#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9j s LYS 2 N 0.00 3.09 0.46 2.12 2.36 -1.26 -5.06 119.74 121.45 1v9j s LYS 2 Ca 0.00 -2.56 0.04 0.00 -2.55 0.00 0.00 55.97 50.90 1v9j s LYS 2 Cb 0.00 -4.06 0.01 0.00 -1.05 0.00 0.00 37.83 32.73 1v9j s LYS 2 CO 0.00 -1.23 0.65 0.20 1.55 0.00 0.00 175.35 176.52 1v9j s GLY 3 N 1.27 1.77 0.00 5.54 0.00 -1.26 -4.97 107.32 109.68 1v9j s GLY 3 Ca 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1v9j s GLY 3 CO -0.06 -1.18 0.00 -1.14 0.00 0.00 0.00 173.10 170.72 1v9j n SER 4 N -2.05 0.00 -4.24 1.64 3.41 -1.26 -5.08 113.62 106.04 1v9j n SER 4 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 1v9j n SER 4 Cb 0.59 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1v9j n SER 4 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v9j s SER 5 N -1.43 5.79 -0.12 4.04 0.01 -1.26 -4.92 113.70 115.82 1v9j s SER 5 Ca 0.00 -1.83 -0.18 0.00 1.31 0.00 0.00 55.95 55.25 1v9j s SER 5 Cb 0.00 -2.05 -0.26 0.00 0.21 0.00 0.00 66.02 63.92 1v9j s SER 5 CO 0.00 -0.70 0.54 0.45 0.41 0.00 0.00 173.24 173.93 1v9j h HIS 6 N 8.53 0.32 -1.67 2.43 3.86 -2.04 -3.44 115.15 123.15 1v9j h HIS 6 Ca -0.23 -0.23 -0.48 0.00 -1.16 0.00 0.00 60.37 58.27 1v9j h HIS 6 Cb 1.08 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 29.54 1v9j h HIS 6 CO 0.65 1.47 1.61 -1.01 0.86 0.00 0.00 177.93 181.51 1v9j s HIS 7 N -2.43 1.09 0.30 2.45 3.76 -1.26 -4.91 115.29 114.29 1v9j s HIS 7 Ca -0.21 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 1v9j s HIS 7 Cb 0.04 -3.63 -0.00 0.00 1.11 0.00 0.00 32.58 30.09 1v9j s HIS 7 CO 0.73 -2.74 0.01 0.72 -0.85 0.00 0.00 174.74 172.61 1v9j n HIS 8 N 15.34 0.67 0.00 1.40 8.25 -1.26 -5.07 115.22 134.54 1v9j n HIS 8 Ca 0.36 -1.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 1v9j n HIS 8 Cb 0.54 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1v9j n HIS 8 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1v9j n HIS 9 N -0.75 -1.03 -1.49 4.41 -0.00 -1.26 -5.17 115.22 109.93 1v9j n HIS 9 Ca -0.12 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.21 1v9j n HIS 9 Cb 0.39 0.29 -0.04 0.00 -0.12 0.00 0.00 29.99 30.50 1v9j n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1v9j n HIS 10 N -2.07 -3.30 -3.00 1.57 -0.00 -1.26 -4.98 115.22 102.18 1v9j n HIS 10 Ca 0.00 1.43 -0.02 0.00 0.46 0.00 0.00 57.72 59.59 1v9j n HIS 10 Cb 0.00 -2.63 0.01 0.00 -0.12 0.00 0.00 29.99 27.24 1v9j n HIS 10 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1v9j n HIS 11 N -3.63 -2.77 -0.05 1.57 8.25 -1.26 -5.00 115.22 112.33 1v9j n HIS 11 Ca 0.01 1.05 -0.03 0.00 -0.26 0.00 0.00 57.72 58.49 1v9j n HIS 11 Cb 0.52 -3.99 -0.01 0.00 1.12 0.00 0.00 29.99 27.63 1v9j n HIS 11 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1v9j h SER 12 N 0.26 0.00 -3.93 0.41 0.02 -2.08 -3.48 113.55 104.74 1v9j h SER 12 Ca -0.07 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.27 1v9j h SER 12 Cb 1.04 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 1v9j h SER 12 CO 0.30 0.51 -0.84 -0.44 -1.14 0.00 0.00 176.83 175.22 1v9j s SER 13 N -5.08 2.90 0.00 3.07 0.01 -1.26 -5.00 113.70 108.35 1v9j s SER 13 Ca -0.08 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1v9j s SER 13 Cb 0.01 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1v9j s SER 13 CO 0.12 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1v9j n GLY 14 N 0.87 0.00 3.12 3.44 0.00 -1.26 -5.12 105.19 106.24 1v9j n GLY 14 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1v9j n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9j s ALA 15 N 0.00 3.55 -0.79 4.61 0.00 -1.26 -5.04 121.76 122.83 1v9j s ALA 15 Ca 0.00 -3.12 -0.26 0.00 0.00 0.00 0.00 51.96 48.59 1v9j s ALA 15 Cb 0.00 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.44 1v9j s ALA 15 CO 0.00 -2.06 1.50 0.45 0.00 0.00 0.00 175.76 175.65 1v9j s SER 16 N 1.08 5.95 -0.26 0.00 0.15 -1.26 -4.95 113.70 114.42 1v9j s SER 16 Ca 0.15 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.28 1v9j s SER 16 Cb -0.20 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.62 1v9j s SER 16 CO -0.04 -1.96 -0.06 -0.76 1.20 0.00 0.00 173.24 171.62 1v9j s LEU 17 N 6.68 3.10 -0.26 3.45 1.43 -1.26 -4.91 118.68 126.91 1v9j s LEU 17 Ca 0.47 -1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1v9j s LEU 17 Cb -0.07 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1v9j s LEU 17 CO 0.09 -0.24 0.06 0.52 0.23 0.00 0.00 176.35 177.01 1v9j n VAL 18 N 4.55-10.12 0.19 -1.59 0.31 -1.26 -4.91 118.33 105.50 1v9j n VAL 18 Ca -0.11 1.42 0.04 0.00 -0.01 0.00 0.00 64.34 65.69 1v9j n VAL 18 Cb 0.43 -6.44 0.38 0.00 -0.91 0.00 0.00 33.84 27.30 1v9j n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1v9j h PRO 19 N 2.39 0.00 -6.57 5.55 0.13 -1.91 -3.39 132.00 128.19 1v9j h PRO 19 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1v9j h PRO 19 Cb 0.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.20 1v9j h PRO 19 CO 0.09 0.37 0.13 0.50 -0.23 0.00 0.00 178.00 178.86 1v9j s ARG 20 N -3.95 4.32 -1.81 0.86 6.06 -1.26 -3.39 118.95 119.77 1v9j s ARG 20 Ca -0.02 0.94 0.00 0.00 -2.50 0.00 0.00 55.73 54.15 1v9j s ARG 20 Cb 0.13 -2.94 0.00 0.00 0.06 0.00 0.00 34.95 32.20 1v9j s ARG 20 CO 0.70 0.42 0.00 0.41 -2.50 0.00 0.00 175.30 174.33 1v9j n GLY 21 N 0.87 -0.10 1.43 8.12 0.00 -1.26 -4.74 105.19 109.51 1v9j n GLY 21 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1v9j n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v9j n SER 22 N -1.81 -0.38 -2.11 1.61 7.64 -1.25 -5.00 113.62 112.33 1v9j n SER 22 Ca -0.24 -1.09 -0.26 0.00 1.01 0.00 0.00 58.87 58.29 1v9j n SER 22 Cb 0.68 0.16 0.12 0.00 -1.01 0.00 0.00 64.21 64.16 1v9j n SER 22 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1v9j n GLU 23 N -0.30 2.53 -3.01 1.43 2.13 -1.22 -4.68 120.64 117.52 1v9j n GLU 23 Ca -0.06 -3.28 -0.16 0.00 0.66 0.00 0.00 57.16 54.32 1v9j n GLU 23 Cb 0.53 -2.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.03 1v9j n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1v9j n GLY 24 N -1.00 1.18 0.09 8.31 0.00 -1.26 -5.01 105.19 107.49 1v9j n GLY 24 Ca 0.56 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1v9j n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9j h ALA 25 N 4.50 -0.24 -2.67 4.61 0.00 -2.04 -3.47 119.26 119.96 1v9j h ALA 25 Ca 0.04 -0.04 -0.42 0.00 0.00 0.00 0.00 54.91 54.50 1v9j h ALA 25 Cb 0.98 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1v9j h ALA 25 CO 0.32 -0.23 -0.51 0.00 0.00 0.00 0.00 179.25 178.83 1v9j n ALA 26 N -2.47 -0.57 0.18 0.00 0.00 -1.26 -4.84 120.51 111.55 1v9j n ALA 26 Ca -0.02 0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1v9j n ALA 26 Cb 0.06 -2.16 0.65 0.00 0.00 0.00 0.00 19.45 18.00 1v9j n ALA 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1v9j h THR 27 N 0.00 0.93 0.00 0.00 2.02 -2.03 -2.89 112.91 110.94 1v9j h THR 27 Ca -0.48 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.57 1v9j h THR 27 Cb 1.36 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1v9j h THR 27 CO 0.59 0.00 -1.63 0.23 0.37 0.00 0.00 175.52 175.08 1v9j n MET 28 N -4.49 1.69 -1.44 6.66 2.81 -1.26 -5.12 117.12 115.96 1v9j n MET 28 Ca 0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1v9j n MET 28 Cb 0.23 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1v9j n MET 28 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1v9j n GLU 29 N -2.21 -4.14 -2.58 0.03 2.13 -1.09 -4.97 120.64 107.81 1v9j n GLU 29 Ca -0.12 3.08 -0.05 0.00 0.66 0.00 0.00 57.16 60.73 1v9j n GLU 29 Cb 0.65 -3.46 -0.04 0.00 0.27 0.00 0.00 31.44 28.86 1v9j n GLU 29 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1v9j n LEU 30 N -0.85 -6.12 -4.05 4.31 4.32 -1.26 -5.07 117.00 108.28 1v9j n LEU 30 Ca 0.00 2.36 -0.08 0.00 -0.02 0.00 0.00 56.01 58.27 1v9j n LEU 30 Cb 0.00 -3.21 -0.09 0.00 -1.62 0.00 0.00 43.42 38.50 1v9j n LEU 30 CO 0.00 -3.85 -0.28 -0.55 -1.22 0.00 0.00 177.39 171.49 1v9j s SER 31 N -0.62 0.37 0.11 -1.43 0.15 -1.26 -5.03 113.70 105.99 1v9j s SER 31 Ca -0.23 -0.96 -0.21 0.00 0.70 0.00 0.00 55.95 55.25 1v9j s SER 31 Cb 0.02 0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 64.47 1v9j s SER 31 CO 0.63 -0.66 1.75 0.00 1.20 0.00 0.00 173.24 176.17 1v9j h ALA 32 N 3.00 0.12 -0.15 5.45 0.00 -1.97 -2.13 119.26 123.58 1v9j h ALA 32 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1v9j h ALA 32 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1v9j h ALA 32 CO 0.62 -0.41 0.07 0.22 0.00 0.00 0.00 179.25 179.75 1v9j h ASP 33 N 0.11 0.18 0.27 0.00 1.82 -1.97 -1.08 116.42 115.74 1v9j h ASP 33 Ca 0.04 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1v9j h ASP 33 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1v9j h ASP 33 CO -0.03 0.16 -0.13 0.22 -1.61 0.00 0.00 179.24 177.85 1v9j h TYR 34 N 0.20 -0.34 -0.03 0.28 3.20 -1.80 0.27 116.97 118.75 1v9j h TYR 34 Ca 0.05 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1v9j h TYR 34 Cb 0.03 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1v9j h TYR 34 CO 0.00 -0.20 -0.46 -0.07 -1.64 0.00 0.00 178.16 175.79 1v9j h LEU 35 N -0.39 0.08 0.43 2.82 3.38 -1.21 -1.67 115.31 118.75 1v9j h LEU 35 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1v9j h LEU 35 Cb 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1v9j h LEU 35 CO 0.06 0.53 -0.20 -0.09 0.09 0.00 0.00 178.44 178.83 1v9j h ARG 36 N 0.07 -0.55 -0.68 1.13 2.43 -0.92 -2.39 114.38 113.47 1v9j h ARG 36 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1v9j h ARG 36 Cb 0.84 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1v9j h ARG 36 CO 0.06 -0.27 0.45 0.93 -1.51 0.00 0.00 179.97 179.64 1v9j h GLU 37 N -1.05 0.85 1.01 0.20 4.39 -0.52 0.35 114.58 119.82 1v9j h GLU 37 Ca -0.06 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1v9j h GLU 37 Cb 0.53 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1v9j h GLU 37 CO 0.10 0.57 -0.48 -0.22 -1.16 0.00 0.00 179.01 177.81 1v9j h LYS 38 N 0.88 -1.31 -0.10 2.33 3.64 -1.34 0.56 116.57 121.24 1v9j h LYS 38 Ca 0.26 0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1v9j h LYS 38 Cb -0.03 0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1v9j h LYS 38 CO -0.06 -0.87 -0.28 -0.07 -2.27 0.00 0.00 179.45 175.90 1v9j h LEU 39 N -1.37 0.18 -0.22 5.20 3.38 -1.28 0.17 115.31 121.37 1v9j h LEU 39 Ca -0.14 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1v9j h LEU 39 Cb 1.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1v9j h LEU 39 CO 0.23 0.46 -0.23 -0.09 0.09 0.00 0.00 178.44 178.90 1v9j h ARG 40 N 0.16 0.55 -0.02 1.13 2.43 -0.15 -1.59 114.38 116.88 1v9j h ARG 40 Ca 0.02 -0.29 -0.22 0.00 -0.81 0.00 0.00 59.98 58.68 1v9j h ARG 40 Cb 0.58 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1v9j h ARG 40 CO 0.04 0.88 -0.83 1.96 -1.51 0.00 0.00 179.97 180.51 1v9j h GLN 41 N 0.23 0.61 0.14 0.20 1.08 0.29 0.83 115.11 118.50 1v9j h GLN 41 Ca 0.03 -0.62 -0.00 0.00 -1.45 0.00 0.00 58.65 56.61 1v9j h GLN 41 Cb 0.79 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1v9j h GLN 41 CO 0.06 1.23 -0.08 0.22 -0.95 0.00 0.00 178.83 179.30 1v9j h ASP 42 N 0.23 -0.20 1.44 1.46 3.58 -0.72 -2.93 116.42 119.28 1v9j h ASP 42 Ca -0.10 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1v9j h ASP 42 Cb 1.50 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.61 1v9j h ASP 42 CO 0.16 -0.14 -0.57 -0.07 -2.88 0.00 0.00 179.24 175.75 1v9j h LEU 43 N -0.22 0.00 -1.03 2.28 3.38 -1.38 -3.48 115.31 114.86 1v9j h LEU 43 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.61 1v9j h LEU 43 Cb 0.18 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.06 1v9j h LEU 43 CO 0.02 0.02 -0.62 -0.62 0.09 0.00 0.00 178.44 177.32 1v9j n GLU 44 N -2.87 -6.91 -0.27 1.13 1.02 0.28 -4.79 120.64 108.23 1v9j n GLU 44 Ca 0.02 0.74 -0.24 0.00 -0.02 0.00 0.00 57.16 57.66 1v9j n GLU 44 Cb 0.55 -5.52 0.23 0.00 -0.02 0.00 0.00 31.44 26.68 1v9j n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v9j n ALA 45 N -4.56 -3.97 -0.11 0.62 0.00 -0.94 -4.93 120.51 106.63 1v9j n ALA 45 Ca -0.04 -1.23 -0.18 0.00 0.00 0.00 0.00 53.44 51.98 1v9j n ALA 45 Cb 0.57 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1v9j n ALA 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v9j n GLU 46 N -4.92 0.54 -4.11 0.00 1.02 -0.59 -4.98 120.64 107.61 1v9j n GLU 46 Ca 0.11 0.35 -0.19 0.00 -0.02 0.00 0.00 57.16 57.41 1v9j n GLU 46 Cb 0.48 -1.56 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 1v9j n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1v9j s HIS 47 N -2.55 0.66 0.19 -0.32 2.46 -1.16 -5.03 115.29 109.53 1v9j s HIS 47 Ca -0.30 -0.16 0.07 0.00 0.47 0.00 0.00 55.06 55.13 1v9j s HIS 47 Cb 0.08 -0.61 -0.05 0.00 -0.13 0.00 0.00 32.58 31.87 1v9j s HIS 47 CO 0.45 -0.18 -0.13 0.14 -2.47 0.00 0.00 174.74 172.55 1v9j s VAL 48 N 0.96 1.56 -0.13 0.89 -7.23 -1.26 -2.14 120.40 113.04 1v9j s VAL 48 Ca -0.11 -2.16 -0.06 0.00 -1.81 0.00 0.00 61.98 57.84 1v9j s VAL 48 Cb -0.14 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 34.86 1v9j s VAL 48 CO -0.00 -0.63 0.29 -0.70 -0.31 0.00 0.00 175.10 173.74 1v9j s GLU 49 N -3.68 0.23 0.03 4.82 2.12 -0.67 -4.93 118.70 116.63 1v9j s GLU 49 Ca 0.21 0.65 0.08 0.00 0.36 0.00 0.00 54.97 56.27 1v9j s GLU 49 Cb 0.00 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 1v9j s GLU 49 CO 0.05 -0.19 -0.23 0.54 -0.54 0.00 0.00 175.26 174.89 1v9j s VAL 50 N 1.60 1.85 0.27 3.70 0.11 -1.26 0.10 120.40 126.76 1v9j s VAL 50 Ca -0.07 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 57.79 1v9j s VAL 50 Cb -0.10 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1v9j s VAL 50 CO -0.10 0.31 0.19 -1.83 -3.33 0.00 0.00 175.10 170.34 1v9j s GLU 51 N -1.08 1.47 -0.07 1.54 -1.05 -0.79 -4.98 118.70 113.73 1v9j s GLU 51 Ca 0.09 -1.82 -0.14 0.00 -0.15 0.00 0.00 54.97 52.95 1v9j s GLU 51 Cb -0.09 0.22 0.03 0.00 -0.44 0.00 0.00 34.13 33.84 1v9j s GLU 51 CO 0.01 -0.49 0.34 0.34 0.95 0.00 0.00 175.26 176.41 1v9j s ASP 52 N -3.28 -0.29 -0.47 0.83 2.15 -1.26 -2.56 116.67 111.79 1v9j s ASP 52 Ca 0.39 0.39 0.03 0.00 0.43 0.00 0.00 52.55 53.80 1v9j s ASP 52 Cb 0.05 0.51 0.51 0.00 -0.30 0.00 0.00 42.92 43.69 1v9j s ASP 52 CO 0.19 -0.30 1.74 0.35 -0.17 0.00 0.00 175.17 176.97 1v9j n THR 53 N 2.00 3.12 -4.40 1.71 -2.24 -1.25 -4.95 114.28 108.27 1v9j n THR 53 Ca -0.18 -2.90 -0.19 0.00 -2.27 0.00 0.00 64.05 58.51 1v9j n THR 53 Cb 0.57 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.83 1v9j n THR 53 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1v9j s THR 54 N -4.11 0.83 -0.13 4.28 2.01 -1.26 -4.86 115.64 112.40 1v9j s THR 54 Ca 0.56 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1v9j s THR 54 Cb 0.46 -0.72 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 1v9j s THR 54 CO 0.03 0.16 -0.17 0.18 -0.69 0.00 0.00 174.62 174.12 1v9j n LEU 55 N 2.61 0.96 -4.57 4.42 4.77 -1.26 -5.03 117.00 118.90 1v9j n LEU 55 Ca -0.15 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1v9j n LEU 55 Cb 0.56 -0.40 0.23 0.00 -2.33 0.00 0.00 43.42 41.48 1v9j n LEU 55 CO 0.24 0.27 0.58 0.20 -1.33 0.00 0.00 177.39 177.35 1v9j s ASN 56 N -6.21 1.30 -1.16 -1.43 -0.87 -1.26 -4.84 114.94 100.47 1v9j s ASN 56 Ca -0.19 1.01 -0.22 0.00 -1.57 0.00 0.00 52.86 51.88 1v9j s ASN 56 Cb 0.07 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.25 39.71 1v9j s ASN 56 CO 0.24 -3.93 1.91 -0.13 -2.57 0.00 0.00 177.10 172.61 1v9j s ARG 57 N -5.03 2.67 0.12 -0.60 3.00 -1.26 -4.80 118.95 113.05 1v9j s ARG 57 Ca 0.68 -1.15 -0.26 0.00 0.00 0.00 0.00 55.73 55.00 1v9j s ARG 57 Cb -0.16 -5.26 0.08 0.00 0.00 0.00 0.00 34.95 29.61 1v9j s ARG 57 CO 0.58 -3.72 1.04 0.00 0.00 0.00 0.00 175.30 173.21 1v9j s ALA 59 N -2.93 0.98 0.00 0.00 0.00 -1.26 -4.86 121.76 113.68 1v9j s ALA 59 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1v9j s ALA 59 Cb -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1v9j s ALA 59 CO 0.01 -0.70 0.00 2.41 0.00 0.00 0.00 175.76 177.48 1v9j n THR 60 N 5.06 0.00 -4.44 0.00 -1.04 -1.26 -4.68 114.28 107.92 1v9j n THR 60 Ca -0.09 0.21 -0.23 0.00 -2.04 0.00 0.00 64.05 61.90 1v9j n THR 60 Cb 0.49 -1.21 -0.10 0.00 -1.82 0.00 0.00 70.33 67.69 1v9j n THR 60 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1v9j s SER 61 N -4.52 3.34 -0.02 8.00 1.04 -1.26 -1.80 113.70 118.48 1v9j s SER 61 Ca 0.00 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 55.27 1v9j s SER 61 Cb 0.00 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 65.89 1v9j s SER 61 CO 0.00 0.01 0.33 -0.36 0.98 0.00 0.00 173.24 174.19 1v9j s PHE 62 N -2.49 -0.21 -0.01 5.02 0.08 0.22 -3.84 117.98 116.74 1v9j s PHE 62 Ca 0.27 0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.68 1v9j s PHE 62 Cb -0.05 0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.51 1v9j s PHE 62 CO 0.13 -0.39 -0.12 1.03 -0.10 0.00 0.00 175.22 175.77 1v9j s ARG 63 N -1.26 0.99 -0.04 0.44 0.52 -1.06 -1.75 118.95 116.79 1v9j s ARG 63 Ca -0.13 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1v9j s ARG 63 Cb -0.05 -0.95 0.01 0.00 0.52 0.00 0.00 34.95 34.48 1v9j s ARG 63 CO 0.04 0.24 -0.11 0.14 0.02 0.00 0.00 175.30 175.64 1v9j s VAL 64 N -0.22 0.96 -0.07 3.52 -7.23 -0.60 -1.89 120.40 114.87 1v9j s VAL 64 Ca 0.04 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1v9j s VAL 64 Cb -0.05 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 1v9j s VAL 64 CO -0.00 0.30 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.71 1v9j s LEU 65 N 0.45 2.62 -0.04 1.32 1.98 0.28 -2.76 118.68 122.53 1v9j s LEU 65 Ca -0.09 -0.27 -0.03 0.00 -2.89 0.00 0.00 54.13 50.85 1v9j s LEU 65 Cb -0.12 -1.53 0.02 0.00 0.66 0.00 0.00 46.19 45.21 1v9j s LEU 65 CO 0.02 0.30 0.11 -0.69 -1.89 0.00 0.00 176.35 174.19 1v9j s VAL 66 N -0.44 -0.02 -0.08 1.68 1.01 -1.13 -1.67 120.40 119.75 1v9j s VAL 66 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1v9j s VAL 66 Cb -0.12 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.13 1v9j s VAL 66 CO 0.02 0.03 0.14 -0.69 0.00 0.00 0.00 175.10 174.60 1v9j s VAL 67 N 0.46 -0.23 -0.04 2.92 1.01 -0.91 -2.88 120.40 120.72 1v9j s VAL 67 Ca -0.03 0.37 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 1v9j s VAL 67 Cb -0.05 -0.27 0.08 0.00 0.00 0.00 0.00 36.38 36.14 1v9j s VAL 67 CO -0.02 0.15 1.07 -0.24 0.00 0.00 0.00 175.10 176.07 1v9j n SER 68 N 5.32 -0.92 0.06 3.32 2.88 -1.11 -1.54 113.62 121.63 1v9j n SER 68 Ca -0.04 -1.13 0.12 0.00 -1.33 0.00 0.00 58.87 56.48 1v9j n SER 68 Cb 0.50 1.42 0.11 0.00 -0.75 0.00 0.00 64.21 65.48 1v9j n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v9j n ALA 69 N -1.33 2.98 -0.25 -1.46 0.00 -1.26 -4.09 120.51 115.09 1v9j n ALA 69 Ca -0.09 -0.29 0.17 0.00 0.00 0.00 0.00 53.44 53.23 1v9j n ALA 69 Cb 0.47 -1.11 0.46 0.00 0.00 0.00 0.00 19.45 19.27 1v9j n ALA 69 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1v9j h LYS 70 N 0.00 0.49 -0.00 0.00 1.63 -1.92 0.18 116.57 116.95 1v9j h LYS 70 Ca 0.00 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 1v9j h LYS 70 Cb 0.78 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1v9j h LYS 70 CO 0.00 0.33 -0.76 0.74 -3.45 0.00 0.00 179.45 176.30 1v9j h PHE 71 N 0.51 0.04 -0.14 1.91 0.04 -1.91 -3.14 116.94 114.26 1v9j h PHE 71 Ca 0.47 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.22 1v9j h PHE 71 Cb 1.02 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1v9j h PHE 71 CO -0.00 0.78 0.09 0.93 -0.60 0.00 0.00 178.31 179.51 1v9j h GLU 72 N 0.02 0.18 -0.00 1.51 4.39 -0.85 -1.51 114.58 118.31 1v9j h GLU 72 Ca -0.01 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1v9j h GLU 72 Cb 1.35 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1v9j h GLU 72 CO 0.10 0.12 -0.27 0.78 -1.16 0.00 0.00 179.01 178.58 1v9j h GLY 73 N 0.19 0.00 -3.50 -3.84 0.00 -1.46 -3.43 103.07 91.03 1v9j h GLY 73 Ca 0.05 -0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.77 1v9j h GLY 73 CO -0.01 0.00 -0.68 0.54 0.00 0.00 0.00 176.54 176.39 1v9j s LYS 74 N -4.43 2.28 1.16 4.80 1.02 -0.57 -5.13 119.74 118.88 1v9j s LYS 74 Ca -0.03 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 54.63 1v9j s LYS 74 Cb 0.15 -2.28 0.27 0.00 -0.52 0.00 0.00 37.83 35.44 1v9j s LYS 74 CO 0.71 0.45 1.06 -1.25 -0.92 0.00 0.00 175.35 175.39 1v9j s PRO 75 N -2.92 -0.85 0.21 -1.68 0.04 -1.26 -4.73 135.00 123.81 1v9j s PRO 75 Ca 0.27 0.38 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 1v9j s PRO 75 Cb -0.09 -1.60 0.20 0.00 0.04 0.00 0.00 34.50 33.05 1v9j s PRO 75 CO 0.17 -3.56 1.84 1.25 0.04 0.00 0.00 177.00 176.74 1v9j h LEU 76 N -2.49 0.70 -1.72 -3.56 5.85 -1.98 -1.33 115.31 110.79 1v9j h LEU 76 Ca -0.53 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1v9j h LEU 76 Cb 1.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1v9j h LEU 76 CO 0.46 0.48 0.22 0.17 -0.34 0.00 0.00 178.44 179.44 1v9j h LEU 77 N 0.84 0.33 -0.19 2.25 8.10 -2.00 -1.82 115.31 122.81 1v9j h LEU 77 Ca 0.28 -0.01 -0.22 0.00 0.11 0.00 0.00 57.88 58.04 1v9j h LEU 77 Cb 0.04 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.19 1v9j h LEU 77 CO -0.12 0.23 -0.89 -0.61 -4.11 0.00 0.00 178.44 172.95 1v9j h GLN 78 N 0.38 0.52 -0.67 0.17 5.75 -1.62 -1.85 115.11 117.80 1v9j h GLN 78 Ca 0.13 -0.51 0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1v9j h GLN 78 Cb 0.06 0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1v9j h GLN 78 CO -0.03 1.14 0.43 0.00 -2.65 0.00 0.00 178.83 177.73 1v9j h ARG 79 N 0.32 0.85 -0.01 1.69 3.08 -0.46 0.43 114.38 120.29 1v9j h ARG 79 Ca -0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1v9j h ARG 79 Cb 1.51 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1v9j h ARG 79 CO 0.16 0.56 -0.07 0.45 -1.07 0.00 0.00 179.97 180.00 1v9j h HIS 80 N 0.87 0.08 -0.41 3.04 3.86 -1.50 -3.07 115.15 118.02 1v9j h HIS 80 Ca 0.25 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1v9j h HIS 80 Cb -0.06 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1v9j h HIS 80 CO -0.03 0.79 0.25 -0.09 0.86 0.00 0.00 177.93 179.70 1v9j h ARG 81 N -0.65 0.54 0.52 2.45 2.43 -1.24 -1.76 114.38 116.67 1v9j h ARG 81 Ca -0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1v9j h ARG 81 Cb 0.81 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1v9j h ARG 81 CO 0.01 0.38 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.53 1v9j h LEU 82 N 0.56 -0.60 -1.70 3.80 3.38 -0.18 0.41 115.31 120.97 1v9j h LEU 82 Ca 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1v9j h LEU 82 Cb -0.03 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1v9j h LEU 82 CO -0.03 -0.37 0.15 0.58 0.09 0.00 0.00 178.44 178.86 1v9j h VAL 83 N -0.79 1.08 -0.30 1.22 2.07 -1.41 -1.87 116.25 116.26 1v9j h VAL 83 Ca -0.07 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1v9j h VAL 83 Cb 0.58 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1v9j h VAL 83 CO 0.12 0.08 -0.37 0.78 0.02 0.00 0.00 177.57 178.20 1v9j h ASN 84 N 0.35 0.84 -0.19 0.57 2.35 -1.07 -3.02 115.58 115.42 1v9j h ASN 84 Ca 0.09 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.28 1v9j h ASN 84 Cb -0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1v9j h ASN 84 CO -0.02 1.17 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.52 1v9j h GLU 85 N 0.53 0.54 1.01 0.81 5.08 -0.32 0.40 114.58 122.62 1v9j h GLU 85 Ca 0.04 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1v9j h GLU 85 Cb 0.96 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1v9j h GLU 85 CO 0.09 0.62 -0.48 0.00 -1.00 0.00 0.00 179.01 178.24 1v9j n LEU 87 N -5.66 7.53 -0.22 0.00 4.77 -1.15 -4.60 117.00 117.67 1v9j n LEU 87 Ca -0.17 -4.15 -0.04 0.00 -0.03 0.00 0.00 56.01 51.62 1v9j n LEU 87 Cb 0.53 -0.95 0.13 0.00 -2.33 0.00 0.00 43.42 40.80 1v9j n LEU 87 CO 0.41 1.39 1.02 0.00 -1.33 0.00 0.00 177.39 178.87 1v9j h ALA 88 N 1.80 1.13 -0.04 -1.18 0.00 -0.83 0.79 119.26 120.94 1v9j h ALA 88 Ca 0.62 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 55.13 1v9j h ALA 88 Cb 1.22 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1v9j h ALA 88 CO 1.50 0.61 -0.76 0.93 0.00 0.00 0.00 179.25 181.53 1v9j h GLU 89 N 1.00 0.58 0.00 0.00 5.08 -1.84 -3.28 114.58 116.11 1v9j h GLU 89 Ca 0.23 -0.57 -0.16 0.00 -1.00 0.00 0.00 59.36 57.85 1v9j h GLU 89 Cb 0.24 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1v9j h GLU 89 CO -0.01 1.19 -0.76 0.93 -1.00 0.00 0.00 179.01 179.36 1v9j h GLU 90 N 0.19 0.00 -0.39 2.33 3.07 -1.86 -3.34 114.58 114.57 1v9j h GLU 90 Ca -0.08 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.83 1v9j h GLU 90 Cb 1.43 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.25 1v9j h GLU 90 CO 0.15 0.76 -0.50 -0.07 -1.40 0.00 0.00 179.01 177.96 1v9j h LEU 91 N 0.00 -1.66 -1.64 1.33 3.38 0.55 0.27 115.31 117.54 1v9j h LEU 91 Ca -0.01 0.23 0.40 0.00 0.09 0.00 0.00 57.88 58.59 1v9j h LEU 91 Cb 1.35 0.70 -0.09 0.00 0.09 0.00 0.00 40.66 42.71 1v9j h LEU 91 CO 0.10 -0.39 0.90 -0.65 0.09 0.00 0.00 178.44 178.49 1v9j h PRO 92 N -0.38 0.12 -0.00 1.13 0.11 -1.70 0.98 132.00 132.25 1v9j h PRO 92 Ca 0.10 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 1v9j h PRO 92 Cb 0.60 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1v9j h PRO 92 CO -0.58 0.08 -0.76 0.45 -0.21 0.00 0.00 178.00 176.98 1v9j h HIS 93 N 0.12 0.05 -3.17 0.65 3.86 -1.15 -3.44 115.15 112.07 1v9j h HIS 93 Ca 0.72 -0.03 -0.54 0.00 -1.16 0.00 0.00 60.37 59.36 1v9j h HIS 93 Cb 2.45 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.90 1v9j h HIS 93 CO -0.00 0.78 0.60 0.42 0.86 0.00 0.00 177.93 180.58 1v9j s ILE 94 N -3.31 4.23 0.17 2.45 -1.09 0.34 -4.93 121.20 119.05 1v9j s ILE 94 Ca -0.01 1.58 -0.00 0.00 -2.23 0.00 0.00 60.65 59.99 1v9j s ILE 94 Cb 0.12 -4.02 -0.13 0.00 -1.58 0.00 0.00 42.46 36.85 1v9j s ILE 94 CO 0.79 0.07 1.39 -0.74 -1.23 0.00 0.00 174.94 175.22 1v9j h HIS 95 N 7.08 0.44 -2.38 3.97 2.76 -1.61 -3.44 115.15 121.98 1v9j h HIS 95 Ca -0.38 -0.22 -0.13 0.00 -2.20 0.00 0.00 60.37 57.43 1v9j h HIS 95 Cb 1.19 -0.06 -0.29 0.00 1.55 0.00 0.00 27.41 29.81 1v9j h HIS 95 CO 0.70 1.00 -0.43 0.00 -1.30 0.00 0.00 177.93 177.90 1v9j s ALA 96 N -3.39 -1.04 -0.05 5.26 0.00 -0.89 -4.98 121.76 116.67 1v9j s ALA 96 Ca -0.04 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.21 1v9j s ALA 96 Cb 0.10 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1v9j s ALA 96 CO 0.84 -0.90 -0.24 0.12 0.00 0.00 0.00 175.76 175.58 1v9j s PHE 97 N 2.56 2.33 -0.03 0.00 2.19 -1.26 -0.61 117.98 123.17 1v9j s PHE 97 Ca 0.03 -0.64 -0.00 0.00 0.33 0.00 0.00 56.93 56.65 1v9j s PHE 97 Cb -0.13 -1.53 0.03 0.00 -1.31 0.00 0.00 43.02 40.08 1v9j s PHE 97 CO -0.13 -0.18 0.02 -2.00 1.83 0.00 0.00 175.22 174.76 1v9j s GLU 98 N -0.24 0.16 0.14 10.12 2.56 -0.72 -4.99 118.70 125.73 1v9j s GLU 98 Ca -0.01 0.16 0.05 0.00 0.00 0.00 0.00 54.97 55.17 1v9j s GLU 98 Cb -0.13 -0.45 -0.04 0.00 2.00 0.00 0.00 34.13 35.52 1v9j s GLU 98 CO 0.03 -0.19 -0.11 1.14 -0.56 0.00 0.00 175.26 175.57 1v9j s GLN 99 N 1.27 1.05 -0.10 4.30 1.03 -1.26 -1.56 119.66 124.40 1v9j s GLN 99 Ca -0.06 -1.38 -0.04 0.00 0.04 0.00 0.00 55.36 53.92 1v9j s GLN 99 Cb -0.13 -0.73 0.05 0.00 0.03 0.00 0.00 33.01 32.24 1v9j s GLN 99 CO -0.03 0.11 0.20 0.21 -2.54 0.00 0.00 175.29 173.24 1v9j s LYS 100 N -3.38 0.07 -0.13 9.60 2.20 -1.11 -4.99 119.74 122.01 1v9j s LYS 100 Ca 0.14 0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1v9j s LYS 100 Cb -0.00 -0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.10 1v9j s LYS 100 CO 0.02 -0.30 -0.03 0.95 -0.36 0.00 0.00 175.35 175.62 1v9j s THR 101 N 2.33 3.95 0.15 3.43 -4.23 -1.26 -2.85 115.64 117.15 1v9j s THR 101 Ca 0.02 -0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 60.09 1v9j s THR 101 Cb -0.12 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 1v9j s THR 101 CO -0.07 0.53 0.26 -0.76 -0.54 0.00 0.00 174.62 174.05 1v9j s LEU 102 N -0.10 1.04 0.35 4.79 1.43 -1.14 -5.06 118.68 119.99 1v9j s LEU 102 Ca 0.02 -0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 1v9j s LEU 102 Cb -0.13 1.15 -0.06 0.00 0.03 0.00 0.00 46.19 47.18 1v9j s LEU 102 CO 0.02 -0.87 0.67 0.42 0.23 0.00 0.00 176.35 176.83 1v9j s THR 103 N -3.96 4.89 0.17 5.49 -4.23 -1.26 -2.76 115.64 113.98 1v9j s THR 103 Ca 0.16 0.38 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 1v9j s THR 103 Cb 0.04 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.22 1v9j s THR 103 CO -0.01 -0.43 1.69 -0.65 -0.54 0.00 0.00 174.62 174.68 1v9j h PRO 104 N 1.46 0.09 -0.42 3.99 0.11 -1.88 -0.64 132.00 134.71 1v9j h PRO 104 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1v9j h PRO 104 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1v9j h PRO 104 CO 0.65 0.06 0.28 1.49 -0.21 0.00 0.00 178.00 180.27 1v9j h GLU 105 N 0.09 0.52 -0.25 1.05 4.22 -1.96 0.45 114.58 118.71 1v9j h GLU 105 Ca 0.20 -0.03 -0.12 0.00 0.08 0.00 0.00 59.36 59.48 1v9j h GLU 105 Cb 0.28 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1v9j h GLU 105 CO -0.33 0.34 -0.33 1.96 -2.18 0.00 0.00 179.01 178.47 1v9j h GLN 106 N 0.53 0.66 -0.06 1.92 1.08 -1.58 -2.25 115.11 115.41 1v9j h GLN 106 Ca 0.16 -0.38 -0.09 0.00 -1.45 0.00 0.00 58.65 56.89 1v9j h GLN 106 Cb 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1v9j h GLN 106 CO -0.04 0.99 -0.31 2.35 -0.95 0.00 0.00 178.83 180.88 1v9j h TRP 107 N 0.38 0.42 -0.24 2.96 2.91 -0.58 -3.19 115.95 118.61 1v9j h TRP 107 Ca 0.03 -0.19 0.04 0.00 1.13 0.00 0.00 58.89 59.90 1v9j h TRP 107 Cb 0.91 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 1v9j h TRP 107 CO 0.08 0.93 0.17 1.15 -1.03 0.00 0.00 178.44 179.74 1v9j h THR 108 N -0.20 0.95 0.00 2.65 2.02 -0.19 -0.14 112.91 118.00 1v9j h THR 108 Ca -0.02 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1v9j h THR 108 Cb 0.97 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1v9j h THR 108 CO 0.06 0.03 -0.30 0.03 0.37 0.00 0.00 175.52 175.71 1v9j h ARG 109 N 0.14 0.00 -1.53 6.66 2.47 -1.39 -3.00 114.38 117.74 1v9j h ARG 109 Ca 0.11 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.28 1v9j h ARG 109 Cb 0.25 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.35 1v9j h ARG 109 CO -0.02 0.30 0.67 0.94 0.56 0.00 0.00 179.97 182.42 1v9j n GLN 110 N -3.79 2.36 -2.40 0.04 7.27 -0.06 -4.22 117.38 116.58 1v9j n GLN 110 Ca -0.01 -2.60 0.01 0.00 0.07 0.00 0.00 57.00 54.47 1v9j n GLN 110 Cb 0.39 -2.05 0.04 0.00 2.41 0.00 0.00 30.24 31.03 1v9j n GLN 110 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1v9j n ARG 111 N -0.10 1.17 -1.95 3.69 1.74 -1.13 -5.05 116.66 115.03 1v9j n ARG 111 Ca 0.48 -2.90 -0.41 0.00 -0.77 0.00 0.00 57.85 54.26 1v9j n ARG 111 Cb 0.54 -0.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 1v9j n ARG 111 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1v9j s ARG 112 N -2.42 4.23 0.00 5.56 0.52 -1.26 -5.11 118.95 120.47 1v9j s ARG 112 Ca 0.27 2.39 0.30 0.00 -0.52 0.00 0.00 55.73 58.17 1v9j s ARG 112 Cb 0.34 -3.06 1.54 0.00 0.52 0.00 0.00 34.95 34.28 1v9j s ARG 112 CO -0.08 -0.44 2.02 0.39 0.02 0.00 0.00 175.30 177.20