#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng3 s PRO 3 N 0.00 3.20 0.88 -2.82 0.04 -1.26 -5.04 135.00 130.00 3ng3 s PRO 3 Ca 0.00 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 3ng3 s PRO 3 Cb 0.00 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.67 3ng3 s PRO 3 CO 0.00 -0.95 1.13 0.95 0.04 0.00 0.00 177.00 178.17 3ng3 s THR 4 N -2.01 2.26 0.14 1.26 -4.23 -1.26 -4.80 115.64 107.00 3ng3 s THR 4 Ca 0.70 0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 61.06 3ng3 s THR 4 Cb -0.22 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3ng3 s THR 4 CO 0.32 -0.11 1.63 -0.09 -0.54 0.00 0.00 174.62 175.83 3ng3 h ARG 5 N -1.40 -0.29 -0.32 3.99 2.43 -1.95 0.50 114.38 117.33 3ng3 h ARG 5 Ca -0.50 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3ng3 h ARG 5 Cb 1.32 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 3ng3 h ARG 5 CO 0.61 -0.19 0.21 0.00 -1.51 0.00 0.00 179.97 179.09 3ng3 h ALA 6 N 0.65 1.85 -0.09 2.80 0.00 -1.94 -0.83 119.26 121.70 3ng3 h ALA 6 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3ng3 h ALA 6 Cb 0.46 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ng3 h ALA 6 CO -0.31 0.12 -0.52 1.96 0.00 0.00 0.00 179.25 180.49 3ng3 h GLN 7 N 0.36 0.52 -0.39 0.00 4.20 -1.67 -2.30 115.11 115.83 3ng3 h GLN 7 Ca 0.12 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.37 3ng3 h GLN 7 Cb 0.06 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3ng3 h GLN 7 CO -0.03 1.06 0.12 1.25 -0.67 0.00 0.00 178.83 180.57 3ng3 h LEU 8 N 0.11 0.57 -0.83 1.46 5.85 -0.76 -2.99 115.31 118.72 3ng3 h LEU 8 Ca -0.04 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3ng3 h LEU 8 Cb 1.17 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 3ng3 h LEU 8 CO 0.11 0.63 0.48 0.00 -0.34 0.00 0.00 178.44 179.32 3ng3 h ALA 9 N 0.97 1.19 0.00 1.25 0.00 -1.17 -0.55 119.26 120.94 3ng3 h ALA 9 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ng3 h ALA 9 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ng3 h ALA 9 CO -0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3ng3 h ALA 10 N 1.45 1.00 -0.00 0.00 0.00 -1.25 0.97 119.26 121.42 3ng3 h ALA 10 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ng3 h ALA 10 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ng3 h ALA 10 CO -0.24 0.00 -0.17 1.19 0.00 0.00 0.00 179.25 180.03 3ng3 n PHE 11 N -2.47 0.00 -3.91 0.00 3.72 -0.22 -4.21 117.46 110.37 3ng3 n PHE 11 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 3ng3 n PHE 11 Cb 0.05 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 38.33 3ng3 n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ng3 s VAL 12 N -2.52 5.15 -0.46 -4.37 1.01 0.33 -0.61 120.40 118.93 3ng3 s VAL 12 Ca 0.26 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 3ng3 s VAL 12 Cb 0.20 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.32 3ng3 s VAL 12 CO 0.50 0.51 0.57 -1.81 0.00 0.00 0.00 175.10 174.87 3ng3 s ASP 13 N -0.11 6.24 -0.28 3.32 1.01 0.46 -1.26 116.67 126.05 3ng3 s ASP 13 Ca 0.09 -0.68 -0.25 0.00 0.71 0.00 0.00 52.55 52.42 3ng3 s ASP 13 Cb -0.12 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.54 3ng3 s ASP 13 CO 0.01 -0.77 0.86 -2.28 0.21 0.00 0.00 175.17 173.20 3ng3 s HIS 14 N 2.54 3.24 -0.02 4.23 2.46 0.17 -2.10 115.29 125.80 3ng3 s HIS 14 Ca 0.16 1.01 0.07 0.00 0.47 0.00 0.00 55.06 56.77 3ng3 s HIS 14 Cb -0.17 -3.23 -0.02 0.00 -0.13 0.00 0.00 32.58 29.03 3ng3 s HIS 14 CO 0.14 -0.54 -0.22 0.99 -2.47 0.00 0.00 174.74 172.64 3ng3 s THR 15 N 3.03 1.78 -0.08 0.89 2.01 0.12 -0.77 115.64 122.62 3ng3 s THR 15 Ca 0.36 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 3ng3 s THR 15 Cb -0.14 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 70.93 3ng3 s THR 15 CO 0.11 0.50 0.13 -0.22 -0.69 0.00 0.00 174.62 174.45 3ng3 s LEU 16 N -0.49 0.01 -0.01 4.42 2.96 -0.57 -4.39 118.68 120.61 3ng3 s LEU 16 Ca 0.08 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3ng3 s LEU 16 Cb -0.09 0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.74 3ng3 s LEU 16 CO -0.01 -0.25 0.69 0.18 -1.32 0.00 0.00 176.35 175.64 3ng3 n LEU 17 N 5.32 0.45 -4.77 -0.68 4.77 -1.26 -3.96 117.00 116.86 3ng3 n LEU 17 Ca -0.04 -0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 54.89 3ng3 n LEU 17 Cb 0.50 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3ng3 n LEU 17 CO 0.05 0.16 1.05 -0.54 -1.33 0.00 0.00 177.39 176.78 3ng3 s LYS 18 N -0.30 4.18 0.42 3.23 1.02 -1.26 -4.90 119.74 122.13 3ng3 s LYS 18 Ca 0.01 2.38 0.12 0.00 0.02 0.00 0.00 55.97 58.51 3ng3 s LYS 18 Cb 0.01 -2.98 0.97 0.00 -0.52 0.00 0.00 37.83 35.32 3ng3 s LYS 18 CO 0.00 -0.40 1.97 -1.35 -0.92 0.00 0.00 175.35 174.65 3ng3 h PRO 19 N 3.10 0.46 0.00 -1.68 0.11 -2.04 -1.89 132.00 130.06 3ng3 h PRO 19 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ng3 h PRO 19 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ng3 h PRO 19 CO 0.64 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 177.89 3ng3 n GLU 20 N -4.48 0.63 -1.72 1.05 0.00 -1.26 -4.93 120.64 109.93 3ng3 n GLU 20 Ca 0.11 0.01 -0.40 0.00 0.00 0.00 0.00 57.16 56.87 3ng3 n GLU 20 Cb 0.36 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.32 3ng3 n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ng3 n ALA 21 N -1.17 1.46 -2.45 -1.84 0.00 -0.71 -5.02 120.51 110.78 3ng3 n ALA 21 Ca 0.17 0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.60 3ng3 n ALA 21 Cb 0.18 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.26 3ng3 n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ng3 s THR 22 N -1.22 2.46 0.27 0.00 -4.23 -1.26 -5.00 115.64 106.66 3ng3 s THR 22 Ca 0.63 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3ng3 s THR 22 Cb -0.48 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 70.65 3ng3 s THR 22 CO 0.56 -0.05 1.81 0.00 -0.54 0.00 0.00 174.62 176.40 3ng3 h ALA 23 N 1.47 1.41 -0.59 3.99 0.00 -1.99 -1.07 119.26 122.48 3ng3 h ALA 23 Ca -0.43 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3ng3 h ALA 23 Cb 1.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3ng3 h ALA 23 CO 0.68 0.10 0.14 0.00 0.00 0.00 0.00 179.25 180.17 3ng3 h ALA 24 N 1.54 1.14 -0.54 0.00 0.00 -1.99 -1.23 119.26 118.18 3ng3 h ALA 24 Ca 0.48 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3ng3 h ALA 24 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ng3 h ALA 24 CO -0.30 0.58 0.07 -0.44 0.00 0.00 0.00 179.25 179.16 3ng3 h ASP 25 N 0.87 0.88 -0.58 0.00 3.32 -1.63 -2.22 116.42 117.06 3ng3 h ASP 25 Ca 0.19 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3ng3 h ASP 25 Cb 0.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3ng3 h ASP 25 CO 0.00 0.93 -0.00 0.58 -1.72 0.00 0.00 179.24 179.03 3ng3 h VAL 26 N 0.79 1.26 -0.26 -1.35 2.07 -0.88 -1.20 116.25 116.69 3ng3 h VAL 26 Ca 0.16 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.46 3ng3 h VAL 26 Cb 0.44 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3ng3 h VAL 26 CO 0.01 0.41 -0.18 0.00 0.02 0.00 0.00 177.57 177.84 3ng3 h ALA 27 N 1.04 1.22 -0.49 1.67 0.00 -1.10 -1.09 119.26 120.51 3ng3 h ALA 27 Ca 0.17 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3ng3 h ALA 27 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ng3 h ALA 27 CO 0.03 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.62 3ng3 h ALA 28 N 1.40 0.68 -0.05 0.00 0.00 -1.08 -2.22 119.26 118.00 3ng3 h ALA 28 Ca 0.07 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ng3 h ALA 28 Cb 0.55 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ng3 h ALA 28 CO 0.04 0.63 -0.13 1.25 0.00 0.00 0.00 179.25 181.03 3ng3 h LEU 29 N 0.83 -0.40 -0.13 0.00 5.85 -0.72 -0.54 115.31 120.21 3ng3 h LEU 29 Ca 0.12 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3ng3 h LEU 29 Cb 0.73 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3ng3 h LEU 29 CO 0.06 -0.18 -0.11 0.58 -0.34 0.00 0.00 178.44 178.44 3ng3 h VAL 30 N -0.20 0.68 -0.87 1.05 2.07 -1.19 0.11 116.25 117.90 3ng3 h VAL 30 Ca 0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.71 3ng3 h VAL 30 Cb 0.29 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 3ng3 h VAL 30 CO -0.17 0.00 0.48 0.74 0.02 0.00 0.00 177.57 178.64 3ng3 h THR 31 N -0.13 0.80 -0.34 2.57 2.02 -1.08 -1.70 112.91 115.04 3ng3 h THR 31 Ca 0.09 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 3ng3 h THR 31 Cb 0.26 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3ng3 h THR 31 CO -0.21 0.13 -0.26 -0.08 0.37 0.00 0.00 175.52 175.47 3ng3 h GLU 32 N 0.72 0.79 -0.34 6.66 4.57 -0.43 -2.37 114.58 124.18 3ng3 h GLU 32 Ca 0.45 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3ng3 h GLU 32 Cb 0.57 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 3ng3 h GLU 32 CO -0.32 1.01 -0.11 0.00 -1.18 0.00 0.00 179.01 178.41 3ng3 h ALA 33 N 0.76 0.18 -0.70 2.92 0.00 -0.09 -0.30 119.26 122.03 3ng3 h ALA 33 Ca 0.06 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ng3 h ALA 33 Cb 0.83 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3ng3 h ALA 33 CO 0.07 -0.49 0.26 0.00 0.00 0.00 0.00 179.25 179.09 3ng3 h ALA 34 N 1.27 0.91 -0.40 0.00 0.00 -1.29 -1.73 119.26 118.02 3ng3 h ALA 34 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ng3 h ALA 34 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ng3 h ALA 34 CO -0.37 0.56 0.24 1.49 0.00 0.00 0.00 179.25 181.17 3ng3 h GLU 35 N 1.01 0.55 0.00 0.00 4.81 -0.83 -2.92 114.58 117.20 3ng3 h GLU 35 Ca 0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ng3 h GLU 35 Cb 0.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3ng3 h GLU 35 CO -0.01 0.41 0.00 -0.07 -0.73 0.00 0.00 179.01 178.61 3ng3 h LEU 36 N 0.53 0.00 -1.00 1.64 3.38 -0.85 -3.48 115.31 115.53 3ng3 h LEU 36 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3ng3 h LEU 36 Cb 0.01 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.80 3ng3 h LEU 36 CO -0.03 0.00 -0.19 0.61 0.09 0.00 0.00 178.44 178.92 3ng3 n GLY 37 N 0.67 0.53 3.90 0.83 0.00 -0.67 -4.86 105.19 105.58 3ng3 n GLY 37 Ca 0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 3ng3 n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ng3 s VAL 38 N -3.09 2.47 0.09 1.61 -7.23 -1.10 -3.62 120.40 109.53 3ng3 s VAL 38 Ca 0.16 0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.27 3ng3 s VAL 38 Cb -0.07 -3.14 -0.08 0.00 0.56 0.00 0.00 36.38 33.65 3ng3 s VAL 38 CO 0.20 -0.18 1.45 0.22 -0.31 0.00 0.00 175.10 176.48 3ng3 h TYR 39 N -0.89 0.67 -2.78 2.82 3.20 -1.12 -3.46 116.97 115.40 3ng3 h TYR 39 Ca -0.46 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.27 3ng3 h TYR 39 Cb 1.31 -0.15 -0.13 0.00 1.54 0.00 0.00 36.73 39.29 3ng3 h TYR 39 CO 0.37 0.82 0.30 0.00 -1.64 0.00 0.00 178.16 178.01 3ng3 s ALA 40 N -4.60 -1.67 0.08 1.82 0.00 -1.01 -4.64 121.76 111.75 3ng3 s ALA 40 Ca -0.13 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 3ng3 s ALA 40 Cb 0.08 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3ng3 s ALA 40 CO 0.79 -0.75 0.24 0.14 0.00 0.00 0.00 175.76 176.18 3ng3 s VAL 41 N -3.56 5.35 -0.11 0.00 -7.23 -0.74 0.41 120.40 114.53 3ng3 s VAL 41 Ca 0.02 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 3ng3 s VAL 41 Cb -0.01 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.31 3ng3 s VAL 41 CO -0.12 0.11 -0.13 0.00 -0.31 0.00 0.00 175.10 174.66 3ng3 s VAL 43 N 1.14 0.44 0.57 0.00 -7.23 -0.80 -1.51 120.40 113.00 3ng3 s VAL 43 Ca -0.04 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 3ng3 s VAL 43 Cb -0.14 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.17 3ng3 s VAL 43 CO -0.03 -0.04 1.01 -0.44 -0.31 0.00 0.00 175.10 175.29 3ng3 s SER 44 N -3.27 6.38 0.21 4.85 0.01 -1.25 -3.70 113.70 116.93 3ng3 s SER 44 Ca 0.37 1.52 -0.10 0.00 1.31 0.00 0.00 55.95 59.06 3ng3 s SER 44 Cb 0.08 -2.49 0.26 0.00 0.21 0.00 0.00 66.02 64.07 3ng3 s SER 44 CO 0.12 -0.76 1.76 -0.65 0.41 0.00 0.00 173.24 174.13 3ng3 h PRO 45 N 0.34 0.45 0.00 12.44 0.11 -1.97 0.16 132.00 143.54 3ng3 h PRO 45 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ng3 h PRO 45 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ng3 h PRO 45 CO 0.61 0.30 0.00 -0.35 -0.21 0.00 0.00 178.00 178.35 3ng3 n PRO 46 N -4.95 0.01 0.00 1.05 -0.05 -1.26 -2.08 135.00 127.72 3ng3 n PRO 46 Ca 0.08 0.32 0.12 0.00 -0.05 0.00 0.00 63.50 63.98 3ng3 n PRO 46 Cb 0.25 -1.51 0.26 0.00 -0.05 0.00 0.00 33.50 32.45 3ng3 n PRO 46 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 3ng3 n MET 47 N -1.53 1.25 -0.09 0.54 2.81 0.04 -4.40 117.12 115.74 3ng3 n MET 47 Ca 0.03 -0.88 -0.10 0.00 -1.81 0.00 0.00 57.70 54.94 3ng3 n MET 47 Cb 0.13 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 3ng3 n MET 47 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ng3 h VAL 48 N 2.15 1.16 -0.64 2.03 2.07 -1.38 -1.74 116.25 119.89 3ng3 h VAL 48 Ca 0.00 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ng3 h VAL 48 Cb 0.63 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3ng3 h VAL 48 CO 0.00 0.17 0.36 -0.65 0.02 0.00 0.00 177.57 177.46 3ng3 h PRO 49 N 0.34 0.89 -0.12 1.57 0.11 -1.80 0.36 132.00 133.34 3ng3 h PRO 49 Ca 0.10 -0.10 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 3ng3 h PRO 49 Cb 0.14 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3ng3 h PRO 49 CO -0.01 0.67 -0.44 0.00 -0.21 0.00 0.00 178.00 178.01 3ng3 h ALA 50 N 1.17 1.03 -0.72 -0.75 0.00 -1.85 -0.58 119.26 117.57 3ng3 h ALA 50 Ca 0.23 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3ng3 h ALA 50 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ng3 h ALA 50 CO -0.04 0.62 0.18 0.00 0.00 0.00 0.00 179.25 180.01 3ng3 h ALA 51 N 1.31 0.97 -0.19 0.00 0.00 -0.54 -2.04 119.26 118.76 3ng3 h ALA 51 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3ng3 h ALA 51 Cb 0.87 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ng3 h ALA 51 CO 0.07 0.67 -0.04 0.28 0.00 0.00 0.00 179.25 180.23 3ng3 h VAL 52 N 1.08 1.28 0.00 0.00 2.07 -0.73 -3.02 116.25 116.94 3ng3 h VAL 52 Ca 0.23 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3ng3 h VAL 52 Cb 0.36 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3ng3 h VAL 52 CO 0.00 0.30 0.00 1.56 0.02 0.00 0.00 177.57 179.45 3ng3 h GLN 53 N 0.08 0.00 0.00 1.57 4.20 -1.06 -2.93 115.11 116.97 3ng3 h GLN 53 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3ng3 h GLN 53 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ng3 h GLN 53 CO 0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 3ng3 n ALA 54 N -2.01 1.85 -3.76 3.87 0.00 -0.77 -4.90 120.51 114.78 3ng3 n ALA 54 Ca -0.01 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 3ng3 n ALA 54 Cb 0.14 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.51 3ng3 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 55 N -0.36 -0.44 0.06 0.00 0.00 -1.11 -4.99 105.19 98.36 3ng3 n GLY 55 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3ng3 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 n ALA 56 N -4.59 1.33 -3.77 4.61 0.00 -1.26 -5.22 120.51 111.61 3ng3 n ALA 56 Ca -0.09 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 3ng3 n ALA 56 Cb 0.59 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.87 3ng3 n ALA 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ng3 s ARG 59 N -0.10 2.38 -0.14 0.00 3.52 -1.26 -5.15 118.95 118.20 3ng3 s ARG 59 Ca 0.00 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3ng3 s ARG 59 Cb 0.00 -2.05 -0.01 0.00 -1.56 0.00 0.00 34.95 31.33 3ng3 s ARG 59 CO 0.00 -0.11 -0.14 0.08 -0.81 0.00 0.00 175.30 174.32 3ng3 s VAL 60 N 1.11 2.90 -0.01 7.11 1.01 -1.26 -1.80 120.40 129.46 3ng3 s VAL 60 Ca -0.03 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3ng3 s VAL 60 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3ng3 s VAL 60 CO -0.05 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.59 3ng3 s ALA 61 N 0.59 3.34 0.46 5.51 0.00 0.42 -0.09 121.76 132.00 3ng3 s ALA 61 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.98 3ng3 s ALA 61 Cb -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3ng3 s ALA 61 CO 0.03 0.65 0.05 0.45 0.00 0.00 0.00 175.76 176.94 3ng3 s SER 62 N -1.54 3.62 0.29 0.00 0.15 -0.21 -1.90 113.70 114.11 3ng3 s SER 62 Ca 0.20 -1.63 0.10 0.00 0.70 0.00 0.00 55.95 55.31 3ng3 s SER 62 Cb -0.12 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 3ng3 s SER 62 CO 0.10 -0.85 -0.01 0.68 1.20 0.00 0.00 173.24 174.36 3ng3 s VAL 63 N -2.99 3.16 -0.01 4.45 -7.23 -1.24 0.06 120.40 116.60 3ng3 s VAL 63 Ca 0.15 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 3ng3 s VAL 63 Cb 0.03 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.19 3ng3 s VAL 63 CO 0.08 -0.33 -0.05 0.00 -0.31 0.00 0.00 175.10 174.49 3ng3 s ALA 64 N -2.39 0.49 -1.58 1.32 0.00 -0.81 -4.54 121.76 114.26 3ng3 s ALA 64 Ca 0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 3ng3 s ALA 64 Cb -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3ng3 s ALA 64 CO 0.19 0.07 0.46 0.41 0.00 0.00 0.00 175.76 176.90 3ng3 n GLY 65 N 3.28 -0.52 3.68 0.00 0.00 -1.26 -1.82 105.19 108.55 3ng3 n GLY 65 Ca -0.17 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3ng3 n GLY 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ng3 s PHE 66 N -3.12 3.11 -1.42 1.61 5.36 -1.26 -0.71 117.98 121.54 3ng3 s PHE 66 Ca 0.24 0.13 0.25 0.00 -0.96 0.00 0.00 56.93 56.59 3ng3 s PHE 66 Cb -0.11 -1.73 0.55 0.00 -0.34 0.00 0.00 43.02 41.40 3ng3 s PHE 66 CO 0.29 0.46 1.44 -0.35 -1.46 0.00 0.00 175.22 175.60 3ng3 n PRO 67 N 1.76 0.47 0.10 10.12 -0.04 -1.26 -4.90 135.00 141.26 3ng3 n PRO 67 Ca -0.16 -0.29 -0.03 0.00 -0.04 0.00 0.00 63.50 62.97 3ng3 n PRO 67 Cb 0.53 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 3ng3 n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ng3 h SER 68 N 0.72 0.00 0.00 3.54 4.64 -1.95 -3.47 113.55 117.02 3ng3 h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ng3 h SER 68 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3ng3 h SER 68 CO 0.00 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3ng3 n GLY 69 N 0.97 1.72 3.13 -0.77 0.00 0.11 -4.67 105.19 105.67 3ng3 n GLY 69 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ng3 n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ng3 n LYS 70 N -2.00 3.61 -3.80 1.61 4.76 -1.26 -3.71 118.16 117.38 3ng3 n LYS 70 Ca 0.00 -3.81 -0.13 0.00 -2.87 0.00 0.00 58.31 51.51 3ng3 n LYS 70 Cb 0.00 -2.90 -0.11 0.00 -1.84 0.00 0.00 35.03 30.18 3ng3 n LYS 70 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3ng3 s HIS 71 N 0.37 -0.23 0.69 2.13 3.76 -1.26 -5.11 115.29 115.64 3ng3 s HIS 71 Ca 0.39 0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 55.68 3ng3 s HIS 71 Cb 0.03 0.08 0.01 0.00 1.11 0.00 0.00 32.58 33.82 3ng3 s HIS 71 CO 0.01 -0.15 1.24 0.14 -0.85 0.00 0.00 174.74 175.12 3ng3 s VAL 72 N -0.09 2.24 0.29 -0.90 -7.23 -1.26 -4.79 120.40 108.66 3ng3 s VAL 72 Ca -0.02 0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.32 3ng3 s VAL 72 Cb -0.02 -2.86 0.29 0.00 0.56 0.00 0.00 36.38 34.34 3ng3 s VAL 72 CO 0.01 -0.05 1.72 0.28 -0.31 0.00 0.00 175.10 176.74 3ng3 h SER 73 N 0.11 0.45 -0.26 4.85 0.02 -1.97 -1.00 113.55 115.76 3ng3 h SER 73 Ca -0.49 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3ng3 h SER 73 Cb 1.31 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 3ng3 h SER 73 CO 0.51 0.07 0.12 0.00 -1.14 0.00 0.00 176.83 176.39 3ng3 h ALA 74 N 1.69 1.65 -0.10 3.77 0.00 -1.96 -0.21 119.26 124.10 3ng3 h ALA 74 Ca 0.56 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.20 3ng3 h ALA 74 Cb 1.02 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ng3 h ALA 74 CO -0.49 0.28 -0.68 0.28 0.00 0.00 0.00 179.25 178.65 3ng3 h VAL 75 N 0.43 1.33 -0.95 0.00 2.07 -1.53 -1.07 116.25 116.53 3ng3 h VAL 75 Ca 0.11 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 3ng3 h VAL 75 Cb 0.09 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3ng3 h VAL 75 CO -0.01 0.60 0.57 0.11 0.02 0.00 0.00 177.57 178.86 3ng3 h LYS 76 N 0.30 1.28 -0.13 1.57 1.57 -1.19 -1.21 116.57 118.77 3ng3 h LYS 76 Ca -0.06 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 3ng3 h LYS 76 Cb 1.33 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 33.37 3ng3 h LYS 76 CO 0.14 0.90 -0.63 0.00 -0.57 0.00 0.00 179.45 179.29 3ng3 h ALA 77 N 1.32 0.26 0.12 3.86 0.00 -0.93 -0.86 119.26 123.04 3ng3 h ALA 77 Ca 0.34 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ng3 h ALA 77 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ng3 h ALA 77 CO -0.06 0.53 -0.22 1.25 0.00 0.00 0.00 179.25 180.75 3ng3 h HIS 78 N 0.33 -0.58 -0.55 0.00 -0.00 -1.06 -1.00 115.15 112.29 3ng3 h HIS 78 Ca -0.04 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.38 3ng3 h HIS 78 Cb 1.26 0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 28.87 3ng3 h HIS 78 CO 0.10 -0.31 0.30 1.49 -0.00 0.00 0.00 177.93 179.50 3ng3 h GLU 79 N -0.42 0.56 -0.59 5.26 4.81 -1.14 -1.79 114.58 121.28 3ng3 h GLU 79 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ng3 h GLU 79 Cb 0.43 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3ng3 h GLU 79 CO -0.11 0.37 0.34 0.00 -0.73 0.00 0.00 179.01 178.88 3ng3 h ALA 80 N 1.29 0.75 -0.43 2.92 0.00 -0.98 -2.74 119.26 120.07 3ng3 h ALA 80 Ca 0.24 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3ng3 h ALA 80 Cb 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ng3 h ALA 80 CO -0.15 0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.55 3ng3 h ALA 81 N 1.17 0.53 -0.54 0.00 0.00 -0.64 -1.72 119.26 118.05 3ng3 h ALA 81 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ng3 h ALA 81 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ng3 h ALA 81 CO -0.04 -0.15 0.25 -0.07 0.00 0.00 0.00 179.25 179.24 3ng3 h LEU 82 N 0.42 0.72 -0.48 0.00 3.38 -1.22 -0.36 115.31 117.77 3ng3 h LEU 82 Ca 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ng3 h LEU 82 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ng3 h LEU 82 CO -0.14 0.66 0.18 0.00 0.09 0.00 0.00 178.44 179.24 3ng3 h ALA 83 N 1.09 0.62 -0.60 1.53 0.00 -1.22 -0.53 119.26 120.15 3ng3 h ALA 83 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ng3 h ALA 83 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ng3 h ALA 83 CO -0.02 0.24 0.06 0.28 0.00 0.00 0.00 179.25 179.81 3ng3 h VAL 84 N 0.63 1.26 -0.05 0.00 2.07 -1.19 -1.11 116.25 117.87 3ng3 h VAL 84 Ca 0.16 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 3ng3 h VAL 84 Cb 0.21 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ng3 h VAL 84 CO -0.01 0.39 -0.19 0.00 0.02 0.00 0.00 177.57 177.77 3ng3 h ALA 85 N 1.00 1.59 -0.00 1.67 0.00 -0.63 -1.73 119.26 121.16 3ng3 h ALA 85 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ng3 h ALA 85 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ng3 h ALA 85 CO 0.02 0.30 -0.01 0.43 0.00 0.00 0.00 179.25 179.99 3ng3 n SER 86 N -4.28 0.31 0.00 0.00 7.64 -0.24 -4.90 113.62 112.15 3ng3 n SER 86 Ca -0.02 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.93 3ng3 n SER 86 Cb 0.27 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3ng3 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ng3 n GLY 87 N 1.10 1.19 3.73 0.23 0.00 -0.65 -4.55 105.19 106.24 3ng3 n GLY 87 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ng3 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 88 N -2.00 3.68 -0.28 4.61 0.00 -0.47 -4.67 121.76 122.63 3ng3 s ALA 88 Ca 0.00 1.32 0.23 0.00 0.00 0.00 0.00 51.96 53.51 3ng3 s ALA 88 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.59 3ng3 s ALA 88 CO 0.00 -0.74 1.10 0.00 0.00 0.00 0.00 175.76 176.12 3ng3 h ALA 89 N 5.87 0.54 -2.65 0.00 0.00 -0.84 -3.40 119.26 118.77 3ng3 h ALA 89 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3ng3 h ALA 89 Cb 1.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 3ng3 h ALA 89 CO 0.84 0.00 -0.46 -1.21 0.00 0.00 0.00 179.25 178.41 3ng3 s GLU 90 N -3.34 0.57 -0.05 0.00 2.02 -1.22 -1.89 118.70 114.80 3ng3 s GLU 90 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.47 3ng3 s GLU 90 Cb 0.09 0.24 0.01 0.00 0.10 0.00 0.00 34.13 34.57 3ng3 s GLU 90 CO 0.78 -0.15 -0.11 0.42 0.02 0.00 0.00 175.26 176.22 3ng3 s ILE 91 N -2.01 0.99 -0.45 -1.63 -1.09 -0.25 -1.04 121.20 115.72 3ng3 s ILE 91 Ca -0.10 -0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 57.82 3ng3 s ILE 91 Cb -0.04 -0.90 0.12 0.00 -1.58 0.00 0.00 42.46 40.06 3ng3 s ILE 91 CO -0.01 0.31 0.31 -1.81 -1.23 0.00 0.00 174.94 172.51 3ng3 s ASP 92 N 0.50 5.59 0.41 3.58 1.11 0.11 -0.11 116.67 127.85 3ng3 s ASP 92 Ca -0.10 -1.92 -0.01 0.00 0.18 0.00 0.00 52.55 50.70 3ng3 s ASP 92 Cb -0.13 -1.97 -0.03 0.00 1.07 0.00 0.00 42.92 41.87 3ng3 s ASP 92 CO 0.02 -0.65 0.64 0.00 1.18 0.00 0.00 175.17 176.36 3ng3 s MET 93 N 1.31 3.40 -0.17 8.23 0.23 0.19 -1.92 119.30 130.57 3ng3 s MET 93 Ca 0.06 -0.23 -0.03 0.00 -1.03 0.00 0.00 55.69 54.47 3ng3 s MET 93 Cb -0.25 -2.56 -0.02 0.00 -1.53 0.00 0.00 34.83 30.47 3ng3 s MET 93 CO -0.01 -0.04 -0.07 0.08 -2.03 0.00 0.00 175.02 172.94 3ng3 s VAL 94 N -2.49 3.44 0.99 5.16 1.01 -0.75 -0.33 120.40 127.43 3ng3 s VAL 94 Ca 0.44 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 3ng3 s VAL 94 Cb -0.10 -2.51 0.18 0.00 0.00 0.00 0.00 36.38 33.95 3ng3 s VAL 94 CO 0.39 0.48 1.08 0.27 0.00 0.00 0.00 175.10 177.32 3ng3 s ILE 95 N 0.75 2.33 -0.65 2.22 -4.36 -1.08 -4.53 121.20 115.88 3ng3 s ILE 95 Ca -0.03 0.11 -0.28 0.00 -0.26 0.00 0.00 60.65 60.19 3ng3 s ILE 95 Cb -0.15 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.20 3ng3 s ILE 95 CO 0.02 -0.14 1.22 -0.62 0.24 0.00 0.00 174.94 175.66 3ng3 s ASP 96 N -3.03 6.32 0.32 4.36 -1.08 -1.24 -4.23 116.67 118.08 3ng3 s ASP 96 Ca 0.66 -0.15 0.02 0.00 -0.52 0.00 0.00 52.55 52.55 3ng3 s ASP 96 Cb -0.21 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.25 3ng3 s ASP 96 CO 0.59 -1.62 1.91 0.58 0.52 0.00 0.00 175.17 177.15 3ng3 h VAL 97 N 6.10 1.19 0.00 1.11 2.07 -1.85 -2.34 116.25 122.53 3ng3 h VAL 97 Ca -0.26 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 3ng3 h VAL 97 Cb 1.05 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3ng3 h VAL 97 CO 1.22 0.24 -0.40 1.23 0.02 0.00 0.00 177.57 179.88 3ng3 h GLY 98 N 0.88 0.00 0.96 2.17 0.00 -1.94 -0.91 103.07 104.22 3ng3 h GLY 98 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 3ng3 h GLY 98 CO -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.32 3ng3 h ALA 99 N 1.60 0.46 -0.28 3.60 0.00 -1.80 -1.25 119.26 121.59 3ng3 h ALA 99 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3ng3 h ALA 99 Cb 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ng3 h ALA 99 CO 0.05 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.80 3ng3 h ALA 100 N 0.75 0.31 -0.01 0.00 0.00 -1.08 -0.66 119.26 118.58 3ng3 h ALA 100 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ng3 h ALA 100 Cb 0.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3ng3 h ALA 100 CO 0.06 -0.31 -0.19 -0.07 0.00 0.00 0.00 179.25 178.73 3ng3 h LEU 101 N 0.22 0.01 -0.07 0.00 3.38 -1.08 -1.68 115.31 116.09 3ng3 h LEU 101 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ng3 h LEU 101 Cb 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ng3 h LEU 101 CO -0.13 0.21 -0.06 0.00 0.09 0.00 0.00 178.44 178.55 3ng3 n ALA 102 N -2.50 2.60 -0.69 1.53 0.00 -0.48 -4.89 120.51 116.08 3ng3 n ALA 102 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3ng3 n ALA 102 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3ng3 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 103 N 1.32 0.61 2.63 0.00 0.00 -0.63 -4.98 105.19 104.14 3ng3 n GLY 103 Ca 0.13 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3ng3 n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ng3 n ASP 104 N 0.79 6.59 0.18 1.61 2.03 -0.28 -4.74 116.55 122.73 3ng3 n ASP 104 Ca 0.00 -3.03 0.04 0.00 0.52 0.00 0.00 54.79 52.32 3ng3 n ASP 104 Cb 0.00 -1.46 0.35 0.00 -0.72 0.00 0.00 41.12 39.29 3ng3 n ASP 104 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ng3 h LEU 105 N 7.08 0.00 -0.87 -2.67 -0.00 -1.88 -2.27 115.31 114.70 3ng3 h LEU 105 Ca 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.47 3ng3 h LEU 105 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.08 3ng3 h LEU 105 CO 1.62 0.40 0.53 0.44 -0.00 0.00 0.00 178.44 181.43 3ng3 h ASP 106 N 0.00 1.05 -0.33 -0.43 3.32 -1.97 0.09 116.42 118.15 3ng3 h ASP 106 Ca -0.00 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 3ng3 h ASP 106 Cb 0.79 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3ng3 h ASP 106 CO 0.05 0.81 -0.18 1.23 -1.72 0.00 0.00 179.24 179.43 3ng3 h GLY 107 N 1.20 0.87 0.93 2.75 0.00 -1.88 -1.38 103.07 105.56 3ng3 h GLY 107 Ca 0.31 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3ng3 h GLY 107 CO -0.06 0.65 -0.01 -2.08 0.00 0.00 0.00 176.54 175.04 3ng3 h VAL 108 N 0.71 1.26 -0.46 4.60 2.07 -1.10 -1.46 116.25 121.88 3ng3 h VAL 108 Ca 0.11 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.67 3ng3 h VAL 108 Cb 0.69 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3ng3 h VAL 108 CO 0.05 0.34 0.18 -0.09 0.02 0.00 0.00 177.57 178.07 3ng3 h ARG 109 N 0.48 0.35 -0.03 1.57 2.43 -0.93 -1.85 114.38 116.40 3ng3 h ARG 109 Ca 0.10 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3ng3 h ARG 109 Cb 0.48 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3ng3 h ARG 109 CO 0.02 0.23 -0.32 0.00 -1.51 0.00 0.00 179.97 178.39 3ng3 h ALA 110 N 1.29 1.41 -0.30 2.80 0.00 -1.05 0.21 119.26 123.62 3ng3 h ALA 110 Ca 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3ng3 h ALA 110 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ng3 h ALA 110 CO -0.20 0.43 -0.10 0.22 0.00 0.00 0.00 179.25 179.60 3ng3 h ASP 111 N 0.05 0.60 -0.27 0.00 3.58 -0.78 -0.52 116.42 119.07 3ng3 h ASP 111 Ca 0.01 -0.38 -0.06 0.00 0.42 0.00 0.00 57.03 57.02 3ng3 h ASP 111 Cb 0.60 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 3ng3 h ASP 111 CO 0.04 0.84 -0.05 0.40 -2.88 0.00 0.00 179.24 177.60 3ng3 h ILE 112 N 0.35 1.28 -0.99 2.25 2.04 -1.00 -2.98 117.51 118.45 3ng3 h ILE 112 Ca 0.07 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 64.94 3ng3 h ILE 112 Cb 0.60 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3ng3 h ILE 112 CO 0.03 0.33 0.64 0.00 0.00 0.00 0.00 178.15 179.16 3ng3 h ALA 113 N 0.78 1.43 -0.20 1.87 0.00 -0.84 -0.43 119.26 121.88 3ng3 h ALA 113 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ng3 h ALA 113 Cb 0.52 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3ng3 h ALA 113 CO 0.02 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 3ng3 h ALA 114 N 1.47 0.15 -0.51 0.00 0.00 -0.97 -1.70 119.26 117.69 3ng3 h ALA 114 Ca 0.43 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 3ng3 h ALA 114 Cb 0.19 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ng3 h ALA 114 CO -0.17 -0.46 -0.04 0.28 0.00 0.00 0.00 179.25 178.86 3ng3 h VAL 115 N 0.02 1.27 -0.89 0.00 2.07 -1.24 -2.91 116.25 114.57 3ng3 h VAL 115 Ca 0.10 -1.15 0.11 0.00 0.82 0.00 0.00 66.70 66.58 3ng3 h VAL 115 Cb 0.14 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3ng3 h VAL 115 CO -0.19 0.41 0.52 -0.09 0.02 0.00 0.00 177.57 178.23 3ng3 h ARG 116 N 0.80 0.80 0.00 1.57 9.65 -0.79 -0.99 114.38 125.41 3ng3 h ARG 116 Ca 0.14 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3ng3 h ARG 116 Cb 0.58 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3ng3 h ARG 116 CO 0.03 0.53 0.00 0.41 2.80 0.00 0.00 179.97 183.74 3ng3 n GLY 117 N -1.33 -1.33 0.09 2.80 0.00 -0.67 -3.14 105.19 101.61 3ng3 n GLY 117 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 3ng3 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 n ALA 118 N -1.38 1.66 1.07 4.61 0.00 -0.41 -4.46 120.51 121.60 3ng3 n ALA 118 Ca 0.11 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.89 3ng3 n ALA 118 Cb 0.27 -0.79 0.18 0.00 0.00 0.00 0.00 19.45 19.11 3ng3 n ALA 118 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ng3 n VAL 119 N -2.94 0.00 0.00 0.00 0.24 -1.00 -4.57 118.33 110.06 3ng3 n VAL 119 Ca -0.17 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3ng3 n VAL 119 Cb 0.99 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 3ng3 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ng3 n GLY 120 N 1.44 2.81 0.69 7.63 0.00 -1.24 -2.79 105.19 113.74 3ng3 n GLY 120 Ca 0.08 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3ng3 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 121 N 0.00 0.44 3.72 -0.02 0.00 -1.26 -4.96 105.19 103.12 3ng3 n GLY 121 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3ng3 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 122 N -1.99 2.12 -0.01 4.61 0.00 -1.12 -4.94 121.76 120.43 3ng3 s ALA 122 Ca 0.34 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 3ng3 s ALA 122 Cb 0.21 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 3ng3 s ALA 122 CO 0.32 -1.87 1.60 0.08 0.00 0.00 0.00 175.76 175.89 3ng3 s VAL 123 N -1.99 3.44 -0.24 0.00 1.01 -0.79 -4.93 120.40 116.90 3ng3 s VAL 123 Ca 0.74 0.72 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 3ng3 s VAL 123 Cb -0.29 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3ng3 s VAL 123 CO 0.45 -0.03 0.03 -0.22 0.00 0.00 0.00 175.10 175.33 3ng3 s LEU 124 N 3.26 3.26 -0.11 3.92 2.96 -1.26 -1.09 118.68 129.63 3ng3 s LEU 124 Ca 0.71 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 3ng3 s LEU 124 Cb -0.35 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3ng3 s LEU 124 CO 0.30 -0.04 0.00 -0.54 -1.32 0.00 0.00 176.35 174.75 3ng3 s LYS 125 N 1.56 3.18 -0.23 1.98 1.02 0.84 -1.08 119.74 127.01 3ng3 s LYS 125 Ca 0.06 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 3ng3 s LYS 125 Cb -0.15 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3ng3 s LYS 125 CO 0.01 0.60 -0.02 0.08 -0.92 0.00 0.00 175.35 175.10 3ng3 s VAL 126 N -0.59 3.53 -0.43 3.17 1.01 -0.42 -0.64 120.40 126.03 3ng3 s VAL 126 Ca 0.10 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 3ng3 s VAL 126 Cb -0.12 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3ng3 s VAL 126 CO 0.02 0.36 0.96 -0.63 0.00 0.00 0.00 175.10 175.81 3ng3 s ILE 127 N 1.49 4.48 -2.18 2.22 1.01 0.55 -0.53 121.20 128.23 3ng3 s ILE 127 Ca 0.05 0.98 0.26 0.00 0.00 0.00 0.00 60.65 61.94 3ng3 s ILE 127 Cb -0.15 -4.42 0.35 0.00 0.01 0.00 0.00 42.46 38.25 3ng3 s ILE 127 CO -0.02 -0.75 1.57 1.33 0.00 0.00 0.00 174.94 177.07 3ng3 n VAL 128 N 6.32 0.00 -3.88 2.92 0.24 -0.15 -2.63 118.33 121.15 3ng3 n VAL 128 Ca 0.07 -0.22 -0.39 0.00 -2.04 0.00 0.00 64.34 61.76 3ng3 n VAL 128 Cb 0.48 0.61 0.03 0.00 -1.47 0.00 0.00 33.84 33.50 3ng3 n VAL 128 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3ng3 n GLU 129 N -0.09 -0.73 -0.18 7.34 4.07 -0.43 -4.71 120.64 125.91 3ng3 n GLU 129 Ca 0.15 0.28 0.18 0.00 -0.06 0.00 0.00 57.16 57.71 3ng3 n GLU 129 Cb 0.38 -3.28 0.54 0.00 -0.06 0.00 0.00 31.44 29.03 3ng3 n GLU 129 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3ng3 h SER 130 N -2.20 0.34 0.26 4.31 4.64 -0.61 -1.51 113.55 118.78 3ng3 h SER 130 Ca -0.68 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 60.57 3ng3 h SER 130 Cb 1.38 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3ng3 h SER 130 CO 0.49 0.16 -0.38 0.77 -0.87 0.00 0.00 176.83 177.00 3ng3 h SER 131 N 0.35 0.18 -0.00 4.97 4.64 -1.78 -1.17 113.55 120.73 3ng3 h SER 131 Ca 0.40 -0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.42 3ng3 h SER 131 Cb 1.04 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3ng3 h SER 131 CO -0.12 0.55 -0.87 0.00 -0.87 0.00 0.00 176.83 175.53 3ng3 h ALA 132 N 1.46 0.30 -0.52 5.18 0.00 -1.60 -1.52 119.26 122.56 3ng3 h ALA 132 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3ng3 h ALA 132 Cb 0.75 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ng3 h ALA 132 CO 0.06 0.71 -0.14 -0.07 0.00 0.00 0.00 179.25 179.81 3ng3 h LEU 133 N 0.44 1.02 -0.36 0.00 3.38 -1.11 -0.91 115.31 117.77 3ng3 h LEU 133 Ca -0.07 -0.35 -0.19 0.00 0.09 0.00 0.00 57.88 57.36 3ng3 h LEU 133 Cb 1.50 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3ng3 h LEU 133 CO 0.17 1.14 -0.64 -0.07 0.09 0.00 0.00 178.44 179.13 3ng3 h LEU 134 N 0.89 0.76 -0.38 1.67 3.38 -1.29 0.28 115.31 120.61 3ng3 h LEU 134 Ca 0.13 -0.44 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 3ng3 h LEU 134 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3ng3 h LEU 134 CO 0.05 1.20 -0.79 0.00 0.09 0.00 0.00 178.44 178.99 3ng3 h ALA 135 N 0.80 0.60 0.00 1.53 0.00 -1.15 -3.38 119.26 117.66 3ng3 h ALA 135 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3ng3 h ALA 135 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ng3 h ALA 135 CO 0.13 0.84 -1.69 1.28 0.00 0.00 0.00 179.25 179.81 3ng3 n LEU 136 N -3.75 0.04 0.00 0.00 4.77 -0.36 -4.98 117.00 112.72 3ng3 n LEU 136 Ca -0.04 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3ng3 n LEU 136 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3ng3 n LEU 136 CO 0.47 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3ng3 n ALA 137 N -2.03 0.00 -3.76 -1.18 0.00 0.05 -5.05 120.51 108.55 3ng3 n ALA 137 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3ng3 n ALA 137 Cb 0.41 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.88 3ng3 n ALA 137 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ng3 n ASP 138 N 0.00 -1.96 -0.18 0.00 5.68 -1.00 -4.83 116.55 114.26 3ng3 n ASP 138 Ca 0.00 -2.49 -0.09 0.00 -0.50 0.00 0.00 54.79 51.71 3ng3 n ASP 138 Cb 0.00 3.30 0.03 0.00 -1.14 0.00 0.00 41.12 43.31 3ng3 n ASP 138 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ng3 h GLU 139 N 0.00 1.02 -0.53 0.11 5.08 -1.90 -2.97 114.58 115.39 3ng3 h GLU 139 Ca -0.30 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 57.68 3ng3 h GLU 139 Cb 1.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3ng3 h GLU 139 CO 0.38 1.04 0.21 1.25 -1.00 0.00 0.00 179.01 180.89 3ng3 h HIS 140 N 0.92 0.77 -0.54 4.33 2.76 -1.97 -1.36 115.15 120.05 3ng3 h HIS 140 Ca 0.15 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3ng3 h HIS 140 Cb 0.63 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3ng3 h HIS 140 CO 0.04 0.60 0.30 1.15 -1.30 0.00 0.00 177.93 178.72 3ng3 h THR 141 N 0.76 1.18 -0.76 6.26 2.02 -1.90 0.54 112.91 121.00 3ng3 h THR 141 Ca 0.18 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 67.00 3ng3 h THR 141 Cb 0.16 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 3ng3 h THR 141 CO -0.02 0.19 0.42 0.25 0.37 0.00 0.00 175.52 176.73 3ng3 h LEU 142 N 0.72 0.59 -0.47 2.58 5.85 -1.16 -1.61 115.31 121.81 3ng3 h LEU 142 Ca 0.19 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3ng3 h LEU 142 Cb 0.04 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3ng3 h LEU 142 CO -0.03 0.35 0.05 0.58 -0.34 0.00 0.00 178.44 179.05 3ng3 h VAL 143 N 0.72 1.25 -0.88 1.05 2.07 -0.80 -2.11 116.25 117.55 3ng3 h VAL 143 Ca 0.36 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3ng3 h VAL 143 Cb 0.31 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3ng3 h VAL 143 CO -0.24 0.34 0.51 0.03 0.02 0.00 0.00 177.57 178.23 3ng3 h ARG 144 N 0.66 1.20 -0.59 1.57 3.08 -0.54 -0.96 114.38 118.80 3ng3 h ARG 144 Ca 0.14 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3ng3 h ARG 144 Cb 0.43 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3ng3 h ARG 144 CO 0.01 0.86 0.06 0.28 -1.07 0.00 0.00 179.97 180.11 3ng3 h VAL 145 N 1.21 1.26 -0.83 2.04 2.07 -1.12 -1.09 116.25 119.80 3ng3 h VAL 145 Ca 0.31 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3ng3 h VAL 145 Cb -0.02 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3ng3 h VAL 145 CO -0.06 0.38 0.54 0.00 0.02 0.00 0.00 177.57 178.46 3ng3 h ARG 147 N 0.99 0.94 -0.48 0.00 3.08 -0.69 -2.07 114.38 116.15 3ng3 h ARG 147 Ca 0.34 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 60.04 3ng3 h ARG 147 Cb 0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3ng3 h ARG 147 CO -0.11 1.07 0.16 0.00 -1.07 0.00 0.00 179.97 180.03 3ng3 h ALA 148 N 0.84 0.57 -0.18 0.04 0.00 -0.79 0.56 119.26 120.31 3ng3 h ALA 148 Ca 0.10 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ng3 h ALA 148 Cb 0.79 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ng3 h ALA 148 CO 0.07 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.14 3ng3 h ALA 149 N 1.32 0.20 -0.02 0.00 0.00 -1.15 -0.10 119.26 119.50 3ng3 h ALA 149 Ca 0.23 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ng3 h ALA 149 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ng3 h ALA 149 CO -0.24 -0.37 -0.02 1.49 0.00 0.00 0.00 179.25 180.10 3ng3 h GLU 150 N 0.14 -0.04 -0.67 0.00 4.81 -1.09 -0.75 114.58 116.99 3ng3 h GLU 150 Ca 0.08 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3ng3 h GLU 150 Cb 0.05 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3ng3 h GLU 150 CO -0.08 -0.02 0.44 -0.44 -0.73 0.00 0.00 179.01 178.17 3ng3 h ASP 151 N -0.04 0.65 0.25 1.04 5.19 -0.70 -1.65 116.42 121.18 3ng3 h ASP 151 Ca 0.02 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3ng3 h ASP 151 Cb 0.06 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.42 3ng3 h ASP 151 CO -0.04 0.44 -0.05 0.00 -3.12 0.00 0.00 179.24 176.47 3ng3 n ALA 152 N -2.45 2.67 -0.16 3.45 0.00 -0.07 -4.92 120.51 119.04 3ng3 n ALA 152 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3ng3 n ALA 152 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3ng3 n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 153 N 1.19 0.91 3.74 0.00 0.00 -0.62 -4.40 105.19 106.02 3ng3 n GLY 153 Ca 0.18 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ng3 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 154 N -2.00 2.55 -0.12 4.61 0.00 -0.34 -4.93 121.76 121.54 3ng3 s ALA 154 Ca 0.00 1.20 0.17 0.00 0.00 0.00 0.00 51.96 53.33 3ng3 s ALA 154 Cb 0.00 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 3ng3 s ALA 154 CO 0.00 -1.43 0.69 -0.25 0.00 0.00 0.00 175.76 174.77 3ng3 n ASP 155 N -1.56 0.69 -3.99 0.00 8.00 -0.24 -4.71 116.55 114.74 3ng3 n ASP 155 Ca 0.14 0.30 -0.10 0.00 0.71 0.00 0.00 54.79 55.84 3ng3 n ASP 155 Cb 0.47 0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 41.85 3ng3 n ASP 155 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ng3 s PHE 156 N -2.89 0.35 0.19 1.24 0.08 -0.88 -0.99 117.98 115.07 3ng3 s PHE 156 Ca -0.04 -0.50 0.06 0.00 0.12 0.00 0.00 56.93 56.57 3ng3 s PHE 156 Cb 0.09 -0.23 -0.04 0.00 -0.57 0.00 0.00 43.02 42.27 3ng3 s PHE 156 CO 0.82 -0.16 0.10 0.14 -0.10 0.00 0.00 175.22 176.02 3ng3 s VAL 157 N -1.36 4.19 -0.12 -0.44 -7.23 -0.20 -1.30 120.40 113.93 3ng3 s VAL 157 Ca -0.14 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 3ng3 s VAL 157 Cb -0.09 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.72 3ng3 s VAL 157 CO -0.01 -0.16 0.32 -0.75 -0.31 0.00 0.00 175.10 174.19 3ng3 s LYS 158 N -3.20 0.37 -0.03 4.82 2.20 0.31 -0.45 119.74 123.76 3ng3 s LYS 158 Ca 0.30 0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 56.12 3ng3 s LYS 158 Cb -0.09 0.17 -0.19 0.00 -1.51 0.00 0.00 37.83 36.21 3ng3 s LYS 158 CO 0.22 -0.05 1.14 1.79 -0.36 0.00 0.00 175.35 178.09 3ng3 h THR 159 N 4.69 1.18 -2.85 3.43 1.35 -1.56 -0.38 112.91 118.77 3ng3 h THR 159 Ca -0.27 -1.12 -0.06 0.00 -0.55 0.00 0.00 66.41 64.41 3ng3 h THR 159 Cb 1.19 1.89 -0.16 0.00 -1.73 0.00 0.00 68.15 69.34 3ng3 h THR 159 CO 0.31 0.27 0.03 -0.44 -0.25 0.00 0.00 175.52 175.43 3ng3 s SER 160 N -5.58 -0.42 0.27 5.36 0.01 -1.26 0.12 113.70 112.21 3ng3 s SER 160 Ca -0.15 0.11 0.17 0.00 1.31 0.00 0.00 55.95 57.40 3ng3 s SER 160 Cb 0.01 0.49 0.08 0.00 0.21 0.00 0.00 66.02 66.81 3ng3 s SER 160 CO 0.61 -0.74 1.36 0.71 0.41 0.00 0.00 173.24 175.59 3ng3 h THR 161 N 2.73 0.59 0.00 1.44 1.35 -1.89 -3.42 112.91 113.71 3ng3 h THR 161 Ca -0.31 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3ng3 h THR 161 Cb 1.22 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 3ng3 h THR 161 CO 0.42 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 3ng3 n GLY 162 N 1.22 0.53 0.00 5.82 0.00 -1.26 -4.88 105.19 106.63 3ng3 n GLY 162 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ng3 n GLY 162 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ng3 n PHE 163 N -2.83 0.00 -3.26 1.61 3.72 -1.26 -4.92 117.46 110.51 3ng3 n PHE 163 Ca 0.00 -0.05 -0.39 0.00 -0.05 0.00 0.00 57.45 56.97 3ng3 n PHE 163 Cb 0.02 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 3ng3 n PHE 163 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3ng3 s HIS 164 N -0.10 3.74 0.21 1.38 2.46 -1.26 -4.96 115.29 116.76 3ng3 s HIS 164 Ca 0.00 1.22 0.35 0.00 0.47 0.00 0.00 55.06 57.10 3ng3 s HIS 164 Cb 0.00 -2.53 1.71 0.00 -0.13 0.00 0.00 32.58 31.63 3ng3 s HIS 164 CO 0.00 0.48 2.06 -1.35 -2.47 0.00 0.00 174.74 173.46 3ng3 h PRO 165 N 5.07 0.00 0.00 2.88 0.11 -2.02 -0.92 132.00 137.12 3ng3 h PRO 165 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ng3 h PRO 165 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ng3 h PRO 165 CO 0.66 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 3ng3 n SER 166 N -2.86 0.00 0.00 -2.05 3.41 -1.26 -4.99 113.62 105.87 3ng3 n SER 166 Ca -0.01 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3ng3 n SER 166 Cb 0.17 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3ng3 n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng3 n GLY 167 N 0.22 0.20 0.00 5.00 0.00 -0.35 -4.78 105.19 105.48 3ng3 n GLY 167 Ca 0.05 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3ng3 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 168 N 0.00 5.57 3.78 -0.02 0.00 -1.26 -4.34 105.19 108.92 3ng3 n GLY 168 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 3ng3 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 169 N -2.00 3.59 0.13 4.61 0.00 -0.64 -4.42 121.76 123.03 3ng3 s ALA 169 Ca 0.00 1.55 0.06 0.00 0.00 0.00 0.00 51.96 53.57 3ng3 s ALA 169 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3ng3 s ALA 169 CO 0.00 -1.02 -0.14 -1.54 0.00 0.00 0.00 175.76 173.06 3ng3 s SER 170 N -0.09 2.06 0.21 0.00 1.04 -1.26 -4.96 113.70 110.70 3ng3 s SER 170 Ca 0.54 -0.85 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 3ng3 s SER 170 Cb -0.46 -0.07 0.23 0.00 0.10 0.00 0.00 66.02 65.82 3ng3 s SER 170 CO 0.61 -0.16 1.79 0.58 0.98 0.00 0.00 173.24 177.04 3ng3 h VAL 171 N 3.36 0.93 -0.02 5.02 2.07 -1.96 -1.75 116.25 123.90 3ng3 h VAL 171 Ca -0.40 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3ng3 h VAL 171 Cb 1.20 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3ng3 h VAL 171 CO 0.53 0.11 0.01 -0.09 0.02 0.00 0.00 177.57 178.15 3ng3 h ARG 172 N 0.61 0.03 -0.52 1.57 9.65 -1.98 -0.57 114.38 123.17 3ng3 h ARG 172 Ca 0.29 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.25 3ng3 h ARG 172 Cb 0.21 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.72 3ng3 h ARG 172 CO -0.20 0.03 0.15 0.00 2.80 0.00 0.00 179.97 182.74 3ng3 h ALA 173 N 1.00 0.61 -0.47 2.80 0.00 -1.91 -1.62 119.26 119.67 3ng3 h ALA 173 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ng3 h ALA 173 Cb 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ng3 h ALA 173 CO -0.00 -0.26 0.13 0.28 0.00 0.00 0.00 179.25 179.40 3ng3 h VAL 174 N 0.30 1.23 -0.35 0.00 2.07 -0.97 -1.49 116.25 117.04 3ng3 h VAL 174 Ca 0.26 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3ng3 h VAL 174 Cb 0.32 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3ng3 h VAL 174 CO -0.30 0.28 0.22 0.00 0.02 0.00 0.00 177.57 177.80 3ng3 h ALA 175 N 0.99 0.45 -0.34 1.67 0.00 -0.91 -1.04 119.26 120.08 3ng3 h ALA 175 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ng3 h ALA 175 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ng3 h ALA 175 CO -0.00 -0.07 0.22 -0.07 0.00 0.00 0.00 179.25 179.34 3ng3 h LEU 176 N 0.47 0.39 -0.36 0.00 3.38 -1.04 -1.67 115.31 116.49 3ng3 h LEU 176 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3ng3 h LEU 176 Cb -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ng3 h LEU 176 CO -0.03 0.29 0.09 0.24 0.09 0.00 0.00 178.44 179.12 3ng3 h MET 177 N 0.46 0.57 -0.57 1.13 2.86 -1.13 -1.46 114.93 116.78 3ng3 h MET 177 Ca 0.12 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3ng3 h MET 177 Cb -0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3ng3 h MET 177 CO -0.03 0.61 0.12 0.00 1.06 0.00 0.00 176.91 178.68 3ng3 h ALA 178 N 0.93 1.14 -0.32 6.32 0.00 -1.11 -2.08 119.26 124.14 3ng3 h ALA 178 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ng3 h ALA 178 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ng3 h ALA 178 CO 0.00 0.58 0.19 1.49 0.00 0.00 0.00 179.25 181.51 3ng3 h GLU 179 N 0.86 0.45 -0.46 0.00 4.81 -1.08 -0.88 114.58 118.27 3ng3 h GLU 179 Ca 0.18 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3ng3 h GLU 179 Cb 0.34 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3ng3 h GLU 179 CO 0.00 0.36 -0.01 0.00 -0.73 0.00 0.00 179.01 178.63 3ng3 h ALA 180 N 1.06 1.12 0.00 2.92 0.00 -0.73 -3.02 119.26 120.60 3ng3 h ALA 180 Ca 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ng3 h ALA 180 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ng3 h ALA 180 CO -0.02 0.56 -1.21 1.33 0.00 0.00 0.00 179.25 179.92 3ng3 n VAL 181 N -4.21 0.50 -3.83 0.00 0.24 -0.83 -4.91 118.33 105.29 3ng3 n VAL 181 Ca 0.02 -0.54 -0.29 0.00 -2.04 0.00 0.00 64.34 61.50 3ng3 n VAL 181 Cb 0.30 -0.28 0.04 0.00 -1.47 0.00 0.00 33.84 32.44 3ng3 n VAL 181 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ng3 n GLY 182 N 1.20 -0.51 2.57 7.63 0.00 -0.34 -1.24 105.19 114.50 3ng3 n GLY 182 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ng3 n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 183 N -1.78 0.54 0.08 -0.02 0.00 -1.26 -4.88 105.19 97.88 3ng3 n GLY 183 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3ng3 n GLY 183 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ng3 h ARG 184 N 1.37 0.03 -6.38 1.61 3.08 -1.56 -3.46 114.38 109.08 3ng3 h ARG 184 Ca 0.00 -0.06 -0.62 0.00 0.07 0.00 0.00 59.98 59.38 3ng3 h ARG 184 Cb 0.13 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.06 3ng3 h ARG 184 CO 0.00 0.65 -0.74 -0.51 -1.07 0.00 0.00 179.97 178.30 3ng3 s LEU 185 N -6.29 2.81 0.73 3.04 1.02 -1.26 -5.01 118.68 113.72 3ng3 s LEU 185 Ca -0.05 -0.76 -0.11 0.00 0.02 0.00 0.00 54.13 53.23 3ng3 s LEU 185 Cb 0.08 -1.43 0.03 0.00 0.02 0.00 0.00 46.19 44.89 3ng3 s LEU 185 CO 0.82 0.07 1.07 -0.83 0.02 0.00 0.00 176.35 177.50 3ng3 s GLY 186 N -3.12 1.66 -0.16 -3.19 0.00 -0.16 -4.84 107.32 97.51 3ng3 s GLY 186 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3ng3 s GLY 186 CO 0.15 0.41 -0.11 0.14 0.00 0.00 0.00 173.10 173.68 3ng3 s VAL 187 N -3.03 1.47 -0.23 1.40 1.01 -1.26 -1.04 120.40 118.72 3ng3 s VAL 187 Ca 0.59 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3ng3 s VAL 187 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3ng3 s VAL 187 CO 0.55 0.35 0.10 -0.75 0.00 0.00 0.00 175.10 175.35 3ng3 s LYS 188 N 1.51 3.85 -0.11 2.72 2.20 0.41 -0.40 119.74 129.91 3ng3 s LYS 188 Ca 0.03 -0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 55.12 3ng3 s LYS 188 Cb -0.14 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 3ng3 s LYS 188 CO -0.09 -0.02 0.30 0.00 -0.36 0.00 0.00 175.35 175.18 3ng3 s ALA 189 N 1.20 3.66 0.05 3.13 0.00 -0.51 -1.53 121.76 127.77 3ng3 s ALA 189 Ca 0.05 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 3ng3 s ALA 189 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 23.12 20.70 3ng3 s ALA 189 CO 0.04 0.27 0.52 -1.54 0.00 0.00 0.00 175.76 175.05 3ng3 s SER 190 N -0.17 -0.43 0.00 0.00 1.04 -1.26 -0.49 113.70 112.38 3ng3 s SER 190 Ca 0.18 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.78 3ng3 s SER 190 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3ng3 s SER 190 CO 0.06 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3ng3 n GLY 191 N 0.40 -1.02 2.51 7.32 0.00 -1.26 -1.94 105.19 111.21 3ng3 n GLY 191 Ca -0.18 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3ng3 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 192 N 1.47 -0.11 3.40 -0.02 0.00 -1.26 -1.62 105.19 107.05 3ng3 n GLY 192 Ca 0.00 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 3ng3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ng3 s ILE 193 N -2.90 4.84 -0.06 -0.61 1.01 -1.26 -4.86 121.20 117.36 3ng3 s ILE 193 Ca 0.16 -1.34 0.20 0.00 0.00 0.00 0.00 60.65 59.67 3ng3 s ILE 193 Cb -0.07 -4.62 -0.30 0.00 0.01 0.00 0.00 42.46 37.48 3ng3 s ILE 193 CO 0.20 -1.29 0.38 0.54 0.00 0.00 0.00 174.94 174.77 3ng3 n ARG 194 N 6.23 0.67 -4.22 2.79 1.74 -1.26 -4.92 116.66 117.69 3ng3 n ARG 194 Ca 0.07 -0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 56.87 3ng3 n ARG 194 Cb 0.46 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 3ng3 n ARG 194 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ng3 s THR 195 N -3.25 0.94 0.36 0.55 -4.23 -1.26 -4.82 115.64 103.93 3ng3 s THR 195 Ca -0.08 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.51 3ng3 s THR 195 Cb 0.12 -1.81 0.32 0.00 1.34 0.00 0.00 72.50 72.47 3ng3 s THR 195 CO 0.84 -0.77 1.88 0.00 -0.54 0.00 0.00 174.62 176.03 3ng3 h ALA 196 N 2.84 1.82 -0.57 3.99 0.00 -1.85 -1.62 119.26 123.88 3ng3 h ALA 196 Ca -0.36 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3ng3 h ALA 196 Cb 1.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3ng3 h ALA 196 CO 0.64 -0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.95 3ng3 h ALA 197 N 1.60 0.76 -0.15 0.00 0.00 -1.92 -0.85 119.26 118.69 3ng3 h ALA 197 Ca 0.43 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ng3 h ALA 197 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ng3 h ALA 197 CO -0.19 0.49 0.03 -0.44 0.00 0.00 0.00 179.25 179.13 3ng3 h ASP 198 N 0.83 0.00 -0.04 0.00 3.32 -1.78 -1.30 116.42 117.46 3ng3 h ASP 198 Ca 0.18 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3ng3 h ASP 198 Cb 0.38 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3ng3 h ASP 198 CO 0.01 0.03 -0.09 0.00 -1.72 0.00 0.00 179.24 177.47 3ng3 h ALA 199 N 1.11 -0.06 -0.20 3.45 0.00 -1.01 -1.76 119.26 120.80 3ng3 h ALA 199 Ca 0.07 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3ng3 h ALA 199 Cb 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ng3 h ALA 199 CO -0.09 -0.57 -0.21 -0.07 0.00 0.00 0.00 179.25 178.31 3ng3 h LEU 200 N -0.13 0.34 -0.86 0.00 3.38 -1.11 -1.16 115.31 115.77 3ng3 h LEU 200 Ca 0.05 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3ng3 h LEU 200 Cb 0.19 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ng3 h LEU 200 CO -0.12 0.57 -0.05 0.00 0.09 0.00 0.00 178.44 178.93 3ng3 h ALA 201 N 1.47 1.04 -0.31 1.53 0.00 -0.75 -0.43 119.26 121.80 3ng3 h ALA 201 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3ng3 h ALA 201 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ng3 h ALA 201 CO 0.04 0.59 -0.03 0.52 0.00 0.00 0.00 179.25 180.37 3ng3 h MET 202 N 0.73 0.58 -0.72 0.00 2.86 -0.87 -2.02 114.93 115.48 3ng3 h MET 202 Ca 0.13 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3ng3 h MET 202 Cb 0.52 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3ng3 h MET 202 CO 0.03 0.73 0.43 -0.07 1.06 0.00 0.00 176.91 179.09 3ng3 h LEU 203 N 0.36 0.87 -1.61 1.22 3.38 -1.00 -2.04 115.31 116.49 3ng3 h LEU 203 Ca 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ng3 h LEU 203 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ng3 h LEU 203 CO 0.02 0.69 -0.20 0.44 0.09 0.00 0.00 178.44 179.48 3ng3 h ASP 204 N 0.99 0.00 0.42 -0.43 3.32 -1.02 -1.98 116.42 117.72 3ng3 h ASP 204 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3ng3 h ASP 204 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ng3 h ASP 204 CO -0.05 0.20 -0.07 0.00 -1.72 0.00 0.00 179.24 177.60 3ng3 n ALA 205 N -2.33 2.67 0.00 3.45 0.00 -0.77 -4.91 120.51 118.63 3ng3 n ALA 205 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3ng3 n ALA 205 Cb 0.31 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3ng3 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 206 N 1.28 1.05 3.77 0.00 0.00 -0.74 -3.65 105.19 106.89 3ng3 n GLY 206 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3ng3 n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 207 N -2.00 3.23 -0.10 4.61 0.00 -0.98 -4.61 121.76 121.91 3ng3 s ALA 207 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3ng3 s ALA 207 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3ng3 s ALA 207 CO 0.00 -0.68 0.88 0.25 0.00 0.00 0.00 175.76 176.21 3ng3 n THR 208 N 0.17 0.71 -3.55 0.00 -2.24 0.46 -4.57 114.28 105.27 3ng3 n THR 208 Ca 0.04 -0.86 -0.17 0.00 -2.27 0.00 0.00 64.05 60.79 3ng3 n THR 208 Cb 0.45 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 3ng3 n THR 208 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ng3 s ARG 209 N -0.74 0.98 -0.05 -0.78 6.06 -1.15 -4.91 118.95 118.35 3ng3 s ARG 209 Ca 0.02 0.41 0.03 0.00 -2.50 0.00 0.00 55.73 53.69 3ng3 s ARG 209 Cb 0.01 0.47 0.01 0.00 0.06 0.00 0.00 34.95 35.49 3ng3 s ARG 209 CO 0.01 -0.27 -0.14 -0.51 -2.50 0.00 0.00 175.30 171.90 3ng3 s LEU 210 N -0.84 1.76 -0.32 -0.88 1.43 0.22 -1.42 118.68 118.65 3ng3 s LEU 210 Ca -0.08 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 3ng3 s LEU 210 Cb -0.01 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 3ng3 s LEU 210 CO 0.07 0.08 0.29 -0.83 0.23 0.00 0.00 176.35 176.19 3ng3 s GLY 211 N 0.38 1.92 0.07 -3.19 0.00 0.35 -0.40 107.32 106.45 3ng3 s GLY 211 Ca -0.09 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.49 3ng3 s GLY 211 CO 0.03 0.85 -0.11 1.08 0.00 0.00 0.00 173.10 174.95 3ng3 s LEU 212 N 1.88 2.29 -0.21 0.66 1.43 -0.89 -4.19 118.68 119.65 3ng3 s LEU 212 Ca 0.09 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 3ng3 s LEU 212 Cb -0.17 -0.37 -0.10 0.00 0.03 0.00 0.00 46.19 45.58 3ng3 s LEU 212 CO 0.11 -0.15 -0.26 -1.54 0.23 0.00 0.00 176.35 174.74 3ng3 n SER 213 N 1.21 1.69 -2.96 2.29 3.41 -1.26 -0.70 113.62 117.30 3ng3 n SER 213 Ca -0.21 0.19 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 3ng3 n SER 213 Cb 0.55 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 3ng3 n SER 213 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng3 n GLY 214 N 1.81 4.51 0.19 5.00 0.00 -1.26 -4.73 105.19 110.71 3ng3 n GLY 214 Ca -0.41 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 43.73 3ng3 n GLY 214 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ng3 h THR 215 N 2.40 1.12 -0.55 2.61 2.02 -1.97 -2.57 112.91 115.97 3ng3 h THR 215 Ca 0.57 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 67.56 3ng3 h THR 215 Cb 0.59 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3ng3 h THR 215 CO 1.18 0.12 0.26 -0.09 0.37 0.00 0.00 175.52 177.36 3ng3 h ARG 216 N 0.59 0.48 -0.02 6.66 2.43 -2.00 -0.70 114.38 121.82 3ng3 h ARG 216 Ca 0.16 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3ng3 h ARG 216 Cb -0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3ng3 h ARG 216 CO -0.03 0.32 -0.38 0.00 -1.51 0.00 0.00 179.97 178.37 3ng3 h ALA 217 N 1.32 1.33 -0.03 2.80 0.00 -1.92 0.13 119.26 122.89 3ng3 h ALA 217 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ng3 h ALA 217 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ng3 h ALA 217 CO -0.20 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 3ng3 h VAL 218 N 0.04 1.33 -0.40 0.00 2.07 -1.01 -3.20 116.25 115.09 3ng3 h VAL 218 Ca 0.00 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3ng3 h VAL 218 Cb 0.69 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3ng3 h VAL 218 CO 0.05 0.27 0.06 -0.07 0.02 0.00 0.00 177.57 177.91 3ng3 h LEU 219 N -0.34 0.56 -2.19 2.57 3.38 -0.80 -2.48 115.31 116.01 3ng3 h LEU 219 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ng3 h LEU 219 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ng3 h LEU 219 CO 0.00 0.59 -0.06 0.44 0.09 0.00 0.00 178.44 179.50 3ng3 h ASP 220 N 0.59 0.00 0.29 -0.43 3.32 -1.02 -2.28 116.42 116.89 3ng3 h ASP 220 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ng3 h ASP 220 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ng3 h ASP 220 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 3ng3 n GLY 221 N -0.84 -0.86 0.52 2.75 0.00 -0.93 -5.09 105.19 100.73 3ng3 n GLY 221 Ca -0.02 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3ng3 n GLY 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36