#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 1.40 -0.08 2.12 1.02 -1.26 -5.14 119.74 117.80 1v9j s LYS 2 Ca 0.00 -1.40 -0.03 0.00 0.02 0.00 0.00 55.97 54.55 1v9j s LYS 2 Cb 0.00 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1v9j s LYS 2 CO 0.00 0.39 0.15 0.20 -0.92 0.00 0.00 175.35 175.17 1v9j s GLY 3 N -2.36 0.07 -0.12 -3.33 0.00 -1.26 -5.04 107.32 95.28 1v9j s GLY 3 Ca 0.16 0.50 -0.13 0.00 0.00 0.00 0.00 44.72 45.25 1v9j s GLY 3 CO 0.07 1.66 -0.26 1.44 0.00 0.00 0.00 173.10 176.01 1v9j n SER 4 N 5.32 1.70 -3.46 1.64 7.64 -1.26 -5.07 113.62 120.14 1v9j n SER 4 Ca -0.04 0.28 0.01 0.00 1.01 0.00 0.00 58.87 60.12 1v9j n SER 4 Cb 0.50 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 1v9j n SER 4 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v9j s SER 5 N -6.01 -0.67 -0.88 6.43 0.15 -1.26 -5.10 113.70 106.37 1v9j s SER 5 Ca -0.22 0.93 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1v9j s SER 5 Cb 0.04 1.72 0.21 0.00 -1.71 0.00 0.00 66.02 66.28 1v9j s SER 5 CO 0.32 -0.13 0.75 1.41 1.20 0.00 0.00 173.24 176.79 1v9j n HIS 6 N 4.95 4.10 0.06 3.44 8.25 -1.26 -4.84 115.22 129.91 1v9j n HIS 6 Ca -0.10 -4.16 -0.13 0.00 -0.26 0.00 0.00 57.72 53.07 1v9j n HIS 6 Cb 0.52 -1.07 -0.14 0.00 1.12 0.00 0.00 29.99 30.43 1v9j n HIS 6 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1v9j h HIS 7 N 5.88 0.29 -5.00 4.41 3.86 -2.07 -3.50 115.15 119.02 1v9j h HIS 7 Ca 0.16 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1v9j h HIS 7 Cb 0.80 -0.01 -0.11 0.00 1.06 0.00 0.00 27.41 29.15 1v9j h HIS 7 CO 0.71 1.22 -1.50 1.58 0.86 0.00 0.00 177.93 180.81 1v9j n HIS 8 N -3.39 -4.41 -3.16 2.45 -0.00 -1.26 -5.06 115.22 100.39 1v9j n HIS 8 Ca -0.11 2.46 0.03 0.00 0.46 0.00 0.00 57.72 60.57 1v9j n HIS 8 Cb 1.02 -3.95 -0.00 0.00 -0.12 0.00 0.00 29.99 26.93 1v9j n HIS 8 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1v9j s HIS 9 N -0.84 -1.77 0.07 1.57 5.04 -1.26 -5.16 115.29 112.93 1v9j s HIS 9 Ca -0.24 0.85 0.01 0.00 -1.54 0.00 0.00 55.06 54.14 1v9j s HIS 9 Cb 0.02 0.31 -0.00 0.00 0.04 0.00 0.00 32.58 32.94 1v9j s HIS 9 CO 0.79 -1.07 0.03 1.58 -2.34 0.00 0.00 174.74 173.74 1v9j n HIS 10 N 5.15 -0.01 0.00 3.88 -0.00 -1.26 -5.08 115.22 117.89 1v9j n HIS 10 Ca 0.07 -0.48 0.00 0.00 0.46 0.00 0.00 57.72 57.76 1v9j n HIS 10 Cb 0.55 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 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 -0.16 -1.94 -3.10 1.57 8.25 -1.26 -5.04 115.22 113.55 1v9j n HIS 11 Ca -0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1v9j n HIS 11 Cb 0.11 0.39 0.04 0.00 1.12 0.00 0.00 29.99 31.65 1v9j n HIS 11 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1v9j n SER 12 N -2.34 -6.07 -4.03 0.41 7.64 -1.26 -5.00 113.62 102.97 1v9j n SER 12 Ca 0.00 -0.32 -0.21 0.00 1.01 0.00 0.00 58.87 59.35 1v9j n SER 12 Cb 0.00 -4.85 -0.15 0.00 -1.01 0.00 0.00 64.21 58.20 1v9j n SER 12 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v9j s SER 13 N -2.83 1.34 0.00 6.43 0.01 -1.26 -4.70 113.70 112.69 1v9j s SER 13 Ca 0.35 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1v9j s SER 13 Cb -0.15 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1v9j s SER 13 CO 0.43 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1v9j n GLY 14 N 3.10 0.05 2.18 3.44 0.00 -0.61 -4.93 105.19 108.42 1v9j n GLY 14 Ca -0.17 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1v9j n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9j n ALA 15 N -3.00 5.69 0.00 4.61 0.00 -1.26 -4.37 120.51 122.18 1v9j n ALA 15 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1v9j n ALA 15 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1v9j n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1v9j n SER 16 N -0.88 0.00 -4.36 0.00 3.41 -1.26 -5.13 113.62 105.40 1v9j n SER 16 Ca 0.56 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.86 1v9j n SER 16 Cb 1.18 0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 65.22 1v9j n SER 16 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1v9j s LEU 17 N -4.31 2.25 0.07 1.04 1.02 -1.26 -5.14 118.68 112.35 1v9j s LEU 17 Ca 0.00 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.71 1v9j s LEU 17 Cb 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 46.19 44.82 1v9j s LEU 17 CO 0.00 0.28 -0.15 0.68 0.02 0.00 0.00 176.35 177.19 1v9j s VAL 18 N -0.76 1.18 0.00 -1.59 -7.23 -1.26 -1.57 120.40 109.17 1v9j s VAL 18 Ca 0.12 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 1v9j s VAL 18 Cb -0.10 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.71 1v9j s VAL 18 CO 0.01 -0.21 0.00 -0.81 -0.31 0.00 0.00 175.10 173.79 1v9j n PRO 19 N 1.25 -0.62 -2.17 4.82 -0.04 -1.26 -4.84 135.00 132.15 1v9j n PRO 19 Ca -0.21 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 1v9j n PRO 19 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 1v9j n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1v9j s ARG 20 N -2.42 2.79 0.00 0.54 3.52 -1.26 -4.77 118.95 117.35 1v9j s ARG 20 Ca 0.00 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1v9j s ARG 20 Cb 0.00 -5.20 0.00 0.00 -1.56 0.00 0.00 34.95 28.19 1v9j s ARG 20 CO 0.00 -3.31 0.00 0.41 -0.81 0.00 0.00 175.30 171.59 1v9j n GLY 21 N 6.43 -2.22 0.15 8.12 0.00 -1.26 -4.95 105.19 111.46 1v9j n GLY 21 Ca 0.41 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 1v9j n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v9j n SER 22 N 2.27 0.41 -1.43 1.61 2.88 -1.26 -4.88 113.62 113.21 1v9j n SER 22 Ca 0.00 0.07 0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1v9j n SER 22 Cb 0.00 -0.49 0.06 0.00 -0.75 0.00 0.00 64.21 63.03 1v9j n SER 22 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1v9j n GLU 23 N -2.91 0.59 0.00 -1.46 2.13 -1.26 -5.05 120.64 112.68 1v9j n GLU 23 Ca -0.03 -2.47 0.00 0.00 0.66 0.00 0.00 57.16 55.32 1v9j n GLU 23 Cb 0.10 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.26 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 0.02 1.73 0.20 8.31 0.00 -1.26 -4.98 105.19 109.22 1v9j n GLY 24 Ca 0.10 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 -0.42 -3.00 4.61 0.00 -1.96 -3.46 119.26 115.03 1v9j h ALA 25 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1v9j h ALA 25 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1v9j h ALA 25 CO 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.80 1v9j n ALA 26 N -2.64 0.00 -1.54 0.00 0.00 -1.26 -2.95 120.51 112.13 1v9j n ALA 26 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1v9j n ALA 26 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 1v9j n ALA 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1v9j n THR 27 N -1.49 0.00 0.00 0.00 -1.04 -1.26 -4.00 114.28 106.49 1v9j n THR 27 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1v9j n THR 27 Cb 0.00 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 1v9j n THR 27 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1v9j n MET 28 N -2.27 0.00 -4.33 -2.82 2.00 -1.26 -5.10 117.12 103.34 1v9j n MET 28 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.23 1v9j n MET 28 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.74 1v9j n MET 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1v9j s GLU 29 N 0.00 1.74 0.02 0.03 8.01 -1.15 -4.96 118.70 122.38 1v9j s GLU 29 Ca 0.00 -1.27 -0.00 0.00 0.01 0.00 0.00 54.97 53.71 1v9j s GLU 29 Cb 0.00 -2.05 0.00 0.00 -4.31 0.00 0.00 34.13 27.77 1v9j s GLU 29 CO 0.00 0.46 0.00 1.28 0.01 0.00 0.00 175.26 177.01 1v9j n LEU 30 N 0.60 -6.70 -4.46 1.80 4.32 -1.26 -4.30 117.00 107.00 1v9j n LEU 30 Ca -0.15 2.88 -0.23 0.00 -0.02 0.00 0.00 56.01 58.50 1v9j n LEU 30 Cb 0.54 -3.28 -0.10 0.00 -1.62 0.00 0.00 43.42 38.95 1v9j n LEU 30 CO 0.29 -2.98 -0.37 -0.44 -1.22 0.00 0.00 177.39 172.67 1v9j s SER 31 N -0.61 3.03 0.04 -1.43 0.01 -1.26 -4.83 113.70 108.66 1v9j s SER 31 Ca -0.00 -1.19 -0.31 0.00 1.31 0.00 0.00 55.95 55.75 1v9j s SER 31 Cb 0.00 -0.22 -0.18 0.00 0.21 0.00 0.00 66.02 65.83 1v9j s SER 31 CO 0.01 -0.30 1.42 0.00 0.41 0.00 0.00 173.24 174.78 1v9j h ALA 32 N 2.21 -0.94 -0.05 1.44 0.00 -1.97 -2.47 119.26 117.48 1v9j h ALA 32 Ca -0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1v9j h ALA 32 Cb 1.24 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1v9j h ALA 32 CO 0.68 -0.96 -0.00 -0.44 0.00 0.00 0.00 179.25 178.52 1v9j h ASP 33 N -1.07 0.07 0.40 0.00 5.19 -1.97 -1.25 116.42 117.78 1v9j h ASP 33 Ca -0.10 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 1v9j h ASP 33 Cb 0.75 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1v9j h ASP 33 CO 0.16 0.08 -0.21 0.22 -3.12 0.00 0.00 179.24 176.38 1v9j h TYR 34 N 0.08 -0.54 -0.06 4.55 3.20 -1.93 0.56 116.97 122.83 1v9j h TYR 34 Ca 0.02 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1v9j h TYR 34 Cb 0.06 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1v9j h TYR 34 CO 0.00 -0.33 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.67 1v9j h LEU 35 N -0.56 0.14 0.08 2.82 3.38 -1.16 -1.54 115.31 118.48 1v9j h LEU 35 Ca -0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1v9j h LEU 35 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1v9j h LEU 35 CO 0.08 0.57 -0.04 -0.09 0.09 0.00 0.00 178.44 179.05 1v9j h ARG 36 N 0.11 -0.11 -0.46 1.13 2.43 -0.96 -2.71 114.38 113.81 1v9j h ARG 36 Ca 0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1v9j h ARG 36 Cb 0.84 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1v9j h ARG 36 CO 0.06 0.37 0.11 0.93 -1.51 0.00 0.00 179.97 179.94 1v9j h GLU 37 N -0.65 0.69 1.01 0.20 5.08 0.12 -0.21 114.58 120.83 1v9j h GLU 37 Ca -0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1v9j h GLU 37 Cb 0.53 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1v9j h GLU 37 CO 0.02 0.63 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.95 1v9j h LYS 38 N 0.67 -1.31 -0.06 2.33 3.64 -1.30 -1.63 116.57 118.91 1v9j h LYS 38 Ca 0.15 0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1v9j h LYS 38 Cb 0.25 0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1v9j h LYS 38 CO -0.00 -0.87 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.09 1v9j h LEU 39 N -1.36 0.09 0.46 5.20 3.38 -1.44 0.64 115.31 122.27 1v9j h LEU 39 Ca -0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1v9j h LEU 39 Cb 1.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1v9j h LEU 39 CO 0.23 0.25 -0.23 -0.09 0.09 0.00 0.00 178.44 178.68 1v9j h ARG 40 N 0.09 -0.61 0.00 1.13 1.12 -0.81 -1.60 114.38 113.70 1v9j h ARG 40 Ca 0.02 0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 58.77 1v9j h ARG 40 Cb 0.32 0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.39 1v9j h ARG 40 CO 0.02 -0.41 -0.76 -0.56 -3.11 0.00 0.00 179.97 175.15 1v9j h GLN 41 N -0.63 0.00 0.20 0.20 3.07 -1.16 0.87 115.11 117.65 1v9j h GLN 41 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 1v9j h GLN 41 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1v9j h GLN 41 CO 0.09 0.76 -0.16 0.22 0.09 0.00 0.00 178.83 179.84 1v9j h ASP 42 N 0.00 -0.41 0.04 0.06 1.82 -0.71 -3.15 116.42 114.08 1v9j h ASP 42 Ca -0.01 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1v9j h ASP 42 Cb 1.35 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.50 1v9j h ASP 42 CO 0.10 -0.24 -1.13 0.18 -1.61 0.00 0.00 179.24 176.53 1v9j n LEU 43 N -5.28 0.80 -3.00 2.28 4.77 -0.62 -5.02 117.00 110.94 1v9j n LEU 43 Ca -0.08 -0.38 -0.07 0.00 -0.03 0.00 0.00 56.01 55.45 1v9j n LEU 43 Cb 0.20 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1v9j n LEU 43 CO 0.32 0.20 0.18 -0.62 -1.33 0.00 0.00 177.39 176.13 1v9j n GLU 44 N -1.64 -1.61 -2.13 3.23 1.02 0.30 -4.78 120.64 115.03 1v9j n GLU 44 Ca 0.03 1.11 -0.27 0.00 -0.02 0.00 0.00 57.16 58.01 1v9j n GLU 44 Cb 0.37 -5.42 0.07 0.00 -0.02 0.00 0.00 31.44 26.44 1v9j n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v9j s ALA 45 N -3.17 3.04 -0.12 0.62 0.00 -0.80 -4.83 121.76 116.50 1v9j s ALA 45 Ca 0.20 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1v9j s ALA 45 Cb -0.03 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1v9j s ALA 45 CO 0.68 -1.31 -0.10 0.93 0.00 0.00 0.00 175.76 175.95 1v9j h GLU 46 N -0.66 0.00 -5.03 0.00 5.08 -1.73 -3.48 114.58 108.77 1v9j h GLU 46 Ca -0.45 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.32 1v9j h GLU 46 Cb 1.31 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.23 1v9j h GLU 46 CO 0.62 0.00 -0.84 -1.01 -1.00 0.00 0.00 179.01 176.78 1v9j s HIS 47 N -1.91 1.92 0.01 4.33 3.76 -1.17 -5.03 115.29 117.19 1v9j s HIS 47 Ca -0.08 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.13 1v9j s HIS 47 Cb 0.01 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 1v9j s HIS 47 CO 0.12 -0.30 -0.05 0.14 -0.85 0.00 0.00 174.74 173.81 1v9j s VAL 48 N 0.39 0.34 -0.03 -0.90 -7.23 -1.26 -2.13 120.40 109.58 1v9j s VAL 48 Ca -0.13 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1v9j s VAL 48 Cb -0.16 -0.34 0.03 0.00 0.56 0.00 0.00 36.38 36.47 1v9j s VAL 48 CO 0.05 -0.10 0.01 -1.61 -0.31 0.00 0.00 175.10 173.14 1v9j s GLU 49 N -0.62 0.27 0.08 4.82 2.02 -0.72 -4.96 118.70 119.58 1v9j s GLU 49 Ca -0.03 0.11 0.08 0.00 0.02 0.00 0.00 54.97 55.14 1v9j s GLU 49 Cb -0.05 -0.50 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 1v9j s GLU 49 CO -0.00 -0.16 -0.18 0.54 0.02 0.00 0.00 175.26 175.48 1v9j s VAL 50 N 1.16 2.80 0.09 2.63 0.11 -1.26 -0.20 120.40 125.73 1v9j s VAL 50 Ca -0.08 -1.34 -0.00 0.00 -2.93 0.00 0.00 61.98 57.63 1v9j s VAL 50 Cb -0.13 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 1v9j s VAL 50 CO -0.02 0.22 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.26 1v9j s GLU 51 N -1.77 0.78 -0.06 1.54 2.56 0.03 -4.99 118.70 116.79 1v9j s GLU 51 Ca 0.16 -1.33 -0.14 0.00 0.00 0.00 0.00 54.97 53.66 1v9j s GLU 51 Cb -0.11 0.10 0.03 0.00 2.00 0.00 0.00 34.13 36.15 1v9j s GLU 51 CO 0.07 -0.14 0.34 0.34 -0.56 0.00 0.00 175.26 175.32 1v9j s ASP 52 N -3.00 -0.27 -0.15 -1.70 2.15 -1.26 -1.19 116.67 111.24 1v9j s ASP 52 Ca 0.14 0.34 -0.11 0.00 0.43 0.00 0.00 52.55 53.35 1v9j s ASP 52 Cb 0.07 0.47 -0.04 0.00 -0.30 0.00 0.00 42.92 43.12 1v9j s ASP 52 CO -0.05 -0.33 -0.18 0.35 -0.17 0.00 0.00 175.17 174.79 1v9j n THR 53 N 1.86 1.43 -4.05 1.71 -2.24 -1.22 -5.05 114.28 106.72 1v9j n THR 53 Ca -0.18 0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1v9j n THR 53 Cb 0.57 -2.36 -0.08 0.00 -2.10 0.00 0.00 70.33 66.35 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 -2.33 0.07 0.00 4.28 2.01 -1.26 -5.05 115.64 113.36 1v9j s THR 54 Ca -0.17 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.20 1v9j s THR 54 Cb 0.03 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1v9j s THR 54 CO 0.27 -0.33 0.00 0.18 -0.69 0.00 0.00 174.62 174.05 1v9j n LEU 55 N -0.18 0.71 -2.88 4.42 4.77 -1.26 -4.42 117.00 118.15 1v9j n LEU 55 Ca -0.06 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1v9j n LEU 55 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1v9j n LEU 55 CO 0.27 -0.01 2.08 -0.46 -1.33 0.00 0.00 177.39 177.94 1v9j n ASN 56 N -2.45 7.15 -3.93 -1.43 0.23 -1.26 -4.16 115.26 109.41 1v9j n ASN 56 Ca 0.00 -3.03 -0.10 0.00 -0.53 0.00 0.00 54.58 50.93 1v9j n ASN 56 Cb 0.27 -1.34 -0.06 0.00 -2.08 0.00 0.00 39.78 36.57 1v9j n ASN 56 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1v9j s ARG 57 N -0.77 1.24 0.09 -3.83 1.81 -1.26 -5.06 118.95 111.16 1v9j s ARG 57 Ca 0.59 -1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 53.27 1v9j s ARG 57 Cb 0.28 0.41 -0.09 0.00 -0.45 0.00 0.00 34.95 35.10 1v9j s ARG 57 CO -0.13 -0.47 1.56 0.00 -0.68 0.00 0.00 175.30 175.58 1v9j s ALA 59 N -5.21 3.39 -0.34 0.00 0.00 -1.26 -4.90 121.76 113.45 1v9j s ALA 59 Ca -0.14 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.14 1v9j s ALA 59 Cb 0.07 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.95 1v9j s ALA 59 CO 0.73 -1.88 0.11 0.99 0.00 0.00 0.00 175.76 175.70 1v9j s THR 60 N 2.55 3.82 0.15 0.00 2.01 -1.26 -4.74 115.64 118.16 1v9j s THR 60 Ca 0.16 -1.13 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 1v9j s THR 60 Cb -0.18 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1v9j s THR 60 CO 0.13 -0.18 0.32 -0.44 -0.69 0.00 0.00 174.62 173.76 1v9j s SER 61 N 1.42 6.38 0.03 3.53 0.01 -1.26 -2.11 113.70 121.70 1v9j s SER 61 Ca -0.01 0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.52 1v9j s SER 61 Cb -0.20 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 1v9j s SER 61 CO 0.03 0.04 0.08 -0.36 0.41 0.00 0.00 173.24 173.44 1v9j s PHE 62 N -1.73 0.20 -0.02 2.43 0.08 0.28 -3.45 117.98 115.77 1v9j s PHE 62 Ca 0.37 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1v9j s PHE 62 Cb -0.12 -0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.21 1v9j s PHE 62 CO 0.28 -0.33 -0.02 1.03 -0.10 0.00 0.00 175.22 176.08 1v9j s ARG 63 N -2.33 0.38 -0.06 0.44 0.52 -0.34 -2.15 118.95 115.41 1v9j s ARG 63 Ca -0.07 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1v9j s ARG 63 Cb -0.03 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.98 1v9j s ARG 63 CO -0.03 -0.07 -0.11 0.14 0.02 0.00 0.00 175.30 175.25 1v9j s VAL 64 N 0.69 1.01 -0.06 3.52 -7.23 -0.78 -0.79 120.40 116.76 1v9j s VAL 64 Ca -0.07 -0.42 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 1v9j s VAL 64 Cb -0.10 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.89 1v9j s VAL 64 CO -0.01 0.32 -0.24 -0.22 -0.31 0.00 0.00 175.10 174.64 1v9j s LEU 65 N 0.62 2.05 0.01 1.32 1.98 0.72 -2.90 118.68 122.48 1v9j s LEU 65 Ca -0.12 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 50.61 1v9j s LEU 65 Cb -0.15 -1.34 -0.01 0.00 0.66 0.00 0.00 46.19 45.36 1v9j s LEU 65 CO 0.03 0.22 -0.01 -0.69 -1.89 0.00 0.00 176.35 174.01 1v9j s VAL 66 N -0.08 0.06 -0.13 1.68 1.01 -0.99 -1.76 120.40 120.18 1v9j s VAL 66 Ca -0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1v9j s VAL 66 Cb -0.14 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 36.20 1v9j s VAL 66 CO 0.04 -0.13 0.26 -0.69 0.00 0.00 0.00 175.10 174.59 1v9j s VAL 67 N -0.40 -0.42 0.01 2.92 1.01 -0.90 -2.78 120.40 119.83 1v9j s VAL 67 Ca -0.04 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.94 1v9j s VAL 67 Cb -0.03 -0.44 0.10 0.00 0.00 0.00 0.00 36.38 36.01 1v9j s VAL 67 CO -0.00 0.12 1.26 -0.55 0.00 0.00 0.00 175.10 175.92 1v9j s SER 68 N 2.42 -0.01 0.23 3.32 0.15 -1.14 -1.81 113.70 116.86 1v9j s SER 68 Ca 0.01 -0.24 0.23 0.00 0.70 0.00 0.00 55.95 56.65 1v9j s SER 68 Cb -0.12 0.19 0.23 0.00 -1.71 0.00 0.00 66.02 64.60 1v9j s SER 68 CO -0.08 -0.37 1.29 0.00 1.20 0.00 0.00 173.24 175.28 1v9j h ALA 69 N 2.00 0.66 -0.77 5.45 0.00 -1.91 -3.34 119.26 121.35 1v9j h ALA 69 Ca -0.24 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.86 1v9j h ALA 69 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1v9j h ALA 69 CO 0.31 0.00 0.53 -0.22 0.00 0.00 0.00 179.25 179.88 1v9j h LYS 70 N 0.00 0.16 -0.01 0.00 1.63 -1.88 0.23 116.57 116.71 1v9j h LYS 70 Ca 0.00 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.62 1v9j h LYS 70 Cb 0.91 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.48 1v9j h LYS 70 CO 0.00 0.11 -0.79 0.74 -3.45 0.00 0.00 179.45 176.06 1v9j h PHE 71 N 0.17 0.18 -0.11 1.91 0.04 -1.91 -3.14 116.94 114.09 1v9j h PHE 71 Ca 0.38 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 1v9j h PHE 71 Cb 1.23 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 1v9j h PHE 71 CO -0.00 0.86 0.05 0.93 -0.60 0.00 0.00 178.31 179.55 1v9j h GLU 72 N 0.08 0.14 -0.50 1.51 4.39 -0.74 -1.97 114.58 117.48 1v9j h GLU 72 Ca -0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1v9j h GLU 72 Cb 1.38 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1v9j h GLU 72 CO 0.11 0.11 0.30 0.78 -1.16 0.00 0.00 179.01 179.15 1v9j h GLY 73 N 0.19 0.73 -2.69 -3.84 0.00 -1.47 -3.43 103.07 92.56 1v9j h GLY 73 Ca 0.04 -0.29 -0.57 0.00 0.00 0.00 0.00 47.33 46.50 1v9j h GLY 73 CO -0.01 0.29 -0.66 0.54 0.00 0.00 0.00 176.54 176.70 1v9j s LYS 74 N -5.52 2.25 0.00 4.80 1.02 -0.74 -5.14 119.74 116.40 1v9j s LYS 74 Ca -0.09 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1v9j s LYS 74 Cb 0.17 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1v9j s LYS 74 CO 0.75 0.38 0.00 -0.35 -0.92 0.00 0.00 175.35 175.21 1v9j n PRO 75 N -0.74 -0.85 0.06 -1.68 -0.04 -1.26 -4.71 135.00 125.77 1v9j n PRO 75 Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.31 1v9j n PRO 75 Cb 0.58 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.92 1v9j n PRO 75 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1v9j h LEU 76 N 0.00 0.06 -0.37 1.53 5.85 -1.99 -2.80 115.31 117.60 1v9j h LEU 76 Ca 0.00 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 1v9j h LEU 76 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1v9j h LEU 76 CO 0.00 1.06 -0.81 0.17 -0.34 0.00 0.00 178.44 178.52 1v9j h LEU 77 N 0.01 0.27 -0.01 2.25 -0.00 -1.99 -2.70 115.31 113.14 1v9j h LEU 77 Ca -0.05 -0.20 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 1v9j h LEU 77 Cb 1.82 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.40 1v9j h LEU 77 CO 0.14 0.97 -0.22 1.56 -0.00 0.00 0.00 178.44 180.89 1v9j h GLN 78 N 0.13 0.17 -0.46 0.17 7.50 -1.91 -2.42 115.11 118.29 1v9j h GLN 78 Ca -0.04 -0.17 0.03 0.00 0.50 0.00 0.00 58.65 58.97 1v9j h GLN 78 Cb 1.41 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.95 1v9j h GLN 78 CO 0.12 0.88 0.26 0.07 -1.50 0.00 0.00 178.83 178.66 1v9j h ARG 79 N -0.47 0.50 -0.37 1.46 0.11 -1.58 0.12 114.38 114.15 1v9j h ARG 79 Ca -0.02 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 59.96 1v9j h ARG 79 Cb 0.95 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.90 1v9j h ARG 79 CO 0.04 0.33 -0.05 0.45 0.10 0.00 0.00 179.97 180.84 1v9j h HIS 80 N 0.52 0.65 -0.30 4.08 3.86 -1.57 -2.84 115.15 119.55 1v9j h HIS 80 Ca 0.19 -0.09 -0.14 0.00 -1.16 0.00 0.00 60.37 59.17 1v9j h HIS 80 Cb 0.04 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 1v9j h HIS 80 CO -0.08 0.66 -0.34 0.00 0.86 0.00 0.00 177.93 179.03 1v9j h ARG 81 N 0.58 0.76 -0.33 2.45 3.08 -0.86 -2.99 114.38 117.06 1v9j h ARG 81 Ca 0.11 -0.42 0.05 0.00 0.07 0.00 0.00 59.98 59.80 1v9j h ARG 81 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1v9j h ARG 81 CO 0.02 1.04 0.23 -0.07 -1.07 0.00 0.00 179.97 180.12 1v9j h LEU 82 N 0.52 0.18 0.55 3.04 3.38 -0.58 0.43 115.31 122.83 1v9j h LEU 82 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1v9j h LEU 82 Cb 0.92 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.64 1v9j h LEU 82 CO 0.08 0.12 -0.26 0.58 0.09 0.00 0.00 178.44 179.05 1v9j h VAL 83 N 0.21 0.19 -0.23 1.22 2.07 -1.37 -2.79 116.25 115.55 1v9j h VAL 83 Ca 0.15 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1v9j h VAL 83 Cb 0.32 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1v9j h VAL 83 CO -0.03 0.03 -0.19 -0.55 0.02 0.00 0.00 177.57 176.86 1v9j h ASN 84 N -1.10 0.40 -0.86 0.57 -1.07 -1.42 -2.75 115.58 109.35 1v9j h ASN 84 Ca -0.08 -0.11 0.07 0.00 0.07 0.00 0.00 56.30 56.25 1v9j h ASN 84 Cb 0.62 -0.11 -0.06 0.00 -2.07 0.00 0.00 38.32 36.70 1v9j h ASN 84 CO 0.12 0.61 0.56 -0.33 0.07 0.00 0.00 177.43 178.46 1v9j h GLU 85 N 0.37 0.90 0.40 4.14 5.08 -0.17 0.81 114.58 126.12 1v9j h GLU 85 Ca 0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1v9j h GLU 85 Cb 0.55 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1v9j h GLU 85 CO 0.04 0.60 -0.19 0.00 -1.00 0.00 0.00 179.01 178.45 1v9j n LEU 87 N -5.18 7.52 -0.16 0.00 4.77 -1.08 -4.62 117.00 118.24 1v9j n LEU 87 Ca -0.10 -4.42 -0.07 0.00 -0.03 0.00 0.00 56.01 51.39 1v9j n LEU 87 Cb 0.29 -0.96 0.09 0.00 -2.33 0.00 0.00 43.42 40.50 1v9j n LEU 87 CO 0.28 1.56 0.84 0.00 -1.33 0.00 0.00 177.39 178.74 1v9j h ALA 88 N 2.19 0.95 -0.05 -1.18 0.00 0.60 0.36 119.26 122.13 1v9j h ALA 88 Ca 0.59 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 1v9j h ALA 88 Cb 0.71 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1v9j h ALA 88 CO 1.52 0.63 -0.95 0.93 0.00 0.00 0.00 179.25 181.39 1v9j h GLU 89 N 0.86 0.68 0.00 0.00 5.08 -1.83 -3.26 114.58 116.12 1v9j h GLU 89 Ca 0.16 -0.67 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 1v9j h GLU 89 Cb 0.53 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1v9j h GLU 89 CO 0.03 1.27 -0.76 0.93 -1.00 0.00 0.00 179.01 179.47 1v9j h GLU 90 N 0.41 0.00 -0.33 2.33 3.07 -1.87 -3.34 114.58 114.85 1v9j h GLU 90 Ca -0.10 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1v9j h GLU 90 Cb 1.59 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.42 1v9j h GLU 90 CO 0.18 0.76 -0.49 -0.07 -1.40 0.00 0.00 179.01 178.00 1v9j h LEU 91 N 0.00 -1.60 -1.72 1.33 3.38 -0.32 0.04 115.31 116.41 1v9j h LEU 91 Ca -0.01 0.22 0.40 0.00 0.09 0.00 0.00 57.88 58.59 1v9j h LEU 91 Cb 1.35 0.67 -0.08 0.00 0.09 0.00 0.00 40.66 42.68 1v9j h LEU 91 CO 0.10 -0.41 0.94 -0.65 0.09 0.00 0.00 178.44 178.51 1v9j h PRO 92 N -0.41 0.09 -0.01 1.13 0.11 -1.70 0.95 132.00 132.16 1v9j h PRO 92 Ca 0.09 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 1v9j h PRO 92 Cb 0.61 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1v9j h PRO 92 CO -0.54 0.06 -0.78 0.45 -0.21 0.00 0.00 178.00 176.98 1v9j h HIS 93 N 0.09 0.13 -2.94 0.65 3.86 -1.19 -3.43 115.15 112.33 1v9j h HIS 93 Ca 0.72 -0.07 -0.57 0.00 -1.16 0.00 0.00 60.37 59.30 1v9j h HIS 93 Cb 2.54 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 30.95 1v9j h HIS 93 CO -0.00 0.83 0.95 0.42 0.86 0.00 0.00 177.93 180.99 1v9j s ILE 94 N -3.32 4.14 0.36 2.45 -1.09 0.33 -4.90 121.20 119.18 1v9j s ILE 94 Ca -0.02 1.35 0.10 0.00 -2.23 0.00 0.00 60.65 59.85 1v9j s ILE 94 Cb 0.11 -3.97 0.12 0.00 -1.58 0.00 0.00 42.46 37.14 1v9j s ILE 94 CO 0.80 -0.23 1.85 -0.74 -1.23 0.00 0.00 174.94 175.38 1v9j h HIS 95 N 8.81 0.20 -2.23 3.97 2.76 -1.68 -3.42 115.15 123.56 1v9j h HIS 95 Ca -0.28 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 57.78 1v9j h HIS 95 Cb 1.11 -0.05 -0.27 0.00 1.55 0.00 0.00 27.41 29.75 1v9j h HIS 95 CO 0.84 0.42 -0.36 0.00 -1.30 0.00 0.00 177.93 177.53 1v9j s ALA 96 N -4.48 -1.32 -0.01 5.26 0.00 -0.90 -4.91 121.76 115.41 1v9j s ALA 96 Ca -0.05 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1v9j s ALA 96 Cb 0.15 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1v9j s ALA 96 CO 0.74 -0.92 -0.19 0.12 0.00 0.00 0.00 175.76 175.51 1v9j s PHE 97 N 2.65 1.73 -0.10 0.00 2.19 -1.26 0.10 117.98 123.29 1v9j s PHE 97 Ca 0.02 -0.33 0.01 0.00 0.33 0.00 0.00 56.93 56.96 1v9j s PHE 97 Cb -0.13 -1.10 0.02 0.00 -1.31 0.00 0.00 43.02 40.50 1v9j s PHE 97 CO -0.15 -0.01 -0.12 -2.00 1.83 0.00 0.00 175.22 174.77 1v9j s GLU 98 N -0.55 1.89 -0.18 10.12 2.56 -0.91 -4.97 118.70 126.65 1v9j s GLU 98 Ca 0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 54.97 54.60 1v9j s GLU 98 Cb -0.08 -1.67 0.01 0.00 2.00 0.00 0.00 34.13 34.40 1v9j s GLU 98 CO -0.00 -0.08 -0.16 1.14 -0.56 0.00 0.00 175.26 175.59 1v9j s GLN 99 N 1.05 3.10 -0.11 4.30 -2.07 -1.26 -1.87 119.66 122.80 1v9j s GLN 99 Ca -0.06 -0.78 -0.00 0.00 -1.82 0.00 0.00 55.36 52.69 1v9j s GLN 99 Cb -0.15 -2.66 0.02 0.00 -1.09 0.00 0.00 33.01 29.14 1v9j s GLN 99 CO -0.02 -0.17 -0.08 0.21 -1.32 0.00 0.00 175.29 173.92 1v9j s LYS 100 N 1.25 1.52 0.00 9.60 2.36 -1.14 -5.06 119.74 128.27 1v9j s LYS 100 Ca 0.03 -0.25 0.07 0.00 -2.55 0.00 0.00 55.97 53.27 1v9j s LYS 100 Cb -0.14 -1.58 -0.02 0.00 -1.05 0.00 0.00 37.83 35.04 1v9j s LYS 100 CO -0.09 -0.27 -0.22 0.95 1.55 0.00 0.00 175.35 177.28 1v9j s THR 101 N 1.71 1.75 0.26 3.43 -4.23 -1.26 -2.35 115.64 114.95 1v9j s THR 101 Ca 0.05 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.42 1v9j s THR 101 Cb -0.13 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1v9j s THR 101 CO -0.08 0.40 0.44 -0.76 -0.54 0.00 0.00 174.62 174.08 1v9j s LEU 102 N -0.75 0.52 0.23 4.79 1.43 -1.12 -5.04 118.68 118.75 1v9j s LEU 102 Ca 0.08 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.02 1v9j s LEU 102 Cb -0.09 1.57 -0.07 0.00 0.03 0.00 0.00 46.19 47.64 1v9j s LEU 102 CO 0.00 -1.14 0.54 0.42 0.23 0.00 0.00 176.35 176.40 1v9j s THR 103 N -3.84 4.96 0.21 5.49 -4.23 -1.26 -2.88 115.64 114.08 1v9j s THR 103 Ca 0.26 0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1v9j s THR 103 Cb 0.00 -3.63 0.15 0.00 1.34 0.00 0.00 72.50 70.36 1v9j s THR 103 CO 0.11 -0.10 1.75 -0.65 -0.54 0.00 0.00 174.62 175.19 1v9j h PRO 104 N 2.43 0.42 -0.43 3.99 0.11 -1.88 -1.49 132.00 135.14 1v9j h PRO 104 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1v9j h PRO 104 Cb 1.17 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1v9j h PRO 104 CO 0.69 0.28 0.22 1.49 -0.21 0.00 0.00 178.00 180.47 1v9j h GLU 105 N 0.43 0.43 0.24 1.05 4.57 -1.95 0.32 114.58 119.66 1v9j h GLU 105 Ca 0.31 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1v9j h GLU 105 Cb 0.38 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1v9j h GLU 105 CO -0.30 0.29 -0.11 1.96 -1.18 0.00 0.00 179.01 179.66 1v9j h GLN 106 N 0.45 -0.31 -0.28 1.92 1.08 -1.79 0.54 115.11 116.71 1v9j h GLN 106 Ca 0.18 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1v9j h GLN 106 Cb 0.08 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1v9j h GLN 106 CO -0.12 -0.20 0.17 2.35 -0.95 0.00 0.00 178.83 180.07 1v9j h TRP 107 N -0.33 0.37 -0.61 2.96 2.91 -1.07 0.81 115.95 120.99 1v9j h TRP 107 Ca -0.03 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 1v9j h TRP 107 Cb 0.25 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.75 1v9j h TRP 107 CO -0.06 0.28 0.13 1.15 -1.03 0.00 0.00 178.44 178.91 1v9j h THR 108 N 0.35 1.25 0.00 2.65 2.02 -0.25 -2.67 112.91 116.26 1v9j h THR 108 Ca 0.10 -0.93 -0.16 0.00 0.77 0.00 0.00 66.41 66.19 1v9j h THR 108 Cb 0.02 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1v9j h THR 108 CO -0.02 0.35 -0.75 0.03 0.37 0.00 0.00 175.52 175.50 1v9j h ARG 109 N 0.92 0.00 0.00 6.66 3.08 0.41 -3.11 114.38 122.35 1v9j h ARG 109 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1v9j h ARG 109 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1v9j h ARG 109 CO 0.00 0.75 0.00 0.94 -1.07 0.00 0.00 179.97 180.59 1v9j n GLN 110 N -3.44 0.12 -3.16 0.04 7.27 0.28 -3.44 117.38 115.04 1v9j n GLN 110 Ca 0.00 0.39 -0.25 0.00 0.07 0.00 0.00 57.00 57.20 1v9j n GLN 110 Cb 0.78 -1.74 -0.05 0.00 2.41 0.00 0.00 30.24 31.64 1v9j n GLN 110 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1v9j n ARG 111 N -1.96 2.41 -1.36 3.69 1.85 -1.14 -5.06 116.66 115.08 1v9j n ARG 111 Ca 0.02 -4.41 0.17 0.00 -1.00 0.00 0.00 57.85 52.63 1v9j n ARG 111 Cb 0.18 -2.06 -0.07 0.00 -1.05 0.00 0.00 32.46 29.47 1v9j n ARG 111 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1v9j n ARG 112 N 0.37 -2.87 0.00 2.89 5.12 -1.22 -4.98 116.66 115.96 1v9j n ARG 112 Ca 0.29 2.19 0.12 0.00 -1.93 0.00 0.00 57.85 58.51 1v9j n ARG 112 Cb 0.45 -3.47 0.68 0.00 -1.16 0.00 0.00 32.46 28.97 1v9j n ARG 112 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85