ILE 63 Cb -0.06 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 3gpw h ILE 63 CO -0.05 0.54 0.54 1.56 -0.69 0.00 0.00 178.15 180.05 3gpw h GLN 64 N 0.43 1.27 -0.81 2.37 4.20 -0.88 0.76 115.11 122.45 3gpw h GLN 64 Ca -0.00 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3gpw h GLN 64 Cb 1.11 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3gpw h GLN 64 CO 0.11 0.90 0.40 1.25 -0.67 0.00 0.00 178.83 180.82 3gpw h LEU 65 N 1.29 1.06 -0.52 1.46 5.85 -0.98 -1.32 115.31 122.15 3gpw h LEU 65 Ca 0.33 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3gpw h LEU 65 Cb -0.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3gpw h LEU 65 CO -0.06 0.90 -0.01 0.22 -0.34 0.00 0.00 178.44 179.15 3gpw h TYR 66 N 1.15 1.01 -1.00 1.25 3.20 -0.30 -1.45 116.97 120.83 3gpw h TYR 66 Ca 0.28 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.98 3gpw h TYR 66 Cb 0.11 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 3gpw h TYR 66 CO 0.01 0.93 0.65 0.77 -1.64 0.00 0.00 178.16 178.89 3gpw h SER 67 N 0.79 1.15 -0.01 -2.11 0.02 -0.40 -1.19 113.55 111.81 3gpw h SER 67 Ca 0.15 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3gpw h SER 67 Cb 0.54 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3gpw h SER 67 CO 0.03 0.84 -0.01 0.40 -1.14 0.00 0.00 176.83 176.95 3gpw h ILE 68 N 1.35 1.41 -0.61 3.27 1.08 -1.09 0.36 117.51 123.29 3gpw h ILE 68 Ca 0.36 -1.23 0.07 0.00 -0.39 0.00 0.00 64.86 63.67 3gpw h ILE 68 Cb -0.15 2.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.78 3gpw h ILE 68 CO -0.08 0.32 0.29 -0.09 -0.69 0.00 0.00 178.15 177.90 3gpw h ARG 69 N -0.50 0.51 -0.01 2.37 2.43 -1.07 -2.97 114.38 115.14 3gpw h ARG 69 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gpw h ARG 69 Cb 0.53 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3gpw h ARG 69 CO 0.00 0.34 -0.64 0.39 -1.51 0.00 0.00 179.97 178.55 3gpw n GLU 70 N -4.90 0.73 -3.99 0.20 4.71 -0.47 -4.97 120.64 111.96 3gpw n GLU 70 Ca 0.08 -0.59 -0.27 0.00 -0.01 0.00 0.00 57.16 56.37 3gpw n GLU 70 Cb 0.21 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.13 3gpw n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3gpw n ASP 71 N -0.62 -0.36 -3.57 1.62 4.64 0.12 -4.94 116.55 113.45 3gpw n ASP 71 Ca 0.08 -1.05 -0.14 0.00 -1.38 0.00 0.00 54.79 52.30 3gpw n ASP 71 Cb 0.41 -2.85 -0.05 0.00 -1.04 0.00 0.00 41.12 37.59 3gpw n ASP 71 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3gpw s TYR 72 N -4.00 -0.44 -0.27 -0.67 5.04 -1.13 -5.06 117.35 110.83 3gpw s TYR 72 Ca 0.03 0.50 -0.06 0.00 -2.44 0.00 0.00 57.07 55.09 3gpw s TYR 72 Cb -0.01 0.35 -0.00 0.00 0.35 0.00 0.00 41.96 42.65 3gpw s TYR 72 CO 0.90 -0.65 0.05 -2.00 -1.34 0.00 0.00 175.55 172.51 3gpw s GLU 73 N -2.43 3.29 0.50 4.97 2.12 -1.26 -4.16 118.70 121.72 3gpw s GLU 73 Ca -0.05 -0.71 -0.23 0.00 0.36 0.00 0.00 54.97 54.33 3gpw s GLU 73 Cb -0.01 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 3gpw s GLU 73 CO -0.02 -0.32 1.34 1.28 -0.54 0.00 0.00 175.26 177.00 3gpw n LEU 74 N 4.86 4.98 -4.73 2.70 4.77 -1.26 -4.96 117.00 123.36 3gpw n LEU 74 Ca -0.16 1.04 -0.32 0.00 -0.03 0.00 0.00 56.01 56.54 3gpw n LEU 74 Cb 0.49 -1.56 0.11 0.00 -2.33 0.00 0.00 43.42 40.13 3gpw n LEU 74 CO 0.31 -0.55 0.72 -0.94 -1.33 0.00 0.00 177.39 175.60 3gpw s SER 75 N -0.72 4.07 0.21 -1.43 1.04 -1.26 -4.75 113.70 110.86 3gpw s SER 75 Ca 0.67 2.07 -0.09 0.00 0.48 0.00 0.00 55.95 59.07 3gpw s SER 75 Cb -0.45 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.38 3gpw s SER 75 CO 0.53 -2.33 1.77 -0.65 0.98 0.00 0.00 173.24 173.55 3gpw h PRO 76 N -0.99 0.52 -0.95 4.02 0.11 -1.93 -0.62 132.00 132.17 3gpw h PRO 76 Ca -0.45 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3gpw h PRO 76 Cb 1.26 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3gpw h PRO 76 CO 0.49 0.34 0.62 0.37 -0.21 0.00 0.00 178.00 179.60 3gpw h GLN 77 N 0.53 1.07 -0.23 1.05 -0.00 -1.98 -0.86 115.11 114.69 3gpw h GLN 77 Ca 0.30 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.84 3gpw h GLN 77 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 3gpw h GLN 77 CO -0.24 0.71 -0.05 0.00 0.00 0.00 0.00 178.83 179.25 3gpw h ALA 78 N 1.48 0.31 -0.11 3.38 0.00 -1.52 -2.20 119.26 120.60 3gpw h ALA 78 Ca 0.41 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gpw h ALA 78 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gpw h ALA 78 CO -0.15 0.10 -0.13 0.28 0.00 0.00 0.00 179.25 179.34 3gpw h VAL 79 N 0.17 1.16 -0.01 0.00 2.07 -0.57 -2.02 116.25 117.06 3gpw h VAL 79 Ca 0.06 -0.71 -0.24 0.00 0.82 0.00 0.00 66.70 66.63 3gpw h VAL 79 Cb 0.50 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3gpw h VAL 79 CO 0.02 0.22 -0.96 0.77 0.02 0.00 0.00 177.57 177.64 3gpw h SER 80 N 0.17 0.66 -0.05 0.57 4.64 -1.06 -2.13 113.55 116.35 3gpw h SER 80 Ca 0.03 -0.52 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 3gpw h SER 80 Cb 0.34 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3gpw h SER 80 CO 0.02 1.32 -0.21 0.28 -0.87 0.00 0.00 176.83 177.38 3gpw h SER 81 N 0.30 0.43 -0.16 4.97 0.02 -1.10 0.25 113.55 118.25 3gpw h SER 81 Ca -0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3gpw h SER 81 Cb 1.60 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 3gpw h SER 81 CO 0.17 0.65 0.04 0.15 -1.14 0.00 0.00 176.83 176.70 3gpw h PHE 82 N 0.39 0.26 -0.63 3.45 3.04 -1.28 -2.21 116.94 119.96 3gpw h PHE 82 Ca 0.06 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 3gpw h PHE 82 Cb 0.58 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 3gpw h PHE 82 CO 0.02 0.38 0.17 0.28 -2.02 0.00 0.00 178.31 177.14 3gpw h VAL 83 N 0.07 1.25 -0.21 1.41 2.07 -0.93 -1.89 116.25 118.02 3gpw h VAL 83 Ca 0.05 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3gpw h VAL 83 Cb 0.25 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3gpw h VAL 83 CO -0.00 0.34 0.06 -0.09 0.02 0.00 0.00 177.57 177.90 3gpw h ARG 84 N 0.93 0.15 -0.91 1.57 2.43 -0.42 -1.90 114.38 116.22 3gpw h ARG 84 Ca 0.20 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 3gpw h ARG 84 Cb 0.34 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3gpw h ARG 84 CO -0.00 0.10 0.60 0.37 -1.51 0.00 0.00 179.97 179.53 3gpw h GLN 85 N 0.16 1.07 -0.75 0.20 4.15 -1.18 0.24 115.11 119.00 3gpw h GLN 85 Ca 0.09 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3gpw h GLN 85 Cb 0.07 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 3gpw h GLN 85 CO -0.10 0.71 0.32 0.93 -1.93 0.00 0.00 178.83 178.75 3gpw h GLU 86 N 1.10 1.12 -0.14 1.69 4.39 -0.73 -1.88 114.58 120.12 3gpw h GLU 86 Ca 0.38 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 3gpw h GLU 86 Cb 0.09 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3gpw h GLU 86 CO -0.13 0.90 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.03 3gpw h LEU 87 N 1.08 0.71 -2.81 1.33 3.38 -0.54 -2.53 115.31 115.94 3gpw h LEU 87 Ca 0.25 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3gpw h LEU 87 Cb 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gpw h LEU 87 CO -0.02 1.20 -0.00 0.00 0.09 0.00 0.00 178.44 179.70 3gpw h ALA 88 N 0.53 1.17 0.02 1.53 0.00 -0.35 0.77 119.26 122.93 3gpw h ALA 88 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gpw h ALA 88 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gpw h ALA 88 CO 0.11 0.00 -0.13 0.87 0.00 0.00 0.00 179.25 180.10 3gpw h LYS 89 N 0.00 0.05 -0.85 0.00 1.57 -1.22 -3.34 116.57 112.79 3gpw h LYS 89 Ca -0.00 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3gpw h LYS 89 Cb 0.01 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 3gpw h LYS 89 CO 0.00 1.02 0.55 1.03 -0.57 0.00 0.00 179.45 181.48 3gpw h SER 90 N -0.88 0.79 -0.11 0.86 0.87 -0.82 -2.40 113.55 111.87 3gpw h SER 90 Ca -0.02 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3gpw h SER 90 Cb 1.08 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 3gpw h SER 90 CO 0.02 0.49 0.11 -0.29 -0.53 0.00 0.00 176.83 176.64 3gpw h ILE 90 N 0.89 0.54 -0.28 2.23 6.09 -1.01 -1.65 117.51 124.32 3gpw h ILE 90 Ca 0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 3gpw h ILE 90 Cb 0.30 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.51 3gpw h ILE 90 CO -0.14 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.48 3gpw n ARG 90 N -3.90 3.01 -2.76 2.19 1.74 -0.91 -4.87 116.66 111.16 3gpw n ARG 90 Ca -0.00 -2.84 -0.22 0.00 -0.77 0.00 0.00 57.85 54.01 3gpw n ARG 90 Cb 0.22 -1.85 0.10 0.00 -1.02 0.00 0.00 32.46 29.91 3gpw n ARG 90 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gpw s SER 91 N -1.87 4.46 0.12 0.55 1.04 -0.62 -5.02 113.70 112.36 3gpw s SER 91 Ca 0.42 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.98 3gpw s SER 91 Cb 0.34 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.71 3gpw s SER 91 CO 0.09 -1.81 1.69 -0.09 0.98 0.00 0.00 173.24 174.11 3gpw h ARG 92 N -0.37 -0.12 -3.02 4.02 2.43 -1.95 -3.37 114.38 112.02 3gpw h ARG 92 Ca -0.32 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.27 3gpw h ARG 92 Cb 1.27 0.03 -0.40 0.00 -0.42 0.00 0.00 29.97 30.45 3gpw h ARG 92 CO 0.38 -0.08 -0.78 0.50 -1.51 0.00 0.00 179.97 178.48 3gpw s ARG 93 N -6.17 0.77 0.69 0.20 3.52 -1.26 -5.13 118.95 111.57 3gpw s ARG 93 Ca -0.14 -1.35 -0.17 0.00 -0.13 0.00 0.00 55.73 53.94 3gpw s ARG 93 Cb 0.09 -1.80 0.00 0.00 -1.56 0.00 0.00 34.95 31.68 3gpw s ARG 93 CO 0.67 -1.11 1.10 -2.30 -0.81 0.00 0.00 175.30 172.86 3gpw n PRO 94 N 4.29 0.73 -2.68 5.12 -0.02 -1.25 -4.97 135.00 136.21 3gpw n PRO 94 Ca 0.04 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 3gpw n PRO 94 Cb 0.38 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 3gpw n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gpw s TYR 95 N -1.66 3.32 -1.17 6.00 2.02 -1.26 -4.95 117.35 119.65 3gpw s TYR 95 Ca 0.77 1.42 -0.08 0.00 -0.37 0.00 0.00 57.07 58.80 3gpw s TYR 95 Cb -0.36 -3.28 0.24 0.00 -0.40 0.00 0.00 41.96 38.15 3gpw s TYR 95 CO 0.46 -0.49 1.51 1.04 -1.57 0.00 0.00 175.55 176.50 3gpw n GLN 96 N 6.33 3.83 -4.30 -0.62 6.02 -1.26 -4.82 117.38 122.56 3gpw n GLN 96 Ca 0.11 -4.10 -0.18 0.00 -0.01 0.00 0.00 57.00 52.82 3gpw n GLN 96 Cb 0.46 -2.74 -0.15 0.00 1.02 0.00 0.00 30.24 28.83 3gpw n GLN 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gpw s VAL 97 N -0.73 0.63 -0.00 5.09 1.01 -1.26 -0.82 120.40 124.31 3gpw s VAL 97 Ca 0.36 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3gpw s VAL 97 Cb 0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3gpw s VAL 97 CO 0.02 0.19 -0.17 0.20 0.00 0.00 0.00 175.10 175.34 3gpw s ASN 98 N -0.02 3.82 0.06 3.32 0.01 0.01 -2.15 114.94 119.99 3gpw s ASN 98 Ca 0.01 -0.33 -0.00 0.00 -0.71 0.00 0.00 52.86 51.82 3gpw s ASN 98 Cb -0.05 -0.69 -0.04 0.00 0.41 0.00 0.00 41.25 40.88 3gpw s ASN 98 CO -0.00 0.30 -0.04 0.68 -1.51 0.00 0.00 177.10 176.53 3gpw s VAL 99 N -0.81 0.31 -0.06 1.60 -7.23 0.15 -1.59 120.40 112.77 3gpw s VAL 99 Ca 0.13 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3gpw s VAL 99 Cb -0.10 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3gpw s VAL 99 CO 0.03 -0.96 -0.17 -0.76 -0.31 0.00 0.00 175.10 172.93 3gpw s LEU 100 N -2.90 1.87 -0.21 1.32 1.43 -0.80 -1.42 118.68 117.97 3gpw s LEU 100 Ca 0.07 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3gpw s LEU 100 Cb 0.07 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.31 3gpw s LEU 100 CO -0.09 0.12 -0.15 -0.63 0.23 0.00 0.00 176.35 175.84 3gpw s ILE 101 N 0.26 2.25 -0.18 -0.59 1.01 0.12 -0.85 121.20 123.21 3gpw s ILE 101 Ca -0.09 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.40 3gpw s ILE 101 Cb -0.14 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3gpw s ILE 101 CO 0.04 0.32 -0.10 -0.83 0.00 0.00 0.00 174.94 174.37 3gpw s GLY 102 N 1.25 1.55 0.07 6.18 0.00 0.67 -0.04 107.32 117.00 3gpw s GLY 102 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 3gpw s GLY 102 CO -0.09 0.18 0.11 -0.32 0.00 0.00 0.00 173.10 172.98 3gpw s GLY 103 N 1.04 0.22 -0.29 0.20 0.00 -0.21 -0.14 107.32 108.15 3gpw s GLY 103 Ca -0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.86 3gpw s GLY 103 CO -0.02 -0.97 0.03 -0.47 0.00 0.00 0.00 173.10 171.67 3gpw s TYR 104 N -3.80 3.16 0.00 1.90 6.14 0.33 0.16 117.35 125.24 3gpw s TYR 104 Ca 0.05 -1.39 0.00 0.00 0.64 0.00 0.00 57.07 56.37 3gpw s TYR 104 Cb 0.06 -2.17 0.00 0.00 0.42 0.00 0.00 41.96 40.26 3gpw s TYR 104 CO -0.10 -0.69 0.00 -3.47 0.64 0.00 0.00 175.55 171.93 3gpw n ASP 105 N 4.75 0.00 0.00 4.32 4.64 -0.64 -4.86 116.55 124.76 3gpw n ASP 105 Ca -0.15 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.26 3gpw n ASP 105 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 3gpw n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3gpw n LYS 10 N 0.00 0.00 -3.36 -0.67 5.02 -1.26 -2.91 118.16 114.98 3gpw n LYS 10 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3gpw n LYS 10 Cb 0.00 -2.31 0.08 0.00 -0.02 0.00 0.00 35.03 32.78 3gpw n LYS 10 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gpw n ASN 106 N 0.00 -2.98 -3.79 4.39 3.02 -1.26 -5.02 115.26 109.61 3gpw n ASN 106 Ca 0.00 -0.55 -0.13 0.00 -0.03 0.00 0.00 54.58 53.87 3gpw n ASN 106 Cb 0.00 -4.73 -0.11 0.00 -0.61 0.00 0.00 39.78 34.33 3gpw n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3gpw s LYS 107 N -5.47 0.37 0.49 3.52 1.02 -1.15 -5.07 119.74 113.46 3gpw s LYS 107 Ca 0.13 0.19 -0.16 0.00 0.02 0.00 0.00 55.97 56.15 3gpw s LYS 107 Cb -0.06 0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 3gpw s LYS 107 CO 0.67 -0.06 0.95 -1.25 -0.92 0.00 0.00 175.35 174.74 3gpw s PRO 108 N -0.24 3.94 -0.01 -1.68 0.04 -1.26 -1.62 135.00 134.17 3gpw s PRO 108 Ca -0.04 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 61.90 3gpw s PRO 108 Cb -0.03 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3gpw s PRO 108 CO 0.01 -0.23 0.03 -1.21 0.04 0.00 0.00 177.00 175.64 3gpw s GLU 109 N -3.99 0.01 -0.14 4.56 2.02 0.12 -4.91 118.70 116.38 3gpw s GLU 109 Ca 0.58 0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.66 3gpw s GLU 109 Cb -0.10 -0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.10 3gpw s GLU 109 CO 0.30 -0.04 -0.20 -1.17 0.02 0.00 0.00 175.26 174.17 3gpw s LEU 110 N 0.24 2.02 -0.05 1.80 2.96 -1.26 -1.05 118.68 123.35 3gpw s LEU 110 Ca -0.02 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.38 3gpw s LEU 110 Cb -0.03 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 3gpw s LEU 110 CO -0.01 0.06 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.53 3gpw s TYR 111 N 0.90 2.44 -0.15 5.38 2.02 0.94 -2.14 117.35 126.74 3gpw s TYR 111 Ca -0.06 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 56.04 3gpw s TYR 111 Cb -0.15 -1.58 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3gpw s TYR 111 CO -0.03 -0.14 -0.14 -1.14 -1.57 0.00 0.00 175.55 172.53 3gpw s GLN 112 N -0.32 3.25 -0.05 -0.62 0.74 -0.28 0.10 119.66 122.49 3gpw s GLN 112 Ca 0.01 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 3gpw s GLN 112 Cb -0.13 -2.65 0.03 0.00 1.10 0.00 0.00 33.01 31.36 3gpw s GLN 112 CO 0.02 0.03 0.03 0.42 -0.55 0.00 0.00 175.29 175.25 3gpw s ILE 113 N 0.78 0.08 0.74 -2.34 1.01 -0.51 -1.24 121.20 119.73 3gpw s ILE 113 Ca -0.05 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 3gpw s ILE 113 Cb -0.15 -0.28 0.13 0.00 0.01 0.00 0.00 42.46 42.17 3gpw s ILE 113 CO 0.01 0.19 1.03 1.51 0.00 0.00 0.00 174.94 177.67 3gpw s ASP 114 N 1.83 4.27 0.38 3.58 3.84 -0.73 -0.67 116.67 129.16 3gpw s ASP 114 Ca 0.01 -0.21 0.26 0.00 -0.00 0.00 0.00 52.55 52.62 3gpw s ASP 114 Cb -0.12 -0.17 1.38 0.00 -1.38 0.00 0.00 42.92 42.62 3gpw s ASP 114 CO -0.03 -1.92 1.80 0.10 -0.00 0.00 0.00 175.17 175.11 3gpw h TYR 115 N -0.64 0.00 0.00 2.11 -0.00 -1.75 -1.38 116.97 115.30 3gpw h TYR 115 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.35 3gpw h TYR 115 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 3gpw h TYR 115 CO -0.26 0.00 -0.15 1.28 -0.00 0.00 0.00 178.16 179.03 3gpw n LEU 116 N -2.42 0.54 0.00 0.10 4.77 -1.26 -4.57 117.00 114.16 3gpw n LEU 116 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3gpw n LEU 116 Cb 0.07 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3gpw n LEU 116 CO 0.13 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3gpw n GLY 117 N 1.38 0.96 3.63 -0.72 0.00 -0.52 -4.16 105.19 105.77 3gpw n GLY 117 Ca 0.06 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3gpw n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 118 N -2.00 4.65 -0.01 2.61 2.01 -1.25 -4.81 115.64 116.83 3gpw s THR 118 Ca 0.00 1.50 0.07 0.00 0.31 0.00 0.00 61.69 63.58 3gpw s THR 118 Cb 0.00 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 3gpw s THR 118 CO 0.00 -0.36 -0.23 -0.75 -0.69 0.00 0.00 174.62 172.59 3gpw s LYS 119 N 3.31 2.16 -0.01 4.92 2.20 -1.26 -1.78 119.74 129.28 3gpw s LYS 119 Ca 0.39 -0.90 -0.14 0.00 -0.36 0.00 0.00 55.97 54.96 3gpw s LYS 119 Cb -0.13 -2.12 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 3gpw s LYS 119 CO 0.13 0.57 0.30 0.54 -0.36 0.00 0.00 175.35 176.53 3gpw s VAL 120 N -0.69 0.06 -0.16 4.02 0.11 -0.37 -5.00 120.40 118.37 3gpw s VAL 120 Ca 0.11 -0.50 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 3gpw s VAL 120 Cb -0.10 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 3gpw s VAL 120 CO 0.00 -0.27 0.01 -0.70 -3.33 0.00 0.00 175.10 170.81 3gpw s GLU 121 N -1.41 3.78 0.11 1.54 2.12 -1.26 -1.13 118.70 122.46 3gpw s GLU 121 Ca -0.13 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 3gpw s GLU 121 Cb -0.05 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 3gpw s GLU 121 CO 0.04 0.28 0.05 -0.51 -0.54 0.00 0.00 175.26 174.58 3gpw s LEU 122 N 0.30 1.88 0.21 2.70 1.43 -0.91 -5.02 118.68 119.27 3gpw s LEU 122 Ca -0.00 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 3gpw s LEU 122 Cb -0.13 0.33 0.17 0.00 0.03 0.00 0.00 46.19 46.59 3gpw s LEU 122 CO 0.02 -0.71 1.51 -0.65 0.23 0.00 0.00 176.35 176.74 3gpw h PRO 123 N 2.91 0.28 -2.27 1.29 0.11 -1.89 -3.38 132.00 129.05 3gpw h PRO 123 Ca -0.35 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 3gpw h PRO 123 Cb 1.19 0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.15 3gpw h PRO 123 CO 0.60 0.84 0.10 1.52 -0.21 0.00 0.00 178.00 180.85 3gpw s TYR 124 N -3.67 -0.55 0.32 0.65 1.13 -1.26 0.16 117.35 114.13 3gpw s TYR 124 Ca -0.04 0.90 -0.19 0.00 -1.41 0.00 0.00 57.07 56.33 3gpw s TYR 124 Cb 0.11 0.35 0.05 0.00 -1.10 0.00 0.00 41.96 41.37 3gpw s TYR 124 CO 0.81 -0.58 0.80 0.20 -2.51 0.00 0.00 175.55 174.28 3gpw s GLY 125 N -1.32 0.16 0.31 5.49 0.00 -0.25 -4.99 107.32 106.72 3gpw s GLY 125 Ca -0.11 -0.51 -0.19 0.00 0.00 0.00 0.00 44.72 43.91 3gpw s GLY 125 CO 0.07 0.04 0.78 0.00 0.00 0.00 0.00 173.10 173.99 3gpw s ALA 126 N -2.86 -1.06 0.10 3.20 0.00 -1.26 -1.10 121.76 118.78 3gpw s ALA 126 Ca 0.14 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.69 3gpw s ALA 126 Cb -0.05 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3gpw s ALA 126 CO 0.09 -1.02 -0.15 -1.01 0.00 0.00 0.00 175.76 173.66 3gpw s HIS 127 N -3.11 1.42 0.00 0.00 3.76 -1.13 -4.82 115.29 111.41 3gpw s HIS 127 Ca 0.13 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3gpw s HIS 127 Cb -0.05 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.87 3gpw s HIS 127 CO 0.09 0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.52 3gpw n GLY 128 N 0.89 0.20 0.15 -2.22 0.00 -1.26 -3.66 105.19 99.28 3gpw n GLY 128 Ca -0.18 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 44.95 3gpw n GLY 128 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gpw h TYR 129 N 0.00 0.00 -0.94 1.61 0.05 -1.92 -3.38 116.97 112.39 3gpw h TYR 129 Ca 0.00 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.03 3gpw h TYR 129 Cb 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.57 3gpw h TYR 129 CO 0.00 0.10 0.05 0.77 -1.05 0.00 0.00 178.16 178.03 3gpw h SER 130 N 0.00 -0.40 -0.80 3.88 0.02 -1.88 0.15 113.55 114.51 3gpw h SER 130 Ca -0.02 0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3gpw h SER 130 Cb 1.09 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 64.02 3gpw h SER 130 CO 0.01 -0.30 0.53 1.23 -1.14 0.00 0.00 176.83 177.16 3gpw h GLY 131 N 0.05 1.13 0.60 -3.77 0.00 -1.79 -2.45 103.07 96.83 3gpw h GLY 131 Ca 0.56 -0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.62 3gpw h GLY 131 CO -0.85 0.32 0.60 0.74 0.00 0.00 0.00 176.54 177.35 3gpw h PHE 132 N 0.96 1.03 0.03 5.60 0.04 -0.97 0.92 116.94 124.54 3gpw h PHE 132 Ca 0.33 0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.84 3gpw h PHE 132 Cb 0.09 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 3gpw h PHE 132 CO -0.00 0.44 -1.59 1.88 -0.60 0.00 0.00 178.31 178.44 3gpw h TYR 133 N 0.92 0.10 0.00 -0.55 0.05 -1.53 -3.42 116.97 112.55 3gpw h TYR 133 Ca 0.45 -0.07 -0.34 0.00 0.05 0.00 0.00 58.73 58.82 3gpw h TYR 133 Cb 0.47 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 3gpw h TYR 133 CO -0.00 1.12 -2.11 0.25 -1.05 0.00 0.00 178.16 176.36 3gpw n THR 134 N -3.18 1.49 0.02 -2.88 -2.24 -0.95 -4.54 114.28 102.00 3gpw n THR 134 Ca -0.15 -0.82 0.20 0.00 -2.27 0.00 0.00 64.05 61.01 3gpw n THR 134 Cb 1.03 -0.75 0.71 0.00 -2.10 0.00 0.00 70.33 69.22 3gpw n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gpw h PHE 135 N 0.00 0.00 -0.00 4.78 0.04 -1.06 -0.23 116.94 120.47 3gpw h PHE 135 Ca -0.44 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.17 3gpw h PHE 135 Cb 2.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.27 3gpw h PHE 135 CO 0.00 0.00 -0.72 0.66 -0.60 0.00 0.00 178.31 177.65 3gpw h SER 136 N 0.00 0.03 -0.14 2.17 4.64 -1.81 0.14 113.55 118.58 3gpw h SER 136 Ca 0.24 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.36 3gpw h SER 136 Cb 1.00 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3gpw h SER 136 CO -0.00 0.74 -0.60 -0.07 -0.87 0.00 0.00 176.83 176.03 3gpw h LEU 137 N 0.02 0.77 -0.30 5.97 3.38 -1.33 -2.81 115.31 121.01 3gpw h LEU 137 Ca -0.01 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.17 3gpw h LEU 137 Cb 1.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3gpw h LEU 137 CO 0.10 1.27 -0.49 -0.07 0.09 0.00 0.00 178.44 179.33 3gpw h LEU 138 N 0.33 0.94 -2.17 1.67 3.38 -1.27 -1.40 115.31 116.79 3gpw h LEU 138 Ca -0.03 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.44 3gpw h LEU 138 Cb 1.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3gpw h LEU 138 CO 0.12 1.28 0.06 0.44 0.09 0.00 0.00 178.44 180.44 3gpw h ASP 139 N 0.63 0.00 0.00 -0.43 3.32 -0.75 -0.72 116.42 118.47 3gpw h ASP 139 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3gpw h ASP 139 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3gpw h ASP 139 CO 0.11 0.00 -0.16 -0.74 -1.72 0.00 0.00 179.24 176.73 3gpw h HIS 140 N 0.00 0.00 0.00 4.55 2.76 -1.21 -3.40 115.15 117.84 3gpw h HIS 140 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3gpw h HIS 140 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 3gpw h HIS 140 CO 0.00 0.00 -0.04 0.72 -1.30 0.00 0.00 177.93 177.31 3gpw n HIS 141 N -4.22 0.22 -2.08 5.26 8.25 -0.55 -4.94 115.22 117.16 3gpw n HIS 141 Ca -0.02 0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 3gpw n HIS 141 Cb 0.09 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 3gpw n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3gpw s TYR 142 N -3.03 3.12 -0.02 4.41 5.04 -0.28 -5.03 117.35 121.56 3gpw s TYR 142 Ca 0.13 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 3gpw s TYR 142 Cb 0.17 -3.75 0.02 0.00 0.35 0.00 0.00 41.96 38.76 3gpw s TYR 142 CO 0.56 -2.47 0.01 1.03 -1.34 0.00 0.00 175.55 173.34 3gpw s ARG 143 N 0.01 0.13 0.58 4.97 1.81 -1.26 -5.03 118.95 120.16 3gpw s ARG 143 Ca 0.60 0.09 0.28 0.00 -1.72 0.00 0.00 55.73 54.99 3gpw s ARG 143 Cb -0.40 -0.32 1.58 0.00 -0.45 0.00 0.00 34.95 35.36 3gpw s ARG 143 CO 0.39 -0.11 2.04 -1.35 -0.68 0.00 0.00 175.30 175.58 3gpw h PRO 144 N 7.04 0.00 -0.63 3.54 0.11 -1.96 -2.23 132.00 137.87 3gpw h PRO 144 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gpw h PRO 144 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gpw h PRO 144 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 3gpw n ASP 145 N -3.84 5.15 -4.75 -2.05 3.85 -1.26 -3.40 116.55 110.24 3gpw n ASP 145 Ca 0.04 -2.65 -0.39 0.00 -0.71 0.00 0.00 54.79 51.08 3gpw n ASP 145 Cb 0.44 -0.63 0.03 0.00 -1.35 0.00 0.00 41.12 39.61 3gpw n ASP 145 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 3gpw s MET 146 N -2.23 3.30 0.62 0.11 -1.94 -0.84 -4.70 119.30 113.62 3gpw s MET 146 Ca 0.52 2.30 -0.07 0.00 -1.71 0.00 0.00 55.69 56.72 3gpw s MET 146 Cb 0.36 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.83 3gpw s MET 146 CO 0.21 -1.08 0.95 0.95 -0.01 0.00 0.00 175.02 176.04 3gpw s THR 147 N -1.27 3.68 0.37 2.05 -4.23 -1.26 -1.62 115.64 113.35 3gpw s THR 147 Ca 0.68 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 61.40 3gpw s THR 147 Cb -0.42 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.23 3gpw s THR 147 CO 0.50 -0.54 1.98 0.74 -0.54 0.00 0.00 174.62 176.77 3gpw h THR 148 N -0.29 1.06 -0.47 3.99 2.02 -1.97 -0.18 112.91 117.08 3gpw h THR 148 Ca -0.45 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 3gpw h THR 148 Cb 1.25 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3gpw h THR 148 CO 0.62 0.14 0.05 -0.08 0.37 0.00 0.00 175.52 176.61 3gpw h GLU 149 N 0.75 0.74 -0.01 6.66 4.57 -2.00 -1.30 114.58 124.00 3gpw h GLU 149 Ca 0.27 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 58.15 3gpw h GLU 149 Cb 0.14 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3gpw h GLU 149 CO -0.08 0.72 -0.63 0.93 -1.18 0.00 0.00 179.01 178.77 3gpw h GLU 150 N 0.71 0.03 -0.37 1.92 5.08 -1.45 -2.58 114.58 117.92 3gpw h GLU 150 Ca 0.15 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 3gpw h GLU 150 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3gpw h GLU 150 CO 0.01 0.65 -0.21 0.78 -1.00 0.00 0.00 179.01 179.24 3gpw h GLY 151 N 1.84 0.87 1.91 -3.84 0.00 -0.52 -1.93 103.07 101.39 3gpw h GLY 151 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 3gpw h GLY 151 CO 0.08 0.73 -0.22 1.41 0.00 0.00 0.00 176.54 178.54 3gpw h LEU 152 N 0.59 0.11 -0.33 3.11 3.38 -1.14 -1.12 115.31 119.92 3gpw h LEU 152 Ca 0.08 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 3gpw h LEU 152 Cb 0.77 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3gpw h LEU 152 CO 0.06 0.34 -0.76 0.44 0.09 0.00 0.00 178.44 178.61 3gpw h ASP 153 N 0.10 0.60 -0.11 -0.43 3.45 -1.26 -1.70 116.42 117.07 3gpw h ASP 153 Ca 0.02 -0.40 -0.14 0.00 0.43 0.00 0.00 57.03 56.94 3gpw h ASP 153 Cb 0.46 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3gpw h ASP 153 CO 0.03 1.16 -0.40 0.25 -1.57 0.00 0.00 179.24 178.71 3gpw h LEU 154 N 0.34 0.68 -0.16 1.55 5.85 -0.98 -2.30 115.31 120.28 3gpw h LEU 154 Ca -0.04 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3gpw h LEU 154 Cb 1.35 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3gpw h LEU 154 CO 0.14 1.00 -0.05 -0.07 -0.34 0.00 0.00 178.44 179.12 3gpw h LEU 155 N 0.53 0.33 -0.77 2.25 3.38 -1.16 -1.85 115.31 118.02 3gpw h LEU 155 Ca 0.05 -0.38 0.15 0.00 0.09 0.00 0.00 57.88 57.79 3gpw h LEU 155 Cb 0.92 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3gpw h LEU 155 CO 0.08 0.63 0.30 0.50 0.09 0.00 0.00 178.44 180.04 3gpw h LYS 156 N 0.02 0.41 -0.71 1.13 3.64 -1.23 0.45 116.57 120.28 3gpw h LYS 156 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gpw h LYS 156 Cb 0.49 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3gpw h LYS 156 CO 0.02 0.27 0.44 1.25 -2.27 0.00 0.00 179.45 179.16 3gpw h LEU 157 N 0.43 0.84 -0.30 5.20 5.85 -1.13 -0.73 115.31 125.47 3gpw h LEU 157 Ca 0.43 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3gpw h LEU 157 Cb 0.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3gpw h LEU 157 CO -0.42 0.65 0.13 0.00 -0.34 0.00 0.00 178.44 178.46 3gpw h VAL 159 N 0.35 1.17 -0.42 0.00 2.07 0.05 -0.91 116.25 118.56 3gpw h VAL 159 Ca 0.10 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 3gpw h VAL 159 Cb 0.15 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3gpw h VAL 159 CO -0.01 0.21 -0.10 1.56 0.02 0.00 0.00 177.57 179.24 3gpw h GLN 160 N 0.65 0.82 -0.82 1.57 4.20 -0.83 0.12 115.11 120.82 3gpw h GLN 160 Ca 0.16 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 3gpw h GLN 160 Cb 0.13 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3gpw h GLN 160 CO -0.02 0.94 0.43 1.49 -0.67 0.00 0.00 178.83 181.00 3gpw h GLU 161 N 0.64 1.16 -0.45 1.46 4.57 -0.90 -1.58 114.58 119.47 3gpw h GLU 161 Ca 0.11 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3gpw h GLU 161 Cb 0.64 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3gpw h GLU 161 CO 0.04 0.87 0.13 -0.07 -1.18 0.00 0.00 179.01 178.80 3gpw h LEU 162 N 1.15 0.66 -0.09 1.64 3.38 -0.84 -1.55 115.31 119.66 3gpw h LEU 162 Ca 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gpw h LEU 162 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3gpw h LEU 162 CO -0.04 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 3gpw n GLU 163 N -4.54 0.03 -0.12 1.13 1.02 0.39 -1.59 120.64 116.96 3gpw n GLU 163 Ca 0.01 0.26 -0.26 0.00 -0.02 0.00 0.00 57.16 57.15 3gpw n GLU 163 Cb 0.19 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 3gpw n GLU 163 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3gpw n LYS 164 N -1.60 0.59 0.03 3.49 4.81 -0.64 -4.72 118.16 120.13 3gpw n LYS 164 Ca 0.03 0.36 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 3gpw n LYS 164 Cb 0.19 -1.59 -0.11 0.00 0.02 0.00 0.00 35.03 33.53 3gpw n LYS 164 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gpw n ARG 165 N -4.21 0.64 -2.72 1.64 5.12 -0.64 -4.93 116.66 111.57 3gpw n ARG 165 Ca -0.45 -0.09 -0.42 0.00 -1.93 0.00 0.00 57.85 54.96 3gpw n ARG 165 Cb 0.83 -1.62 -0.03 0.00 -1.16 0.00 0.00 32.46 30.48 3gpw n ARG 165 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3gpw s MET 166 N -3.46 4.57 0.52 5.56 1.75 -0.62 -4.95 119.30 122.67 3gpw s MET 166 Ca -0.06 1.41 0.19 0.00 -1.25 0.00 0.00 55.69 55.98 3gpw s MET 166 Cb 0.12 -3.45 1.31 0.00 2.84 0.00 0.00 34.83 35.65 3gpw s MET 166 CO 0.87 -0.03 2.10 -1.35 -0.65 0.00 0.00 175.02 175.96 3gpw h PRO 167 N 6.70 0.00 -6.24 4.11 0.11 -1.91 -3.45 132.00 131.33 3gpw h PRO 167 Ca -0.41 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.15 3gpw h PRO 167 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3gpw h PRO 167 CO 0.75 0.00 -0.30 -1.64 -0.21 0.00 0.00 178.00 176.60 3gpw s MET 168 N -5.05 3.57 -0.51 1.05 -1.94 -1.26 -5.05 119.30 110.11 3gpw s MET 168 Ca -0.05 -0.19 -0.18 0.00 -1.71 0.00 0.00 55.69 53.56 3gpw s MET 168 Cb 0.18 -2.82 0.08 0.00 2.01 0.00 0.00 34.83 34.28 3gpw s MET 168 CO 0.69 0.40 0.56 0.34 -0.01 0.00 0.00 175.02 177.00 3gpw s ASP 169 N -2.87 6.19 -0.01 3.03 -1.08 -1.26 -4.90 116.67 115.77 3gpw s ASP 169 Ca 0.40 -1.20 0.12 0.00 -0.52 0.00 0.00 52.55 51.35 3gpw s ASP 169 Cb -0.11 -2.25 0.37 0.00 -1.46 0.00 0.00 42.92 39.46 3gpw s ASP 169 CO 0.27 -0.86 1.29 2.22 0.52 0.00 0.00 175.17 178.62 3gpw n PHE 170 N 5.83 0.60 -3.53 -5.34 1.16 -1.26 -4.91 117.46 110.01 3gpw n PHE 170 Ca -0.09 -0.28 -0.26 0.00 -1.87 0.00 0.00 57.45 54.95 3gpw n PHE 170 Cb 0.44 -0.03 0.04 0.00 -1.61 0.00 0.00 39.48 38.31 3gpw n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3gpw n LYS 171 N 0.65 -5.61 -0.36 3.97 4.76 -1.26 -2.18 118.16 118.13 3gpw n LYS 171 Ca 0.14 0.71 0.05 0.00 -2.87 0.00 0.00 58.31 56.33 3gpw n LYS 171 Cb 0.38 -5.61 -0.01 0.00 -1.84 0.00 0.00 35.03 27.95 3gpw n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gpw n GLY 172 N -1.64 -1.52 3.34 0.72 0.00 -1.26 -4.29 105.19 100.54 3gpw n GLY 172 Ca -0.01 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 3gpw n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 173 N -1.44 1.63 -0.15 1.61 -7.23 -1.26 -1.21 120.40 112.35 3gpw s VAL 173 Ca 0.00 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.95 3gpw s VAL 173 Cb 0.00 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3gpw s VAL 173 CO 0.00 -0.57 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.57 3gpw s ILE 174 N -3.04 4.05 -0.06 -0.62 1.01 -0.22 -4.88 121.20 117.45 3gpw s ILE 174 Ca 0.23 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3gpw s ILE 174 Cb 0.00 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3gpw s ILE 174 CO 0.07 0.50 -0.12 -0.69 0.00 0.00 0.00 174.94 174.70 3gpw s VAL 175 N 0.26 3.28 0.00 2.92 1.01 -1.26 -1.92 120.40 124.70 3gpw s VAL 175 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3gpw s VAL 175 Cb -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3gpw s VAL 175 CO 0.02 0.59 -0.09 -0.54 0.00 0.00 0.00 175.10 175.09 3gpw s LYS 176 N -0.72 0.66 -0.07 2.72 1.02 -0.49 -1.47 119.74 121.39 3gpw s LYS 176 Ca 0.11 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.72 3gpw s LYS 176 Cb -0.11 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.55 3gpw s LYS 176 CO 0.01 0.16 -0.09 0.42 -0.92 0.00 0.00 175.35 174.93 3gpw s ILE 177 N -0.40 3.48 -0.14 2.17 1.01 0.17 -1.57 121.20 125.92 3gpw s ILE 177 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3gpw s ILE 177 Cb -0.04 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3gpw s ILE 177 CO -0.00 0.59 -0.14 -0.69 0.00 0.00 0.00 174.94 174.70 3gpw s VAL 178 N -0.70 1.51 0.09 2.92 1.01 -0.13 -1.45 120.40 123.66 3gpw s VAL 178 Ca 0.11 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 3gpw s VAL 178 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3gpw s VAL 178 CO 0.01 0.45 0.13 -0.90 0.00 0.00 0.00 175.10 174.79 3gpw n ASP 179 N 4.70 -0.36 0.01 3.32 5.68 0.00 -1.29 116.55 128.61 3gpw n ASP 179 Ca -0.17 -1.52 0.22 0.00 -0.50 0.00 0.00 54.79 52.83 3gpw n ASP 179 Cb 0.50 0.68 0.62 0.00 -1.14 0.00 0.00 41.12 41.78 3gpw n ASP 179 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gpw h LYS 180 N 0.00 0.00 -0.44 0.11 2.10 -1.92 0.37 116.57 116.79 3gpw h LYS 180 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3gpw h LYS 180 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3gpw h LYS 180 CO 0.10 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 3gpw n ASP 181 N -3.44 3.52 0.00 7.07 8.00 -1.26 -5.08 116.55 125.37 3gpw n ASP 181 Ca 0.12 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3gpw n ASP 181 Cb 0.94 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 3gpw n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gpw n GLY 183 N 1.49 0.19 3.20 0.44 0.00 0.13 -5.00 105.19 105.64 3gpw n GLY 183 Ca 0.20 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 3gpw n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpw s ILE 184 N 0.00 2.15 0.08 -0.61 1.01 -1.24 -0.82 121.20 121.77 3gpw s ILE 184 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.73 3gpw s ILE 184 Cb 0.00 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3gpw s ILE 184 CO 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 174.94 175.38 3gpw s ARG 185 N 0.69 0.76 -0.17 2.79 1.70 -0.53 -4.98 118.95 119.22 3gpw s ARG 185 Ca -0.10 -1.01 -0.06 0.00 -0.47 0.00 0.00 55.73 54.09 3gpw s ARG 185 Cb -0.16 -0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 33.65 3gpw s ARG 185 CO 0.01 0.10 0.05 -1.14 -1.08 0.00 0.00 175.30 173.24 3gpw s GLN 186 N -2.25 3.82 -1.19 3.89 0.74 -1.26 -0.66 119.66 122.76 3gpw s GLN 186 Ca -0.00 -0.36 -0.19 0.00 0.05 0.00 0.00 55.36 54.86 3gpw s GLN 186 Cb -0.06 -3.14 0.08 0.00 1.10 0.00 0.00 33.01 30.98 3gpw s GLN 186 CO 0.01 0.34 1.60 0.08 -0.55 0.00 0.00 175.29 176.77 3gpw s VAL 187 N 0.16 4.17 -0.74 1.34 1.01 -0.54 -4.82 120.40 120.98 3gpw s VAL 187 Ca 0.04 -1.62 0.04 0.00 0.00 0.00 0.00 61.98 60.44 3gpw s VAL 187 Cb -0.12 -5.11 0.04 0.00 0.00 0.00 0.00 36.38 31.18 3gpw s VAL 187 CO 0.01 -1.94 1.05 -0.90 0.00 0.00 0.00 175.10 173.31 3gpw n ASP 188 N 8.23 0.09 -3.95 3.32 3.85 -1.26 -3.82 116.55 123.01 3gpw n ASP 188 Ca 0.42 0.49 -0.30 0.00 -0.71 0.00 0.00 54.79 54.69 3gpw n ASP 188 Cb 0.47 -0.49 -0.11 0.00 -1.35 0.00 0.00 41.12 39.65 3gpw n ASP 188 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 3gpw s ASP 189 N -3.05 5.15 0.00 -1.12 -4.77 -1.26 -4.68 116.67 106.93 3gpw s ASP 189 Ca -0.00 -3.84 0.00 0.00 -3.30 0.00 0.00 52.55 45.40 3gpw s ASP 189 Cb 0.01 -1.71 0.00 0.00 -1.09 0.00 0.00 42.92 40.13 3gpw s ASP 189 CO 0.03 -0.10 0.02 0.33 0.70 0.00 0.00 175.17 176.15 3gpw n PHE 190 N 2.03 0.00 0.17 2.11 -0.00 -1.25 -4.23 117.46 116.30 3gpw n PHE 190 Ca 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.67 3gpw n PHE 190 Cb 0.35 0.00 0.10 0.00 -0.00 0.00 0.00 39.48 39.93 3gpw n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3gpw n GLN 191 N -0.48 0.03 0.00 -4.13 3.00 -1.26 -3.75 117.38 110.79 3gpw n GLN 191 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3gpw n GLN 191 Cb 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.75 3gpw n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gpw n ALA 192 N -1.40 0.00 1.06 -1.58 0.00 -1.26 -5.19 120.51 112.14 3gpw n ALA 192 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3gpw n ALA 192 Cb 0.04 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.64 3gpw n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44