#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 3.27 -0.27 6.12 1.01 -1.26 -4.95 116.67 120.59 3gpw s ASP 1 Ca 0.00 0.51 -0.12 0.00 0.71 0.00 0.00 52.55 53.65 3gpw s ASP 1 Cb 0.00 -0.74 -0.05 0.00 1.01 0.00 0.00 42.92 43.14 3gpw s ASP 1 CO 0.00 -2.66 0.23 -0.63 0.21 0.00 0.00 175.17 172.33 3gpw s ILE 2 N -3.66 5.28 -0.24 0.77 -1.09 -1.26 -4.83 121.20 116.19 3gpw s ILE 2 Ca 0.70 0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3gpw s ILE 2 Cb -0.07 -3.57 0.07 0.00 -1.58 0.00 0.00 42.46 37.30 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 1.70 1.20 0.07 2.92 -1.09 -1.26 -1.36 121.20 123.37 3gpw s ILE 3 Ca 0.09 -1.10 0.07 0.00 -2.23 0.00 0.00 60.65 57.48 3gpw s ILE 3 Cb -0.16 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 3gpw s ILE 3 CO 0.10 -0.22 -0.19 -0.76 -1.23 0.00 0.00 174.94 172.64 3gpw s LEU 4 N 1.53 2.23 -0.07 2.97 1.43 0.07 -2.74 118.68 124.11 3gpw s LEU 4 Ca -0.02 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.42 3gpw s LEU 4 Cb -0.18 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.23 3gpw s LEU 4 CO -0.09 0.07 0.19 -0.83 0.23 0.00 0.00 176.35 175.93 3gpw s GLY 5 N -1.53 -0.14 -0.03 -3.19 0.00 -0.17 -1.02 107.32 101.25 3gpw s GLY 5 Ca 0.05 0.53 -0.01 0.00 0.00 0.00 0.00 44.72 45.30 3gpw s GLY 5 CO 0.03 0.46 0.05 -1.50 0.00 0.00 0.00 173.10 172.13 3gpw s ILE 6 N 0.06 -0.07 -0.37 0.90 1.10 0.17 -1.00 121.20 121.99 3gpw s ILE 6 Ca -0.00 0.26 -0.13 0.00 -0.51 0.00 0.00 60.65 60.27 3gpw s ILE 6 Cb -0.02 -0.11 0.01 0.00 0.15 0.00 0.00 42.46 42.49 3gpw s ILE 6 CO 0.00 0.11 0.24 -0.60 -2.11 0.00 0.00 174.94 172.58 3gpw s ARG 7 N 1.32 3.14 0.00 3.50 3.52 0.46 -0.16 118.95 130.73 3gpw s ARG 7 Ca -0.06 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3gpw s ARG 7 Cb -0.13 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 3gpw s ARG 7 CO -0.03 -0.60 0.00 1.33 -0.81 0.00 0.00 175.30 175.18 3gpw n VAL 8 N 5.08 0.00 0.06 7.11 0.24 -0.02 -4.84 118.33 125.96 3gpw n VAL 8 Ca -0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 3gpw n VAL 8 Cb 0.48 -1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.38 0.00 7.34 5.75 -1.33 -3.34 115.11 123.15 3gpw h GLN 9 Ca 0.00 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3gpw h GLN 9 Cb 0.00 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 3gpw h GLN 9 CO 0.00 -0.25 -0.22 -0.25 -2.65 0.00 0.00 178.83 175.46 3gpw n ASP 10 N -5.37 1.69 -3.65 -0.69 8.00 -1.26 -4.61 116.55 110.66 3gpw n ASP 10 Ca -0.05 -2.91 -0.06 0.00 0.71 0.00 0.00 54.79 52.49 3gpw n ASP 10 Cb 0.29 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.48 -0.26 -0.08 -2.24 1.04 -1.25 -4.44 113.70 103.99 3gpw s SER 11 Ca 0.26 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.48 3gpw s SER 11 Cb 0.24 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 3gpw s SER 11 CO 0.00 -0.80 -0.20 -0.69 0.98 0.00 0.00 173.24 172.53 3gpw s VAL 12 N -3.24 2.45 -0.12 5.02 1.01 -0.37 -0.84 120.40 124.31 3gpw s VAL 12 Ca 0.09 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3gpw s VAL 12 Cb -0.01 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3gpw s VAL 12 CO -0.02 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 174.85 3gpw s ILE 13 N -0.00 2.80 -0.11 2.22 1.01 0.77 -0.94 121.20 126.96 3gpw s ILE 13 Ca -0.07 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3gpw s ILE 13 Cb -0.15 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 3gpw s ILE 13 CO 0.05 0.54 -0.23 -0.76 0.00 0.00 0.00 174.94 174.54 3gpw s LEU 14 N 0.29 2.17 -0.07 2.97 1.43 -0.55 -0.66 118.68 124.26 3gpw s LEU 14 Ca -0.12 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3gpw s LEU 14 Cb -0.16 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3gpw s LEU 14 CO 0.06 0.16 -0.24 0.00 0.23 0.00 0.00 176.35 176.56 3gpw s ALA 15 N 0.37 2.22 -0.03 4.21 0.00 -0.19 -1.34 121.76 127.00 3gpw s ALA 15 Ca -0.17 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 3gpw s ALA 15 Cb -0.18 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3gpw s ALA 15 CO 0.08 0.38 0.06 -1.12 0.00 0.00 0.00 175.76 175.16 3gpw s SER 16 N -0.03 0.00 0.60 0.00 0.01 -0.78 -0.75 113.70 112.76 3gpw s SER 16 Ca -0.07 0.11 -0.19 0.00 1.31 0.00 0.00 55.95 57.11 3gpw s SER 16 Cb -0.15 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3gpw s SER 16 CO 0.05 -0.12 1.13 -1.54 0.41 0.00 0.00 173.24 173.18 3gpw n SER 17 N 4.01 1.51 -0.08 2.44 3.41 -0.47 -0.90 113.62 123.55 3gpw n SER 17 Ca -0.25 0.85 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 3gpw n SER 17 Cb 0.52 -1.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.01 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 -1.25 0.21 -2.73 4.33 5.02 -0.18 -4.65 118.16 118.91 3gpw n LYS 18 Ca 0.14 -0.16 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 3gpw n LYS 18 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.90 3.21 -0.26 7.82 0.00 -0.92 -1.07 121.76 127.64 3gpw s ALA 19 Ca 0.11 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 3gpw s ALA 19 Cb 0.17 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.16 3gpw s ALA 19 CO 0.77 0.11 0.05 0.08 0.00 0.00 0.00 175.76 176.77 3gpw s VAL 20 N -1.59 0.87 -0.15 0.00 1.01 -0.26 -4.92 120.40 115.35 3gpw s VAL 20 Ca 0.51 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3gpw s VAL 20 Cb -0.20 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3gpw s VAL 20 CO 0.25 -0.41 0.01 -0.89 0.00 0.00 0.00 175.10 174.07 3gpw s THR 21 N 1.66 4.38 -0.45 3.92 2.01 -1.26 -1.19 115.64 124.71 3gpw s THR 21 Ca 0.03 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.87 3gpw s THR 21 Cb -0.17 -2.93 0.12 0.00 0.01 0.00 0.00 72.50 69.53 3gpw s THR 21 CO -0.16 0.50 0.21 -0.13 -0.69 0.00 0.00 174.62 174.35 3gpw s ARG 22 N 0.12 1.55 6.17 4.92 1.81 -0.36 -4.95 118.95 128.21 3gpw s ARG 22 Ca 0.02 -2.16 0.00 0.00 -1.72 0.00 0.00 55.73 51.87 3gpw s ARG 22 Cb -0.13 -2.84 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 3gpw s ARG 22 CO 0.02 -1.09 0.00 0.41 -0.68 0.00 0.00 175.30 173.95 3gpw n GLY 23 N 3.58 1.70 0.09 -3.53 0.00 -1.26 -3.30 105.19 102.47 3gpw n GLY 23 Ca 0.05 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.72 -0.61 6.09 -2.04 -3.47 117.51 113.76 3gpw h ILE 24 Ca 0.00 -0.57 -0.51 0.00 -1.37 0.00 0.00 64.86 62.41 3gpw h ILE 24 Cb 0.00 1.30 -0.20 0.00 0.47 0.00 0.00 36.82 38.39 3gpw h ILE 24 CO 0.00 0.00 -0.80 -0.44 -3.07 0.00 0.00 178.15 173.84 3gpw s SER 25 N -4.57 2.38 -0.58 2.19 0.01 -1.21 -5.09 113.70 106.83 3gpw s SER 25 Ca 0.07 -0.74 -0.19 0.00 1.31 0.00 0.00 55.95 56.40 3gpw s SER 25 Cb 0.12 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.33 3gpw s SER 25 CO 0.69 -0.01 0.70 -0.69 0.41 0.00 0.00 173.24 174.34 3gpw s VAL 26 N -1.54 4.81 0.24 3.43 1.01 -1.26 -1.22 120.40 125.87 3gpw s VAL 26 Ca 0.08 -0.91 0.18 0.00 0.00 0.00 0.00 61.98 61.33 3gpw s VAL 26 Cb -0.08 -4.47 0.13 0.00 0.00 0.00 0.00 36.38 31.95 3gpw s VAL 26 CO 0.04 -1.10 1.77 -0.07 0.00 0.00 0.00 175.10 175.75 3gpw h LEU 27 N 9.99 0.00 -7.30 3.92 3.38 -1.52 -3.46 115.31 120.32 3gpw h LEU 27 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3gpw h LEU 27 Cb 1.09 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 3gpw h LEU 27 CO 1.09 0.37 -0.15 -0.75 0.09 0.00 0.00 178.44 179.09 3gpw s LYS 28 N -3.77 0.66 -0.11 1.13 2.20 -1.17 -5.01 119.74 113.67 3gpw s LYS 28 Ca -0.01 0.31 0.14 0.00 -0.36 0.00 0.00 55.97 56.05 3gpw s LYS 28 Cb 0.12 0.31 0.30 0.00 -1.51 0.00 0.00 37.83 37.05 3gpw s LYS 28 CO 0.69 -0.14 1.15 -0.40 -0.36 0.00 0.00 175.35 176.28 3gpw n ASP 29 N 2.02 1.55 -0.78 1.43 3.85 -1.25 -1.10 116.55 122.26 3gpw n ASP 29 Ca -0.17 -3.00 0.01 0.00 -0.71 0.00 0.00 54.79 50.92 3gpw n ASP 29 Cb 0.57 -0.40 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 0.33 -4.73 -1.12 3.41 -1.02 -4.63 113.62 105.04 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 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.32 6.93 -0.50 4.04 -1.08 -0.23 -5.00 116.67 119.51 3gpw s ASP 31 Ca 0.10 2.34 -0.11 0.00 -0.52 0.00 0.00 52.55 54.36 3gpw s ASP 31 Cb 0.12 -2.61 0.13 0.00 -1.46 0.00 0.00 42.92 39.10 3gpw s ASP 31 CO -0.05 -0.51 0.40 -0.62 0.52 0.00 0.00 175.17 174.91 3gpw s ASP 32 N 0.42 5.86 -0.69 -0.34 3.68 -1.26 -4.33 116.67 120.01 3gpw s ASP 32 Ca 0.57 -1.91 -0.07 0.00 2.13 0.00 0.00 52.55 53.27 3gpw s ASP 32 Cb -0.35 -2.07 -0.13 0.00 -1.45 0.00 0.00 42.92 38.91 3gpw s ASP 32 CO 0.37 -0.74 3.19 0.29 0.13 0.00 0.00 175.17 178.41 3gpw n LYS 33 N 4.97 2.84 -3.85 4.34 5.02 -1.26 -4.84 118.16 125.37 3gpw n LYS 33 Ca -0.09 -1.79 -0.09 0.00 -2.02 0.00 0.00 58.31 54.32 3gpw n LYS 33 Cb 0.41 -2.33 -0.07 0.00 -0.02 0.00 0.00 35.03 33.01 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 0.13 -0.05 -0.18 -1.32 -1.26 -2.07 115.64 111.60 3gpw s THR 34 Ca 0.66 -1.10 -0.03 0.00 -1.21 0.00 0.00 61.69 60.01 3gpw s THR 34 Cb 0.27 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 3gpw s THR 34 CO -0.06 -0.61 0.12 -0.13 -2.21 0.00 0.00 174.62 171.74 3gpw s ARG 35 N -3.53 0.09 -0.26 7.08 1.81 -0.51 -5.00 118.95 118.64 3gpw s ARG 35 Ca 0.02 0.27 -0.25 0.00 -1.72 0.00 0.00 55.73 54.05 3gpw s ARG 35 Cb 0.03 -0.09 -0.00 0.00 -0.45 0.00 0.00 34.95 34.44 3gpw s ARG 35 CO -0.09 -0.11 0.86 -1.14 -0.68 0.00 0.00 175.30 174.14 3gpw s GLN 36 N 0.72 4.15 0.03 3.54 0.74 -1.26 -1.76 119.66 125.82 3gpw s GLN 36 Ca -0.05 0.94 0.05 0.00 0.05 0.00 0.00 55.36 56.35 3gpw s GLN 36 Cb -0.07 -3.66 -0.24 0.00 1.10 0.00 0.00 33.01 30.13 3gpw s GLN 36 CO -0.03 -0.58 0.96 -0.07 -0.55 0.00 0.00 175.29 175.02 3gpw h LEU 37 N 9.31 0.14 -7.49 3.68 3.38 -1.45 -3.47 115.31 119.40 3gpw h LEU 37 Ca -0.23 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.60 3gpw h LEU 37 Cb 1.09 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 3gpw h LEU 37 CO 0.90 1.16 0.29 -0.94 0.09 0.00 0.00 178.44 179.94 3gpw s SER 38 N -6.64 -0.37 0.52 -0.43 1.04 -1.13 -4.27 113.70 102.42 3gpw s SER 38 Ca -0.04 -0.30 0.36 0.00 0.48 0.00 0.00 55.95 56.45 3gpw s SER 38 Cb 0.08 0.61 1.51 0.00 0.10 0.00 0.00 66.02 68.33 3gpw s SER 38 CO 0.83 -1.07 1.74 1.55 0.98 0.00 0.00 173.24 177.27 3gpw h PRO 39 N 2.00 0.06 -0.14 4.02 0.13 -2.01 -1.31 132.00 134.76 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 1.27 -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 0.00 178.00 178.83 3gpw n HIS 40 N -4.25 0.43 -3.84 1.56 8.25 -1.26 -3.61 115.22 112.50 3gpw n HIS 40 Ca 0.30 -0.85 -0.20 0.00 -0.26 0.00 0.00 57.72 56.71 3gpw n HIS 40 Cb 1.35 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 32.09 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 -2.50 0.20 0.03 1.59 2.01 -0.50 -0.64 115.64 115.84 3gpw s THR 41 Ca 0.32 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.57 3gpw s THR 41 Cb 0.26 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 3gpw s THR 41 CO 0.06 0.19 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.70 3gpw s LEU 42 N 1.53 2.15 -0.08 4.42 2.96 0.62 -1.05 118.68 129.23 3gpw s LEU 42 Ca -0.03 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3gpw s LEU 42 Cb -0.13 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.31 3gpw s LEU 42 CO -0.03 0.26 -0.11 -0.32 -1.32 0.00 0.00 176.35 174.83 3gpw s MET 43 N -1.13 1.67 0.19 1.98 -2.45 -0.72 -0.42 119.30 118.42 3gpw s MET 43 Ca 0.11 -0.38 0.05 0.00 -1.25 0.00 0.00 55.69 54.22 3gpw s MET 43 Cb -0.10 -1.45 -0.04 0.00 1.25 0.00 0.00 34.83 34.49 3gpw s MET 43 CO 0.02 -0.04 0.17 -1.54 1.05 0.00 0.00 175.02 174.68 3gpw s SER 44 N 0.88 5.60 -0.00 1.11 1.04 0.03 -1.42 113.70 120.93 3gpw s SER 44 Ca -0.10 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 3gpw s SER 44 Cb -0.15 -1.48 0.05 0.00 0.10 0.00 0.00 66.02 64.54 3gpw s SER 44 CO 0.01 0.03 0.51 0.72 0.98 0.00 0.00 173.24 175.49 3gpw s PHE 45 N -1.86 -0.42 -0.06 5.02 -0.12 -0.88 -1.75 117.98 117.90 3gpw s PHE 45 Ca 0.32 0.61 -0.18 0.00 -0.05 0.00 0.00 56.93 57.64 3gpw s PHE 45 Cb -0.09 0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.62 3gpw s PHE 45 CO 0.24 -0.56 0.41 0.00 -0.05 0.00 0.00 175.22 175.27 3gpw s ALA 46 N -1.73 -1.04 0.00 1.99 0.00 -0.62 -4.87 121.76 115.49 3gpw s ALA 46 Ca -0.09 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3gpw s ALA 46 Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3gpw s ALA 46 CO 0.04 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3gpw n GLY 47 N 1.68 -0.43 3.76 0.00 0.00 -1.26 -0.71 105.19 108.23 3gpw n GLY 47 Ca -0.19 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 4.17 0.00 1.61 2.56 0.08 -4.87 118.70 120.25 3gpw s GLU 48 Ca 0.00 2.49 0.00 0.00 0.00 0.00 0.00 54.97 57.46 3gpw s GLU 48 Cb 0.00 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 33.10 3gpw s GLU 48 CO 0.00 -0.54 0.36 0.00 -0.56 0.00 0.00 175.26 174.52 3gpw n ALA 49 N 1.79 0.00 0.09 6.30 0.00 -1.26 -2.04 120.51 125.39 3gpw n ALA 49 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3gpw n ALA 49 Cb 0.39 0.18 -0.15 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 0.40 0.11 0.00 0.00 -1.99 -3.36 103.07 98.23 3gpw h GLY 50 Ca 0.00 -1.02 0.18 0.00 0.00 0.00 0.00 47.33 46.49 3gpw h GLY 50 CO 0.00 0.90 0.53 -0.55 0.00 0.00 0.00 176.54 177.42 3gpw h ASP 51 N 0.10 0.65 -0.15 0.19 3.32 -1.90 -2.97 116.42 115.66 3gpw h ASP 51 Ca -0.25 0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.93 3gpw h ASP 51 Cb 2.06 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.55 3gpw h ASP 51 CO 0.20 0.22 -0.47 0.00 -1.72 0.00 0.00 179.24 177.47 3gpw h THR 52 N 0.67 0.00 -0.24 0.35 1.03 -1.56 0.03 112.91 113.20 3gpw h THR 52 Ca 0.54 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.81 3gpw h THR 52 Cb 0.85 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.93 3gpw h THR 52 CO -0.40 0.00 -0.38 0.58 -0.01 0.00 0.00 175.52 175.31 3gpw h VAL 53 N -0.48 1.31 -0.78 0.00 2.07 -1.78 -2.50 116.25 114.09 3gpw h VAL 53 Ca 0.03 -1.59 0.11 0.00 0.82 0.00 0.00 66.70 66.08 3gpw h VAL 53 Cb 0.58 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 3gpw h VAL 53 CO -0.39 0.50 0.40 1.56 0.02 0.00 0.00 177.57 179.66 3gpw h GLN 54 N 0.40 0.62 0.14 1.57 1.08 -1.40 0.13 115.11 117.66 3gpw h GLN 54 Ca 0.02 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3gpw h GLN 54 Cb 0.98 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 3gpw h GLN 54 CO 0.09 0.41 -0.06 0.35 -0.95 0.00 0.00 178.83 178.67 3gpw h PHE 55 N 0.64 -0.17 -0.40 2.96 3.04 -0.95 -1.15 116.94 120.92 3gpw h PHE 55 Ca 0.40 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.42 3gpw h PHE 55 Cb 0.46 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 38.96 3gpw h PHE 55 CO -0.10 0.15 -0.09 0.00 -2.02 0.00 0.00 178.31 176.25 3gpw h ALA 56 N 0.32 0.27 -0.38 2.41 0.00 -0.91 -0.37 119.26 120.61 3gpw h ALA 56 Ca -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3gpw h ALA 56 Cb 0.39 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3gpw h ALA 56 CO 0.03 -0.45 -0.12 0.93 0.00 0.00 0.00 179.25 179.65 3gpw h GLU 57 N 0.01 0.66 -0.68 0.00 5.08 -0.76 -0.48 114.58 118.41 3gpw h GLU 57 Ca 0.19 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3gpw h GLU 57 Cb 0.29 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3gpw h GLU 57 CO -0.41 0.76 0.38 -0.92 -1.00 0.00 0.00 179.01 177.83 3gpw h TYR 58 N 0.61 0.93 -0.22 4.33 3.20 -0.23 -0.27 116.97 125.32 3gpw h TYR 58 Ca 0.11 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3gpw h TYR 58 Cb 0.55 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3gpw h TYR 58 CO 0.02 0.66 -0.04 0.82 -1.64 0.00 0.00 178.16 177.99 3gpw h ILE 59 N 0.94 1.28 -0.26 1.81 1.08 -0.73 -2.60 117.51 119.02 3gpw h ILE 59 Ca 0.24 -1.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.78 3gpw h ILE 59 Cb 0.03 1.48 -0.07 0.00 -3.07 0.00 0.00 36.82 35.19 3gpw h ILE 59 CO -0.04 0.31 -0.19 -0.61 -0.69 0.00 0.00 178.15 176.93 3gpw h GLN 60 N 0.16 -0.17 -0.38 2.37 4.15 -0.75 -1.61 115.11 118.88 3gpw h GLN 60 Ca 0.06 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.57 3gpw h GLN 60 Cb 0.47 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.12 3gpw h GLN 60 CO 0.02 -0.11 -0.15 0.00 -1.93 0.00 0.00 178.83 176.66 3gpw h ALA 61 N 0.96 0.17 -0.78 3.38 0.00 -0.95 -1.09 119.26 120.94 3gpw h ALA 61 Ca 0.14 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gpw h ALA 61 Cb 0.40 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3gpw h ALA 61 CO -0.37 -0.51 0.47 -0.91 0.00 0.00 0.00 179.25 177.94 3gpw h ASN 62 N -0.07 0.94 -0.22 0.00 4.21 -0.99 -0.84 115.58 118.60 3gpw h ASN 62 Ca 0.19 -0.05 -0.10 0.00 1.21 0.00 0.00 56.30 57.54 3gpw h ASN 62 Cb 0.36 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3gpw h ASN 62 CO -0.43 0.72 -0.26 0.40 -1.29 0.00 0.00 177.43 176.56 3gpw h ILE 63 N 1.08 1.32 -0.88 2.81 1.08 -0.68 -1.71 117.51 120.53 3gpw h ILE 63 Ca 0.28 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.32 3gpw h ILE 63 Cb -0.05 1.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 3gpw h ILE 63 CO -0.05 0.45 0.58 1.56 -0.69 0.00 0.00 178.15 179.99 3gpw h GLN 64 N 0.26 1.13 -0.85 2.37 4.20 -0.96 0.14 115.11 121.41 3gpw h GLN 64 Ca 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3gpw h GLN 64 Cb 0.83 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 3gpw h GLN 64 CO 0.06 0.75 0.44 1.25 -0.67 0.00 0.00 178.83 180.66 3gpw h LEU 65 N 1.16 1.08 -0.48 1.46 5.85 -1.07 -1.29 115.31 122.03 3gpw h LEU 65 Ca 0.33 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 3gpw h LEU 65 Cb -0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 3gpw h LEU 65 CO -0.08 0.89 -0.14 0.22 -0.34 0.00 0.00 178.44 178.99 3gpw h TYR 66 N 1.20 1.06 -0.93 1.25 3.20 -0.27 -1.46 116.97 121.02 3gpw h TYR 66 Ca 0.30 -0.23 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3gpw h TYR 66 Cb 0.07 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3gpw h TYR 66 CO 0.01 1.02 0.61 0.77 -1.64 0.00 0.00 178.16 178.94 3gpw h SER 67 N 0.78 1.07 -0.03 -2.11 0.02 -0.22 -1.32 113.55 111.75 3gpw h SER 67 Ca 0.12 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3gpw h SER 67 Cb 0.70 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3gpw h SER 67 CO 0.05 0.78 -0.09 0.40 -1.14 0.00 0.00 176.83 176.83 3gpw h ILE 68 N 1.26 1.47 -0.68 3.27 1.08 -1.08 0.29 117.51 123.13 3gpw h ILE 68 Ca 0.34 -1.53 0.07 0.00 -0.39 0.00 0.00 64.86 63.35 3gpw h ILE 68 Cb -0.14 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 35.97 3gpw h ILE 68 CO -0.07 0.41 0.36 -0.09 -0.69 0.00 0.00 178.15 178.07 3gpw h ARG 69 N -0.47 0.64 -0.01 2.37 2.43 -1.10 -3.01 114.38 115.23 3gpw h ARG 69 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gpw h ARG 69 Cb 0.71 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3gpw h ARG 69 CO 0.02 0.42 -0.67 0.39 -1.51 0.00 0.00 179.97 178.62 3gpw n GLU 70 N -4.81 0.71 -3.97 0.20 4.71 -0.51 -4.97 120.64 112.00 3gpw n GLU 70 Ca 0.09 -0.58 -0.27 0.00 -0.01 0.00 0.00 57.16 56.39 3gpw n GLU 70 Cb 0.20 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.12 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 -0.64 -0.67 -3.55 1.62 4.64 0.10 -4.94 116.55 113.12 3gpw n ASP 71 Ca 0.07 -1.04 -0.14 0.00 -1.38 0.00 0.00 54.79 52.30 3gpw n ASP 71 Cb 0.41 -2.91 -0.05 0.00 -1.04 0.00 0.00 41.12 37.53 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 -3.95 -0.48 -0.27 -0.67 5.04 -1.13 -5.06 117.35 110.84 3gpw s TYR 72 Ca 0.05 0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 55.18 3gpw s TYR 72 Cb -0.02 0.38 -0.00 0.00 0.35 0.00 0.00 41.96 42.67 3gpw s TYR 72 CO 0.90 -0.66 0.05 -2.00 -1.34 0.00 0.00 175.55 172.50 3gpw s GLU 73 N -2.39 3.24 0.51 4.97 2.12 -1.26 -4.18 118.70 121.71 3gpw s GLU 73 Ca -0.06 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.30 3gpw s GLU 73 Cb -0.01 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 31.03 3gpw s GLU 73 CO -0.01 -0.35 1.32 1.28 -0.54 0.00 0.00 175.26 176.96 3gpw n LEU 74 N 4.86 4.97 -4.74 2.70 4.77 -1.26 -4.96 117.00 123.34 3gpw n LEU 74 Ca -0.16 1.02 -0.32 0.00 -0.03 0.00 0.00 56.01 56.52 3gpw n LEU 74 Cb 0.49 -1.55 0.10 0.00 -2.33 0.00 0.00 43.42 40.13 3gpw n LEU 74 CO 0.31 -0.62 0.73 -0.94 -1.33 0.00 0.00 177.39 175.53 3gpw s SER 75 N -0.77 4.20 0.20 -1.43 1.04 -1.26 -4.75 113.70 110.94 3gpw s SER 75 Ca 0.68 2.08 -0.10 0.00 0.48 0.00 0.00 55.95 59.08 3gpw s SER 75 Cb -0.44 -2.56 0.24 0.00 0.10 0.00 0.00 66.02 63.36 3gpw s SER 75 CO 0.53 -2.24 1.78 -0.65 0.98 0.00 0.00 173.24 173.63 3gpw h PRO 76 N -0.83 0.51 -0.94 4.02 0.11 -1.93 -0.57 132.00 132.37 3gpw h PRO 76 Ca -0.45 -0.03 0.07 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 0.61 0.37 -0.21 0.00 0.00 178.00 179.60 3gpw h GLN 77 N 0.53 1.05 -0.19 1.05 -0.00 -1.98 -0.99 115.11 114.57 3gpw h GLN 77 Ca 0.29 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.84 3gpw h GLN 77 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 3gpw h GLN 77 CO -0.23 0.70 -0.04 0.00 0.00 0.00 0.00 178.83 179.26 3gpw h ALA 78 N 1.49 0.26 -0.18 3.38 0.00 -1.51 -2.08 119.26 120.62 3gpw h ALA 78 Ca 0.41 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gpw h ALA 78 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gpw h ALA 78 CO -0.16 0.03 -0.02 0.28 0.00 0.00 0.00 179.25 179.38 3gpw h VAL 79 N 0.08 1.13 -0.01 0.00 2.07 -0.63 -1.99 116.25 116.91 3gpw h VAL 79 Ca 0.05 -0.54 -0.22 0.00 0.82 0.00 0.00 66.70 66.81 3gpw h VAL 79 Cb 0.47 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3gpw h VAL 79 CO 0.02 0.18 -0.91 0.77 0.02 0.00 0.00 177.57 177.64 3gpw h SER 80 N 0.26 0.51 0.25 0.57 4.64 -1.07 -2.13 113.55 116.59 3gpw h SER 80 Ca 0.06 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.88 3gpw h SER 80 Cb 0.22 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3gpw h SER 80 CO 0.01 1.19 -0.41 0.28 -0.87 0.00 0.00 176.83 177.03 3gpw h SER 81 N 0.23 0.22 -0.15 4.97 0.02 -0.98 0.19 113.55 118.04 3gpw h SER 81 Ca -0.07 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3gpw h SER 81 Cb 1.54 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 3gpw h SER 81 CO 0.16 0.61 0.02 0.15 -1.14 0.00 0.00 176.83 176.63 3gpw h PHE 82 N 0.18 0.27 -0.62 3.45 3.04 -1.28 -2.12 116.94 119.87 3gpw h PHE 82 Ca 0.02 -0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.86 3gpw h PHE 82 Cb 0.80 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 3gpw h PHE 82 CO 0.01 0.44 0.14 0.28 -2.02 0.00 0.00 178.31 177.16 3gpw h VAL 83 N 0.03 1.25 -0.19 1.41 2.07 -1.00 -1.91 116.25 117.91 3gpw h VAL 83 Ca 0.05 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3gpw h VAL 83 Cb 0.31 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3gpw h VAL 83 CO 0.00 0.35 0.05 -0.09 0.02 0.00 0.00 177.57 177.90 3gpw h ARG 84 N 0.90 0.13 -0.99 1.57 2.43 -0.55 -1.91 114.38 115.96 3gpw h ARG 84 Ca 0.19 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3gpw h ARG 84 Cb 0.36 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 3gpw h ARG 84 CO 0.00 0.09 0.65 0.37 -1.51 0.00 0.00 179.97 179.57 3gpw h GLN 85 N 0.14 1.18 -0.72 0.20 4.15 -1.19 0.21 115.11 119.09 3gpw h GLN 85 Ca 0.08 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3gpw h GLN 85 Cb 0.07 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 3gpw h GLN 85 CO -0.10 0.78 0.41 0.93 -1.93 0.00 0.00 178.83 178.92 3gpw h GLU 86 N 1.22 0.98 -0.20 1.69 4.39 -0.81 -1.77 114.58 120.08 3gpw h GLU 86 Ca 0.41 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 59.83 3gpw h GLU 86 Cb 0.06 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3gpw h GLU 86 CO -0.14 0.72 -0.55 -0.07 -1.16 0.00 0.00 179.01 177.80 3gpw h LEU 87 N 0.98 0.84 -2.47 1.33 3.38 -0.57 -2.49 115.31 116.30 3gpw h LEU 87 Ca 0.25 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3gpw h LEU 87 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3gpw h LEU 87 CO -0.04 1.27 0.00 0.00 0.09 0.00 0.00 178.44 179.75 3gpw h ALA 88 N 0.59 1.00 0.03 1.53 0.00 -0.36 0.49 119.26 122.55 3gpw h ALA 88 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3gpw h ALA 88 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gpw h ALA 88 CO 0.12 0.00 -0.28 0.87 0.00 0.00 0.00 179.25 179.96 3gpw h LYS 89 N 0.00 0.05 -0.73 0.00 1.57 -1.18 -3.34 116.57 112.94 3gpw h LYS 89 Ca 0.00 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3gpw h LYS 89 Cb 0.12 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3gpw h LYS 89 CO 0.00 1.04 0.48 1.03 -0.57 0.00 0.00 179.45 181.44 3gpw h SER 90 N -0.88 0.66 -0.01 0.86 0.87 -0.85 -2.37 113.55 111.84 3gpw h SER 90 Ca -0.06 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3gpw h SER 90 Cb 1.15 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3gpw h SER 90 CO 0.01 0.42 0.01 -0.29 -0.53 0.00 0.00 176.83 176.45 3gpw h ILE 90 N 0.75 0.49 -0.27 2.23 6.09 -1.06 -1.91 117.51 123.83 3gpw h ILE 90 Ca 0.32 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.80 3gpw h ILE 90 Cb 0.29 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 3gpw h ILE 90 CO -0.11 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.51 3gpw n ARG 90 N -3.79 2.85 -2.75 2.19 1.74 -0.89 -4.87 116.66 111.12 3gpw n ARG 90 Ca -0.03 -2.87 -0.22 0.00 -0.77 0.00 0.00 57.85 53.97 3gpw n ARG 90 Cb 0.09 -1.85 0.10 0.00 -1.02 0.00 0.00 32.46 29.78 3gpw n ARG 90 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3gpw n SER 91 N -0.56 1.68 0.04 0.55 3.41 -0.72 -5.02 113.62 113.00 3gpw n SER 91 Ca 0.22 -2.32 -0.11 0.00 -0.26 0.00 0.00 58.87 56.41 3gpw n SER 91 Cb 0.91 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 3gpw n SER 91 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gpw h ARG 92 N 0.00 -0.15 -3.04 4.33 2.43 -1.95 -3.37 114.38 112.63 3gpw h ARG 92 Ca -0.31 0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.28 3gpw h ARG 92 Cb 1.25 0.03 -0.40 0.00 -0.42 0.00 0.00 29.97 30.44 3gpw h ARG 92 CO 0.37 -0.10 -0.77 0.50 -1.51 0.00 0.00 179.97 178.46 3gpw s ARG 93 N -6.16 0.82 0.66 0.20 3.52 -1.26 -5.13 118.95 111.60 3gpw s ARG 93 Ca -0.14 -1.40 -0.17 0.00 -0.13 0.00 0.00 55.73 53.88 3gpw s ARG 93 Cb 0.08 -1.86 -0.01 0.00 -1.56 0.00 0.00 34.95 31.61 3gpw s ARG 93 CO 0.67 -1.11 1.16 -2.30 -0.81 0.00 0.00 175.30 172.91 3gpw n PRO 94 N 4.24 0.89 -2.62 5.12 -0.02 -1.25 -4.97 135.00 136.39 3gpw n PRO 94 Ca 0.05 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 3gpw n PRO 94 Cb 0.38 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.54 3.24 -1.17 6.00 2.02 -1.26 -4.95 117.35 119.70 3gpw s TYR 95 Ca 0.79 1.37 -0.08 0.00 -0.37 0.00 0.00 57.07 58.78 3gpw s TYR 95 Cb -0.37 -3.35 0.24 0.00 -0.40 0.00 0.00 41.96 38.08 3gpw s TYR 95 CO 0.44 -0.70 1.49 1.04 -1.57 0.00 0.00 175.55 176.25 3gpw n GLN 96 N 6.42 3.84 -4.28 -0.62 6.02 -1.26 -4.82 117.38 122.68 3gpw n GLN 96 Ca 0.12 -4.14 -0.18 0.00 -0.01 0.00 0.00 57.00 52.79 3gpw n GLN 96 Cb 0.46 -2.72 -0.15 0.00 1.02 0.00 0.00 30.24 28.85 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 -0.83 0.61 -0.01 5.09 1.01 -1.26 -0.74 120.40 124.27 3gpw s VAL 97 Ca 0.35 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3gpw s VAL 97 Cb 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3gpw s VAL 97 CO 0.02 0.19 -0.18 0.20 0.00 0.00 0.00 175.10 175.33 3gpw s ASN 98 N 0.05 3.78 0.06 3.32 0.01 0.11 -2.09 114.94 120.20 3gpw s ASN 98 Ca -0.00 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 3gpw s ASN 98 Cb -0.06 -0.67 -0.04 0.00 0.41 0.00 0.00 41.25 40.89 3gpw s ASN 98 CO -0.00 0.31 -0.04 0.68 -1.51 0.00 0.00 177.10 176.53 3gpw s VAL 99 N -0.79 0.38 -0.07 1.60 -7.23 0.23 -1.59 120.40 112.94 3gpw s VAL 99 Ca 0.12 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3gpw s VAL 99 Cb -0.10 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3gpw s VAL 99 CO 0.02 -0.92 -0.17 -0.76 -0.31 0.00 0.00 175.10 172.96 3gpw s LEU 100 N -2.85 1.86 -0.21 1.32 1.43 -0.72 -1.41 118.68 118.10 3gpw s LEU 100 Ca 0.07 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3gpw s LEU 100 Cb 0.06 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.25 3gpw s LEU 100 CO -0.08 0.11 -0.14 -0.63 0.23 0.00 0.00 176.35 175.85 3gpw s ILE 101 N 0.35 2.38 -0.19 -0.59 1.01 0.12 -0.79 121.20 123.49 3gpw s ILE 101 Ca -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 3gpw s ILE 101 Cb -0.15 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 3gpw s ILE 101 CO 0.05 0.36 -0.10 -0.83 0.00 0.00 0.00 174.94 174.41 3gpw s GLY 102 N 1.28 1.54 0.07 6.18 0.00 0.44 0.10 107.32 116.92 3gpw s GLY 102 Ca 0.02 -1.11 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 3gpw s GLY 102 CO -0.09 0.23 0.08 -0.32 0.00 0.00 0.00 173.10 173.00 3gpw s GLY 103 N 1.14 0.28 -0.29 0.20 0.00 -0.28 -0.28 107.32 108.10 3gpw s GLY 103 Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 3gpw s GLY 103 CO -0.03 -1.05 0.02 -0.47 0.00 0.00 0.00 173.10 171.57 3gpw s TYR 104 N -3.88 3.16 0.00 1.90 6.14 0.19 0.03 117.35 124.89 3gpw s TYR 104 Ca 0.06 -1.41 0.00 0.00 0.64 0.00 0.00 57.07 56.36 3gpw s TYR 104 Cb 0.06 -2.17 0.00 0.00 0.42 0.00 0.00 41.96 40.28 3gpw s TYR 104 CO -0.10 -0.69 0.00 -3.47 0.64 0.00 0.00 175.55 171.92 3gpw n ASP 105 N 4.75 0.00 0.00 4.32 4.64 -0.69 -4.86 116.55 124.71 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 -3.39 -0.67 5.02 -1.26 -2.97 118.16 114.89 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 -2.44 0.08 0.00 -0.02 0.00 0.00 35.03 32.65 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 -2.89 -3.79 4.39 3.02 -1.26 -5.03 115.26 109.70 3gpw n ASN 106 Ca 0.00 -0.57 -0.13 0.00 -0.03 0.00 0.00 54.58 53.85 3gpw n ASN 106 Cb 0.00 -4.87 -0.11 0.00 -0.61 0.00 0.00 39.78 34.19 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 -5.49 0.37 0.47 3.52 1.02 -1.16 -5.07 119.74 113.41 3gpw s LYS 107 Ca 0.12 0.18 -0.17 0.00 0.02 0.00 0.00 55.97 56.12 3gpw s LYS 107 Cb -0.05 0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 37.34 3gpw s LYS 107 CO 0.69 -0.07 0.94 -1.25 -0.92 0.00 0.00 175.35 174.75 3gpw s PRO 108 N -0.26 4.03 -0.00 -1.68 0.04 -1.26 -1.70 135.00 134.17 3gpw s PRO 108 Ca -0.04 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3gpw s PRO 108 Cb -0.03 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3gpw s PRO 108 CO 0.01 -0.15 -0.01 -1.21 0.04 0.00 0.00 177.00 175.68 3gpw s GLU 109 N -3.70 0.09 -0.14 4.56 2.02 0.10 -4.92 118.70 116.72 3gpw s GLU 109 Ca 0.59 -0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.58 3gpw s GLU 109 Cb -0.10 -0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.03 3gpw s GLU 109 CO 0.25 -0.00 -0.19 -1.17 0.02 0.00 0.00 175.26 174.17 3gpw s LEU 110 N 0.13 1.94 -0.06 1.80 2.96 -1.26 -1.12 118.68 123.07 3gpw s LEU 110 Ca -0.01 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 3gpw s LEU 110 Cb -0.02 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 3gpw s LEU 110 CO -0.00 0.03 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.53 3gpw s TYR 111 N 1.01 2.53 -0.17 5.38 2.02 0.11 -2.08 117.35 126.16 3gpw s TYR 111 Ca -0.04 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 3gpw s TYR 111 Cb -0.15 -1.62 -0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3gpw s TYR 111 CO -0.04 -0.11 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.56 3gpw s GLN 112 N -0.28 3.25 -0.05 -0.62 0.74 -0.25 0.15 119.66 122.59 3gpw s GLN 112 Ca 0.01 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 3gpw s GLN 112 Cb -0.13 -2.72 0.03 0.00 1.10 0.00 0.00 33.01 31.29 3gpw s GLN 112 CO 0.03 -0.04 0.01 0.42 -0.55 0.00 0.00 175.29 175.16 3gpw s ILE 113 N 0.98 0.23 0.75 -2.34 1.01 -0.50 -1.20 121.20 120.14 3gpw s ILE 113 Ca -0.02 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 3gpw s ILE 113 Cb -0.15 -0.39 0.13 0.00 0.01 0.00 0.00 42.46 42.06 3gpw s ILE 113 CO -0.02 0.22 1.04 1.51 0.00 0.00 0.00 174.94 177.69 3gpw s ASP 114 N 1.78 4.22 0.32 3.58 3.84 -0.68 -0.60 116.67 129.14 3gpw s ASP 114 Ca 0.01 -0.19 0.22 0.00 -0.00 0.00 0.00 52.55 52.60 3gpw s ASP 114 Cb -0.13 -0.18 1.18 0.00 -1.38 0.00 0.00 42.92 42.42 3gpw s ASP 114 CO -0.04 -1.95 1.69 0.00 -0.00 0.00 0.00 175.17 174.87 3gpw n TYR 115 N -2.97 0.77 0.84 2.11 0.18 -0.89 -1.51 117.16 115.69 3gpw n TYR 115 Ca 0.14 0.39 0.13 0.00 1.88 0.00 0.00 57.90 60.44 3gpw n TYR 115 Cb 0.60 -1.12 0.41 0.00 -0.38 0.00 0.00 39.34 38.85 3gpw n TYR 115 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3gpw n LEU 116 N -2.28 0.42 0.00 -3.48 4.77 -1.26 -4.57 117.00 110.60 3gpw n LEU 116 Ca -0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3gpw n LEU 116 Cb 0.06 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3gpw n LEU 116 CO 0.11 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3gpw n GLY 117 N 1.43 1.00 3.62 -0.72 0.00 -0.57 -4.20 105.19 105.76 3gpw n GLY 117 Ca 0.06 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 4.66 -0.04 2.61 2.01 -1.25 -4.81 115.64 116.82 3gpw s THR 118 Ca 0.00 1.44 0.06 0.00 0.31 0.00 0.00 61.69 63.50 3gpw s THR 118 Cb 0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 3gpw s THR 118 CO 0.00 -0.36 -0.21 -0.75 -0.69 0.00 0.00 174.62 172.61 3gpw s LYS 119 N 3.27 2.34 -0.01 4.92 2.20 -1.26 -1.68 119.74 129.52 3gpw s LYS 119 Ca 0.38 -0.84 -0.12 0.00 -0.36 0.00 0.00 55.97 55.03 3gpw s LYS 119 Cb -0.13 -2.19 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 3gpw s LYS 119 CO 0.14 0.55 0.25 0.54 -0.36 0.00 0.00 175.35 176.47 3gpw s VAL 120 N -0.57 0.06 -0.16 4.02 0.11 -0.34 -5.00 120.40 118.53 3gpw s VAL 120 Ca 0.08 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 3gpw s VAL 120 Cb -0.11 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3gpw s VAL 120 CO 0.00 -0.29 0.02 -0.70 -3.33 0.00 0.00 175.10 170.80 3gpw s GLU 121 N -1.30 3.75 0.13 1.54 2.12 -1.26 -1.10 118.70 122.58 3gpw s GLU 121 Ca -0.13 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 3gpw s GLU 121 Cb -0.06 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3gpw s GLU 121 CO 0.03 0.31 0.09 -0.51 -0.54 0.00 0.00 175.26 174.64 3gpw s LEU 122 N 0.21 1.70 0.22 2.70 1.43 -0.88 -5.02 118.68 119.04 3gpw s LEU 122 Ca 0.01 -1.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.02 3gpw s LEU 122 Cb -0.13 0.46 0.19 0.00 0.03 0.00 0.00 46.19 46.74 3gpw s LEU 122 CO 0.02 -0.74 1.53 -0.65 0.23 0.00 0.00 176.35 176.73 3gpw h PRO 123 N 2.84 0.31 -2.30 1.29 0.11 -1.90 -3.38 132.00 128.97 3gpw h PRO 123 Ca -0.34 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 3gpw h PRO 123 Cb 1.20 0.03 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 3gpw h PRO 123 CO 0.58 0.84 0.11 1.52 -0.21 0.00 0.00 178.00 180.83 3gpw s TYR 124 N -3.76 -0.56 0.30 0.65 1.13 -1.26 0.17 117.35 114.02 3gpw s TYR 124 Ca -0.05 0.88 -0.19 0.00 -1.41 0.00 0.00 57.07 56.30 3gpw s TYR 124 Cb 0.12 0.37 0.05 0.00 -1.10 0.00 0.00 41.96 41.39 3gpw s TYR 124 CO 0.81 -0.60 0.83 0.20 -2.51 0.00 0.00 175.55 174.28 3gpw s GLY 125 N -1.41 0.12 0.30 5.49 0.00 -0.17 -4.99 107.32 106.67 3gpw s GLY 125 Ca -0.10 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 43.97 3gpw s GLY 125 CO 0.06 0.17 0.79 0.00 0.00 0.00 0.00 173.10 174.12 3gpw s ALA 126 N -2.88 -1.13 0.11 3.20 0.00 -1.26 -1.00 121.76 118.80 3gpw s ALA 126 Ca 0.15 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3gpw s ALA 126 Cb -0.05 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3gpw s ALA 126 CO 0.08 -1.02 -0.16 -1.01 0.00 0.00 0.00 175.76 173.64 3gpw s HIS 127 N -3.23 1.52 0.00 0.00 3.76 -1.11 -4.81 115.29 111.42 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 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.83 3gpw s HIS 127 CO 0.08 0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 3gpw n GLY 128 N 0.78 0.27 0.14 -2.22 0.00 -1.26 -3.65 105.19 99.25 3gpw n GLY 128 Ca -0.17 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.91 1.61 0.05 -1.92 -3.38 116.97 112.41 3gpw h TYR 129 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.01 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 0.11 0.01 0.77 -1.05 0.00 0.00 178.16 177.99 3gpw h SER 130 N 0.00 -0.46 -0.85 3.88 0.02 -1.88 0.11 113.55 114.38 3gpw h SER 130 Ca -0.02 0.25 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 3gpw h SER 130 Cb 1.10 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 64.03 3gpw h SER 130 CO 0.01 -0.29 0.56 1.23 -1.14 0.00 0.00 176.83 177.20 3gpw h GLY 131 N 0.05 1.21 0.52 -3.77 0.00 -1.79 -2.39 103.07 96.91 3gpw h GLY 131 Ca 0.53 -0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.59 3gpw h GLY 131 CO -0.84 0.28 0.63 0.74 0.00 0.00 0.00 176.54 177.35 3gpw h PHE 132 N 0.95 1.12 0.03 5.60 0.04 -1.05 0.88 116.94 124.51 3gpw h PHE 132 Ca 0.37 0.03 -0.28 0.00 2.80 0.00 0.00 57.97 60.89 3gpw h PHE 132 Cb 0.21 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 3gpw h PHE 132 CO -0.00 0.46 -1.53 1.88 -0.60 0.00 0.00 178.31 178.52 3gpw h TYR 133 N 0.99 0.12 0.01 -0.55 0.05 -1.52 -3.42 116.97 112.65 3gpw h TYR 133 Ca 0.48 -0.09 -0.34 0.00 0.05 0.00 0.00 58.73 58.83 3gpw h TYR 133 Cb 0.46 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 3gpw h TYR 133 CO -0.00 1.13 -2.11 0.25 -1.05 0.00 0.00 178.16 176.37 3gpw n THR 134 N -3.22 1.51 0.02 -2.88 -2.24 -0.93 -4.54 114.28 102.00 3gpw n THR 134 Ca -0.14 -0.79 0.21 0.00 -2.27 0.00 0.00 64.05 61.05 3gpw n THR 134 Cb 1.02 -0.86 0.72 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.01 0.00 0.00 4.78 0.04 -1.07 0.15 116.94 120.85 3gpw h PHE 135 Ca -0.44 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.18 3gpw h PHE 135 Cb 2.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.24 3gpw h PHE 135 CO 0.01 0.00 -0.71 0.66 -0.60 0.00 0.00 178.31 177.67 3gpw h SER 136 N 0.00 0.00 -0.14 2.17 4.64 -1.81 0.11 113.55 118.53 3gpw h SER 136 Ca 0.24 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.37 3gpw h SER 136 Cb 1.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3gpw h SER 136 CO -0.00 0.71 -0.65 -0.07 -0.87 0.00 0.00 176.83 175.95 3gpw h LEU 137 N 0.00 0.81 -0.25 5.97 3.38 -1.26 -2.85 115.31 121.11 3gpw h LEU 137 Ca -0.01 -0.63 -0.18 0.00 0.09 0.00 0.00 57.88 57.15 3gpw h LEU 137 Cb 1.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3gpw h LEU 137 CO 0.09 1.31 -0.56 -0.07 0.09 0.00 0.00 178.44 179.30 3gpw h LEU 138 N 0.36 0.93 -2.20 1.67 3.38 -1.28 -1.49 115.31 116.69 3gpw h LEU 138 Ca -0.04 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.40 3gpw h LEU 138 Cb 1.28 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3gpw h LEU 138 CO 0.13 1.31 0.07 0.44 0.09 0.00 0.00 178.44 180.49 3gpw h ASP 139 N 0.59 0.00 0.00 -0.43 3.32 -0.82 -0.86 116.42 118.22 3gpw h ASP 139 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gpw h ASP 139 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3gpw h ASP 139 CO 0.12 0.00 -0.21 -0.74 -1.72 0.00 0.00 179.24 176.69 3gpw h HIS 140 N 0.00 0.00 0.00 4.55 2.76 -1.24 -3.40 115.15 117.81 3gpw h HIS 140 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3gpw h HIS 140 Cb 0.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3gpw h HIS 140 CO 0.00 0.00 -0.06 0.72 -1.30 0.00 0.00 177.93 177.29 3gpw n HIS 141 N -4.38 0.14 -2.11 5.26 8.25 -0.58 -4.94 115.22 116.85 3gpw n HIS 141 Ca -0.03 0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3gpw n HIS 141 Cb 0.11 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 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 -3.02 3.16 -0.02 4.41 5.04 -0.33 -5.03 117.35 121.55 3gpw s TYR 142 Ca 0.13 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 3gpw s TYR 142 Cb 0.18 -3.72 0.03 0.00 0.35 0.00 0.00 41.96 38.80 3gpw s TYR 142 CO 0.56 -2.37 0.01 1.03 -1.34 0.00 0.00 175.55 173.44 3gpw s ARG 143 N 0.09 0.18 0.60 4.97 1.81 -1.26 -5.03 118.95 120.31 3gpw s ARG 143 Ca 0.60 0.10 0.29 0.00 -1.72 0.00 0.00 55.73 55.00 3gpw s ARG 143 Cb -0.39 -0.39 1.57 0.00 -0.45 0.00 0.00 34.95 35.29 3gpw s ARG 143 CO 0.38 -0.14 1.98 -1.35 -0.68 0.00 0.00 175.30 175.50 3gpw h PRO 144 N 7.20 0.00 -0.61 3.54 0.11 -1.96 -1.95 132.00 138.33 3gpw h PRO 144 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gpw h PRO 144 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gpw h PRO 144 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3gpw n ASP 145 N -3.67 5.16 -4.75 -2.05 3.85 -1.26 -3.42 116.55 110.41 3gpw n ASP 145 Ca 0.05 -2.66 -0.39 0.00 -0.71 0.00 0.00 54.79 51.08 3gpw n ASP 145 Cb 0.51 -0.62 0.04 0.00 -1.35 0.00 0.00 41.12 39.69 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 -2.24 3.20 0.61 0.11 -1.94 -0.74 -4.69 119.30 113.60 3gpw s MET 146 Ca 0.53 2.28 -0.07 0.00 -1.71 0.00 0.00 55.69 56.71 3gpw s MET 146 Cb 0.37 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.90 3gpw s MET 146 CO 0.21 -1.16 0.94 0.95 -0.01 0.00 0.00 175.02 175.95 3gpw s THR 147 N -1.28 3.76 0.36 2.05 -4.23 -1.26 -1.65 115.64 113.38 3gpw s THR 147 Ca 0.70 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 61.41 3gpw s THR 147 Cb -0.41 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.21 3gpw s THR 147 CO 0.49 -0.56 1.96 0.74 -0.54 0.00 0.00 174.62 176.72 3gpw h THR 148 N -0.25 1.04 -0.49 3.99 2.02 -1.96 -0.29 112.91 116.97 3gpw h THR 148 Ca -0.45 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3gpw h THR 148 Cb 1.25 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3gpw h THR 148 CO 0.61 0.14 0.09 -0.08 0.37 0.00 0.00 175.52 176.66 3gpw h GLU 149 N 0.79 0.75 -0.02 6.66 4.57 -2.00 -1.35 114.58 123.99 3gpw h GLU 149 Ca 0.31 -0.16 -0.14 0.00 -1.18 0.00 0.00 59.36 58.19 3gpw h GLU 149 Cb 0.21 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3gpw h GLU 149 CO -0.10 0.70 -0.64 0.93 -1.18 0.00 0.00 179.01 178.72 3gpw h GLU 150 N 0.73 0.06 -0.33 1.92 5.08 -1.47 -2.60 114.58 117.98 3gpw h GLU 150 Ca 0.16 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3gpw h GLU 150 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3gpw h GLU 150 CO 0.00 0.68 -0.13 0.78 -1.00 0.00 0.00 179.01 179.35 3gpw h GLY 151 N 1.81 0.72 1.99 -3.84 0.00 -0.57 -1.82 103.07 101.36 3gpw h GLY 151 Ca -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 3gpw h GLY 151 CO 0.09 0.57 -0.20 1.41 0.00 0.00 0.00 176.54 178.41 3gpw h LEU 152 N 0.44 0.02 -0.23 3.11 3.38 -1.17 -1.12 115.31 119.75 3gpw h LEU 152 Ca 0.08 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 3gpw h LEU 152 Cb 0.64 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3gpw h LEU 152 CO 0.04 0.22 -0.86 0.44 0.09 0.00 0.00 178.44 178.37 3gpw h ASP 153 N 0.02 0.63 -0.16 -0.43 3.45 -1.23 -1.95 116.42 116.75 3gpw h ASP 153 Ca 0.00 -0.46 -0.14 0.00 0.43 0.00 0.00 57.03 56.87 3gpw h ASP 153 Cb 0.36 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 3gpw h ASP 153 CO 0.03 1.24 -0.37 0.25 -1.57 0.00 0.00 179.24 178.81 3gpw h LEU 154 N 0.31 0.72 -0.13 1.55 5.85 -0.94 -2.32 115.31 120.36 3gpw h LEU 154 Ca -0.06 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3gpw h LEU 154 Cb 1.47 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3gpw h LEU 154 CO 0.16 1.02 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.18 3gpw h LEU 155 N 0.57 0.24 -0.83 2.25 3.38 -1.19 -1.93 115.31 117.79 3gpw h LEU 155 Ca 0.05 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.84 3gpw h LEU 155 Cb 0.89 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3gpw h LEU 155 CO 0.08 0.53 0.37 0.50 0.09 0.00 0.00 178.44 180.02 3gpw h LYS 156 N -0.06 0.48 -0.72 1.13 3.64 -1.27 0.44 116.57 120.21 3gpw h LYS 156 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3gpw h LYS 156 Cb 0.42 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3gpw h LYS 156 CO 0.01 0.32 0.39 1.25 -2.27 0.00 0.00 179.45 179.15 3gpw h LEU 157 N 0.49 0.91 -0.26 5.20 5.85 -1.14 -0.92 115.31 125.45 3gpw h LEU 157 Ca 0.47 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3gpw h LEU 157 Cb 0.76 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gpw h LEU 157 CO -0.43 0.75 0.10 0.00 -0.34 0.00 0.00 178.44 178.53 3gpw h VAL 159 N 0.27 1.17 -0.40 0.00 2.07 -0.03 -0.87 116.25 118.46 3gpw h VAL 159 Ca 0.09 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 3gpw h VAL 159 Cb 0.19 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3gpw h VAL 159 CO -0.01 0.20 -0.13 1.56 0.02 0.00 0.00 177.57 179.21 3gpw h GLN 160 N 0.63 0.80 -0.73 1.57 4.20 -0.89 0.14 115.11 120.83 3gpw h GLN 160 Ca 0.16 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3gpw h GLN 160 Cb 0.12 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3gpw h GLN 160 CO -0.02 0.94 0.38 1.49 -0.67 0.00 0.00 178.83 180.96 3gpw h GLU 161 N 0.61 1.03 -0.52 1.46 4.57 -0.90 -1.79 114.58 119.04 3gpw h GLU 161 Ca 0.10 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3gpw h GLU 161 Cb 0.67 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3gpw h GLU 161 CO 0.05 0.79 0.21 -0.07 -1.18 0.00 0.00 179.01 178.80 3gpw h LEU 162 N 1.01 0.72 0.00 1.64 3.38 -0.87 -1.53 115.31 119.66 3gpw h LEU 162 Ca 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gpw h LEU 162 Cb 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3gpw h LEU 162 CO -0.04 0.69 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 3gpw n GLU 163 N -4.53 0.06 -0.13 1.13 1.02 0.47 -1.81 120.64 116.85 3gpw n GLU 163 Ca 0.02 0.20 -0.27 0.00 -0.02 0.00 0.00 57.16 57.08 3gpw n GLU 163 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 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 -1.45 0.58 0.05 3.49 4.81 -0.71 -4.73 118.16 120.20 3gpw n LYS 164 Ca 0.05 0.35 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 3gpw n LYS 164 Cb 0.18 -1.56 -0.09 0.00 0.02 0.00 0.00 35.03 33.58 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 -4.30 0.63 -2.75 1.64 5.12 -0.65 -4.93 116.66 111.43 3gpw n ARG 165 Ca -0.48 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 54.99 3gpw n ARG 165 Cb 0.83 -1.68 -0.04 0.00 -1.16 0.00 0.00 32.46 30.42 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 -3.43 4.58 0.53 5.56 1.75 -0.75 -4.95 119.30 122.59 3gpw s MET 166 Ca -0.04 1.37 0.18 0.00 -1.25 0.00 0.00 55.69 55.95 3gpw s MET 166 Cb 0.12 -3.44 1.33 0.00 2.84 0.00 0.00 34.83 35.68 3gpw s MET 166 CO 0.85 0.03 2.15 -1.35 -0.65 0.00 0.00 175.02 176.06 3gpw h PRO 167 N 6.46 0.00 -6.19 4.11 0.11 -1.91 -3.45 132.00 131.13 3gpw h PRO 167 Ca -0.42 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.13 3gpw h PRO 167 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3gpw h PRO 167 CO 0.74 0.00 -0.33 -1.64 -0.21 0.00 0.00 178.00 176.56 3gpw s MET 168 N -5.02 3.56 -0.53 1.05 -1.94 -1.26 -5.05 119.30 110.10 3gpw s MET 168 Ca -0.05 -0.23 -0.18 0.00 -1.71 0.00 0.00 55.69 53.52 3gpw s MET 168 Cb 0.17 -2.85 0.08 0.00 2.01 0.00 0.00 34.83 34.24 3gpw s MET 168 CO 0.66 0.43 0.61 0.34 -0.01 0.00 0.00 175.02 177.05 3gpw s ASP 169 N -2.81 6.19 -0.01 3.03 -1.08 -1.26 -4.90 116.67 115.83 3gpw s ASP 169 Ca 0.40 -1.24 0.11 0.00 -0.52 0.00 0.00 52.55 51.29 3gpw s ASP 169 Cb -0.12 -2.27 0.33 0.00 -1.46 0.00 0.00 42.92 39.40 3gpw s ASP 169 CO 0.27 -0.93 1.25 2.22 0.52 0.00 0.00 175.17 178.50 3gpw n PHE 170 N 5.99 0.54 -3.52 -5.34 1.16 -1.26 -4.90 117.46 110.13 3gpw n PHE 170 Ca -0.09 -0.25 -0.26 0.00 -1.87 0.00 0.00 57.45 54.98 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 0.53 -5.56 -0.38 3.97 4.76 -1.26 -2.17 118.16 118.06 3gpw n LYS 171 Ca 0.12 0.71 0.05 0.00 -2.87 0.00 0.00 58.31 56.32 3gpw n LYS 171 Cb 0.34 -5.60 -0.01 0.00 -1.84 0.00 0.00 35.03 27.92 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 -1.63 -1.58 3.34 0.72 0.00 -1.26 -4.30 105.19 100.47 3gpw n GLY 172 Ca -0.01 -1.43 -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 -1.54 1.71 -0.15 1.61 -7.23 -1.26 -1.01 120.40 112.53 3gpw s VAL 173 Ca 0.00 -2.20 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 3gpw s VAL 173 Cb 0.00 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3gpw s VAL 173 CO 0.00 -0.60 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.54 3gpw s ILE 174 N -2.99 4.09 -0.05 -0.62 1.01 -0.07 -4.88 121.20 117.68 3gpw s ILE 174 Ca 0.22 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3gpw s ILE 174 Cb -0.01 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3gpw s ILE 174 CO 0.06 0.50 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 3gpw s VAL 175 N 0.21 3.16 -0.00 2.92 1.01 -1.26 -1.86 120.40 124.58 3gpw s VAL 175 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3gpw s VAL 175 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3gpw s VAL 175 CO 0.02 0.59 -0.06 -0.54 0.00 0.00 0.00 175.10 175.11 3gpw s LYS 176 N -0.76 0.50 -0.07 2.72 1.02 -0.45 -1.42 119.74 121.27 3gpw s LYS 176 Ca 0.12 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.85 3gpw s LYS 176 Cb -0.11 -0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 3gpw s LYS 176 CO 0.01 0.12 -0.07 0.42 -0.92 0.00 0.00 175.35 174.91 3gpw s ILE 177 N -0.25 3.66 -0.13 2.17 1.01 0.16 -1.49 121.20 126.33 3gpw s ILE 177 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3gpw s ILE 177 Cb -0.03 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.96 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 -0.69 1.49 0.06 2.92 1.01 -0.12 -1.48 120.40 123.60 3gpw s VAL 178 Ca 0.10 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gpw s VAL 178 Cb -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3gpw s VAL 178 CO 0.02 0.44 0.09 -0.90 0.00 0.00 0.00 175.10 174.75 3gpw n ASP 179 N 4.54 -0.25 0.07 3.32 5.68 -0.03 -1.24 116.55 128.64 3gpw n ASP 179 Ca -0.17 -1.34 0.20 0.00 -0.50 0.00 0.00 54.79 52.98 3gpw n ASP 179 Cb 0.51 0.47 0.64 0.00 -1.14 0.00 0.00 41.12 41.59 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 -0.48 0.11 2.10 -1.92 0.22 116.57 116.60 3gpw h LYS 180 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3gpw h LYS 180 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3gpw h LYS 180 CO 0.07 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 3gpw n ASP 181 N -3.40 3.57 0.00 7.07 8.00 -1.26 -5.08 116.55 125.46 3gpw n ASP 181 Ca 0.09 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3gpw n ASP 181 Cb 0.82 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.17 3.23 0.44 0.00 0.78 -5.00 105.19 106.30 3gpw n GLY 183 Ca 0.20 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 2.28 0.07 -0.61 1.01 -1.24 -0.85 121.20 121.86 3gpw s ILE 184 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3gpw s ILE 184 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3gpw s ILE 184 CO 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 174.94 175.39 3gpw s ARG 185 N 0.61 0.70 -0.16 2.79 1.70 -0.55 -4.98 118.95 119.05 3gpw s ARG 185 Ca -0.11 -0.96 -0.06 0.00 -0.47 0.00 0.00 55.73 54.13 3gpw s ARG 185 Cb -0.16 -0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 33.73 3gpw s ARG 185 CO 0.03 0.08 0.04 -1.14 -1.08 0.00 0.00 175.30 173.22 3gpw s GLN 186 N -2.15 3.80 -1.22 3.89 0.74 -1.26 -0.66 119.66 122.80 3gpw s GLN 186 Ca -0.02 -0.37 -0.19 0.00 0.05 0.00 0.00 55.36 54.82 3gpw s GLN 186 Cb -0.07 -3.11 0.07 0.00 1.10 0.00 0.00 33.01 31.00 3gpw s GLN 186 CO 0.00 0.33 1.64 0.08 -0.55 0.00 0.00 175.29 176.79 3gpw s VAL 187 N 0.18 4.13 -0.76 1.34 1.01 -0.51 -4.81 120.40 120.98 3gpw s VAL 187 Ca 0.03 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.37 3gpw s VAL 187 Cb -0.13 -5.14 0.02 0.00 0.00 0.00 0.00 36.38 31.14 3gpw s VAL 187 CO 0.01 -1.97 1.00 -0.90 0.00 0.00 0.00 175.10 173.24 3gpw n ASP 188 N 8.33 0.06 -3.94 3.32 3.85 -1.26 -3.80 116.55 123.10 3gpw n ASP 188 Ca 0.44 0.46 -0.30 0.00 -0.71 0.00 0.00 54.79 54.68 3gpw n ASP 188 Cb 0.47 -0.46 -0.11 0.00 -1.35 0.00 0.00 41.12 39.67 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 -2.97 5.09 0.00 -1.12 -4.77 -1.26 -4.68 116.67 106.96 3gpw s ASP 189 Ca -0.00 -3.84 0.00 0.00 -3.30 0.00 0.00 52.55 45.41 3gpw s ASP 189 Cb 0.01 -1.70 0.00 0.00 -1.09 0.00 0.00 42.92 40.14 3gpw s ASP 189 CO 0.02 -0.10 0.02 0.33 0.70 0.00 0.00 175.17 176.13 3gpw n PHE 190 N 2.03 0.00 0.16 2.11 -0.00 -1.25 -4.23 117.46 116.28 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 0.09 0.00 -0.00 0.00 0.00 39.48 39.92 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 -0.49 0.03 0.00 -4.13 3.00 -1.26 -3.76 117.38 110.76 3gpw n GLN 191 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 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 1.07 -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 0.16 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