#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f29 s LEU 6 N 0.00 4.38 -0.15 3.41 1.43 -1.26 -5.03 118.68 121.47 3f29 s LEU 6 Ca 0.00 2.73 -0.03 0.00 -1.03 0.00 0.00 54.13 55.80 3f29 s LEU 6 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3f29 s LEU 6 CO 0.00 -0.70 -0.06 -0.54 0.23 0.00 0.00 176.35 175.27 3f29 s LYS 7 N -0.82 3.58 0.60 1.70 -0.14 -1.26 -5.10 119.74 118.30 3f29 s LYS 7 Ca 0.57 -0.56 -0.18 0.00 -1.36 0.00 0.00 55.97 54.44 3f29 s LYS 7 Cb -0.42 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 3f29 s LYS 7 CO 0.47 0.25 1.16 -1.25 -0.76 0.00 0.00 175.35 175.22 3f29 s PRO 8 N 0.33 3.00 0.33 -1.68 0.04 -1.26 -4.84 135.00 130.92 3f29 s PRO 8 Ca -0.06 1.65 0.07 0.00 0.04 0.00 0.00 61.00 62.70 3f29 s PRO 8 Cb -0.15 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3f29 s PRO 8 CO 0.04 -1.14 0.38 0.14 0.04 0.00 0.00 177.00 176.45 3f29 s VAL 9 N -1.85 3.84 -0.73 -0.36 -7.23 -1.26 -5.04 120.40 107.76 3f29 s VAL 9 Ca 0.73 -1.18 -0.27 0.00 -1.81 0.00 0.00 61.98 59.46 3f29 s VAL 9 Cb -0.26 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.39 3f29 s VAL 9 CO 0.34 -0.17 1.41 -0.62 -0.31 0.00 0.00 175.10 175.74 3f29 s ASP 10 N -4.08 6.00 0.38 4.85 2.15 -1.26 -4.86 116.67 119.85 3f29 s ASP 10 Ca 0.43 -0.36 0.09 0.00 0.43 0.00 0.00 52.55 53.14 3f29 s ASP 10 Cb -0.08 -2.55 0.76 0.00 -0.30 0.00 0.00 42.92 40.75 3f29 s ASP 10 CO 0.29 -1.93 1.90 0.00 -0.17 0.00 0.00 175.17 175.26 3f29 h ALA 11 N 10.95 1.48 -0.92 3.66 0.00 -2.00 -2.73 119.26 129.71 3f29 h ALA 11 Ca -0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3f29 h ALA 11 Cb 1.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3f29 h ALA 11 CO 1.28 0.37 0.55 0.52 0.00 0.00 0.00 179.25 181.96 3f29 h MET 12 N 0.23 1.25 -0.40 0.00 2.86 -1.99 -0.01 114.93 116.87 3f29 h MET 12 Ca 0.05 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3f29 h MET 12 Cb 0.40 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3f29 h MET 12 CO 0.02 0.87 0.24 0.37 1.06 0.00 0.00 176.91 179.47 3f29 h GLN 13 N 1.26 0.46 -0.38 1.72 4.15 -1.90 -2.23 115.11 118.20 3f29 h GLN 13 Ca 0.33 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.78 3f29 h GLN 13 Cb -0.05 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.49 3f29 h GLN 13 CO -0.06 0.31 0.07 0.00 -1.93 0.00 0.00 178.83 177.21 3f29 h PHE 15 N 0.19 0.00 0.00 0.00 0.04 -0.46 -1.23 116.94 115.48 3f29 h PHE 15 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3f29 h PHE 15 Cb 0.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 3f29 h PHE 15 CO -0.20 0.03 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.08 3f29 h ASP 16 N 0.00 0.00 -0.00 2.17 3.32 -1.07 -2.88 116.42 117.95 3f29 h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3f29 h ASP 16 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3f29 h ASP 16 CO 0.00 0.02 -0.04 0.00 -1.72 0.00 0.00 179.24 177.50 3f29 n HIS 18 N -0.28 1.99 0.05 0.00 8.25 -0.71 -4.92 115.22 119.61 3f29 n HIS 18 Ca 0.01 -3.89 -0.01 0.00 -0.26 0.00 0.00 57.72 53.57 3f29 n HIS 18 Cb 0.06 -0.46 0.28 0.00 1.12 0.00 0.00 29.99 31.00 3f29 n HIS 18 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3f29 h THR 19 N 2.20 1.23 -0.21 1.59 2.02 -1.87 -0.82 112.91 117.05 3f29 h THR 19 Ca 0.12 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3f29 h THR 19 Cb 0.74 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3f29 h THR 19 CO 0.66 0.33 0.11 -0.61 0.37 0.00 0.00 175.52 176.37 3f29 h GLN 20 N 0.36 0.31 -0.59 6.66 4.15 -1.92 -1.10 115.11 122.97 3f29 h GLN 20 Ca 0.06 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 3f29 h GLN 20 Cb 0.51 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3f29 h GLN 20 CO 0.03 0.31 0.09 0.82 -1.93 0.00 0.00 178.83 178.15 3f29 h ILE 21 N 0.22 1.26 -0.49 2.39 1.08 -1.92 -3.07 117.51 116.99 3f29 h ILE 21 Ca 0.07 -1.01 0.08 0.00 -0.39 0.00 0.00 64.86 63.62 3f29 h ILE 21 Cb 0.10 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 3f29 h ILE 21 CO -0.01 0.37 0.09 -0.08 -0.69 0.00 0.00 178.15 177.83 3f29 h GLU 22 N 0.89 0.22 0.00 2.37 4.81 -0.90 0.23 114.58 122.20 3f29 h GLU 22 Ca 0.18 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3f29 h GLU 22 Cb 0.44 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3f29 h GLU 22 CO 0.01 0.15 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.82 3f29 h ASP 23 N 0.23 0.00 0.04 1.04 3.32 -1.12 -1.65 116.42 118.28 3f29 h ASP 23 Ca 0.24 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 3f29 h ASP 23 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3f29 h ASP 23 CO -0.32 0.18 -0.78 0.24 -1.72 0.00 0.00 179.24 176.84 3f29 h MET 24 N 0.00 0.09 -0.30 3.56 2.86 -1.25 -3.39 114.93 116.50 3f29 h MET 24 Ca -0.00 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 3f29 h MET 24 Cb 0.38 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3f29 h MET 24 CO 0.02 1.08 -0.14 1.25 1.06 0.00 0.00 176.91 180.19 3f29 h HIS 25 N -0.76 0.72 0.00 -0.22 -0.00 -0.48 -2.93 115.15 111.48 3f29 h HIS 25 Ca -0.19 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3f29 h HIS 25 Cb 1.34 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3f29 h HIS 25 CO 0.18 0.85 0.00 1.79 -0.00 0.00 0.00 177.93 180.75 3f29 h THR 26 N 0.39 0.00 0.00 6.26 1.35 -1.52 -3.08 112.91 116.32 3f29 h THR 26 Ca 0.07 -0.42 -0.37 0.00 -0.55 0.00 0.00 66.41 65.14 3f29 h THR 26 Cb 0.65 1.42 -0.07 0.00 -1.73 0.00 0.00 68.15 68.42 3f29 h THR 26 CO 0.04 0.00 -2.36 0.52 -0.25 0.00 0.00 175.52 173.47 3f29 n VAL 27 N -3.08 1.45 -1.22 6.82 0.31 -1.19 -4.80 118.33 116.62 3f29 n VAL 27 Ca -0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 3f29 n VAL 27 Cb 0.26 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 3f29 n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f29 n GLY 28 N 1.92 -0.34 0.19 2.92 0.00 -1.11 -4.95 105.19 103.82 3f29 n GLY 28 Ca -0.36 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.01 3f29 n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f29 n LYS 29 N -0.74 1.26 -0.58 1.61 5.02 -1.04 -2.96 118.16 120.72 3f29 n LYS 29 Ca 0.00 -0.39 0.08 0.00 -2.02 0.00 0.00 58.31 55.98 3f29 n LYS 29 Cb 0.00 -1.39 0.31 0.00 -0.02 0.00 0.00 35.03 33.94 3f29 n LYS 29 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3f29 n HIS 30 N -0.44 1.33 0.11 2.13 8.25 -1.26 -4.68 115.22 120.67 3f29 n HIS 30 Ca 0.17 -0.75 0.17 0.00 -0.26 0.00 0.00 57.72 57.05 3f29 n HIS 30 Cb 0.18 -0.34 0.73 0.00 1.12 0.00 0.00 29.99 31.68 3f29 n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f29 h ALA 31 N 2.87 2.17 -0.03 -1.41 0.00 -1.44 -0.59 119.26 120.84 3f29 h ALA 31 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f29 h ALA 31 Cb 1.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3f29 h ALA 31 CO 0.28 -0.44 -0.00 0.25 0.00 0.00 0.00 179.25 179.34 3f29 n THR 32 N -4.17 0.00 -3.09 0.00 -2.24 -1.26 -4.87 114.28 98.64 3f29 n THR 32 Ca 0.05 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 3f29 n THR 32 Cb 0.44 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 3f29 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3f29 s VAL 33 N -2.01 4.84 0.46 2.28 1.01 -0.23 -5.02 120.40 121.73 3f29 s VAL 33 Ca 0.31 0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 3f29 s VAL 33 Cb 0.20 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 3f29 s VAL 33 CO 0.31 -0.45 1.13 0.21 0.00 0.00 0.00 175.10 176.30 3f29 s ASN 34 N 1.90 6.23 0.54 3.32 3.84 -1.26 -4.91 114.94 124.59 3f29 s ASN 34 Ca 0.24 2.21 0.26 0.00 0.21 0.00 0.00 52.86 55.79 3f29 s ASN 34 Cb -0.14 -2.59 1.43 0.00 -0.55 0.00 0.00 41.25 39.39 3f29 s ASN 34 CO 0.17 -0.87 1.99 0.00 -2.79 0.00 0.00 177.10 175.60 3f29 h VAL 36 N 0.00 0.01 0.00 0.00 3.04 -1.89 0.22 116.25 117.63 3f29 h VAL 36 Ca 0.25 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.78 3f29 h VAL 36 Cb 1.02 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3f29 h VAL 36 CO -0.00 0.00 -0.05 0.45 -1.01 0.00 0.00 177.57 176.96 3f29 h HIS 37 N 0.00 0.00 0.00 3.17 3.86 -1.77 -3.34 115.15 117.07 3f29 h HIS 37 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3f29 h HIS 37 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3f29 h HIS 37 CO 0.00 0.05 0.00 0.00 0.86 0.00 0.00 177.93 178.84 3f29 s HIS 39 N -0.13 1.15 -0.40 0.00 3.76 -0.03 0.24 115.29 119.88 3f29 s HIS 39 Ca 0.00 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 3f29 s HIS 39 Cb 0.00 -0.75 0.10 0.00 1.11 0.00 0.00 32.58 33.04 3f29 s HIS 39 CO 0.00 -0.04 0.19 0.34 -0.85 0.00 0.00 174.74 174.38 3f29 s ASP 40 N -0.22 5.27 -0.05 1.40 2.15 0.20 -4.26 116.67 121.17 3f29 s ASP 40 Ca 0.03 -1.85 0.07 0.00 0.43 0.00 0.00 52.55 51.24 3f29 s ASP 40 Cb -0.06 -1.84 0.10 0.00 -0.30 0.00 0.00 42.92 40.83 3f29 s ASP 40 CO -0.00 -0.51 1.04 0.00 -0.17 0.00 0.00 175.17 175.53 3f29 n ALA 41 N 4.65 2.06 0.10 3.66 0.00 -1.26 -1.18 120.51 128.54 3f29 n ALA 41 Ca -0.05 -1.57 -0.12 0.00 0.00 0.00 0.00 53.44 51.70 3f29 n ALA 41 Cb 0.42 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 3f29 n ALA 41 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3f29 h THR 42 N 0.21 0.39 -0.33 0.00 2.02 -1.99 0.60 112.91 113.81 3f29 h THR 42 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3f29 h THR 42 Cb 0.71 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3f29 h THR 42 CO 0.00 0.00 -0.10 -0.33 0.37 0.00 0.00 175.52 175.46 3f29 h GLU 43 N -0.47 0.56 0.11 6.66 5.08 -1.95 -2.28 114.58 122.29 3f29 h GLU 43 Ca 0.04 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3f29 h GLU 43 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3f29 h GLU 43 CO -0.18 0.65 -0.21 1.25 -1.00 0.00 0.00 179.01 179.52 3f29 h HIS 44 N 0.52 -0.54 -0.49 4.33 2.76 -1.60 -2.53 115.15 117.59 3f29 h HIS 44 Ca 0.10 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3f29 h HIS 44 Cb 0.48 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.64 3f29 h HIS 44 CO 0.02 -0.30 0.20 0.28 -1.30 0.00 0.00 177.93 176.83 3f29 h VAL 45 N -0.39 1.18 0.00 5.26 2.07 -0.75 0.15 116.25 123.77 3f29 h VAL 45 Ca 0.03 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3f29 h VAL 45 Cb 0.41 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3f29 h VAL 45 CO -0.12 0.22 -0.11 -0.33 0.02 0.00 0.00 177.57 177.26 3f29 h GLU 46 N 0.69 0.00 0.00 1.57 5.08 -1.16 -3.35 114.58 117.42 3f29 h GLU 46 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3f29 h GLU 46 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3f29 h GLU 46 CO -0.02 0.11 -0.36 0.25 -1.00 0.00 0.00 179.01 177.99 3f29 n THR 47 N -3.72 0.00 -2.23 1.13 -2.24 -0.77 -5.07 114.28 101.38 3f29 n THR 47 Ca -0.02 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 3f29 n THR 47 Cb 0.22 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 3f29 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f29 s ALA 48 N -1.23 3.04 0.42 6.98 0.00 0.45 -4.36 121.76 127.06 3f29 s ALA 48 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.14 3f29 s ALA 48 Cb 0.00 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3f29 s ALA 48 CO 0.00 -0.40 0.02 -1.54 0.00 0.00 0.00 175.76 173.84 3f29 s SER 49 N -3.32 3.62 0.18 0.00 1.04 -0.04 -4.98 113.70 110.19 3f29 s SER 49 Ca 0.58 -1.47 0.13 0.00 0.48 0.00 0.00 55.95 55.67 3f29 s SER 49 Cb -0.11 -0.03 0.69 0.00 0.10 0.00 0.00 66.02 66.67 3f29 s SER 49 CO 0.37 -0.62 1.40 -1.54 0.98 0.00 0.00 173.24 173.84 3f29 n SER 50 N -1.03 0.33 0.00 7.02 3.41 -1.26 -2.25 113.62 119.84 3f29 n SER 50 Ca -0.08 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3f29 n SER 50 Cb 0.67 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3f29 n SER 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f29 n ARG 51 N -1.93 1.07 -3.62 4.33 1.74 -1.26 -4.99 116.66 112.00 3f29 n ARG 51 Ca -0.00 -0.94 -0.15 0.00 -0.77 0.00 0.00 57.85 55.98 3f29 n ARG 51 Cb 0.04 -0.92 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 3f29 n ARG 51 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3f29 s ARG 52 N -0.48 0.14 0.29 5.56 3.52 -0.96 -5.03 118.95 122.00 3f29 s ARG 52 Ca 0.00 0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 56.20 3f29 s ARG 52 Cb 0.00 -0.32 0.49 0.00 -1.56 0.00 0.00 34.95 33.56 3f29 s ARG 52 CO 0.00 -0.37 1.90 1.98 -0.81 0.00 0.00 175.30 178.00 3f29 h MET 53 N 8.31 1.05 0.00 5.12 1.85 -1.92 -0.08 114.93 129.25 3f29 h MET 53 Ca -0.15 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 3f29 h MET 53 Cb 1.12 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 32.92 3f29 h MET 53 CO 0.17 0.70 0.00 0.41 -0.40 0.00 0.00 176.91 177.78 3f29 n GLY 54 N -1.38 1.46 3.76 1.39 0.00 -1.26 -4.00 105.19 105.16 3f29 n GLY 54 Ca 0.14 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3f29 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f29 s GLU 55 N 0.00 4.22 -0.09 1.61 0.41 -1.26 -4.94 118.70 118.65 3f29 s GLU 55 Ca 0.00 2.40 -0.30 0.00 -0.41 0.00 0.00 54.97 56.67 3f29 s GLU 55 Cb 0.00 -3.04 -0.03 0.00 -1.78 0.00 0.00 34.13 29.28 3f29 s GLU 55 CO 0.00 -0.42 1.27 0.50 -0.49 0.00 0.00 175.26 176.12 3f29 s ARG 56 N -1.35 4.29 0.61 1.61 3.52 -1.26 -4.07 118.95 122.30 3f29 s ARG 56 Ca 0.55 1.72 -0.16 0.00 -0.13 0.00 0.00 55.73 57.72 3f29 s ARG 56 Cb -0.44 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.27 3f29 s ARG 56 CO 0.53 -0.58 1.08 -1.25 -0.81 0.00 0.00 175.30 174.26 3f29 s PRO 57 N 2.83 3.16 0.04 5.12 0.04 -1.26 -4.84 135.00 140.10 3f29 s PRO 57 Ca 0.57 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 3f29 s PRO 57 Cb -0.25 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3f29 s PRO 57 CO 0.20 -0.95 0.57 0.08 0.04 0.00 0.00 177.00 176.94 3f29 s VAL 58 N -2.38 4.82 -0.11 -0.36 1.01 -0.33 -4.92 120.40 118.12 3f29 s VAL 58 Ca 0.65 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.88 3f29 s VAL 58 Cb -0.18 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3f29 s VAL 58 CO 0.38 0.50 -0.23 -0.89 0.00 0.00 0.00 175.10 174.86 3f29 s THR 59 N -0.74 2.09 -0.04 3.92 2.01 -1.26 -0.62 115.64 121.00 3f29 s THR 59 Ca 0.29 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3f29 s THR 59 Cb -0.19 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3f29 s THR 59 CO 0.18 0.56 1.05 -0.13 -0.69 0.00 0.00 174.62 175.58 3f29 s ARG 60 N 0.48 4.47 0.00 4.92 0.52 0.14 -4.92 118.95 124.55 3f29 s ARG 60 Ca -0.15 1.49 0.12 0.00 -0.52 0.00 0.00 55.73 56.67 3f29 s ARG 60 Cb -0.17 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 3f29 s ARG 60 CO 0.06 -0.23 0.66 -1.33 0.02 0.00 0.00 175.30 174.49 3f29 n MET 61 N 4.49 2.23 -2.21 3.54 2.81 -1.26 -4.97 117.12 121.75 3f29 n MET 61 Ca 0.08 -0.50 -0.38 0.00 -1.81 0.00 0.00 57.70 55.09 3f29 n MET 61 Cb 0.49 -1.13 -0.01 0.00 -0.71 0.00 0.00 33.22 31.86 3f29 n MET 61 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3f29 s ASP 62 N -1.73 6.16 0.54 7.83 -4.77 -1.26 -4.87 116.67 118.57 3f29 s ASP 62 Ca 0.09 2.38 0.32 0.00 -3.30 0.00 0.00 52.55 52.04 3f29 s ASP 62 Cb 0.10 -2.61 1.27 0.00 -1.09 0.00 0.00 42.92 40.59 3f29 s ASP 62 CO 0.36 -0.93 1.95 -0.07 0.70 0.00 0.00 175.17 177.18 3f29 h LEU 63 N 2.14 0.00 -1.08 2.11 4.07 -1.94 -2.64 115.31 117.97 3f29 h LEU 63 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3f29 h LEU 63 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3f29 h LEU 63 CO 0.60 0.01 0.00 -0.33 -1.08 0.00 0.00 178.44 177.64 3f29 h GLU 64 N 0.00 0.00 -0.44 1.13 5.08 -1.95 -1.90 114.58 116.51 3f29 h GLU 64 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3f29 h GLU 64 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3f29 h GLU 64 CO 0.00 0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.30 3f29 h ALA 65 N 2.16 1.87 0.00 3.43 0.00 -1.81 -2.67 119.26 122.24 3f29 h ALA 65 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 3f29 h ALA 65 Cb 0.35 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3f29 h ALA 65 CO 0.00 0.07 -1.81 0.00 0.00 0.00 0.00 179.25 177.51 3f29 h ALA 67 N 0.99 1.13 -0.99 0.00 0.00 -1.08 -1.45 119.26 117.86 3f29 h ALA 67 Ca -0.33 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.53 3f29 h ALA 67 Cb 2.05 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 3f29 h ALA 67 CO 0.07 0.11 0.65 0.00 0.00 0.00 0.00 179.25 180.08 3f29 h THR 68 N 0.00 1.21 -0.00 0.00 1.03 -1.72 -2.54 112.91 110.90 3f29 h THR 68 Ca -0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 3f29 h THR 68 Cb 0.38 -0.20 0.00 0.00 -1.07 0.00 0.00 68.15 67.26 3f29 h THR 68 CO 0.01 0.24 -0.65 0.00 -0.01 0.00 0.00 175.52 175.11 3f29 n HIS 70 N -1.31 1.96 -0.37 0.00 8.25 -0.58 -4.93 115.22 118.25 3f29 n HIS 70 Ca 0.03 -3.23 0.01 0.00 -0.26 0.00 0.00 57.72 54.26 3f29 n HIS 70 Cb 0.22 -0.32 0.15 0.00 1.12 0.00 0.00 29.99 31.16 3f29 n HIS 70 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3f29 h THR 71 N 2.51 1.17 -0.33 1.59 2.02 -1.70 -2.16 112.91 116.00 3f29 h THR 71 Ca 0.08 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3f29 h THR 71 Cb 0.98 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3f29 h THR 71 CO 0.64 0.23 0.18 0.00 0.37 0.00 0.00 175.52 176.94 3f29 h ALA 72 N 1.42 0.43 -0.55 6.16 0.00 -1.91 0.19 119.26 124.99 3f29 h ALA 72 Ca 0.40 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3f29 h ALA 72 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3f29 h ALA 72 CO -0.13 -0.05 0.03 1.96 0.00 0.00 0.00 179.25 181.06 3f29 h GLN 73 N 0.42 0.96 -0.16 0.00 7.50 -1.83 -1.67 115.11 120.32 3f29 h GLN 73 Ca 0.12 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 58.96 3f29 h GLN 73 Cb 0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 3f29 h GLN 73 CO -0.02 0.95 0.06 0.35 -1.50 0.00 0.00 178.83 178.68 3f29 h PHE 74 N 0.84 0.25 -0.70 2.96 3.57 -1.05 -0.89 116.94 121.93 3f29 h PHE 74 Ca 0.16 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3f29 h PHE 74 Cb 0.50 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3f29 h PHE 74 CO 0.04 0.32 0.22 -0.91 -2.23 0.00 0.00 178.31 175.75 3f29 h ASN 75 N 0.11 1.01 -0.64 0.41 2.35 -0.59 -1.38 115.58 116.84 3f29 h ASN 75 Ca 0.05 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3f29 h ASN 75 Cb 0.18 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3f29 h ASN 75 CO -0.00 0.94 0.31 0.77 -1.65 0.00 0.00 177.43 177.80 3f29 h SER 76 N 1.04 0.84 -0.55 5.81 4.64 -1.23 -2.98 113.55 121.14 3f29 h SER 76 Ca 0.23 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3f29 h SER 76 Cb 0.29 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3f29 h SER 76 CO -0.01 0.74 0.35 0.15 -0.87 0.00 0.00 176.83 177.19 3f29 h PHE 77 N 0.89 0.70 -0.00 4.77 3.57 -0.48 -3.15 116.94 123.24 3f29 h PHE 77 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3f29 h PHE 77 Cb 0.12 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3f29 h PHE 77 CO 0.00 0.46 -0.08 1.55 -2.23 0.00 0.00 178.31 178.02 3f29 n VAL 78 N -4.68 0.00 -1.64 1.41 3.14 -0.58 -4.59 118.33 111.38 3f29 n VAL 78 Ca 0.03 -0.01 -0.45 0.00 -2.96 0.00 0.00 64.34 60.94 3f29 n VAL 78 Cb 0.04 -0.32 -0.03 0.00 -1.06 0.00 0.00 33.84 32.47 3f29 n VAL 78 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3f29 n GLU 79 N -1.30 1.76 -3.62 1.45 2.13 -1.13 -4.58 120.64 115.35 3f29 n GLU 79 Ca 0.11 0.62 -0.37 0.00 0.66 0.00 0.00 57.16 58.19 3f29 n GLU 79 Cb 0.29 -2.20 -0.09 0.00 0.27 0.00 0.00 31.44 29.71 3f29 n GLU 79 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3f29 s VAL 80 N -0.33 5.34 -0.73 6.31 1.01 -1.26 -4.84 120.40 125.91 3f29 s VAL 80 Ca 0.67 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.66 3f29 s VAL 80 Cb -0.69 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.21 3f29 s VAL 80 CO 0.53 0.34 1.12 -0.60 0.00 0.00 0.00 175.10 176.48 3f29 s ARG 81 N 1.06 3.20 0.51 2.72 3.52 -1.26 -4.88 118.95 123.82 3f29 s ARG 81 Ca 0.09 -0.70 0.24 0.00 -0.13 0.00 0.00 55.73 55.23 3f29 s ARG 81 Cb -0.14 -4.33 1.37 0.00 -1.56 0.00 0.00 34.95 30.29 3f29 s ARG 81 CO 0.05 -1.96 2.07 0.45 -0.81 0.00 0.00 175.30 175.10 3f29 h HIS 82 N 9.70 0.00 0.00 5.12 3.86 -2.02 -2.00 115.15 129.80 3f29 h HIS 82 Ca -0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 3f29 h HIS 82 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3f29 h HIS 82 CO 1.06 0.12 0.00 0.93 0.86 0.00 0.00 177.93 180.90 3f29 h GLU 83 N 0.00 0.00 -6.25 2.45 3.07 -2.06 -3.39 114.58 108.40 3f29 h GLU 83 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 3f29 h GLU 83 Cb 0.28 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.11 3f29 h GLU 83 CO 0.02 0.00 1.03 -1.12 -1.40 0.00 0.00 179.01 177.54 3f29 s SER 84 N -4.90 6.18 0.16 1.42 0.01 -0.76 -4.97 113.70 110.85 3f29 s SER 84 Ca 0.03 -0.55 -0.34 0.00 1.31 0.00 0.00 55.95 56.40 3f29 s SER 84 Cb 0.09 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.63 3f29 s SER 84 CO 0.47 -1.78 1.50 1.41 0.41 0.00 0.00 173.24 175.25 3f29 n HIS 85 N 9.19 2.12 -3.34 2.43 -0.00 -1.26 -4.84 115.22 119.52 3f29 n HIS 85 Ca 0.04 0.36 -0.33 0.00 -0.00 0.00 0.00 57.72 57.79 3f29 n HIS 85 Cb 0.49 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.93 3f29 n HIS 85 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3f29 s PRO 86 N 0.59 3.89 -1.54 -0.41 0.04 -1.26 -4.34 135.00 131.97 3f29 s PRO 86 Ca 0.78 0.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 3f29 s PRO 86 Cb -0.72 -2.67 0.10 0.00 0.04 0.00 0.00 34.50 31.26 3f29 s PRO 86 CO 0.41 0.32 0.86 -2.13 0.04 0.00 0.00 177.00 176.50 3f29 n ARG 87 N 0.03 -4.62 -3.22 4.56 3.00 -1.26 -4.91 116.66 110.23 3f29 n ARG 87 Ca -0.00 0.53 -0.43 0.00 -0.00 0.00 0.00 57.85 57.95 3f29 n ARG 87 Cb 0.52 -5.36 -0.08 0.00 0.00 0.00 0.00 32.46 27.54 3f29 n ARG 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3f29 s LEU 88 N -7.15 4.68 0.11 6.15 1.98 -1.26 -4.96 118.68 118.23 3f29 s LEU 88 Ca 0.64 -0.50 -0.31 0.00 -2.89 0.00 0.00 54.13 51.07 3f29 s LEU 88 Cb -0.33 -2.55 -0.08 0.00 0.66 0.00 0.00 46.19 43.89 3f29 s LEU 88 CO 0.79 -0.67 1.48 -0.70 -1.89 0.00 0.00 176.35 175.36 3f29 s GLU 89 N 2.46 4.27 0.38 1.98 2.56 -1.26 -0.49 118.70 128.60 3f29 s GLU 89 Ca 0.17 2.18 0.18 0.00 0.00 0.00 0.00 54.97 57.51 3f29 s GLU 89 Cb -0.16 -3.31 0.75 0.00 2.00 0.00 0.00 34.13 33.41 3f29 s GLU 89 CO 0.16 -0.55 1.78 0.87 -0.56 0.00 0.00 175.26 176.96 3f29 h LYS 90 N 7.16 0.00 -1.99 4.30 1.57 -1.01 -3.33 116.57 123.26 3f29 h LYS 90 Ca -0.42 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.06 3f29 h LYS 90 Cb 1.20 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.41 3f29 h LYS 90 CO 0.89 0.36 -0.09 0.00 -0.57 0.00 0.00 179.45 180.04 3f29 n ALA 91 N -2.32 6.33 -2.38 3.86 0.00 -1.26 -1.81 120.51 122.94 3f29 n ALA 91 Ca -0.01 -2.22 -0.15 0.00 0.00 0.00 0.00 53.44 51.07 3f29 n ALA 91 Cb 0.47 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 3f29 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3f29 s THR 92 N -0.23 1.13 0.58 0.00 -4.23 -1.25 -4.86 115.64 106.79 3f29 s THR 92 Ca 0.62 -1.85 0.43 0.00 -1.18 0.00 0.00 61.69 59.71 3f29 s THR 92 Cb 0.33 -1.62 0.44 0.00 1.34 0.00 0.00 72.50 72.99 3f29 s THR 92 CO -0.08 -0.61 2.32 -0.65 -0.54 0.00 0.00 174.62 175.05 3f29 h PRO 93 N 3.19 0.00 -0.03 3.99 0.11 -1.89 -2.33 132.00 135.04 3f29 h PRO 93 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3f29 h PRO 93 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3f29 h PRO 93 CO 0.57 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.57 3f29 n THR 94 N -3.06 0.00 -1.90 -1.15 -2.24 -1.26 -4.82 114.28 99.85 3f29 n THR 94 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3f29 n THR 94 Cb 0.10 1.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3f29 n THR 94 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3f29 n SER 95 N 1.17 0.39 0.10 3.42 2.88 -0.88 -5.05 113.62 115.66 3f29 n SER 95 Ca 0.13 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.63 3f29 n SER 95 Cb 0.57 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.15 3f29 n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3f29 h ARG 96 N 0.00 0.16 -2.32 -1.46 2.47 -1.79 -3.40 114.38 108.04 3f29 h ARG 96 Ca 0.00 -0.12 -0.58 0.00 -1.26 0.00 0.00 59.98 58.02 3f29 h ARG 96 Cb 0.00 0.02 -0.37 0.00 -1.65 0.00 0.00 29.97 27.97 3f29 h ARG 96 CO 0.00 0.75 -0.96 0.45 0.56 0.00 0.00 179.97 180.77 3f29 s SER 97 N -6.88 1.34 0.55 7.04 0.15 -0.75 -4.93 113.70 110.22 3f29 s SER 97 Ca -0.03 -3.00 0.25 0.00 0.70 0.00 0.00 55.95 53.87 3f29 s SER 97 Cb 0.12 -0.35 1.46 0.00 -1.71 0.00 0.00 66.02 65.53 3f29 s SER 97 CO 0.79 -0.17 2.03 -0.65 1.20 0.00 0.00 173.24 176.45 3f29 h PRO 98 N 5.65 0.00 -0.38 5.44 0.11 -1.74 -1.99 132.00 139.09 3f29 h PRO 98 Ca 0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 3f29 h PRO 98 Cb 0.92 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 3f29 h PRO 98 CO 0.36 0.00 0.03 -1.33 -0.21 0.00 0.00 178.00 176.84 3f29 n MET 99 N -4.19 3.25 -0.23 1.05 2.81 -1.26 -4.54 117.12 114.00 3f29 n MET 99 Ca 0.06 -2.97 -0.02 0.00 -1.81 0.00 0.00 57.70 52.97 3f29 n MET 99 Cb 0.47 -1.96 0.10 0.00 -0.71 0.00 0.00 33.22 31.12 3f29 n MET 99 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3f29 h PHE 100 N 2.19 0.70 -0.90 2.03 3.57 -1.69 -2.24 116.94 120.61 3f29 h PHE 100 Ca 0.06 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3f29 h PHE 100 Cb 1.67 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 3f29 h PHE 100 CO 0.75 0.34 0.58 -0.44 -2.23 0.00 0.00 178.31 177.31 3f29 h ASP 101 N 0.70 0.98 -0.29 0.41 3.32 -1.85 0.13 116.42 119.83 3f29 h ASP 101 Ca 0.30 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 3f29 h ASP 101 Cb 0.17 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3f29 h ASP 101 CO -0.18 0.68 -0.38 0.50 -1.72 0.00 0.00 179.24 178.14 3f29 h LYS 102 N 1.14 0.76 0.00 3.56 3.64 -1.87 -2.52 116.57 121.28 3f29 h LYS 102 Ca 0.35 -0.44 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 3f29 h LYS 102 Cb -0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3f29 h LYS 102 CO -0.11 1.07 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.39 3f29 h LEU 103 N 0.52 0.00 -1.89 5.20 4.07 -0.93 -3.25 115.31 119.03 3f29 h LEU 103 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3f29 h LEU 103 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 3f29 h LEU 103 CO 0.09 0.67 0.00 0.00 -1.08 0.00 0.00 178.44 178.12 3f29 n ILE 104 N -3.58 0.03 -1.62 1.22 0.13 0.43 -5.01 119.36 110.96 3f29 n ILE 104 Ca -0.00 -0.52 -0.52 0.00 -1.10 0.00 0.00 62.75 60.61 3f29 n ILE 104 Cb 0.70 1.43 -0.06 0.00 -0.84 0.00 0.00 39.64 40.87 3f29 n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3f29 n ALA 105 N 1.26 -0.54 0.00 1.51 0.00 -0.95 -0.65 120.51 121.13 3f29 n ALA 105 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3f29 n ALA 105 Cb 0.56 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3f29 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f29 n GLY 106 N 2.99 2.22 3.81 0.00 0.00 -1.26 -1.02 105.19 111.93 3f29 n GLY 106 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3f29 n GLY 106 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3f29 s HIS 107 N -2.45 3.27 0.60 1.61 5.04 0.17 -4.79 115.29 118.74 3f29 s HIS 107 Ca 0.00 0.12 0.30 0.00 -1.54 0.00 0.00 55.06 53.94 3f29 s HIS 107 Cb 0.00 -1.65 1.75 0.00 0.04 0.00 0.00 32.58 32.72 3f29 s HIS 107 CO 0.00 0.54 2.14 0.78 -2.34 0.00 0.00 174.74 175.86 3f29 h GLY 108 N 3.23 0.00 2.00 1.59 0.00 -1.97 -2.31 103.07 105.61 3f29 h GLY 108 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3f29 h GLY 108 CO 0.68 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.96 3f29 h PHE 109 N 0.00 0.00 0.00 5.60 -1.00 -1.91 -1.69 116.94 117.94 3f29 h PHE 109 Ca 0.06 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 3f29 h PHE 109 Cb 0.37 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 3f29 h PHE 109 CO 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 178.31 176.68 3f29 h ALA 110 N 2.05 1.33 -0.01 2.45 0.00 -1.70 -2.55 119.26 120.83 3f29 h ALA 110 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3f29 h ALA 110 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3f29 h ALA 110 CO 0.00 0.02 -0.78 0.74 0.00 0.00 0.00 179.25 179.24 3f29 h PHE 111 N 0.00 0.17 0.00 0.00 0.04 -1.53 -3.47 116.94 112.16 3f29 h PHE 111 Ca -0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3f29 h PHE 111 Cb 0.06 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3f29 h PHE 111 CO 0.00 0.85 0.00 -1.91 -0.60 0.00 0.00 178.31 176.65 3f29 n GLU 112 N -3.69 0.00 -3.38 1.51 2.13 -0.96 -4.72 120.64 111.53 3f29 n GLU 112 Ca -0.02 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.63 3f29 n GLU 112 Cb 0.74 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.36 3f29 n GLU 112 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3f29 s HIS 113 N -0.62 -0.48 0.43 4.31 2.46 -1.24 -4.60 115.29 115.55 3f29 s HIS 113 Ca 0.00 -0.28 -0.02 0.00 0.47 0.00 0.00 55.06 55.23 3f29 s HIS 113 Cb 0.00 -0.42 -0.03 0.00 -0.13 0.00 0.00 32.58 32.00 3f29 s HIS 113 CO 0.00 -0.94 0.68 0.00 -2.47 0.00 0.00 174.74 172.01 3f29 s ALA 114 N 2.17 3.57 0.65 1.58 0.00 -1.26 -0.36 121.76 128.10 3f29 s ALA 114 Ca 0.11 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 3f29 s ALA 114 Cb -0.14 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 3f29 s ALA 114 CO -0.26 -0.25 1.18 -1.21 0.00 0.00 0.00 175.76 175.21 3f29 s GLU 115 N -4.56 2.69 0.61 0.00 2.02 0.36 -4.80 118.70 115.03 3f29 s GLU 115 Ca 0.45 1.68 -0.16 0.00 0.02 0.00 0.00 54.97 56.96 3f29 s GLU 115 Cb -0.10 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 3f29 s GLU 115 CO 0.40 -1.39 1.08 -1.25 0.02 0.00 0.00 175.26 174.13 3f29 s PRO 116 N -3.70 3.13 0.00 0.39 0.04 -1.26 -4.67 135.00 128.92 3f29 s PRO 116 Ca 0.73 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3f29 s PRO 116 Cb -0.27 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3f29 s PRO 116 CO 0.39 -0.98 0.00 2.89 0.04 0.00 0.00 177.00 179.33 3f29 n ARG 117 N -2.08 1.61 -1.71 4.56 1.85 -1.26 -4.84 116.66 114.78 3f29 n ARG 117 Ca 0.10 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.56 3f29 n ARG 117 Cb 0.52 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.97 3f29 n ARG 117 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3f29 n SER 118 N -1.19 2.23 -0.19 2.89 7.64 -1.26 -4.89 113.62 118.85 3f29 n SER 118 Ca 0.00 0.95 0.17 0.00 1.01 0.00 0.00 58.87 61.00 3f29 n SER 118 Cb 0.00 -1.52 0.51 0.00 -1.01 0.00 0.00 64.21 62.18 3f29 n SER 118 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3f29 h HIS 119 N 1.28 0.50 -1.01 1.43 3.86 -1.88 -2.19 115.15 117.14 3f29 h HIS 119 Ca -0.50 0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.02 3f29 h HIS 119 Cb 1.32 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.59 3f29 h HIS 119 CO 0.44 0.17 0.74 0.00 0.86 0.00 0.00 177.93 180.14 3f29 h ALA 120 N 1.63 2.96 -0.25 2.45 0.00 -1.88 -1.69 119.26 122.47 3f29 h ALA 120 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3f29 h ALA 120 Cb 0.96 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3f29 h ALA 120 CO -0.14 -1.26 0.00 1.19 0.00 0.00 0.00 179.25 179.05 3f29 n PHE 121 N -4.20 0.32 -0.29 0.00 3.72 -0.82 -4.28 117.46 111.90 3f29 n PHE 121 Ca 0.21 -0.16 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 3f29 n PHE 121 Cb 1.09 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.73 3f29 n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3f29 h MET 122 N 3.26 1.18 -0.01 -1.08 -0.00 -1.48 0.11 114.93 116.92 3f29 h MET 122 Ca 0.00 -0.17 -0.08 0.00 -0.00 0.00 0.00 59.70 59.45 3f29 h MET 122 Cb 0.72 -0.21 0.01 0.00 -0.00 0.00 0.00 31.60 32.11 3f29 h MET 122 CO 0.00 0.91 -0.32 1.25 -0.00 0.00 0.00 176.91 178.74 3f29 h LEU 123 N 1.17 0.30 -1.04 -0.10 5.85 -1.82 -1.92 115.31 117.75 3f29 h LEU 123 Ca 0.28 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3f29 h LEU 123 Cb 0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3f29 h LEU 123 CO -0.04 1.01 0.59 -0.37 -0.34 0.00 0.00 178.44 179.29 3f29 h VAL 124 N -0.38 1.25 -0.49 1.05 -1.51 -1.83 -1.25 116.25 113.09 3f29 h VAL 124 Ca -0.04 -0.49 -0.11 0.00 -1.23 0.00 0.00 66.70 64.84 3f29 h VAL 124 Cb 1.05 -0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 3f29 h VAL 124 CO 0.06 0.25 -0.12 0.44 -1.23 0.00 0.00 177.57 176.97 3f29 h ASP 125 N 1.26 0.92 -0.55 4.19 3.32 -0.80 -1.38 116.42 123.37 3f29 h ASP 125 Ca 0.34 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3f29 h ASP 125 Cb -0.10 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 3f29 h ASP 125 CO -0.07 1.04 0.32 -0.74 -1.72 0.00 0.00 179.24 178.07 3f29 h HIS 126 N 0.82 0.59 -0.45 4.55 -0.00 -1.02 -2.10 115.15 117.54 3f29 h HIS 126 Ca 0.13 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 3f29 h HIS 126 Cb 0.65 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 3f29 h HIS 126 CO 0.04 0.32 -0.10 0.74 -0.00 0.00 0.00 177.93 178.93 3f29 h PHE 127 N 0.62 0.88 0.00 5.26 0.04 -0.80 -3.34 116.94 119.60 3f29 h PHE 127 Ca 0.23 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3f29 h PHE 127 Cb 0.07 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.00 3f29 h PHE 127 CO -0.07 0.86 -1.21 1.33 -0.60 0.00 0.00 178.31 178.61 3f29 n VAL 128 N -4.17 0.06 -1.74 -0.55 0.24 -0.56 -4.41 118.33 107.20 3f29 n VAL 128 Ca 0.01 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.34 61.73 3f29 n VAL 128 Cb 0.36 0.48 0.03 0.00 -1.47 0.00 0.00 33.84 33.24 3f29 n VAL 128 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3f29 n VAL 129 N -1.83 3.28 0.31 3.34 3.14 -0.80 -4.86 118.33 120.91 3f29 n VAL 129 Ca 0.02 -0.50 0.18 0.00 -2.96 0.00 0.00 64.34 61.08 3f29 n VAL 129 Cb 0.42 -1.72 1.01 0.00 -1.06 0.00 0.00 33.84 32.49 3f29 n VAL 129 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3f29 h ASP 130 N 1.84 0.00 0.32 6.55 3.32 -1.88 -2.70 116.42 123.87 3f29 h ASP 130 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3f29 h ASP 130 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3f29 h ASP 130 CO 0.59 0.02 -0.15 -2.11 -1.72 0.00 0.00 179.24 175.86 3f29 n ARG 131 N -3.45 0.74 -0.12 3.56 1.85 -1.26 -1.15 116.66 116.83 3f29 n ARG 131 Ca -0.03 -0.32 -0.22 0.00 -1.00 0.00 0.00 57.85 56.29 3f29 n ARG 131 Cb 0.11 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 29.95 3f29 n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3f29 n ALA 132 N -0.85 1.13 -2.13 2.89 0.00 -1.02 -1.38 120.51 119.15 3f29 n ALA 132 Ca 0.14 -0.98 0.05 0.00 0.00 0.00 0.00 53.44 52.65 3f29 n ALA 132 Cb 0.30 0.11 0.10 0.00 0.00 0.00 0.00 19.45 19.95 3f29 n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3f29 n TYR 133 N -4.30 0.00 -1.71 0.00 4.02 -1.16 -1.12 117.16 112.89 3f29 n TYR 133 Ca -0.39 -0.89 -0.18 0.00 -0.01 0.00 0.00 57.90 56.43 3f29 n TYR 133 Cb 0.74 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.81 3f29 n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f29 n GLY 134 N -0.15 1.31 2.08 2.72 0.00 0.16 -1.42 105.19 109.89 3f29 n GLY 134 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 3f29 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f29 n GLY 135 N -0.78 0.46 0.26 -0.02 0.00 -1.26 0.74 105.19 104.59 3f29 n GLY 135 Ca -0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 3f29 n GLY 135 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3f29 h ARG 136 N 0.89 0.80 -5.58 1.61 2.43 -1.53 -3.42 114.38 109.59 3f29 h ARG 136 Ca -0.00 -0.05 -0.65 0.00 -0.81 0.00 0.00 59.98 58.47 3f29 h ARG 136 Cb 0.08 -0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 29.34 3f29 h ARG 136 CO 0.00 0.53 -0.52 -0.06 -1.51 0.00 0.00 179.97 178.41 3f29 s PHE 137 N -6.12 3.42 0.05 2.20 0.08 -1.26 -0.66 117.98 115.69 3f29 s PHE 137 Ca -0.13 0.35 -0.05 0.00 0.12 0.00 0.00 56.93 57.23 3f29 s PHE 137 Cb 0.15 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3f29 s PHE 137 CO 0.76 0.51 0.07 -0.65 -0.10 0.00 0.00 175.22 175.82 3f29 s GLN 138 N -0.52 0.62 0.51 0.44 -1.52 -1.00 -4.41 119.66 113.77 3f29 s GLN 138 Ca 0.11 -0.89 -0.23 0.00 -1.95 0.00 0.00 55.36 52.40 3f29 s GLN 138 Cb -0.12 0.24 -0.06 0.00 -0.22 0.00 0.00 33.01 32.85 3f29 s GLN 138 CO 0.02 -0.15 1.34 -0.06 -0.25 0.00 0.00 175.29 176.19 3f29 s PHE 139 N -3.07 2.40 0.35 0.91 0.08 -1.26 -0.48 117.98 116.92 3f29 s PHE 139 Ca -0.01 1.38 0.10 0.00 0.12 0.00 0.00 56.93 58.51 3f29 s PHE 139 Cb 0.02 -3.77 0.84 0.00 -0.57 0.00 0.00 43.02 39.54 3f29 s PHE 139 CO -0.07 -2.71 1.84 0.87 -0.10 0.00 0.00 175.22 175.05 3f29 h LYS 140 N 1.72 0.65 -3.19 0.44 1.57 -0.86 -3.43 116.57 113.46 3f29 h LYS 140 Ca -0.51 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3f29 h LYS 140 Cb 1.29 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 3f29 h LYS 140 CO 0.58 0.43 0.15 0.54 -0.57 0.00 0.00 179.45 180.58 3f29 s ASN 141 N -5.63 -0.10 0.15 0.86 2.20 -1.26 -4.99 114.94 106.16 3f29 s ASN 141 Ca -0.10 -0.84 0.19 0.00 -0.94 0.00 0.00 52.86 51.16 3f29 s ASN 141 Cb 0.23 0.73 0.80 0.00 -2.00 0.00 0.00 41.25 41.01 3f29 s ASN 141 CO 0.79 -1.38 1.58 0.79 -2.94 0.00 0.00 177.10 175.94 3f29 n TRP 142 N -0.47 0.44 0.10 1.54 7.02 -1.26 -2.10 117.44 122.72 3f29 n TRP 142 Ca -0.04 0.18 -0.05 0.00 -1.02 0.00 0.00 57.50 56.57 3f29 n TRP 142 Cb 0.60 -0.79 0.11 0.00 -2.42 0.00 0.00 31.31 28.81 3f29 n TRP 142 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3f29 h GLN 143 N 0.00 0.15 0.00 -0.99 4.20 -1.97 -3.31 115.11 113.19 3f29 h GLN 143 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3f29 h GLN 143 Cb 0.28 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3f29 h GLN 143 CO 0.00 0.76 0.00 1.63 -0.67 0.00 0.00 178.83 180.55 3f29 n LYS 144 N -3.80 0.17 0.26 1.46 4.76 -0.89 -2.84 118.16 117.27 3f29 n LYS 144 Ca -0.02 0.52 0.17 0.00 -2.87 0.00 0.00 58.31 56.11 3f29 n LYS 144 Cb 0.66 -1.90 0.89 0.00 -1.84 0.00 0.00 35.03 32.84 3f29 n LYS 144 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 3f29 h VAL 145 N 0.00 0.00 0.00 -0.18 -1.51 -1.75 -1.59 116.25 111.22 3f29 h VAL 145 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3f29 h VAL 145 Cb 0.20 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 3f29 h VAL 145 CO 0.00 0.00 -0.63 0.35 -1.23 0.00 0.00 177.57 176.06 3f29 n THR 146 N -2.74 0.11 -2.98 7.19 -2.24 -1.13 -4.82 114.28 107.67 3f29 n THR 146 Ca -0.02 -0.11 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 3f29 n THR 146 Cb 0.10 0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3f29 n THR 146 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f29 s ASP 147 N -3.45 7.06 0.10 3.42 2.15 -0.60 -4.81 116.67 120.56 3f29 s ASP 147 Ca 0.09 -2.98 -0.17 0.00 0.43 0.00 0.00 52.55 49.91 3f29 s ASP 147 Cb 0.16 -2.38 -0.05 0.00 -0.30 0.00 0.00 42.92 40.34 3f29 s ASP 147 CO 0.73 -0.73 1.57 1.23 -0.17 0.00 0.00 175.17 177.79 3f29 h GLY 148 N 9.51 0.58 1.01 2.66 0.00 -1.88 -1.12 103.07 113.82 3f29 h GLY 148 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3f29 h GLY 148 CO 1.21 0.37 0.49 1.98 0.00 0.00 0.00 176.54 180.60 3f29 h MET 149 N 0.35 1.02 -0.42 4.80 1.85 -1.87 -0.97 114.93 119.69 3f29 h MET 149 Ca 0.09 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3f29 h MET 149 Cb 0.38 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 3f29 h MET 149 CO 0.01 0.69 0.22 0.78 -0.40 0.00 0.00 176.91 178.21 3f29 h GLY 150 N 1.04 0.63 0.63 1.39 0.00 -1.92 0.02 103.07 104.87 3f29 h GLY 150 Ca 0.28 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.38 3f29 h GLY 150 CO -0.06 0.28 0.38 0.00 0.00 0.00 0.00 176.54 177.15 3f29 h ALA 151 N 1.07 0.94 -0.57 3.60 0.00 -0.82 -1.53 119.26 121.95 3f29 h ALA 151 Ca 0.15 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3f29 h ALA 151 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3f29 h ALA 151 CO -0.02 0.04 0.06 0.28 0.00 0.00 0.00 179.25 179.62 3f29 h VAL 152 N 0.69 1.26 -0.85 0.00 2.07 -0.85 -2.27 116.25 116.30 3f29 h VAL 152 Ca 0.32 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3f29 h VAL 152 Cb 0.23 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3f29 h VAL 152 CO -0.20 0.37 0.56 0.03 0.02 0.00 0.00 177.57 178.35 3f29 h ARG 153 N 0.85 0.95 0.00 1.57 3.08 -0.60 -3.43 114.38 116.80 3f29 h ARG 153 Ca 0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3f29 h ARG 153 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3f29 h ARG 153 CO 0.02 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 3f29 n GLY 154 N -1.41 2.75 0.33 0.04 0.00 -0.61 -4.88 105.19 101.40 3f29 n GLY 154 Ca 0.12 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3f29 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f29 h ALA 155 N 0.00 1.46 0.00 4.61 0.00 -0.85 -1.08 119.26 123.40 3f29 h ALA 155 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3f29 h ALA 155 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3f29 h ALA 155 CO 0.00 -0.11 0.00 0.91 0.00 0.00 0.00 179.25 180.05 3f29 n TRP 156 N -4.86 0.00 0.50 0.00 7.02 -1.26 -1.82 117.44 117.02 3f29 n TRP 156 Ca 0.20 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.81 3f29 n TRP 156 Cb 0.52 -0.11 0.32 0.00 -2.42 0.00 0.00 31.31 29.62 3f29 n TRP 156 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3f29 h THR 157 N 0.00 0.00 0.00 -0.99 1.35 -1.50 -3.37 112.91 108.40 3f29 h THR 157 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3f29 h THR 157 Cb 0.11 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3f29 h THR 157 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 3f29 n VAL 158 N -2.51 0.00 -4.31 6.82 0.24 -0.76 -5.01 118.33 112.81 3f29 n VAL 158 Ca 0.05 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.34 61.70 3f29 n VAL 158 Cb 0.46 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.77 3f29 n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3f29 s LEU 159 N -1.54 3.10 0.28 1.34 1.43 -0.76 -0.19 118.68 122.34 3f29 s LEU 159 Ca 0.00 -0.66 0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3f29 s LEU 159 Cb 0.00 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3f29 s LEU 159 CO 0.00 0.03 -0.19 0.42 0.23 0.00 0.00 176.35 176.84 3f29 s THR 160 N -2.21 2.53 -0.17 5.49 -4.23 0.37 -4.72 115.64 112.71 3f29 s THR 160 Ca 0.30 -2.38 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 3f29 s THR 160 Cb -0.07 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 3f29 s THR 160 CO 0.19 -0.40 -0.10 -0.62 -0.54 0.00 0.00 174.62 173.15 3f29 s ASP 161 N -3.51 4.14 0.54 3.99 -1.08 -1.26 -2.38 116.67 117.10 3f29 s ASP 161 Ca 0.30 -0.35 0.30 0.00 -0.52 0.00 0.00 52.55 52.29 3f29 s ASP 161 Cb -0.05 -1.66 1.51 0.00 -1.46 0.00 0.00 42.92 41.26 3f29 s ASP 161 CO 0.15 0.09 2.07 0.00 0.52 0.00 0.00 175.17 178.01 3f29 h ALA 162 N 7.25 1.18 -1.56 3.66 0.00 -1.22 -3.37 119.26 125.20 3f29 h ALA 162 Ca -0.33 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.20 3f29 h ALA 162 Cb 1.19 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 3f29 h ALA 162 CO 0.58 0.12 -0.65 0.34 0.00 0.00 0.00 179.25 179.65 3f29 s ASP 163 N -5.96 -0.13 0.21 0.00 2.15 -1.26 -5.00 116.67 106.68 3f29 s ASP 163 Ca -0.02 -1.88 0.14 0.00 0.43 0.00 0.00 52.55 51.23 3f29 s ASP 163 Cb 0.12 1.02 0.77 0.00 -0.30 0.00 0.00 42.92 44.54 3f29 s ASP 163 CO 0.56 -0.15 1.44 -2.65 -0.17 0.00 0.00 175.17 174.21 3f29 n PRO 164 N 3.46 0.09 0.00 4.34 -0.02 -1.26 -2.23 135.00 139.38 3f29 n PRO 164 Ca 0.18 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 3f29 n PRO 164 Cb 0.51 -1.80 0.39 0.00 -0.02 0.00 0.00 33.50 32.59 3f29 n PRO 164 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3f29 n GLU 165 N -2.00 0.97 -4.30 -0.52 -0.58 -1.26 -4.87 120.64 108.09 3f29 n GLU 165 Ca -0.01 -0.58 -0.20 0.00 -0.42 0.00 0.00 57.16 55.95 3f29 n GLU 165 Cb 0.03 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.30 3f29 n GLU 165 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3f29 s SER 166 N -2.42 2.43 -0.00 1.62 1.04 -0.95 -5.05 113.70 110.37 3f29 s SER 166 Ca 0.26 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3f29 s SER 166 Cb 0.19 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3f29 s SER 166 CO 0.49 -0.10 0.80 -1.54 0.98 0.00 0.00 173.24 173.87 3f29 n SER 167 N 0.25 1.17 -4.83 7.02 3.41 -1.26 -4.93 113.62 114.46 3f29 n SER 167 Ca -0.13 -1.59 -0.33 0.00 -0.26 0.00 0.00 58.87 56.55 3f29 n SER 167 Cb 0.58 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 3f29 n SER 167 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3f29 s ASP 168 N -0.60 6.89 -0.18 4.04 -4.77 -1.26 -4.37 116.67 116.43 3f29 s ASP 168 Ca 0.00 1.51 -0.29 0.00 -3.30 0.00 0.00 52.55 50.47 3f29 s ASP 168 Cb 0.00 -2.47 -0.01 0.00 -1.09 0.00 0.00 42.92 39.36 3f29 s ASP 168 CO 0.00 -0.26 1.18 -1.10 0.70 0.00 0.00 175.17 175.69 3f29 s GLN 169 N -2.99 4.25 0.20 2.11 -1.52 -1.26 -4.96 119.66 115.49 3f29 s GLN 169 Ca 0.57 1.56 -0.16 0.00 -1.95 0.00 0.00 55.36 55.39 3f29 s GLN 169 Cb -0.10 -3.71 0.02 0.00 -0.22 0.00 0.00 33.01 29.00 3f29 s GLN 169 CO 0.16 -0.65 0.49 -0.98 -0.25 0.00 0.00 175.29 174.06 3f29 s ARG 170 N 3.27 1.39 -0.12 2.91 1.70 -1.26 -5.07 118.95 121.76 3f29 s ARG 170 Ca 0.51 -0.97 -0.27 0.00 -0.47 0.00 0.00 55.73 54.54 3f29 s ARG 170 Cb -0.20 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3f29 s ARG 170 CO 0.13 -0.58 0.89 1.03 -1.08 0.00 0.00 175.30 175.68 3f29 s ARG 171 N -3.91 4.38 -0.07 3.89 0.52 -1.26 -4.10 118.95 118.40 3f29 s ARG 171 Ca 0.12 1.16 0.21 0.00 -0.52 0.00 0.00 55.73 56.70 3f29 s ARG 171 Cb -0.01 -3.54 -0.31 0.00 0.52 0.00 0.00 34.95 31.61 3f29 s ARG 171 CO -0.00 -0.26 0.39 1.19 0.02 0.00 0.00 175.30 176.63 3f29 n PHE 172 N 4.88 0.02 -4.67 -0.53 3.01 0.23 -4.93 117.46 115.47 3f29 n PHE 172 Ca 0.05 0.01 -0.28 0.00 1.01 0.00 0.00 57.45 58.24 3f29 n PHE 172 Cb 0.49 -0.64 -0.14 0.00 -0.01 0.00 0.00 39.48 39.19 3f29 n PHE 172 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3f29 s LEU 173 N -4.78 2.22 0.16 4.37 1.43 -1.07 -5.02 118.68 115.98 3f29 s LEU 173 Ca -0.08 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.24 3f29 s LEU 173 Cb 0.12 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 45.20 3f29 s LEU 173 CO 0.89 0.20 1.80 0.77 0.23 0.00 0.00 176.35 180.24 3f29 h SER 174 N 4.52 0.54 -2.39 2.29 4.64 -1.91 -3.24 113.55 117.99 3f29 h SER 174 Ca -0.47 -0.04 -0.79 0.00 -0.47 0.00 0.00 61.79 60.03 3f29 h SER 174 Cb 1.16 -0.14 -0.29 0.00 -0.31 0.00 0.00 62.40 62.82 3f29 h SER 174 CO 0.42 0.42 0.82 0.00 -0.87 0.00 0.00 176.83 177.62 3f29 n GLN 175 N -4.74 5.02 -4.31 4.77 1.13 -1.26 -4.93 117.38 113.06 3f29 n GLN 175 Ca 0.02 -4.66 -0.16 0.00 -1.94 0.00 0.00 57.00 50.25 3f29 n GLN 175 Cb 0.04 -2.46 -0.10 0.00 0.11 0.00 0.00 30.24 27.83 3f29 n GLN 175 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3f29 s THR 176 N -3.99 0.82 0.32 5.09 -4.23 -1.23 -4.91 115.64 107.51 3f29 s THR 176 Ca 0.38 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 3f29 s THR 176 Cb 0.17 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 3f29 s THR 176 CO -0.08 -0.27 0.10 0.00 -0.54 0.00 0.00 174.62 173.84 3f29 s ALA 177 N -3.57 2.23 -0.47 3.99 0.00 -0.30 -4.89 121.76 118.75 3f29 s ALA 177 Ca 0.30 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.55 3f29 s ALA 177 Cb 0.06 0.87 0.39 0.00 0.00 0.00 0.00 23.12 24.44 3f29 s ALA 177 CO 0.09 -0.39 1.00 0.25 0.00 0.00 0.00 175.76 176.71 3f29 n THR 178 N -0.65 2.23 0.53 0.00 -2.24 -1.22 -0.66 114.28 112.26 3f29 n THR 178 Ca -0.02 -4.92 0.13 0.00 -2.27 0.00 0.00 64.05 56.97 3f29 n THR 178 Cb 0.66 -1.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.22 3f29 n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f29 h ALA 179 N 2.81 0.94 -2.92 6.98 0.00 -0.80 -3.46 119.26 122.82 3f29 h ALA 179 Ca 0.17 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.55 3f29 h ALA 179 Cb 0.80 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.71 3f29 h ALA 179 CO 0.77 0.00 0.55 0.00 0.00 0.00 0.00 179.25 180.56 3f29 s ALA 180 N -3.14 2.78 0.25 0.00 0.00 -0.28 -5.00 121.76 116.38 3f29 s ALA 180 Ca 0.09 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 3f29 s ALA 180 Cb 0.11 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3f29 s ALA 180 CO 0.63 -1.17 0.42 0.54 0.00 0.00 0.00 175.76 176.17 3f29 s ASN 181 N -1.20 0.05 0.56 0.00 2.20 -1.26 -4.93 114.94 110.36 3f29 s ASN 181 Ca 0.71 -1.07 0.24 0.00 -0.94 0.00 0.00 52.86 51.80 3f29 s ASN 181 Cb -0.35 0.56 1.56 0.00 -2.00 0.00 0.00 41.25 41.02 3f29 s ASN 181 CO 0.41 -1.11 2.19 -0.65 -2.94 0.00 0.00 177.10 175.01 3f29 h PRO 182 N 2.31 0.00 -0.61 3.55 0.11 -1.85 -2.71 132.00 132.79 3f29 h PRO 182 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3f29 h PRO 182 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3f29 h PRO 182 CO 0.39 0.00 0.10 0.28 -0.21 0.00 0.00 178.00 178.56 3f29 h VAL 183 N 0.00 1.25 -0.91 3.15 2.07 -1.88 -2.88 116.25 117.05 3f29 h VAL 183 Ca 0.02 -0.99 0.26 0.00 0.82 0.00 0.00 66.70 66.80 3f29 h VAL 183 Cb 0.08 0.68 -0.15 0.00 -1.52 0.00 0.00 31.29 30.37 3f29 h VAL 183 CO -0.00 0.37 0.21 0.00 0.02 0.00 0.00 177.57 178.17 3f29 h LEU 185 N 0.15 0.00 -2.55 0.00 -0.00 -1.66 -2.16 115.31 109.09 3f29 h LEU 185 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.46 3f29 h LEU 185 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 3f29 h LEU 185 CO -0.72 0.10 0.00 0.78 -0.00 0.00 0.00 178.44 178.60 3f29 h ASN 186 N 0.00 0.00 -0.54 -0.43 2.35 -1.50 -0.09 115.58 115.38 3f29 h ASN 186 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3f29 h ASN 186 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3f29 h ASN 186 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 3f29 n LYS 188 N 0.73 2.62 -3.49 0.00 4.76 -0.18 -4.96 118.16 117.63 3f29 n LYS 188 Ca 0.23 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.54 3f29 n LYS 188 Cb 0.84 -0.90 -0.04 0.00 -1.84 0.00 0.00 35.03 33.10 3f29 n LYS 188 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3f29 s THR 189 N -1.75 0.00 -0.15 -0.18 -1.32 -0.41 -2.15 115.64 109.68 3f29 s THR 189 Ca 0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 3f29 s THR 189 Cb 0.00 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.42 3f29 s THR 189 CO 0.00 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.61 3f29 n GLN 190 N 0.20 1.22 0.11 7.08 1.13 -1.26 -4.27 117.38 121.58 3f29 n GLN 190 Ca -0.15 -2.95 0.15 0.00 -1.94 0.00 0.00 57.00 52.11 3f29 n GLN 190 Cb 0.61 -1.14 0.67 0.00 0.11 0.00 0.00 30.24 30.48 3f29 n GLN 190 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3f29 h ASP 191 N 1.13 0.01 -0.29 1.08 5.19 -1.91 -1.92 116.42 119.71 3f29 h ASP 191 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3f29 h ASP 191 Cb 1.33 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 3f29 h ASP 191 CO 0.09 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.21 3f29 n HIS 192 N -4.45 0.53 0.03 4.55 1.44 -1.26 -4.57 115.22 111.49 3f29 n HIS 192 Ca 0.04 -0.23 0.17 0.00 -2.01 0.00 0.00 57.72 55.69 3f29 n HIS 192 Cb 0.38 -0.07 0.65 0.00 0.12 0.00 0.00 29.99 31.06 3f29 n HIS 192 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3f29 h ILE 193 N 1.74 0.81 -0.42 0.61 2.10 -1.71 0.20 117.51 120.84 3f29 h ILE 193 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3f29 h ILE 193 Cb 0.60 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 3f29 h ILE 193 CO 0.06 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 3f29 n LEU 194 N -4.42 3.07 -0.02 2.19 4.77 -1.26 -4.31 117.00 117.02 3f29 n LEU 194 Ca 0.08 -1.39 0.01 0.00 -0.03 0.00 0.00 56.01 54.68 3f29 n LEU 194 Cb 0.48 -0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3f29 n LEU 194 CO 0.36 0.69 0.43 0.47 -1.33 0.00 0.00 177.39 178.01 3f29 n ASP 195 N 1.22 1.42 -3.73 -1.43 8.00 0.67 -4.93 116.55 117.77 3f29 n ASP 195 Ca 0.19 -1.79 -0.20 0.00 0.71 0.00 0.00 54.79 53.70 3f29 n ASP 195 Cb 0.53 -0.03 -0.17 0.00 -0.02 0.00 0.00 41.12 41.42 3f29 n ASP 195 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3f29 s TRP 196 N -0.81 0.28 0.56 1.24 -0.11 -1.01 -1.60 118.94 117.50 3f29 s TRP 196 Ca 0.02 0.08 -0.16 0.00 1.22 0.00 0.00 56.10 57.26 3f29 s TRP 196 Cb 0.02 -0.55 -0.06 0.00 -1.50 0.00 0.00 33.47 31.38 3f29 s TRP 196 CO 0.00 -0.21 1.02 0.00 -4.62 0.00 0.00 176.95 173.14 3f29 s ALA 197 N 1.84 2.90 -0.11 5.86 0.00 -1.26 -4.76 121.76 126.23 3f29 s ALA 197 Ca 0.01 0.27 -0.40 0.00 0.00 0.00 0.00 51.96 51.85 3f29 s ALA 197 Cb -0.12 -3.17 -0.18 0.00 0.00 0.00 0.00 23.12 19.64 3f29 s ALA 197 CO -0.03 -0.54 1.38 0.98 0.00 0.00 0.00 175.76 177.54 3f29 n TYR 198 N -1.86 1.40 -0.30 0.00 9.36 0.43 -0.29 117.16 125.89 3f29 n TYR 198 Ca 0.08 0.83 0.00 0.00 3.32 0.00 0.00 57.90 62.12 3f29 n TYR 198 Cb 0.53 -2.27 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 3f29 n TYR 198 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3f29 n MET 199 N 3.02 0.00 -1.02 2.98 2.81 -1.26 -3.08 117.12 120.57 3f29 n MET 199 Ca 0.22 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.11 3f29 n MET 199 Cb 0.11 -2.38 -0.00 0.00 -0.71 0.00 0.00 33.22 30.23 3f29 n MET 199 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f29 n GLY 200 N -2.00 0.47 3.70 3.03 0.00 0.61 -4.81 105.19 106.18 3f29 n GLY 200 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 3f29 n GLY 200 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f29 n ASP 201 N 1.14 1.56 -4.76 1.61 8.00 -1.18 -1.58 116.55 121.34 3f29 n ASP 201 Ca -0.01 0.75 -0.41 0.00 0.71 0.00 0.00 54.79 55.83 3f29 n ASP 201 Cb 0.03 -1.52 -0.00 0.00 -0.02 0.00 0.00 41.12 39.61 3f29 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f29 n GLU 202 N -2.18 2.54 -3.65 -1.24 -0.58 -1.26 -4.57 120.64 109.70 3f29 n GLU 202 Ca 0.15 0.89 -0.12 0.00 -0.42 0.00 0.00 57.16 57.66 3f29 n GLU 202 Cb 0.49 -2.60 -0.08 0.00 -0.57 0.00 0.00 31.44 28.68 3f29 n GLU 202 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3f29 s HIS 203 N -1.12 -0.79 0.44 -0.32 2.46 -1.26 -5.05 115.29 109.65 3f29 s HIS 203 Ca 0.54 1.83 0.13 0.00 0.47 0.00 0.00 55.06 58.03 3f29 s HIS 203 Cb -0.49 0.33 1.03 0.00 -0.13 0.00 0.00 32.58 33.32 3f29 s HIS 203 CO 0.63 -0.39 2.03 1.05 -2.47 0.00 0.00 174.74 175.59 3f29 h GLU 204 N 5.57 0.37 -0.00 2.88 9.09 -2.00 -2.03 114.58 128.45 3f29 h GLU 204 Ca -0.29 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.10 3f29 h GLU 204 Cb 1.18 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3f29 h GLU 204 CO 0.11 0.24 -0.12 0.00 0.05 0.00 0.00 179.01 179.29 3f29 n ALA 205 N -2.52 2.79 -2.61 1.06 0.00 -1.26 -4.85 120.51 113.13 3f29 n ALA 205 Ca 0.06 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 3f29 n ALA 205 Cb 0.26 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 3f29 n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f29 s ALA 206 N -2.45 3.56 0.25 0.00 0.00 -0.76 -4.85 121.76 117.50 3f29 s ALA 206 Ca 0.29 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3f29 s ALA 206 Cb 0.20 -2.67 0.30 0.00 0.00 0.00 0.00 23.12 20.95 3f29 s ALA 206 CO 0.47 -0.63 1.67 -0.22 0.00 0.00 0.00 175.76 177.06 3f29 h LYS 207 N 8.16 0.61 -6.37 0.00 3.64 -1.76 -3.45 116.57 117.40 3f29 h LYS 207 Ca -0.32 -0.24 -0.61 0.00 -1.27 0.00 0.00 60.65 58.21 3f29 h LYS 207 Cb 1.17 -0.03 -0.23 0.00 -0.41 0.00 0.00 32.23 32.72 3f29 h LYS 207 CO 0.63 0.81 -0.85 -1.58 -2.27 0.00 0.00 179.45 176.19 3f29 s TRP 208 N -4.53 1.97 0.36 1.91 0.52 -0.63 -5.02 118.94 113.51 3f29 s TRP 208 Ca -0.08 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 55.56 3f29 s TRP 208 Cb 0.13 -1.11 0.03 0.00 -1.15 0.00 0.00 33.47 31.37 3f29 s TRP 208 CO 0.81 0.20 0.62 -1.54 0.02 0.00 0.00 176.95 177.05 3f29 s SER 209 N -1.69 0.48 0.54 2.95 1.04 -1.26 -4.31 113.70 111.46 3f29 s SER 209 Ca 0.09 -1.31 0.30 0.00 0.48 0.00 0.00 55.95 55.51 3f29 s SER 209 Cb -0.10 0.74 1.46 0.00 0.10 0.00 0.00 66.02 68.23 3f29 s SER 209 CO 0.04 -1.46 1.91 0.03 0.98 0.00 0.00 173.24 174.74 3f29 h ARG 210 N 2.06 0.00 -0.24 4.02 3.08 -1.60 -1.49 114.38 120.21 3f29 h ARG 210 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3f29 h ARG 210 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3f29 h ARG 210 CO 0.39 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.54 3f29 n THR 211 N -4.21 0.29 -0.85 2.04 -2.24 -1.26 -4.47 114.28 103.58 3f29 n THR 211 Ca 0.15 -0.57 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 3f29 n THR 211 Cb 0.84 0.91 0.16 0.00 -2.10 0.00 0.00 70.33 70.13 3f29 n THR 211 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3f29 s SER 212 N -1.65 3.11 -0.49 3.42 0.01 -0.56 -4.94 113.70 112.60 3f29 s SER 212 Ca 0.35 1.97 -0.28 0.00 1.31 0.00 0.00 55.95 59.30 3f29 s SER 212 Cb 0.21 -2.49 -0.00 0.00 0.21 0.00 0.00 66.02 63.94 3f29 s SER 212 CO 0.30 -2.94 1.59 -1.61 0.41 0.00 0.00 173.24 170.99 3f29 s GLU 213 N -4.71 3.23 0.42 12.44 0.41 -1.26 -4.73 118.70 124.49 3f29 s GLU 213 Ca 0.65 0.79 0.14 0.00 -0.41 0.00 0.00 54.97 56.14 3f29 s GLU 213 Cb -0.21 -4.17 1.00 0.00 -1.78 0.00 0.00 34.13 28.96 3f29 s GLU 213 CO 0.58 -2.01 1.94 -0.24 -0.49 0.00 0.00 175.26 175.04 3f29 h VAL 214 N 6.59 0.85 -0.75 2.63 3.04 -1.92 -0.81 116.25 125.89 3f29 h VAL 214 Ca -0.28 -0.16 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 3f29 h VAL 214 Cb 1.13 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.72 3f29 h VAL 214 CO 1.14 0.09 0.25 0.58 -1.01 0.00 0.00 177.57 178.61 3f29 h VAL 215 N 0.47 1.26 -0.31 1.51 2.07 -1.91 0.21 116.25 119.55 3f29 h VAL 215 Ca 0.34 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3f29 h VAL 215 Cb 0.68 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3f29 h VAL 215 CO -0.11 0.35 -0.02 -0.33 0.02 0.00 0.00 177.57 177.48 3f29 h GLU 216 N 1.11 0.57 -0.21 1.57 5.08 -1.39 -2.85 114.58 118.46 3f29 h GLU 216 Ca 0.24 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3f29 h GLU 216 Cb 0.29 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3f29 h GLU 216 CO -0.01 0.72 -0.06 0.35 -1.00 0.00 0.00 179.01 179.01 3f29 h PHE 217 N 0.36 -0.14 -0.79 4.33 3.57 -1.18 -2.77 116.94 120.33 3f29 h PHE 217 Ca 0.09 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.76 3f29 h PHE 217 Cb 0.48 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 3f29 h PHE 217 CO 0.04 -0.10 0.34 0.00 -2.23 0.00 0.00 178.31 176.35 3f29 h ALA 218 N 1.19 1.14 0.00 2.41 0.00 -0.48 -1.17 119.26 122.34 3f29 h ALA 218 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3f29 h ALA 218 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f29 h ALA 218 CO -0.23 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3f29 h ARG 219 N 0.48 0.00 -0.02 0.00 3.08 -1.25 -1.77 114.38 114.89 3f29 h ARG 219 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3f29 h ARG 219 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3f29 h ARG 219 CO -0.41 0.00 -0.03 -0.25 -1.07 0.00 0.00 179.97 178.21 3f29 n ASP 220 N -2.59 2.45 -4.50 7.04 9.92 -0.45 -4.94 116.55 123.48 3f29 n ASP 220 Ca -0.00 -1.80 -0.32 0.00 -0.53 0.00 0.00 54.79 52.14 3f29 n ASP 220 Cb 0.15 0.03 -0.12 0.00 -0.64 0.00 0.00 41.12 40.53 3f29 n ASP 220 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3f29 s LEU 221 N -2.04 2.81 0.00 0.64 1.43 -0.67 -4.93 118.68 115.93 3f29 s LEU 221 Ca 0.30 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3f29 s LEU 221 Cb 0.20 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3f29 s LEU 221 CO 0.33 0.30 0.00 0.59 0.23 0.00 0.00 176.35 177.80 3f29 n ASN 222 N 1.84 0.82 -4.70 2.29 4.13 -1.26 -4.69 115.26 113.69 3f29 n ASN 222 Ca -0.16 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.75 3f29 n ASN 222 Cb 0.52 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.67 3f29 n ASN 222 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3f29 s HIS 223 N -1.55 3.17 0.40 3.10 3.76 -1.26 -0.66 115.29 122.25 3f29 s HIS 223 Ca 0.00 0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.95 3f29 s HIS 223 Cb 0.00 -1.77 -0.08 0.00 1.11 0.00 0.00 32.58 31.84 3f29 s HIS 223 CO 0.00 0.49 0.83 -1.25 -0.85 0.00 0.00 174.74 173.95 3f29 s PRO 224 N -1.07 3.97 -0.57 8.40 0.04 -1.26 -4.46 135.00 140.05 3f29 s PRO 224 Ca 0.15 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 61.88 3f29 s PRO 224 Cb -0.11 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.11 3f29 s PRO 224 CO 0.05 -0.00 0.38 -0.11 0.04 0.00 0.00 177.00 177.35 3f29 n LEU 225 N -0.88 -0.81 -4.71 -3.56 7.94 -0.92 -4.78 117.00 109.29 3f29 n LEU 225 Ca 0.04 -0.66 -0.39 0.00 -1.11 0.00 0.00 56.01 53.90 3f29 n LEU 225 Cb 0.54 -0.97 0.04 0.00 0.53 0.00 0.00 43.42 43.56 3f29 n LEU 225 CO 0.43 0.32 0.87 0.59 -1.11 0.00 0.00 177.39 178.50 3f29 n ASN 226 N -1.29 2.28 0.07 1.96 4.13 -1.26 -4.85 115.26 116.30 3f29 n ASN 226 Ca -0.17 0.98 0.10 0.00 1.68 0.00 0.00 54.58 57.18 3f29 n ASN 226 Cb 0.40 -1.52 0.57 0.00 -1.54 0.00 0.00 39.78 37.69 3f29 n ASN 226 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3f29 n PHE 228 N -4.48 0.00 0.24 0.00 1.16 -1.26 -3.08 117.46 110.04 3f29 n PHE 228 Ca 0.04 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.70 3f29 n PHE 228 Cb 0.25 -0.13 0.60 0.00 -1.61 0.00 0.00 39.48 38.59 3f29 n PHE 228 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3f29 h MET 229 N 0.00 0.00 0.00 3.97 2.86 -1.54 -3.23 114.93 116.99 3f29 h MET 229 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3f29 h MET 229 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3f29 h MET 229 CO 0.00 0.13 -0.24 0.00 1.06 0.00 0.00 176.91 177.85 3f29 s HIS 231 N -1.44 1.17 0.09 0.00 3.76 -1.21 -1.40 115.29 116.26 3f29 s HIS 231 Ca 0.01 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 3f29 s HIS 231 Cb 0.03 -1.05 -0.08 0.00 1.11 0.00 0.00 32.58 32.59 3f29 s HIS 231 CO 0.18 -0.42 1.56 0.34 -0.85 0.00 0.00 174.74 175.54 3f29 s ASP 232 N 1.67 6.67 0.53 1.40 2.15 0.13 -4.28 116.67 124.94 3f29 s ASP 232 Ca 0.03 2.44 0.31 0.00 0.43 0.00 0.00 52.55 55.76 3f29 s ASP 232 Cb -0.13 -2.57 1.40 0.00 -0.30 0.00 0.00 42.92 41.32 3f29 s ASP 232 CO -0.06 -0.81 2.01 1.55 -0.17 0.00 0.00 175.17 177.69 3f29 h PRO 233 N 7.65 0.00 0.03 4.34 0.13 -1.90 0.45 132.00 142.70 3f29 h PRO 233 Ca -0.42 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.43 3f29 h PRO 233 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3f29 h PRO 233 CO 0.91 0.08 -1.53 0.72 -0.23 0.00 0.00 178.00 177.95 3f29 n HIS 234 N -3.28 1.02 0.32 1.56 8.25 -1.26 -4.37 115.22 117.46 3f29 n HIS 234 Ca -0.00 0.37 0.12 0.00 -0.26 0.00 0.00 57.72 57.94 3f29 n HIS 234 Cb 0.29 -1.11 0.05 0.00 1.12 0.00 0.00 29.99 30.34 3f29 n HIS 234 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3f29 n SER 235 N -4.16 0.73 0.00 0.41 3.41 -1.24 -3.97 113.62 108.80 3f29 n SER 235 Ca -0.33 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3f29 n SER 235 Cb 0.79 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 3f29 n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f29 n ALA 236 N -2.01 0.00 -2.04 7.33 0.00 0.16 -2.48 120.51 121.46 3f29 n ALA 236 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 3f29 n ALA 236 Cb 0.50 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.03 3f29 n ALA 236 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f29 s GLY 237 N -2.00 1.60 0.26 0.00 0.00 -1.25 -4.55 107.32 101.38 3f29 s GLY 237 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 3f29 s GLY 237 CO 0.00 -0.24 1.21 2.56 0.00 0.00 0.00 173.10 176.63 3f29 s PRO 238 N -5.06 4.49 0.27 2.90 0.04 -1.26 -0.69 135.00 135.69 3f29 s PRO 238 Ca 0.54 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 63.41 3f29 s PRO 238 Cb -0.11 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3f29 s PRO 238 CO 0.48 -0.04 0.57 -0.98 0.04 0.00 0.00 177.00 177.07 3f29 s ARG 239 N -1.08 1.69 0.20 4.56 1.70 -0.50 -1.02 118.95 124.50 3f29 s ARG 239 Ca 0.49 -1.21 0.11 0.00 -0.47 0.00 0.00 55.73 54.65 3f29 s ARG 239 Cb -0.35 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3f29 s ARG 239 CO 0.43 -0.73 -0.23 0.14 -1.08 0.00 0.00 175.30 173.83 3f29 s VAL 240 N -3.82 2.33 -0.05 4.99 -7.23 0.28 -4.17 120.40 112.73 3f29 s VAL 240 Ca 0.19 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 3f29 s VAL 240 Cb -0.03 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3f29 s VAL 240 CO 0.09 -0.17 0.05 1.33 -0.31 0.00 0.00 175.10 176.09 3f29 n VAL 241 N 0.14 0.00 -2.21 1.32 0.24 -1.24 -0.75 118.33 115.84 3f29 n VAL 241 Ca -0.12 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 3f29 n VAL 241 Cb 0.57 0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 3f29 n VAL 241 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3f29 s ARG 242 N -1.25 4.15 0.15 7.34 6.06 -1.26 -4.82 118.95 129.32 3f29 s ARG 242 Ca 0.00 1.86 -0.16 0.00 -2.50 0.00 0.00 55.73 54.93 3f29 s ARG 242 Cb 0.01 -3.89 0.05 0.00 0.06 0.00 0.00 34.95 31.17 3f29 s ARG 242 CO 0.05 -0.85 1.76 0.38 -2.50 0.00 0.00 175.30 174.14 3f29 h ASP 243 N 9.10 0.19 -0.49 -2.12 3.04 -1.96 -2.27 116.42 121.91 3f29 h ASP 243 Ca -0.33 0.03 0.07 0.00 -3.24 0.00 0.00 57.03 53.57 3f29 h ASP 243 Cb 1.14 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.40 3f29 h ASP 243 CO 0.97 0.15 0.33 1.23 -2.04 0.00 0.00 179.24 179.88 3f29 h GLY 244 N 0.31 0.47 0.47 7.15 0.00 -1.91 0.75 103.07 110.32 3f29 h GLY 244 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3f29 h GLY 244 CO -0.14 0.10 -0.23 -2.00 0.00 0.00 0.00 176.54 174.27 3f29 h LEU 245 N 0.36 0.23 -0.87 3.11 5.85 -1.77 -2.53 115.31 119.69 3f29 h LEU 245 Ca 0.22 -0.74 0.07 0.00 0.84 0.00 0.00 57.88 58.26 3f29 h LEU 245 Cb 0.40 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3f29 h LEU 245 CO -0.05 0.94 0.54 0.40 -0.34 0.00 0.00 178.44 179.93 3f29 h ILE 246 N -0.47 1.03 -0.23 4.05 2.04 -1.02 -0.63 117.51 122.29 3f29 h ILE 246 Ca -0.03 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.53 3f29 h ILE 246 Cb 0.97 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3f29 h ILE 246 CO 0.05 0.18 0.05 -1.13 0.00 0.00 0.00 178.15 177.30 3f29 h ASN 247 N 0.98 0.03 0.05 1.72 -0.73 -0.86 0.14 115.58 116.91 3f29 h ASN 247 Ca 0.38 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.59 3f29 h ASN 247 Cb 0.19 0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.82 3f29 h ASN 247 CO -0.18 0.05 -0.03 0.00 -0.37 0.00 0.00 177.43 176.90 3f29 h ALA 248 N 1.16 -0.07 -0.11 1.57 0.00 -1.09 -0.19 119.26 120.54 3f29 h ALA 248 Ca 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3f29 h ALA 248 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3f29 h ALA 248 CO -0.13 -0.46 -0.41 0.28 0.00 0.00 0.00 179.25 178.53 3f29 h VAL 249 N -0.24 1.38 0.00 0.00 2.07 -0.96 -2.89 116.25 115.60 3f29 h VAL 249 Ca -0.01 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 3f29 h VAL 249 Cb 0.22 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3f29 h VAL 249 CO 0.01 0.52 -0.95 0.52 0.02 0.00 0.00 177.57 177.69 3f29 n VAL 250 N -4.31 1.46 -0.17 2.57 0.31 0.46 -1.47 118.33 117.17 3f29 n VAL 250 Ca -0.08 0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.35 3f29 n VAL 250 Cb 0.55 -2.23 0.05 0.00 -0.91 0.00 0.00 33.84 31.30 3f29 n VAL 250 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3f29 h ASP 251 N -0.87 0.45 -0.04 4.52 3.32 -1.34 -1.72 116.42 120.74 3f29 h ASP 251 Ca -0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3f29 h ASP 251 Cb 0.91 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3f29 h ASP 251 CO -0.02 0.31 0.00 0.54 -1.72 0.00 0.00 179.24 178.35 3f29 n ARG 252 N -4.83 1.62 -1.82 3.56 1.74 -0.12 -4.94 116.66 111.87 3f29 n ARG 252 Ca 0.04 -0.91 -0.17 0.00 -0.77 0.00 0.00 57.85 56.04 3f29 n ARG 252 Cb 0.11 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 3f29 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f29 n GLY 253 N 1.15 0.93 0.18 -0.13 0.00 -0.65 -4.89 105.19 101.77 3f29 n GLY 253 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3f29 n GLY 253 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f29 h LEU 254 N 0.00 0.00 0.00 0.99 3.38 -1.37 -3.49 115.31 114.82 3f29 h LEU 254 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3f29 h LEU 254 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3f29 h LEU 254 CO 0.51 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.97 3f29 n GLY 255 N 0.95 -1.80 0.18 0.83 0.00 -0.54 -3.87 105.19 100.94 3f29 n GLY 255 Ca 0.02 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.52 3f29 n GLY 255 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f29 h THR 256 N 0.00 1.30 -2.96 2.61 1.35 -1.82 -3.36 112.91 110.03 3f29 h THR 256 Ca 0.00 -1.42 -0.61 0.00 -0.55 0.00 0.00 66.41 63.83 3f29 h THR 256 Cb 0.00 1.75 -0.40 0.00 -1.73 0.00 0.00 68.15 67.77 3f29 h THR 256 CO 0.00 0.41 -0.74 -0.31 -0.25 0.00 0.00 175.52 174.63 3f29 s TYR 257 N -4.11 2.12 0.56 4.73 1.51 -1.26 -5.00 117.35 115.90 3f29 s TYR 257 Ca -0.03 -2.54 0.27 0.00 -1.01 0.00 0.00 57.07 53.76 3f29 s TYR 257 Cb 0.14 -1.92 1.49 0.00 -0.11 0.00 0.00 41.96 41.56 3f29 s TYR 257 CO 0.74 -0.76 1.99 -1.35 -1.11 0.00 0.00 175.55 175.06 3f29 h PRO 258 N 6.48 0.00 -0.24 -1.71 0.11 -1.71 0.16 132.00 135.09 3f29 h PRO 258 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3f29 h PRO 258 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3f29 h PRO 258 CO 0.51 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.02 3f29 n HIS 259 N -4.02 0.31 -3.37 0.65 8.25 -1.26 -4.69 115.22 111.09 3f29 n HIS 259 Ca 0.07 -0.15 -0.19 0.00 -0.26 0.00 0.00 57.72 57.19 3f29 n HIS 259 Cb 0.55 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 3f29 n HIS 259 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f29 s ASP 260 N -1.54 1.41 0.41 0.41 -1.08 0.04 -5.01 116.67 111.32 3f29 s ASP 260 Ca 0.34 -1.70 0.08 0.00 -0.52 0.00 0.00 52.55 50.74 3f29 s ASP 260 Cb 0.19 0.42 0.88 0.00 -1.46 0.00 0.00 42.92 42.95 3f29 s ASP 260 CO 0.28 -0.26 2.06 -0.65 0.52 0.00 0.00 175.17 177.12 3f29 h PRO 261 N 7.01 0.52 -0.03 4.34 0.11 -1.84 -0.13 132.00 141.97 3f29 h PRO 261 Ca 0.06 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3f29 h PRO 261 Cb 1.04 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3f29 h PRO 261 CO 0.21 0.34 -0.02 0.28 -0.21 0.00 0.00 178.00 178.60 3f29 h VAL 262 N 0.54 1.33 -0.56 3.15 2.07 -1.95 -2.30 116.25 118.53 3f29 h VAL 262 Ca 0.15 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 3f29 h VAL 262 Cb -0.03 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3f29 h VAL 262 CO -0.03 0.27 0.14 0.50 0.02 0.00 0.00 177.57 178.47 3f29 h LYS 263 N -0.33 0.85 -0.60 1.57 3.64 -1.86 -1.29 116.57 118.56 3f29 h LYS 263 Ca 0.01 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3f29 h LYS 263 Cb 0.45 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3f29 h LYS 263 CO 0.01 0.76 0.39 0.77 -2.27 0.00 0.00 179.45 179.11 3f29 h SER 264 N 0.82 0.56 0.17 4.20 0.02 -0.98 0.80 113.55 119.15 3f29 h SER 264 Ca 0.18 -0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.86 3f29 h SER 264 Cb 0.29 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 62.73 3f29 h SER 264 CO -0.00 0.38 -1.16 -0.08 -1.14 0.00 0.00 176.83 174.82 3f29 h GLU 265 N 0.65 0.49 0.00 3.45 4.22 -0.79 -3.07 114.58 119.53 3f29 h GLU 265 Ca 0.25 -0.75 -0.11 0.00 0.08 0.00 0.00 59.36 58.82 3f29 h GLU 265 Cb 0.16 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3f29 h GLU 265 CO -0.07 1.35 -0.54 1.96 -2.18 0.00 0.00 179.01 179.53 3f29 h GLN 266 N 0.01 0.00 -2.15 1.92 4.20 -1.04 -3.35 115.11 114.70 3f29 h GLN 266 Ca -0.19 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.96 3f29 h GLN 266 Cb 1.89 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.26 3f29 h GLN 266 CO 0.22 0.54 -0.86 1.04 -0.67 0.00 0.00 178.83 179.10 3f29 n GLN 267 N -3.65 2.14 -1.53 1.46 6.02 0.25 -4.74 117.38 117.33 3f29 n GLN 267 Ca -0.01 -4.19 -0.03 0.00 -0.01 0.00 0.00 57.00 52.77 3f29 n GLN 267 Cb 0.59 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3f29 n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f29 n GLY 268 N 0.27 2.50 2.96 1.08 0.00 -1.16 -4.72 105.19 106.12 3f29 n GLY 268 Ca 0.28 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 3f29 n GLY 268 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3f29 s MET 269 N -2.31 0.55 -0.23 1.61 1.75 -1.26 -1.09 119.30 118.32 3f29 s MET 269 Ca 0.06 -0.20 -0.03 0.00 -1.25 0.00 0.00 55.69 54.26 3f29 s MET 269 Cb -0.00 -0.54 0.01 0.00 2.84 0.00 0.00 34.83 37.13 3f29 s MET 269 CO 0.04 0.10 -0.05 0.99 -0.65 0.00 0.00 175.02 175.45 3f29 s THR 270 N 0.02 3.19 -0.04 10.11 2.01 0.22 -4.92 115.64 126.22 3f29 s THR 270 Ca 0.00 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3f29 s THR 270 Cb -0.04 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3f29 s THR 270 CO -0.00 0.32 1.23 -0.75 -0.69 0.00 0.00 174.62 174.73 3f29 s LYS 271 N 1.42 4.35 -0.15 4.92 2.20 -1.26 -0.85 119.74 130.36 3f29 s LYS 271 Ca 0.04 1.72 0.01 0.00 -0.36 0.00 0.00 55.97 57.37 3f29 s LYS 271 Cb -0.15 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3f29 s LYS 271 CO -0.04 -0.46 -0.16 0.08 -0.36 0.00 0.00 175.35 174.42 3f29 s VAL 272 N 2.18 2.60 0.00 4.02 1.01 0.18 -4.97 120.40 125.43 3f29 s VAL 272 Ca 0.57 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3f29 s VAL 272 Cb -0.26 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3f29 s VAL 272 CO 0.23 0.52 0.06 0.42 0.00 0.00 0.00 175.10 176.33 3f29 s THR 273 N 0.79 4.55 -0.04 3.92 -4.23 -1.26 -1.04 115.64 118.32 3f29 s THR 273 Ca -0.06 -0.50 0.07 0.00 -1.18 0.00 0.00 61.69 60.02 3f29 s THR 273 Cb -0.15 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 3f29 s THR 273 CO 0.00 0.34 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.81 3f29 s PHE 274 N -1.18 2.37 0.17 3.99 0.40 0.03 -4.99 117.98 118.76 3f29 s PHE 274 Ca 0.22 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3f29 s PHE 274 Cb -0.12 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 3f29 s PHE 274 CO 0.14 -0.15 0.21 -0.65 0.70 0.00 0.00 175.22 175.47 3f29 s GLN 275 N -0.33 3.15 -0.18 0.44 1.11 -1.26 -1.12 119.66 121.47 3f29 s GLN 275 Ca 0.02 -0.76 0.01 0.00 0.01 0.00 0.00 55.36 54.63 3f29 s GLN 275 Cb -0.12 -2.78 0.03 0.00 -1.01 0.00 0.00 33.01 29.12 3f29 s GLN 275 CO 0.02 0.49 -0.16 1.03 0.01 0.00 0.00 175.29 176.68 3f29 s ARG 276 N -3.24 2.58 7.73 2.91 1.81 0.47 -4.85 118.95 126.35 3f29 s ARG 276 Ca 0.33 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 3f29 s ARG 276 Cb -0.10 -2.41 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 3f29 s ARG 276 CO 0.26 -0.27 0.00 0.41 -0.68 0.00 0.00 175.30 175.02 3f29 n GLY 277 N 4.67 3.85 0.54 -3.53 0.00 -1.26 -1.65 105.19 107.81 3f29 n GLY 277 Ca -0.18 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.03 3f29 n GLY 277 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f29 n ARG 278 N 11.95 2.39 -3.72 1.61 0.00 -1.26 -4.99 116.66 122.63 3f29 n ARG 278 Ca 0.00 -1.82 -0.37 0.00 -0.00 0.00 0.00 57.85 55.67 3f29 n ARG 278 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 32.46 31.16 3f29 n ARG 278 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3f29 s GLU 279 N -0.97 3.85 0.33 -0.14 0.41 -0.66 -5.05 118.70 116.47 3f29 s GLU 279 Ca 0.19 -0.03 -0.28 0.00 -0.41 0.00 0.00 54.97 54.43 3f29 s GLU 279 Cb 0.10 -3.30 -0.12 0.00 -1.78 0.00 0.00 34.13 29.03 3f29 s GLU 279 CO 0.14 0.55 1.31 -0.25 -0.49 0.00 0.00 175.26 176.52 3f29 n ASP 280 N 2.64 2.82 0.07 -0.19 8.00 -1.26 -0.40 116.55 128.24 3f29 n ASP 280 Ca -0.17 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.54 3f29 n ASP 280 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 3f29 n ASP 280 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3f29 n PHE 281 N 0.54 -0.86 -4.43 1.24 7.35 -0.28 -4.75 117.46 116.27 3f29 n PHE 281 Ca 0.05 0.15 -0.21 0.00 -0.76 0.00 0.00 57.45 56.69 3f29 n PHE 281 Cb 0.36 0.24 -0.11 0.00 0.35 0.00 0.00 39.48 40.32 3f29 n PHE 281 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3f29 s ARG 282 N -1.79 1.59 0.06 -4.13 1.70 -0.99 -0.43 118.95 114.96 3f29 s ARG 282 Ca 0.00 -1.86 -0.11 0.00 -0.47 0.00 0.00 55.73 53.29 3f29 s ARG 282 Cb 0.00 -0.85 0.01 0.00 -0.57 0.00 0.00 34.95 33.54 3f29 s ARG 282 CO 0.00 -0.15 0.25 0.00 -1.08 0.00 0.00 175.30 174.32 3f29 s ALA 283 N -3.30 -0.48 0.24 7.88 0.00 -1.26 -0.79 121.76 124.06 3f29 s ALA 283 Ca 0.35 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3f29 s ALA 283 Cb 0.08 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 3f29 s ALA 283 CO 0.14 -0.45 0.04 0.96 0.00 0.00 0.00 175.76 176.45 3f29 s ILE 284 N -3.07 0.84 -0.28 0.00 -4.36 -0.21 -4.85 121.20 109.27 3f29 s ILE 284 Ca -0.01 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3f29 s ILE 284 Cb 0.01 -2.45 0.08 0.00 1.25 0.00 0.00 42.46 41.35 3f29 s ILE 284 CO -0.07 -0.21 -0.02 -0.83 0.24 0.00 0.00 174.94 174.05 3f29 s GLY 285 N -3.31 1.55 0.10 6.27 0.00 0.07 -0.65 107.32 111.36 3f29 s GLY 285 Ca 0.31 -1.84 -0.30 0.00 0.00 0.00 0.00 44.72 42.90 3f29 s GLY 285 CO 0.10 0.92 1.14 1.08 0.00 0.00 0.00 173.10 176.34 3f29 s LEU 286 N 1.20 4.41 0.03 0.66 1.43 -0.03 -0.56 118.68 125.82 3f29 s LEU 286 Ca -0.00 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 3f29 s LEU 286 Cb -0.19 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 3f29 s LEU 286 CO -0.08 -0.36 0.43 -0.76 0.23 0.00 0.00 176.35 175.81 3f29 s LEU 287 N 0.50 4.45 0.35 1.79 1.43 -0.19 -0.61 118.68 126.40 3f29 s LEU 287 Ca 0.54 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.65 3f29 s LEU 287 Cb -0.29 -2.71 0.64 0.00 0.03 0.00 0.00 46.19 43.86 3f29 s LEU 287 CO 0.31 0.28 1.91 0.44 0.23 0.00 0.00 176.35 179.53 3f29 h ASP 288 N 4.45 0.52 -4.54 2.29 3.32 -1.42 -3.44 116.42 117.60 3f29 h ASP 288 Ca -0.51 -0.08 -0.32 0.00 0.02 0.00 0.00 57.03 56.15 3f29 h ASP 288 Cb 1.21 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 3f29 h ASP 288 CO 0.63 0.53 -0.64 0.42 -1.72 0.00 0.00 179.24 178.46 3f29 s THR 289 N -5.13 0.59 -1.42 0.35 -4.23 -1.26 -5.00 115.64 99.55 3f29 s THR 289 Ca -0.08 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 3f29 s THR 289 Cb 0.16 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.63 3f29 s THR 289 CO 0.76 -0.22 2.22 0.00 -0.54 0.00 0.00 174.62 176.84 3f29 n ALA 290 N -0.35 5.43 -2.98 3.99 0.00 -1.26 -4.85 120.51 120.48 3f29 n ALA 290 Ca -0.03 -3.84 -0.44 0.00 0.00 0.00 0.00 53.44 49.13 3f29 n ALA 290 Cb 0.65 -3.54 -0.05 0.00 0.00 0.00 0.00 19.45 16.51 3f29 n ALA 290 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f29 s ASP 291 N 3.30 6.19 0.51 0.00 -1.08 -1.26 -4.91 116.67 119.42 3f29 s ASP 291 Ca 0.48 -1.22 0.26 0.00 -0.52 0.00 0.00 52.55 51.54 3f29 s ASP 291 Cb 0.14 -2.32 1.40 0.00 -1.46 0.00 0.00 42.92 40.68 3f29 s ASP 291 CO -0.08 -1.12 2.06 0.77 0.52 0.00 0.00 175.17 177.32 3f29 h SER 292 N 9.21 0.00 -0.99 -0.34 4.64 -1.96 -2.23 113.55 121.87 3f29 h SER 292 Ca -0.29 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.15 3f29 h SER 292 Cb 1.09 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.09 3f29 h SER 292 CO 1.08 0.13 0.62 0.78 -0.87 0.00 0.00 176.83 178.57 3f29 h ASN 293 N 0.00 0.92 0.41 4.97 2.35 -1.92 -0.33 115.58 121.98 3f29 h ASN 293 Ca -0.00 0.05 -0.31 0.00 -0.55 0.00 0.00 56.30 55.48 3f29 h ASN 293 Cb 0.33 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3f29 h ASN 293 CO 0.02 0.50 -1.61 0.58 -1.65 0.00 0.00 177.43 175.26 3f29 h VAL 294 N 0.99 1.05 -0.14 2.81 2.07 -1.81 -2.85 116.25 118.37 3f29 h VAL 294 Ca 0.48 -2.72 0.03 0.00 0.82 0.00 0.00 66.70 65.31 3f29 h VAL 294 Cb 0.45 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 3f29 h VAL 294 CO -0.26 0.80 -0.06 0.24 0.02 0.00 0.00 177.57 178.31 3f29 h MET 295 N 0.06 -0.04 0.00 1.57 2.86 -1.15 -2.79 114.93 115.44 3f29 h MET 295 Ca -0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 3f29 h MET 295 Cb 2.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 3f29 h MET 295 CO 0.14 -0.03 -0.32 0.00 1.06 0.00 0.00 176.91 177.77 3f29 n ALA 297 N -2.34 2.14 0.26 0.00 0.00 -1.06 -1.35 120.51 118.17 3f29 n ALA 297 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.43 3f29 n ALA 297 Cb 0.42 -1.30 0.71 0.00 0.00 0.00 0.00 19.45 19.28 3f29 n ALA 297 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3f29 h GLN 298 N 0.00 0.00 0.00 0.00 4.20 -1.45 -3.39 115.11 114.47 3f29 h GLN 298 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3f29 h GLN 298 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3f29 h GLN 298 CO 0.00 0.09 -0.45 0.00 -0.67 0.00 0.00 178.83 177.80 3f29 n HIS 300 N -1.65 2.71 -4.12 0.00 8.25 -0.46 -4.85 115.22 115.11 3f29 n HIS 300 Ca 0.00 -2.94 -0.09 0.00 -0.26 0.00 0.00 57.72 54.43 3f29 n HIS 300 Cb 0.23 -2.19 -0.10 0.00 1.12 0.00 0.00 29.99 29.05 3f29 n HIS 300 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3f29 s VAL 301 N 0.87 0.12 0.15 1.59 -7.23 -0.71 -1.76 120.40 113.43 3f29 s VAL 301 Ca 0.57 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 3f29 s VAL 301 Cb 0.16 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 3f29 s VAL 301 CO -0.07 -0.54 0.80 -0.70 -0.31 0.00 0.00 175.10 174.28 3f29 s GLU 302 N -4.02 4.59 0.17 4.82 2.56 -1.12 -4.42 118.70 121.30 3f29 s GLU 302 Ca 0.20 1.19 -0.14 0.00 0.00 0.00 0.00 54.97 56.23 3f29 s GLU 302 Cb 0.07 -3.29 0.01 0.00 2.00 0.00 0.00 34.13 32.93 3f29 s GLU 302 CO -0.01 0.49 0.41 1.52 -0.56 0.00 0.00 175.26 177.11 3f29 s TYR 303 N -0.89 0.08 -0.17 5.30 1.13 -1.26 -3.51 117.35 118.03 3f29 s TYR 303 Ca 0.37 -0.43 -0.07 0.00 -1.41 0.00 0.00 57.07 55.53 3f29 s TYR 303 Cb -0.23 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 3f29 s TYR 303 CO 0.26 -0.81 0.07 1.21 -2.51 0.00 0.00 175.55 173.78 3f29 s ASN 304 N -2.90 5.75 -0.39 -0.18 2.47 0.15 -4.85 114.94 114.99 3f29 s ASN 304 Ca 0.11 0.14 0.11 0.00 0.42 0.00 0.00 52.86 53.64 3f29 s ASN 304 Cb 0.01 -1.96 0.38 0.00 -1.45 0.00 0.00 41.25 38.23 3f29 s ASN 304 CO -0.03 0.21 1.03 0.00 -3.72 0.00 0.00 177.10 174.59 3f29 s ASN 306 N -2.01 -0.02 0.86 0.00 4.22 -1.02 -4.54 114.94 112.43 3f29 s ASN 306 Ca 0.28 0.01 -0.12 0.00 -2.14 0.00 0.00 52.86 50.90 3f29 s ASN 306 Cb 0.37 0.02 0.11 0.00 1.28 0.00 0.00 41.25 43.03 3f29 s ASN 306 CO -0.05 -0.03 1.10 -2.16 -2.04 0.00 0.00 177.10 173.92 3f29 s PRO 307 N -1.67 1.54 0.00 3.55 0.04 -1.26 -4.49 135.00 132.70 3f29 s PRO 307 Ca 0.11 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.88 3f29 s PRO 307 Cb -0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3f29 s PRO 307 CO -0.05 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.38 3f29 n GLY 308 N -1.52 3.19 3.18 0.56 0.00 -0.03 -4.93 105.19 105.64 3f29 n GLY 308 Ca 0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 3f29 n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f29 s TYR 309 N -0.79 0.35 0.05 1.61 2.02 -0.31 -0.46 117.35 119.82 3f29 s TYR 309 Ca 0.00 -0.81 -0.21 0.00 -0.37 0.00 0.00 57.07 55.68 3f29 s TYR 309 Cb 0.00 -0.20 -0.06 0.00 -0.40 0.00 0.00 41.96 41.30 3f29 s TYR 309 CO 0.00 -0.51 0.63 -0.65 -1.57 0.00 0.00 175.55 173.45 3f29 s GLN 310 N -3.91 4.33 0.26 -0.62 -0.21 0.20 -0.46 119.66 119.26 3f29 s GLN 310 Ca 0.08 0.83 -0.04 0.00 0.02 0.00 0.00 55.36 56.26 3f29 s GLN 310 Cb 0.06 -3.30 0.32 0.00 1.00 0.00 0.00 33.01 31.09 3f29 s GLN 310 CO -0.08 0.48 1.82 -0.07 -2.12 0.00 0.00 175.29 175.31 3f29 h LEU 311 N 5.10 0.90 0.52 2.90 3.38 -1.82 0.84 115.31 127.14 3f29 h LEU 311 Ca -0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 3f29 h LEU 311 Cb 1.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3f29 h LEU 311 CO 0.67 0.83 -0.33 0.77 0.09 0.00 0.00 178.44 180.48 3f29 h SER 312 N 0.95 -0.83 0.00 -0.43 4.64 -1.93 -3.38 113.55 112.57 3f29 h SER 312 Ca 0.22 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3f29 h SER 312 Cb 0.24 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3f29 h SER 312 CO -0.01 -0.51 0.00 -0.90 -0.87 0.00 0.00 176.83 174.53 3f29 n ASP 313 N -5.46 0.74 0.00 4.97 5.75 -1.24 -5.01 116.55 116.29 3f29 n ASP 313 Ca -0.12 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3f29 n ASP 313 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 3f29 n ASP 313 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f29 n GLY 314 N -0.06 0.31 3.78 6.12 0.00 0.29 -4.97 105.19 110.65 3f29 n GLY 314 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3f29 n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f29 s SER 315 N -2.06 5.66 0.26 1.61 1.04 -1.26 -4.54 113.70 114.42 3f29 s SER 315 Ca 0.00 2.02 -0.30 0.00 0.48 0.00 0.00 55.95 58.15 3f29 s SER 315 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 3f29 s SER 315 CO 0.00 -1.25 1.44 -0.60 0.98 0.00 0.00 173.24 173.80 3f29 s ARG 316 N -3.65 4.27 -0.31 4.02 3.00 -1.26 -0.63 118.95 124.38 3f29 s ARG 316 Ca 0.68 2.31 -0.04 0.00 -1.00 0.00 0.00 55.73 57.68 3f29 s ARG 316 Cb -0.20 -3.10 0.04 0.00 0.00 0.00 0.00 34.95 31.68 3f29 s ARG 316 CO 0.32 -0.41 0.04 0.08 0.00 0.00 0.00 175.30 175.33 3f29 s VAL 317 N -0.10 3.38 0.73 7.11 1.01 0.39 -4.86 120.40 128.06 3f29 s VAL 317 Ca 0.59 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3f29 s VAL 317 Cb -0.42 -2.89 0.12 0.00 0.00 0.00 0.00 36.38 33.20 3f29 s VAL 317 CO 0.44 -0.09 1.01 -0.83 0.00 0.00 0.00 175.10 175.64 3f29 s GLY 318 N 1.34 1.76 0.56 4.51 0.00 -1.26 -0.85 107.32 113.39 3f29 s GLY 318 Ca -0.03 -1.60 0.24 0.00 0.00 0.00 0.00 44.72 43.33 3f29 s GLY 318 CO 0.00 -1.05 2.18 -0.33 0.00 0.00 0.00 173.10 173.91 3f29 h MET 319 N -0.60 0.00 0.00 2.90 2.86 -1.90 -1.94 114.93 116.26 3f29 h MET 319 Ca -0.38 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.23 3f29 h MET 319 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 3f29 h MET 319 CO 0.42 0.00 -0.14 0.38 1.06 0.00 0.00 176.91 178.63 3f29 h ASP 320 N 0.00 0.00 -3.68 1.22 2.03 -1.93 -3.43 116.42 110.63 3f29 h ASP 320 Ca 0.02 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.82 3f29 h ASP 320 Cb 0.11 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3f29 h ASP 320 CO -0.00 0.14 0.43 -0.62 -1.03 0.00 0.00 179.24 178.16 3f29 s ASP 321 N -6.12 7.39 0.53 4.15 -1.08 -0.73 -4.94 116.67 115.86 3f29 s ASP 321 Ca -0.02 2.08 0.25 0.00 -0.52 0.00 0.00 52.55 54.34 3f29 s ASP 321 Cb 0.12 -2.61 1.39 0.00 -1.46 0.00 0.00 42.92 40.36 3f29 s ASP 321 CO 0.59 -0.09 1.99 -0.09 0.52 0.00 0.00 175.17 178.09 3f29 h ARG 322 N 4.53 0.01 0.00 4.34 9.65 -1.87 -1.69 114.38 129.36 3f29 h ARG 322 Ca -0.45 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3f29 h ARG 322 Cb 1.21 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3f29 h ARG 322 CO 0.70 0.01 0.00 0.00 2.80 0.00 0.00 179.97 183.47 3f29 h ARG 323 N 0.01 0.00 0.00 0.20 3.08 -1.92 -1.90 114.38 113.85 3f29 h ARG 323 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3f29 h ARG 323 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3f29 h ARG 323 CO -0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.89 3f29 n ALA 324 N -1.88 1.99 -3.67 0.04 0.00 -0.64 -4.04 120.51 112.31 3f29 n ALA 324 Ca -0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 3f29 n ALA 324 Cb 0.15 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 3f29 n ALA 324 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3f29 s ASN 325 N -2.81 3.68 -0.12 0.00 2.47 -0.72 -2.43 114.94 115.02 3f29 s ASN 325 Ca 0.14 -2.13 -0.06 0.00 0.42 0.00 0.00 52.86 51.23 3f29 s ASN 325 Cb 0.13 -0.84 0.05 0.00 -1.45 0.00 0.00 41.25 39.14 3f29 s ASN 325 CO 0.34 -0.34 0.27 -2.28 -3.72 0.00 0.00 177.10 171.38 3f29 s HIS 326 N 1.01 -0.39 -0.30 0.43 2.46 -0.46 -4.90 115.29 113.14 3f29 s HIS 326 Ca 0.14 0.90 -0.13 0.00 0.47 0.00 0.00 55.06 56.45 3f29 s HIS 326 Cb -0.21 0.06 -0.04 0.00 -0.13 0.00 0.00 32.58 32.26 3f29 s HIS 326 CO -0.10 -0.28 0.26 -0.06 -2.47 0.00 0.00 174.74 172.08 3f29 s PHE 327 N 1.57 3.22 0.32 3.88 0.40 -1.26 0.30 117.98 126.41 3f29 s PHE 327 Ca -0.07 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.41 3f29 s PHE 327 Cb -0.11 -2.47 0.53 0.00 0.51 0.00 0.00 43.02 41.48 3f29 s PHE 327 CO -0.09 -0.25 1.75 0.74 0.70 0.00 0.00 175.22 178.06 3f29 h PHE 328 N 8.38 0.26 -6.37 0.36 -1.00 -1.94 -3.44 116.94 113.19 3f29 h PHE 328 Ca -0.33 -0.06 -0.48 0.00 2.81 0.00 0.00 57.97 59.91 3f29 h PHE 328 Cb 1.17 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.64 3f29 h PHE 328 CO 0.73 0.56 -0.84 1.87 -1.61 0.00 0.00 178.31 179.01 3f29 n TRP 329 N -4.07 -1.84 -3.87 -0.55 -0.00 -1.26 -4.96 117.44 100.88 3f29 n TRP 329 Ca -0.01 0.81 -0.12 0.00 -0.00 0.00 0.00 57.50 58.17 3f29 n TRP 329 Cb 0.44 -3.90 -0.14 0.00 -0.00 0.00 0.00 31.31 27.71 3f29 n TRP 329 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3f29 s ALA 330 N -3.69 -0.04 1.04 5.87 0.00 -1.26 -4.98 121.76 118.70 3f29 s ALA 330 Ca 0.19 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 3f29 s ALA 330 Cb -0.10 -0.02 0.21 0.00 0.00 0.00 0.00 23.12 23.21 3f29 s ALA 330 CO 0.86 -0.02 1.13 0.54 0.00 0.00 0.00 175.76 178.27 3f29 s ASN 331 N -0.07 2.31 0.36 0.00 2.20 -1.26 -4.68 114.94 113.80 3f29 s ASN 331 Ca -0.01 0.86 0.07 0.00 -0.94 0.00 0.00 52.86 52.84 3f29 s ASN 331 Cb -0.01 -1.31 0.77 0.00 -2.00 0.00 0.00 41.25 38.70 3f29 s ASN 331 CO -0.00 -3.29 1.93 1.62 -2.94 0.00 0.00 177.10 174.43 3f29 h VAL 332 N -2.00 0.96 0.00 3.54 3.04 -1.98 -0.37 116.25 119.44 3f29 h VAL 332 Ca -0.50 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 3f29 h VAL 332 Cb 1.31 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3f29 h VAL 332 CO 0.50 0.13 -0.15 0.49 -1.01 0.00 0.00 177.57 177.53 3f29 n PHE 333 N -4.50 0.09 0.76 3.17 3.72 -1.26 -3.09 117.46 116.35 3f29 n PHE 333 Ca 0.13 0.03 0.08 0.00 -0.05 0.00 0.00 57.45 57.63 3f29 n PHE 333 Cb 0.30 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 3f29 n PHE 333 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3f29 n ASP 334 N -1.58 1.32 -0.06 4.37 8.00 -0.37 -4.71 116.55 123.53 3f29 n ASP 334 Ca 0.06 -1.16 -0.10 0.00 0.71 0.00 0.00 54.79 54.30 3f29 n ASP 334 Cb 0.35 0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 3f29 n ASP 334 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3f29 h TYR 335 N 1.15 0.30 -0.69 1.24 3.20 -1.06 -1.76 116.97 119.35 3f29 h TYR 335 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3f29 h TYR 335 Cb 0.50 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 3f29 h TYR 335 CO 0.00 0.31 0.36 -0.22 -1.64 0.00 0.00 178.16 176.97 3f29 h LYS 336 N 0.21 0.63 -0.72 1.82 3.64 -1.84 0.57 116.57 120.87 3f29 h LYS 336 Ca 0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3f29 h LYS 336 Cb 0.12 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3f29 h LYS 336 CO -0.01 0.42 0.20 1.49 -2.27 0.00 0.00 179.45 179.28 3f29 h GLU 337 N 0.65 1.14 -0.90 1.90 4.81 -1.85 -0.76 114.58 119.57 3f29 h GLU 337 Ca 0.32 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3f29 h GLU 337 Cb 0.26 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3f29 h GLU 337 CO -0.22 0.99 0.52 0.00 -0.73 0.00 0.00 179.01 179.57 3f29 h ALA 338 N 1.10 1.21 -0.18 2.92 0.00 -0.30 0.07 119.26 124.08 3f29 h ALA 338 Ca 0.23 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3f29 h ALA 338 Cb 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3f29 h ALA 338 CO -0.00 0.65 -0.61 0.00 0.00 0.00 0.00 179.25 179.29 3f29 h ALA 339 N 1.31 0.58 -0.87 0.00 0.00 -0.70 -3.03 119.26 116.55 3f29 h ALA 339 Ca 0.32 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3f29 h ALA 339 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3f29 h ALA 339 CO -0.06 0.70 0.46 1.96 0.00 0.00 0.00 179.25 182.32 3f29 h GLN 340 N 0.47 1.22 -0.76 0.00 4.20 -0.85 -0.31 115.11 119.08 3f29 h GLN 340 Ca -0.01 -0.15 0.12 0.00 0.06 0.00 0.00 58.65 58.68 3f29 h GLN 340 Cb 1.19 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 3f29 h GLN 340 CO 0.12 0.90 0.50 0.93 -0.67 0.00 0.00 178.83 180.61 3f29 h GLU 341 N 1.22 0.54 -0.26 1.46 5.08 -0.87 -0.58 114.58 121.16 3f29 h GLU 341 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3f29 h GLU 341 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3f29 h GLU 341 CO -0.05 0.36 0.00 0.44 -1.00 0.00 0.00 179.01 178.76 3f29 n ILE 342 N -4.50 0.37 -3.45 3.13 -5.35 -1.09 -5.01 119.36 103.47 3f29 n ILE 342 Ca 0.14 -0.69 -0.22 0.00 -0.27 0.00 0.00 62.75 61.72 3f29 n ILE 342 Cb 0.43 1.09 0.05 0.00 -1.74 0.00 0.00 39.64 39.47 3f29 n ILE 342 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3f29 n ASP 343 N 1.28 -6.11 -3.82 7.28 2.03 -0.18 -4.98 116.55 112.05 3f29 n ASP 343 Ca 0.16 -0.80 -0.13 0.00 0.52 0.00 0.00 54.79 54.54 3f29 n ASP 343 Cb 0.55 -4.26 -0.13 0.00 -0.72 0.00 0.00 41.12 36.55 3f29 n ASP 343 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3f29 s PHE 344 N -3.37 -0.13 0.13 -0.67 2.19 -0.87 -3.22 117.98 112.04 3f29 s PHE 344 Ca 0.41 0.32 -0.01 0.00 0.33 0.00 0.00 56.93 57.98 3f29 s PHE 344 Cb -0.10 0.02 -0.04 0.00 -1.31 0.00 0.00 43.02 41.59 3f29 s PHE 344 CO 0.80 -0.08 0.05 -0.59 1.83 0.00 0.00 175.22 177.24 3f29 s PHE 345 N 0.24 0.85 -0.21 10.12 -0.71 0.40 -4.67 117.98 124.00 3f29 s PHE 345 Ca -0.01 -1.22 -0.17 0.00 -1.04 0.00 0.00 56.93 54.48 3f29 s PHE 345 Cb -0.03 -0.48 -0.19 0.00 -1.21 0.00 0.00 43.02 41.11 3f29 s PHE 345 CO -0.01 -0.50 0.12 -0.25 -1.34 0.00 0.00 175.22 173.24 3f29 n ASP 346 N -0.09 1.92 -3.71 1.98 9.92 -0.52 -1.17 116.55 124.90 3f29 n ASP 346 Ca -0.06 0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 54.45 3f29 n ASP 346 Cb 0.64 -0.90 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 3f29 n ASP 346 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3f29 s PHE 347 N -2.43 -0.11 -0.21 1.24 -0.71 -1.00 -4.62 117.98 110.14 3f29 s PHE 347 Ca -0.30 -0.22 -0.10 0.00 -1.04 0.00 0.00 56.93 55.27 3f29 s PHE 347 Cb 0.08 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 3f29 s PHE 347 CO 0.60 -0.79 0.14 1.03 -1.34 0.00 0.00 175.22 174.85 3f29 s ARG 348 N -3.85 4.15 0.24 1.99 0.52 -1.26 -0.39 118.95 120.35 3f29 s ARG 348 Ca 0.07 -0.24 -0.31 0.00 -0.52 0.00 0.00 55.73 54.73 3f29 s ARG 348 Cb 0.01 -3.44 -0.12 0.00 0.52 0.00 0.00 34.95 31.92 3f29 s ARG 348 CO -0.07 0.24 1.68 -1.58 0.02 0.00 0.00 175.30 175.58 3f29 s HIS 349 N 0.54 2.84 0.52 -0.53 5.65 0.52 -4.66 115.29 120.17 3f29 s HIS 349 Ca 0.08 0.51 0.26 0.00 0.25 0.00 0.00 55.06 56.15 3f29 s HIS 349 Cb -0.12 -4.12 1.57 0.00 -1.18 0.00 0.00 32.58 28.74 3f29 s HIS 349 CO -0.00 -4.05 2.17 0.00 -0.65 0.00 0.00 174.74 172.20 3f29 h ALA 350 N 6.05 1.55 0.00 1.58 0.00 -1.43 -0.60 119.26 126.42 3f29 h ALA 350 Ca -0.45 -0.04 -0.42 0.00 0.00 0.00 0.00 54.91 54.00 3f29 h ALA 350 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3f29 h ALA 350 CO 0.90 0.06 -2.36 2.41 0.00 0.00 0.00 179.25 180.26 3f29 n THR 351 N -3.95 1.53 0.15 0.00 -1.04 -1.26 -4.69 114.28 105.02 3f29 n THR 351 Ca -0.03 -0.33 0.11 0.00 -2.04 0.00 0.00 64.05 61.76 3f29 n THR 351 Cb 0.14 -1.92 0.06 0.00 -1.82 0.00 0.00 70.33 66.79 3f29 n THR 351 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3f29 h THR 352 N -1.00 0.06 0.00 12.58 1.35 -1.87 -3.44 112.91 120.59 3f29 h THR 352 Ca -0.64 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3f29 h THR 352 Cb 1.55 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3f29 h THR 352 CO -0.39 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.53 3f29 n GLY 353 N 1.16 0.72 3.76 5.82 0.00 -0.23 -4.93 105.19 111.49 3f29 n GLY 353 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3f29 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f29 s ALA 354 N -3.06 3.49 0.06 4.61 0.00 -1.26 -4.57 121.76 121.04 3f29 s ALA 354 Ca 0.00 1.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.84 3f29 s ALA 354 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3f29 s ALA 354 CO 0.00 -0.55 1.45 0.00 0.00 0.00 0.00 175.76 176.66 3f29 s ALA 355 N -0.92 3.61 0.09 0.00 0.00 -1.26 -0.36 121.76 122.92 3f29 s ALA 355 Ca 0.50 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.55 3f29 s ALA 355 Cb -0.38 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 3f29 s ALA 355 CO 0.49 -0.83 -0.13 -0.51 0.00 0.00 0.00 175.76 174.78 3f29 s LEU 356 N 1.92 2.34 0.40 0.00 1.43 0.48 -4.51 118.68 120.74 3f29 s LEU 356 Ca 0.66 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3f29 s LEU 356 Cb -0.35 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 3f29 s LEU 356 CO 0.29 -0.15 0.77 -2.16 0.23 0.00 0.00 176.35 175.33 3f29 s PRO 357 N -2.20 3.79 -0.21 1.29 0.04 -1.26 -1.43 135.00 135.01 3f29 s PRO 357 Ca 0.02 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 3f29 s PRO 357 Cb -0.07 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 3f29 s PRO 357 CO 0.02 -0.03 -0.03 0.21 0.04 0.00 0.00 177.00 177.20 3f29 s LYS 358 N -3.82 3.46 -0.07 4.56 2.47 -1.26 -4.87 119.74 120.21 3f29 s LYS 358 Ca 0.51 -0.59 -0.06 0.00 -1.56 0.00 0.00 55.97 54.27 3f29 s LYS 358 Cb -0.10 -3.02 -0.04 0.00 -1.46 0.00 0.00 37.83 33.21 3f29 s LYS 358 CO 0.31 -0.11 0.17 -0.51 0.16 0.00 0.00 175.35 175.37 3f29 s LEU 359 N 1.28 4.39 -0.04 5.43 2.01 -1.26 -4.89 118.68 125.60 3f29 s LEU 359 Ca 0.03 0.45 0.01 0.00 0.01 0.00 0.00 54.13 54.64 3f29 s LEU 359 Cb -0.14 -2.31 0.02 0.00 0.01 0.00 0.00 46.19 43.77 3f29 s LEU 359 CO -0.01 0.35 -0.05 -1.10 1.01 0.00 0.00 176.35 176.55 3f29 s GLN 360 N -1.38 0.82 0.00 1.70 1.11 -1.26 -4.80 119.66 115.84 3f29 s GLN 360 Ca 0.20 -0.13 0.00 0.00 0.01 0.00 0.00 55.36 55.44 3f29 s GLN 360 Cb -0.12 -0.81 0.00 0.00 -1.01 0.00 0.00 33.01 31.06 3f29 s GLN 360 CO 0.10 -0.05 0.00 -2.39 0.01 0.00 0.00 175.29 172.96 3f29 n HIS 361 N 3.90 0.00 -1.55 0.91 1.44 -1.17 -2.78 115.22 115.97 3f29 n HIS 361 Ca -0.24 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.16 3f29 n HIS 361 Cb 0.51 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.57 3f29 n HIS 361 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3f29 n PRO 362 N -0.44 3.27 -0.18 -1.40 -0.04 -1.26 -1.74 135.00 133.21 3f29 n PRO 362 Ca 0.00 -2.48 -0.08 0.00 -0.04 0.00 0.00 63.50 60.90 3f29 n PRO 362 Cb 0.00 -2.38 0.01 0.00 -0.04 0.00 0.00 33.50 31.09 3f29 n PRO 362 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3f29 h GLU 363 N 3.83 0.76 -0.21 0.54 3.07 -1.82 -1.62 114.58 119.13 3f29 h GLU 363 Ca 0.53 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.25 3f29 h GLU 363 Cb 0.65 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3f29 h GLU 363 CO 1.10 0.67 0.09 0.00 -1.40 0.00 0.00 179.01 179.48 3f29 h ALA 364 N 1.05 0.27 0.00 3.43 0.00 -1.62 -0.15 119.26 122.24 3f29 h ALA 364 Ca 0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3f29 h ALA 364 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3f29 h ALA 364 CO -0.01 -0.16 -0.36 0.93 0.00 0.00 0.00 179.25 179.64 3f29 h GLU 365 N 0.19 0.00 -0.06 0.00 3.07 -1.81 -2.93 114.58 113.05 3f29 h GLU 365 Ca 0.07 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.72 3f29 h GLU 365 Cb 0.14 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3f29 h GLU 365 CO -0.01 0.36 -0.77 1.15 -1.40 0.00 0.00 179.01 178.34 3f29 h THR 366 N 0.00 1.33 -0.19 1.13 2.02 -1.06 -3.30 112.91 112.84 3f29 h THR 366 Ca -0.00 -2.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.09 3f29 h THR 366 Cb 0.83 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 3f29 h THR 366 CO 0.05 0.63 -0.01 0.15 0.37 0.00 0.00 175.52 176.71 3f29 h PHE 367 N 0.27 0.27 -1.99 3.16 3.57 -0.85 -3.41 116.94 117.96 3f29 h PHE 367 Ca -0.08 -0.01 -0.63 0.00 3.53 0.00 0.00 57.97 60.78 3f29 h PHE 367 Cb 1.43 -0.08 0.05 0.00 2.79 0.00 0.00 35.95 40.14 3f29 h PHE 367 CO 0.11 0.29 0.66 0.91 -2.23 0.00 0.00 178.31 178.06 3f29 n TRP 368 N -4.37 1.94 -0.44 0.41 8.01 -1.13 -1.94 117.44 119.92 3f29 n TRP 368 Ca -0.00 0.42 0.00 0.00 -1.31 0.00 0.00 57.50 56.61 3f29 n TRP 368 Cb 0.18 -2.45 0.00 0.00 -2.01 0.00 0.00 31.31 27.03 3f29 n TRP 368 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3f29 n GLY 369 N 3.09 1.66 3.74 6.99 0.00 -1.26 -5.03 105.19 114.38 3f29 n GLY 369 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3f29 n GLY 369 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f29 s SER 370 N -3.31 3.94 0.23 1.61 1.04 -0.82 -4.80 113.70 111.59 3f29 s SER 370 Ca 0.00 1.73 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 3f29 s SER 370 Cb 0.00 -2.39 0.31 0.00 0.10 0.00 0.00 66.02 64.03 3f29 s SER 370 CO 0.00 -2.38 1.82 0.58 0.98 0.00 0.00 173.24 174.24 3f29 h VAL 371 N -1.37 0.97 -0.25 5.02 2.07 -1.88 -0.65 116.25 120.15 3f29 h VAL 371 Ca -0.46 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3f29 h VAL 371 Cb 1.25 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3f29 h VAL 371 CO 0.52 0.14 -0.04 0.45 0.02 0.00 0.00 177.57 178.66 3f29 h HIS 372 N 0.78 0.53 -0.67 1.57 -0.00 -1.91 -2.05 115.15 113.40 3f29 h HIS 372 Ca 0.35 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3f29 h HIS 372 Cb 0.23 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 3f29 h HIS 372 CO -0.06 0.68 0.37 1.49 -0.00 0.00 0.00 177.93 180.40 3f29 h GLU 373 N 0.23 0.93 0.00 2.45 4.22 -1.68 -1.15 114.58 119.59 3f29 h GLU 373 Ca 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 3f29 h GLU 373 Cb 0.49 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3f29 h GLU 373 CO 0.02 0.70 -0.09 0.00 -2.18 0.00 0.00 179.01 177.47 3f29 h ARG 374 N 0.92 0.00 -0.49 1.92 2.47 -1.03 -1.23 114.38 116.93 3f29 h ARG 374 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3f29 h ARG 374 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3f29 h ARG 374 CO -0.04 0.09 0.00 0.09 0.56 0.00 0.00 179.97 180.67 3f29 n ASN 375 N -3.76 2.62 0.00 7.04 3.02 -0.65 -4.93 115.26 118.60 3f29 n ASN 375 Ca -0.02 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 3f29 n ASN 375 Cb 0.19 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3f29 n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f29 n GLY 376 N 1.18 0.49 3.81 7.41 0.00 -0.47 -5.04 105.19 112.58 3f29 n GLY 376 Ca 0.16 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 3f29 n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f29 s VAL 377 N -2.00 4.36 0.18 1.61 1.01 -0.53 -5.02 120.40 120.02 3f29 s VAL 377 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.55 3f29 s VAL 377 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3f29 s VAL 377 CO 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 175.10 174.93 3f29 s ALA 378 N -1.98 1.48 0.27 5.51 0.00 -1.26 -4.31 121.76 121.47 3f29 s ALA 378 Ca 0.57 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 3f29 s ALA 378 Cb -0.12 0.43 0.59 0.00 0.00 0.00 0.00 23.12 24.02 3f29 s ALA 378 CO 0.17 -0.26 1.62 0.00 0.00 0.00 0.00 175.76 177.29 3f29 h ALA 380 N 1.80 1.65 -0.66 0.00 0.00 -1.88 -0.47 119.26 119.71 3f29 h ALA 380 Ca 0.50 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3f29 h ALA 380 Cb 0.95 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3f29 h ALA 380 CO -0.73 0.26 0.43 -0.44 0.00 0.00 0.00 179.25 178.78 3f29 h ASP 381 N 0.00 0.68 0.01 0.00 3.32 -1.39 0.17 116.42 119.21 3f29 h ASP 381 Ca -0.00 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3f29 h ASP 381 Cb 0.37 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3f29 h ASP 381 CO 0.03 0.47 -2.13 0.00 -1.72 0.00 0.00 179.24 175.89 3f29 n HIS 383 N -2.44 0.00 -2.95 0.00 8.25 -0.24 -3.69 115.22 114.15 3f29 n HIS 383 Ca -0.14 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 3f29 n HIS 383 Cb 0.78 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.79 3f29 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f29 n MET 384 N -1.58 0.81 -1.67 -0.41 -0.00 0.01 -2.76 117.12 111.52 3f29 n MET 384 Ca -0.01 -2.47 -0.29 0.00 -0.00 0.00 0.00 57.70 54.93 3f29 n MET 384 Cb 0.14 -1.35 0.10 0.00 -0.00 0.00 0.00 33.22 32.11 3f29 n MET 384 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3f29 s PRO 385 N -0.39 1.79 0.43 3.17 0.04 -0.95 -4.38 135.00 134.71 3f29 s PRO 385 Ca 0.33 0.36 -0.26 0.00 0.04 0.00 0.00 61.00 61.47 3f29 s PRO 385 Cb 0.23 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 3f29 s PRO 385 CO -0.15 -1.77 1.40 0.15 0.04 0.00 0.00 177.00 176.67 3f29 s LYS 386 N -5.33 3.81 0.28 4.56 1.02 -1.26 -1.63 119.74 121.19 3f29 s LYS 386 Ca 0.62 2.36 -0.29 0.00 0.02 0.00 0.00 55.97 58.67 3f29 s LYS 386 Cb -0.13 -2.72 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 3f29 s LYS 386 CO 0.52 -0.69 1.07 0.08 -0.92 0.00 0.00 175.35 175.41 3f29 s VAL 387 N -1.21 3.58 -0.20 3.17 1.01 -0.30 -4.82 120.40 121.63 3f29 s VAL 387 Ca 0.59 1.57 -0.07 0.00 0.00 0.00 0.00 61.98 64.07 3f29 s VAL 387 Cb -0.42 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3f29 s VAL 387 CO 0.55 0.35 0.05 0.00 0.00 0.00 0.00 175.10 176.05 3f29 s GLN 388 N -1.48 3.81 -0.01 2.72 0.00 -1.26 -4.58 119.66 118.86 3f29 s GLN 388 Ca 0.45 -0.42 0.05 0.00 -0.00 0.00 0.00 55.36 55.44 3f29 s GLN 388 Cb -0.31 -3.21 -0.01 0.00 0.00 0.00 0.00 33.01 29.49 3f29 s GLN 388 CO 0.39 0.10 -0.17 -0.51 0.00 0.00 0.00 175.29 175.10 3f29 s LEU 389 N 0.82 2.03 0.27 2.60 1.43 -1.26 -5.02 118.68 119.55 3f29 s LEU 389 Ca 0.03 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3f29 s LEU 389 Cb -0.14 -0.90 0.35 0.00 0.03 0.00 0.00 46.19 45.53 3f29 s LEU 389 CO 0.02 0.21 1.90 -0.33 0.23 0.00 0.00 176.35 178.38 3f29 h GLU 390 N 5.71 1.10 -2.72 1.70 5.08 -2.03 -3.40 114.58 120.02 3f29 h GLU 390 Ca -0.37 -0.12 -0.29 0.00 -1.00 0.00 0.00 59.36 57.59 3f29 h GLU 390 Cb 1.15 -0.22 -0.35 0.00 0.50 0.00 0.00 28.75 29.83 3f29 h GLU 390 CO 0.48 0.80 -0.60 -0.80 -1.00 0.00 0.00 179.01 177.89 3f29 s ASN 391 N -6.33 0.97 0.00 1.42 0.01 -1.26 -5.15 114.94 104.60 3f29 s ASN 391 Ca -0.12 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 3f29 s ASN 391 Cb 0.17 0.45 0.00 0.00 0.41 0.00 0.00 41.25 42.28 3f29 s ASN 391 CO 0.81 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.72 3f29 n GLY 392 N 5.33 0.93 3.66 0.66 0.00 -1.26 -5.10 105.19 109.41 3f29 n GLY 392 Ca -0.05 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3f29 n GLY 392 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f29 s LYS 393 N -2.00 4.26 0.38 1.61 2.20 -1.26 -4.93 119.74 120.01 3f29 s LYS 393 Ca 0.00 1.10 -0.27 0.00 -0.36 0.00 0.00 55.97 56.45 3f29 s LYS 393 Cb 0.00 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 3f29 s LYS 393 CO 0.00 -0.45 1.29 0.54 -0.36 0.00 0.00 175.35 176.37 3f29 s VAL 394 N 2.59 2.69 0.22 4.02 0.11 -1.26 -5.03 120.40 123.73 3f29 s VAL 394 Ca 0.39 0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 60.05 3f29 s VAL 394 Cb -0.16 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 3f29 s VAL 394 CO 0.10 0.11 0.23 -0.72 -3.33 0.00 0.00 175.10 171.49 3f29 s TYR 395 N -1.24 1.00 -0.19 1.54 1.13 -1.26 -5.03 117.35 113.30 3f29 s TYR 395 Ca 0.54 -1.24 -0.18 0.00 -1.41 0.00 0.00 57.07 54.79 3f29 s TYR 395 Cb -0.38 -0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 40.07 3f29 s TYR 395 CO 0.49 -0.75 0.49 0.99 -2.51 0.00 0.00 175.55 174.27 3f29 s THR 396 N -4.06 5.13 0.27 -3.49 2.01 -1.26 -1.15 115.64 113.08 3f29 s THR 396 Ca 0.35 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 3f29 s THR 396 Cb 0.05 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 3f29 s THR 396 CO 0.12 0.20 1.60 -0.55 -0.69 0.00 0.00 174.62 175.30 3f29 s SER 397 N 1.09 6.41 -0.15 3.53 0.15 -0.65 -4.80 113.70 119.29 3f29 s SER 397 Ca 0.23 2.89 0.15 0.00 0.70 0.00 0.00 55.95 59.93 3f29 s SER 397 Cb -0.15 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.08 3f29 s SER 397 CO 0.09 -0.90 1.46 1.41 1.20 0.00 0.00 173.24 176.50 3f29 n HIS 398 N 2.55 1.06 -2.98 3.44 8.25 -1.26 -4.45 115.22 121.83 3f29 n HIS 398 Ca 0.09 -0.76 -0.44 0.00 -0.26 0.00 0.00 57.72 56.35 3f29 n HIS 398 Cb 0.37 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3f29 n HIS 398 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f29 s SER 399 N -1.52 6.35 -0.48 0.41 0.15 -1.20 -3.66 113.70 113.75 3f29 s SER 399 Ca 0.41 -1.55 -0.28 0.00 0.70 0.00 0.00 55.95 55.23 3f29 s SER 399 Cb 0.31 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 62.28 3f29 s SER 399 CO 0.13 -1.18 1.11 -1.10 1.20 0.00 0.00 173.24 173.39 3f29 s GLN 400 N 3.02 3.68 0.32 5.44 1.11 -1.26 -4.62 119.66 127.37 3f29 s GLN 400 Ca 0.22 0.49 -0.16 0.00 0.01 0.00 0.00 55.36 55.92 3f29 s GLN 400 Cb -0.15 -3.92 0.03 0.00 -1.01 0.00 0.00 33.01 27.96 3f29 s GLN 400 CO 0.02 -1.37 0.68 -0.98 0.01 0.00 0.00 175.29 173.65 3f29 s ARG 401 N 4.37 1.94 0.41 2.91 1.70 -1.11 -4.78 118.95 124.38 3f29 s ARG 401 Ca 0.46 -1.29 -0.27 0.00 -0.47 0.00 0.00 55.73 54.16 3f29 s ARG 401 Cb -0.08 0.58 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 3f29 s ARG 401 CO 0.31 -0.88 1.42 -2.37 -1.08 0.00 0.00 175.30 172.70 3f29 n THR 402 N -0.49 2.40 0.27 4.99 5.66 -1.26 -4.50 114.28 121.36 3f29 n THR 402 Ca -0.05 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.62 3f29 n THR 402 Cb 0.60 -1.83 0.88 0.00 -1.55 0.00 0.00 70.33 68.44 3f29 n THR 402 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 3f29 h PRO 403 N 2.52 0.00 -0.71 1.09 0.13 -1.93 -2.87 132.00 130.23 3f29 h PRO 403 Ca -0.50 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.84 3f29 h PRO 403 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 3f29 h PRO 403 CO 0.62 0.00 0.56 0.00 -0.23 0.00 0.00 178.00 178.95 3f29 h ARG 404 N 0.00 0.00 -0.00 0.86 3.08 -1.90 0.47 114.38 116.89 3f29 h ARG 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3f29 h ARG 404 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3f29 h ARG 404 CO 0.00 0.00 -0.05 -0.25 -1.07 0.00 0.00 179.97 178.60 3f29 n ASP 405 N -4.13 0.07 -2.73 7.04 9.92 -1.09 -4.27 116.55 121.36 3f29 n ASP 405 Ca 0.14 0.20 -0.08 0.00 -0.53 0.00 0.00 54.79 54.51 3f29 n ASP 405 Cb 0.82 -0.35 0.09 0.00 -0.64 0.00 0.00 41.12 41.04 3f29 n ASP 405 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 3f29 n MET 406 N -1.41 1.14 0.07 -1.24 0.00 0.09 -4.99 117.12 110.78 3f29 n MET 406 Ca 0.09 -2.21 0.03 0.00 0.00 0.00 0.00 57.70 55.62 3f29 n MET 406 Cb 0.31 -0.57 0.43 0.00 0.00 0.00 0.00 33.22 33.39 3f29 n MET 406 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 3f29 h MET 407 N 2.45 0.38 -0.39 3.17 2.86 -1.56 0.53 114.93 122.37 3f29 h MET 407 Ca -0.19 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 3f29 h MET 407 Cb 1.22 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 3f29 h MET 407 CO 0.11 0.34 0.14 0.78 1.06 0.00 0.00 176.91 179.34 3f29 h GLY 408 N 0.56 0.50 1.17 8.32 0.00 -1.94 -0.26 103.07 111.42 3f29 h GLY 408 Ca 0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 3f29 h GLY 408 CO -0.01 0.04 -1.36 1.46 0.00 0.00 0.00 176.54 176.67 3f29 h GLN 409 N 0.31 0.00 0.00 4.80 7.50 -1.80 -2.48 115.11 123.44 3f29 h GLN 409 Ca 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.28 3f29 h GLN 409 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 3f29 h GLN 409 CO -0.17 0.42 -1.19 0.00 -1.50 0.00 0.00 178.83 176.39 3f29 n ALA 410 N -2.42 2.40 0.03 3.87 0.00 0.13 -4.72 120.51 119.80 3f29 n ALA 410 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3f29 n ALA 410 Cb 0.89 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3f29 n ALA 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f29 h LEU 412 N 0.00 0.00 -1.18 0.00 3.38 -1.12 -0.40 115.31 115.99 3f29 h LEU 412 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3f29 h LEU 412 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3f29 h LEU 412 CO 0.00 0.14 0.03 0.78 0.09 0.00 0.00 178.44 179.48 3f29 h ASN 413 N 0.00 0.56 0.25 -0.43 2.35 -1.68 -3.00 115.58 113.63 3f29 h ASN 413 Ca -0.00 -0.10 -0.34 0.00 -0.55 0.00 0.00 56.30 55.30 3f29 h ASN 413 Cb 0.92 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.16 3f29 h ASN 413 CO 0.02 0.61 -1.67 0.00 -1.65 0.00 0.00 177.43 174.74 3f29 n HIS 415 N -3.60 2.35 0.31 0.00 8.25 -0.20 -4.84 115.22 117.49 3f29 n HIS 415 Ca -0.22 -2.71 0.17 0.00 -0.26 0.00 0.00 57.72 54.70 3f29 n HIS 415 Cb 1.08 -1.18 0.99 0.00 1.12 0.00 0.00 29.99 31.99 3f29 n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f29 h ALA 416 N 5.29 1.32 0.00 -1.41 0.00 -1.78 -2.55 119.26 120.13 3f29 h ALA 416 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3f29 h ALA 416 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3f29 h ALA 416 CO 1.29 0.02 0.00 -0.85 0.00 0.00 0.00 179.25 179.71 3f29 n GLU 417 N -3.56 0.17 -4.37 0.00 0.00 -1.26 -4.84 120.64 106.77 3f29 n GLU 417 Ca -0.03 0.11 -0.30 0.00 0.00 0.00 0.00 57.16 56.95 3f29 n GLU 417 Cb 0.10 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.93 3f29 n GLU 417 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3f29 s TRP 418 N -2.76 2.51 0.70 -1.84 0.51 -0.96 -5.12 118.94 111.98 3f29 s TRP 418 Ca 0.15 -0.27 -0.08 0.00 -2.12 0.00 0.00 56.10 53.79 3f29 s TRP 418 Cb 0.14 -1.35 0.05 0.00 -0.81 0.00 0.00 33.47 31.49 3f29 s TRP 418 CO 0.35 0.36 1.02 0.95 -0.51 0.00 0.00 176.95 179.12 3f29 s THR 419 N -1.10 2.58 0.19 2.01 -4.23 -1.26 -4.93 115.64 108.90 3f29 s THR 419 Ca 0.17 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.43 3f29 s THR 419 Cb -0.10 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.72 3f29 s THR 419 CO 0.09 -0.13 1.75 -0.08 -0.54 0.00 0.00 174.62 175.71 3f29 h GLU 420 N -0.58 0.39 -0.88 3.99 4.81 -1.97 -1.72 114.58 118.62 3f29 h GLU 420 Ca -0.45 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3f29 h GLU 420 Cb 1.30 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3f29 h GLU 420 CO 0.61 0.26 0.58 -0.44 -0.73 0.00 0.00 179.01 179.29 3f29 h ASP 421 N 0.40 1.01 -0.40 1.04 3.32 -1.99 -0.75 116.42 119.05 3f29 h ASP 421 Ca 0.26 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 3f29 h ASP 421 Cb 0.28 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3f29 h ASP 421 CO -0.25 0.73 -0.25 1.56 -1.72 0.00 0.00 179.24 179.31 3f29 h GLN 422 N 1.19 0.88 -0.43 3.56 4.20 -1.84 -1.21 115.11 121.47 3f29 h GLN 422 Ca 0.32 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3f29 h GLN 422 Cb -0.14 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3f29 h GLN 422 CO -0.07 1.05 0.21 0.00 -0.67 0.00 0.00 178.83 179.36 3f29 h ALA 423 N 0.80 0.55 -0.86 3.87 0.00 -0.83 -1.61 119.26 121.18 3f29 h ALA 423 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3f29 h ALA 423 Cb 0.82 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3f29 h ALA 423 CO 0.07 0.11 0.53 -0.07 0.00 0.00 0.00 179.25 179.89 3f29 h LEU 424 N 0.55 1.03 -0.87 0.00 3.38 -1.10 -2.17 115.31 116.13 3f29 h LEU 424 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3f29 h LEU 424 Cb 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3f29 h LEU 424 CO -0.02 0.78 0.48 0.22 0.09 0.00 0.00 178.44 179.99 3f29 h TYR 425 N 1.18 1.19 -0.64 1.13 3.20 -0.89 -0.69 116.97 121.45 3f29 h TYR 425 Ca 0.31 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 3f29 h TYR 425 Cb -0.06 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 37.80 3f29 h TYR 425 CO -0.00 0.83 0.12 0.00 -1.64 0.00 0.00 178.16 177.46 3f29 h ALA 426 N 1.26 0.84 0.12 1.82 0.00 -0.95 0.09 119.26 122.45 3f29 h ALA 426 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3f29 h ALA 426 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3f29 h ALA 426 CO -0.05 0.59 -0.06 0.82 0.00 0.00 0.00 179.25 180.55 3f29 h ILE 427 N 0.96 0.90 -0.49 0.00 2.04 -0.98 -2.99 117.51 116.94 3f29 h ILE 427 Ca 0.20 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3f29 h ILE 427 Cb 0.41 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3f29 h ILE 427 CO 0.01 0.02 0.08 0.44 0.00 0.00 0.00 178.15 178.70 3f29 h ASP 428 N -0.20 0.72 -0.26 1.72 3.32 -0.99 -0.90 116.42 119.83 3f29 h ASP 428 Ca -0.02 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.96 3f29 h ASP 428 Cb 0.15 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 3f29 h ASP 428 CO 0.03 0.74 -0.17 0.22 -1.72 0.00 0.00 179.24 178.34 3f29 h TYR 429 N 0.73 -0.42 -0.17 4.55 5.03 -0.90 0.31 116.97 126.11 3f29 h TYR 429 Ca 0.16 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 3f29 h TYR 429 Cb 0.33 0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 3f29 h TYR 429 CO 0.02 -0.24 0.07 0.82 -1.32 0.00 0.00 178.16 177.51 3f29 h ILE 430 N -0.15 1.16 -0.61 1.81 2.04 -1.31 -1.94 117.51 118.50 3f29 h ILE 430 Ca 0.14 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3f29 h ILE 430 Cb 0.36 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3f29 h ILE 430 CO -0.35 0.15 0.09 0.11 0.00 0.00 0.00 178.15 178.15 3f29 h LYS 431 N 0.12 1.02 -0.33 2.37 1.57 -0.90 -0.08 116.57 120.35 3f29 h LYS 431 Ca 0.06 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3f29 h LYS 431 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3f29 h LYS 431 CO -0.00 0.96 0.14 -0.91 -0.57 0.00 0.00 179.45 179.07 3f29 h ASN 432 N 0.93 0.44 -0.17 0.86 2.35 -0.41 -0.55 115.58 119.03 3f29 h ASN 432 Ca 0.18 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3f29 h ASN 432 Cb 0.44 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3f29 h ASN 432 CO 0.01 0.47 0.07 0.22 -1.65 0.00 0.00 177.43 176.55 3f29 h TYR 433 N 0.38 0.26 -0.39 1.19 3.20 -1.15 -1.88 116.97 118.58 3f29 h TYR 433 Ca 0.11 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3f29 h TYR 433 Cb 0.15 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3f29 h TYR 433 CO -0.01 0.32 0.20 1.15 -1.64 0.00 0.00 178.16 178.18 3f29 h THR 434 N 0.12 1.16 -0.94 1.81 2.02 -0.93 -2.46 112.91 113.70 3f29 h THR 434 Ca 0.06 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3f29 h THR 434 Cb 0.17 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3f29 h THR 434 CO -0.00 0.17 0.55 -0.74 0.37 0.00 0.00 175.52 175.87 3f29 h HIS 435 N 0.50 1.25 -0.77 3.16 -0.00 -1.03 0.48 115.15 118.74 3f29 h HIS 435 Ca 0.14 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.58 3f29 h HIS 435 Cb 0.09 -0.41 -0.07 0.00 -0.00 0.00 0.00 27.41 27.03 3f29 h HIS 435 CO -0.02 0.84 0.43 0.78 -0.00 0.00 0.00 177.93 179.97 3f29 h GLY 436 N 1.30 1.18 1.84 5.26 0.00 -1.03 -0.24 103.07 111.38 3f29 h GLY 436 Ca 0.33 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 3f29 h GLY 436 CO -0.06 0.13 -0.70 0.50 0.00 0.00 0.00 176.54 176.42 3f29 h LYS 437 N 0.75 0.16 -0.03 4.80 1.79 -0.82 -1.47 116.57 121.74 3f29 h LYS 437 Ca 0.37 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 3f29 h LYS 437 Cb 0.31 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 3f29 h LYS 437 CO -0.23 0.79 -0.00 0.82 -1.08 0.00 0.00 179.45 179.75 3f29 h ILE 438 N 0.11 0.98 -0.64 1.86 2.04 -0.44 0.33 117.51 121.74 3f29 h ILE 438 Ca -0.02 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3f29 h ILE 438 Cb 1.24 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3f29 h ILE 438 CO 0.10 0.00 0.42 0.58 0.00 0.00 0.00 178.15 179.25 3f29 h VAL 439 N 0.01 1.17 -0.54 1.67 2.07 -0.88 -0.66 116.25 119.09 3f29 h VAL 439 Ca 0.01 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3f29 h VAL 439 Cb 0.02 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3f29 h VAL 439 CO -0.03 0.16 0.02 0.11 0.02 0.00 0.00 177.57 177.86 3f29 h LYS 440 N 0.87 0.90 -0.83 1.57 1.57 -1.16 -0.37 116.57 119.12 3f29 h LYS 440 Ca 0.23 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3f29 h LYS 440 Cb -0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 3f29 h LYS 440 CO -0.05 0.88 0.46 0.77 -0.57 0.00 0.00 179.45 180.94 3f29 h SER 441 N 0.84 1.03 -0.54 0.86 0.02 -0.38 -2.00 113.55 113.38 3f29 h SER 441 Ca 0.16 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3f29 h SER 441 Cb 0.46 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3f29 h SER 441 CO 0.02 0.83 -0.12 -0.33 -1.14 0.00 0.00 176.83 176.09 3f29 h GLU 442 N 1.15 1.03 -0.26 3.45 5.08 -0.81 -0.98 114.58 123.24 3f29 h GLU 442 Ca 0.29 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3f29 h GLU 442 Cb 0.02 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3f29 h GLU 442 CO -0.05 1.08 0.02 -0.92 -1.00 0.00 0.00 179.01 178.14 3f29 h TYR 443 N 0.92 0.02 -0.37 4.33 3.20 -0.77 0.27 116.97 124.56 3f29 h TYR 443 Ca 0.14 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 3f29 h TYR 443 Cb 0.69 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3f29 h TYR 443 CO 0.05 -0.02 -0.37 -1.49 -1.64 0.00 0.00 178.16 174.69 3f29 h TRP 444 N 0.10 1.06 -0.44 -3.82 4.06 -1.30 -1.54 115.95 114.07 3f29 h TRP 444 Ca 0.12 -0.31 0.01 0.00 2.06 0.00 0.00 58.89 60.77 3f29 h TRP 444 Cb 0.15 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 3f29 h TRP 444 CO -0.19 1.12 0.29 -0.07 -3.56 0.00 0.00 178.44 176.03 3f29 h LEU 445 N 0.73 0.50 -0.82 -4.49 3.38 -1.04 -1.54 115.31 112.02 3f29 h LEU 445 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3f29 h LEU 445 Cb 0.95 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3f29 h LEU 445 CO 0.09 0.36 0.14 0.00 0.09 0.00 0.00 178.44 179.13 3f29 h ALA 446 N 1.16 1.04 -0.22 1.53 0.00 -0.85 0.57 119.26 122.49 3f29 h ALA 446 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3f29 h ALA 446 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3f29 h ALA 446 CO -0.04 0.63 0.12 -0.22 0.00 0.00 0.00 179.25 179.74 3f29 h LYS 447 N 0.97 0.30 0.15 0.00 3.64 -1.05 -0.78 116.57 119.81 3f29 h LYS 447 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3f29 h LYS 447 Cb 0.36 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3f29 h LYS 447 CO 0.00 0.27 -0.14 1.98 -2.27 0.00 0.00 179.45 179.30 3f29 h MET 448 N 0.25 -0.30 -0.80 1.90 4.05 -1.06 -2.94 114.93 116.02 3f29 h MET 448 Ca 0.08 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.62 3f29 h MET 448 Cb 0.06 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.85 3f29 h MET 448 CO -0.01 -0.20 0.43 0.82 0.23 0.00 0.00 176.91 178.18 3f29 h ILE 449 N -0.31 0.85 0.00 1.77 2.04 -0.73 -1.20 117.51 119.93 3f29 h ILE 449 Ca -0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3f29 h ILE 449 Cb 0.29 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3f29 h ILE 449 CO -0.03 0.13 -0.07 0.44 0.00 0.00 0.00 178.15 178.62 3f29 h ASP 450 N 0.70 0.00 1.48 1.72 3.32 -1.06 -2.56 116.42 120.01 3f29 h ASP 450 Ca 0.40 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 3f29 h ASP 450 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3f29 h ASP 450 CO -0.28 0.07 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.03 3f29 h LEU 451 N 0.00 0.00 0.04 1.55 3.38 -1.04 -3.37 115.31 115.87 3f29 h LEU 451 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f29 h LEU 451 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3f29 h LEU 451 CO 0.01 0.21 -0.02 -0.26 0.09 0.00 0.00 178.44 178.47 3f29 h PHE 452 N 0.00 -0.05 -0.69 1.13 -1.00 -1.42 0.14 116.94 115.05 3f29 h PHE 452 Ca -0.00 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 3f29 h PHE 452 Cb 1.01 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.55 3f29 h PHE 452 CO 0.00 0.01 0.27 -1.35 -1.61 0.00 0.00 178.31 175.63 3f29 h PRO 453 N -0.10 1.02 -0.01 1.51 0.11 -1.75 0.69 132.00 133.47 3f29 h PRO 453 Ca -0.01 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 65.94 3f29 h PRO 453 Cb 0.08 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3f29 h PRO 453 CO 0.01 0.84 -0.03 0.28 -0.21 0.00 0.00 178.00 178.88 3f29 h VAL 454 N 1.00 0.91 -0.11 3.15 2.07 -1.66 -0.84 116.25 120.77 3f29 h VAL 454 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 3f29 h VAL 454 Cb 0.20 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3f29 h VAL 454 CO -0.02 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.64 3f29 h ALA 455 N 0.96 0.14 -0.33 1.67 0.00 -0.47 -0.43 119.26 120.81 3f29 h ALA 455 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3f29 h ALA 455 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3f29 h ALA 455 CO -0.04 -0.35 0.05 0.87 0.00 0.00 0.00 179.25 179.77 3f29 h LYS 456 N 0.12 0.15 0.00 0.00 6.56 -0.82 -1.37 116.57 121.20 3f29 h LYS 456 Ca 0.04 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 3f29 h LYS 456 Cb 0.02 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 3f29 h LYS 456 CO -0.01 0.10 -0.18 0.00 -2.06 0.00 0.00 179.45 177.30 3f29 h ARG 457 N 0.16 0.00 -0.00 3.15 3.08 -0.93 -1.99 114.38 117.85 3f29 h ARG 457 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3f29 h ARG 457 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3f29 h ARG 457 CO -0.22 0.18 -0.07 0.00 -1.07 0.00 0.00 179.97 178.80 3f29 n ALA 458 N -2.21 2.68 -0.97 0.04 0.00 -0.19 -4.92 120.51 114.93 3f29 n ALA 458 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3f29 n ALA 458 Cb 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3f29 n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f29 n GLY 459 N 1.24 0.46 3.72 0.00 0.00 -0.75 -4.84 105.19 105.02 3f29 n GLY 459 Ca 0.16 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3f29 n GLY 459 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f29 n VAL 460 N -2.96 2.22 -2.13 1.61 0.31 -0.57 -4.94 118.33 111.88 3f29 n VAL 460 Ca 0.00 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.49 3f29 n VAL 460 Cb 0.04 -1.67 0.01 0.00 -0.91 0.00 0.00 33.84 31.31 3f29 n VAL 460 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3f29 s SER 461 N -0.35 5.66 0.43 4.52 1.04 -1.26 -4.77 113.70 118.97 3f29 s SER 461 Ca 0.57 2.02 0.12 0.00 0.48 0.00 0.00 55.95 59.14 3f29 s SER 461 Cb -0.52 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.01 3f29 s SER 461 CO 0.61 -1.25 2.00 -0.33 0.98 0.00 0.00 173.24 175.25 3f29 h GLU 462 N 0.80 0.44 -0.41 4.02 4.39 -1.98 -1.40 114.58 120.44 3f29 h GLU 462 Ca -0.48 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.21 3f29 h GLU 462 Cb 1.24 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 3f29 h GLU 462 CO 0.57 0.29 0.23 -0.44 -1.16 0.00 0.00 179.01 178.50 3f29 h ASP 463 N 0.46 0.36 -0.33 1.42 3.32 -1.99 0.26 116.42 119.91 3f29 h ASP 463 Ca 0.24 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3f29 h ASP 463 Cb 0.35 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3f29 h ASP 463 CO -0.06 0.26 -0.19 0.58 -1.72 0.00 0.00 179.24 178.11 3f29 h VAL 464 N 0.46 1.29 -0.82 -1.35 2.07 -1.80 -1.93 116.25 114.18 3f29 h VAL 464 Ca 0.17 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3f29 h VAL 464 Cb 0.04 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3f29 h VAL 464 CO -0.09 0.43 0.44 -0.07 0.02 0.00 0.00 177.57 178.29 3f29 h LEU 465 N 0.48 1.04 -0.79 2.57 3.38 -0.95 -0.82 115.31 120.21 3f29 h LEU 465 Ca 0.07 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3f29 h LEU 465 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3f29 h LEU 465 CO 0.05 0.85 -0.08 0.78 0.09 0.00 0.00 178.44 180.14 3f29 h ASN 466 N 1.15 0.82 -0.41 -0.43 -0.26 -0.44 0.80 115.58 116.80 3f29 h ASN 466 Ca 0.29 -0.24 0.03 0.00 -0.56 0.00 0.00 56.30 55.83 3f29 h ASN 466 Cb 0.05 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.05 3f29 h ASN 466 CO -0.04 0.93 0.20 -0.61 -1.06 0.00 0.00 177.43 176.84 3f29 h GLN 467 N 0.76 0.39 -0.45 0.81 4.15 -0.95 -1.25 115.11 118.57 3f29 h GLN 467 Ca 0.13 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 3f29 h GLN 467 Cb 0.57 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 3f29 h GLN 467 CO 0.03 0.26 -0.03 0.00 -1.93 0.00 0.00 178.83 177.16 3f29 h ALA 468 N 1.22 1.11 -0.60 3.38 0.00 -0.77 -2.61 119.26 121.00 3f29 h ALA 468 Ca 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3f29 h ALA 468 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3f29 h ALA 468 CO -0.13 0.56 0.26 0.00 0.00 0.00 0.00 179.25 179.94 3f29 h ARG 469 N 0.70 0.85 -0.38 0.00 3.08 -0.53 0.31 114.38 118.40 3f29 h ARG 469 Ca 0.13 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3f29 h ARG 469 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3f29 h ARG 469 CO 0.02 0.68 -0.22 0.93 -1.07 0.00 0.00 179.97 180.32 3f29 h GLU 470 N 0.85 0.75 -0.45 0.04 4.39 -1.01 -2.26 114.58 116.89 3f29 h GLU 470 Ca 0.21 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 3f29 h GLU 470 Cb 0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3f29 h GLU 470 CO -0.02 0.91 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.53 3f29 h LEU 471 N 0.66 0.84 -0.57 1.33 3.38 -1.07 -3.06 115.31 116.82 3f29 h LEU 471 Ca 0.09 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3f29 h LEU 471 Cb 0.72 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3f29 h LEU 471 CO 0.06 0.98 0.29 -0.74 0.09 0.00 0.00 178.44 179.12 3f29 h HIS 472 N 0.75 0.54 -0.37 1.13 2.76 -0.61 0.64 115.15 119.99 3f29 h HIS 472 Ca 0.12 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3f29 h HIS 472 Cb 0.64 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.37 3f29 h HIS 472 CO 0.04 0.25 -0.13 -0.92 -1.30 0.00 0.00 177.93 175.87 3f29 h TYR 473 N 0.56 -0.29 -0.22 5.26 5.03 -1.31 0.15 116.97 126.14 3f29 h TYR 473 Ca 0.25 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.51 3f29 h TYR 473 Cb 0.16 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 3f29 h TYR 473 CO -0.10 -0.20 -0.20 -0.44 -1.32 0.00 0.00 178.16 175.90 3f29 h ASP 474 N -0.05 0.56 -0.97 -2.11 3.32 -1.45 -1.31 116.42 114.41 3f29 h ASP 474 Ca 0.18 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.78 3f29 h ASP 474 Cb 0.33 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3f29 h ASP 474 CO -0.41 0.91 0.65 0.00 -1.72 0.00 0.00 179.24 178.67 3f29 h ALA 475 N 0.66 1.24 0.28 3.45 0.00 -0.60 -1.89 119.26 122.40 3f29 h ALA 475 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3f29 h ALA 475 Cb 0.75 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3f29 h ALA 475 CO 0.05 0.63 -0.13 1.25 0.00 0.00 0.00 179.25 181.05 3f29 h HIS 476 N 1.32 -0.35 -0.45 0.00 -0.00 -0.65 -2.78 115.15 112.24 3f29 h HIS 476 Ca 0.36 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.80 3f29 h HIS 476 Cb -0.15 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.30 3f29 h HIS 476 CO -0.00 -0.06 0.01 1.25 -0.00 0.00 0.00 177.93 179.13 3f29 h LEU 477 N -0.61 -0.16 -0.04 0.26 5.85 -1.07 0.35 115.31 119.89 3f29 h LEU 477 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3f29 h LEU 477 Cb 0.44 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3f29 h LEU 477 CO 0.06 -0.05 0.00 -1.22 -0.34 0.00 0.00 178.44 176.90 3f29 n TYR 478 N -5.20 0.16 -0.10 1.25 4.01 -0.72 -2.60 117.16 113.96 3f29 n TYR 478 Ca 0.04 0.05 -0.18 0.00 -0.16 0.00 0.00 57.90 57.65 3f29 n TYR 478 Cb 0.24 -0.59 -0.08 0.00 -0.31 0.00 0.00 39.34 38.60 3f29 n TYR 478 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 3f29 n TRP 479 N -1.64 0.59 0.23 -0.72 -0.00 -0.84 -3.73 117.44 111.33 3f29 n TRP 479 Ca 0.06 0.26 0.08 0.00 -0.00 0.00 0.00 57.50 57.90 3f29 n TRP 479 Cb 0.30 -0.92 0.53 0.00 -0.00 0.00 0.00 31.31 31.23 3f29 n TRP 479 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3f29 h GLU 480 N -1.00 0.00 -1.00 5.87 4.81 -0.29 -1.47 114.58 121.50 3f29 h GLU 480 Ca -0.32 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.16 3f29 h GLU 480 Cb 1.17 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 3f29 h GLU 480 CO -0.19 0.23 0.59 2.35 -0.73 0.00 0.00 179.01 181.27 3f29 h TRP 481 N 0.00 1.01 0.00 0.92 2.91 -1.72 -0.74 115.95 118.33 3f29 h TRP 481 Ca -0.00 0.04 -0.19 0.00 1.13 0.00 0.00 58.89 59.87 3f29 h TRP 481 Cb 0.54 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.87 3f29 h TRP 481 CO 0.00 0.05 -1.31 -1.49 -1.03 0.00 0.00 178.44 174.66 3f29 h TRP 482 N 0.56 0.00 0.00 2.65 4.06 -1.56 -0.35 115.95 121.31 3f29 h TRP 482 Ca 0.65 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.41 3f29 h TRP 482 Cb 1.26 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.39 3f29 h TRP 482 CO -0.01 0.68 -0.91 1.79 -3.56 0.00 0.00 178.44 176.43 3f29 h THR 483 N 0.00 1.66 -0.36 1.49 1.35 -1.52 -3.27 112.91 112.25 3f29 h THR 483 Ca -0.15 -3.13 -0.14 0.00 -0.55 0.00 0.00 66.41 62.44 3f29 h THR 483 Cb 1.66 2.69 -0.01 0.00 -1.73 0.00 0.00 68.15 70.76 3f29 h THR 483 CO 0.06 0.89 -0.32 0.00 -0.25 0.00 0.00 175.52 175.90 3f29 h ALA 484 N 1.09 0.53 -2.75 6.62 0.00 -1.12 -3.45 119.26 120.18 3f29 h ALA 484 Ca -0.01 -0.42 -0.49 0.00 0.00 0.00 0.00 54.91 53.98 3f29 h ALA 484 Cb 1.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3f29 h ALA 484 CO 0.12 0.58 0.40 -2.00 0.00 0.00 0.00 179.25 178.35 3f29 s GLU 485 N -4.43 4.74 0.00 0.00 -6.30 -0.15 -3.01 118.70 109.55 3f29 s GLU 485 Ca -0.12 1.59 0.24 0.00 -2.50 0.00 0.00 54.97 54.19 3f29 s GLU 485 Cb 0.10 -3.20 0.36 0.00 0.00 0.00 0.00 34.13 31.40 3f29 s GLU 485 CO 0.86 0.37 1.31 0.09 0.02 0.00 0.00 175.26 177.92 3f29 n ASN 486 N 1.28 0.86 -0.33 -1.70 3.02 -1.26 -4.03 115.26 113.10 3f29 n ASN 486 Ca -0.01 -0.67 0.13 0.00 -0.03 0.00 0.00 54.58 54.00 3f29 n ASN 486 Cb 0.46 0.40 0.41 0.00 -0.61 0.00 0.00 39.78 40.44 3f29 n ASN 486 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3f29 n SER 487 N -1.17 1.22 -3.88 6.41 3.41 -1.26 -4.94 113.62 113.41 3f29 n SER 487 Ca 0.07 -1.10 -0.25 0.00 -0.26 0.00 0.00 58.87 57.33 3f29 n SER 487 Cb 0.35 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3f29 n SER 487 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3f29 n VAL 488 N -0.36 -3.28 0.00 -3.33 0.31 -1.26 -1.83 118.33 108.59 3f29 n VAL 488 Ca 0.14 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3f29 n VAL 488 Cb 0.36 -3.02 0.00 0.00 -0.91 0.00 0.00 33.84 30.27 3f29 n VAL 488 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f29 n GLY 489 N -1.75 3.16 0.35 2.92 0.00 -1.26 -4.03 105.19 104.58 3f29 n GLY 489 Ca -0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.85 3f29 n GLY 489 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f29 h PHE 490 N 0.00 0.71 0.00 1.61 3.57 -1.69 -1.24 116.94 119.91 3f29 h PHE 490 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3f29 h PHE 490 Cb 0.00 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3f29 h PHE 490 CO 0.00 0.39 -0.14 0.45 -2.23 0.00 0.00 178.31 176.78 3f29 h HIS 491 N 0.72 0.00 -0.58 0.41 3.86 -1.91 -3.37 115.15 114.27 3f29 h HIS 491 Ca 0.28 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 3f29 h HIS 491 Cb 0.20 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.52 3f29 h HIS 491 CO -0.00 0.14 -0.41 -1.71 0.86 0.00 0.00 177.93 176.81 3f29 n ASN 492 N -3.51 -2.92 -0.17 2.45 2.85 -0.73 -4.51 115.26 108.72 3f29 n ASN 492 Ca -0.01 -2.67 -0.02 0.00 -0.11 0.00 0.00 54.58 51.77 3f29 n ASN 492 Cb 0.29 1.57 0.20 0.00 1.24 0.00 0.00 39.78 43.08 3f29 n ASN 492 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3f29 h PRO 493 N 4.53 0.91 -0.38 1.20 0.13 -1.44 -1.79 132.00 135.17 3f29 h PRO 493 Ca -0.02 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 3f29 h PRO 493 Cb 1.10 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3f29 h PRO 493 CO 0.06 0.73 -0.16 -0.44 -0.23 0.00 0.00 178.00 177.96 3f29 h ASP 494 N 0.90 0.70 -0.24 1.44 3.32 -1.97 -1.91 116.42 118.65 3f29 h ASP 494 Ca 0.22 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3f29 h ASP 494 Cb 0.15 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3f29 h ASP 494 CO -0.02 0.87 -0.32 -0.61 -1.72 0.00 0.00 179.24 177.44 3f29 h GLN 495 N 0.63 0.64 -0.55 3.56 4.15 -1.87 -1.83 115.11 119.85 3f29 h GLN 495 Ca 0.10 -0.37 0.06 0.00 0.77 0.00 0.00 58.65 59.22 3f29 h GLN 495 Cb 0.62 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 3f29 h GLN 495 CO 0.04 0.98 0.25 0.00 -1.93 0.00 0.00 178.83 178.17 3f29 h ALA 496 N 0.66 0.70 -0.07 3.38 0.00 -1.22 -0.13 119.26 122.58 3f29 h ALA 496 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3f29 h ALA 496 Cb 0.90 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3f29 h ALA 496 CO 0.07 -0.13 0.04 -0.09 0.00 0.00 0.00 179.25 179.14 3f29 h ARG 497 N 0.47 0.09 -0.57 0.00 2.43 -1.28 0.69 114.38 116.20 3f29 h ARG 497 Ca 0.26 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3f29 h ARG 497 Cb 0.23 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3f29 h ARG 497 CO -0.21 0.14 0.23 1.49 -1.51 0.00 0.00 179.97 180.11 3f29 h GLU 498 N 0.02 0.85 -0.07 0.20 4.81 -1.07 -1.49 114.58 117.84 3f29 h GLU 498 Ca 0.02 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3f29 h GLU 498 Cb 0.07 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3f29 h GLU 498 CO -0.00 0.73 0.02 1.03 -0.73 0.00 0.00 179.01 180.06 3f29 h SER 499 N 0.79 0.11 -0.37 1.04 0.87 -0.81 -1.80 113.55 113.37 3f29 h SER 499 Ca 0.19 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 3f29 h SER 499 Cb 0.19 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3f29 h SER 499 CO -0.02 0.30 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.43 3f29 h LEU 500 N -0.09 0.79 -1.18 2.23 3.38 -0.78 0.14 115.31 119.79 3f29 h LEU 500 Ca 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3f29 h LEU 500 Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3f29 h LEU 500 CO -0.00 0.90 0.22 0.24 0.09 0.00 0.00 178.44 179.89 3f29 h MET 501 N 0.73 0.79 -0.46 1.13 2.86 -1.22 -1.86 114.93 116.89 3f29 h MET 501 Ca 0.13 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3f29 h MET 501 Cb 0.56 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3f29 h MET 501 CO 0.03 0.65 0.11 1.15 1.06 0.00 0.00 176.91 179.92 3f29 h THR 502 N 0.78 1.24 -0.17 2.22 2.02 -0.49 -1.21 112.91 117.29 3f29 h THR 502 Ca 0.19 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.59 3f29 h THR 502 Cb 0.15 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3f29 h THR 502 CO -0.02 0.29 -0.07 -1.28 0.37 0.00 0.00 175.52 174.81 3f29 h SER 503 N 0.62 -0.25 -0.78 4.18 0.87 -0.61 -0.36 113.55 117.21 3f29 h SER 503 Ca 0.15 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3f29 h SER 503 Cb 0.32 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 3f29 h SER 503 CO 0.00 -0.10 0.47 0.40 -0.53 0.00 0.00 176.83 177.07 3f29 h ILE 504 N -0.05 1.22 -0.52 2.23 2.04 -1.25 -0.81 117.51 120.36 3f29 h ILE 504 Ca 0.09 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3f29 h ILE 504 Cb 0.19 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3f29 h ILE 504 CO -0.21 0.23 0.33 0.28 0.00 0.00 0.00 178.15 178.78 3f29 h SER 505 N 1.07 0.55 -0.19 1.72 0.02 -0.72 -0.23 113.55 115.77 3f29 h SER 505 Ca 0.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3f29 h SER 505 Cb -0.04 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3f29 h SER 505 CO -0.05 0.40 0.07 0.11 -1.14 0.00 0.00 176.83 176.21 3f29 h LYS 506 N 0.66 0.29 -0.65 3.45 1.79 -0.66 -2.03 116.57 119.42 3f29 h LYS 506 Ca 0.20 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3f29 h LYS 506 Cb -0.03 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 3f29 h LYS 506 CO -0.07 0.38 0.42 0.77 -1.08 0.00 0.00 179.45 179.88 3f29 h SER 507 N 0.15 0.76 -0.93 0.86 0.02 -0.98 -1.47 113.55 111.96 3f29 h SER 507 Ca 0.06 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3f29 h SER 507 Cb 0.20 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3f29 h SER 507 CO -0.00 0.56 0.61 0.11 -1.14 0.00 0.00 176.83 176.97 3f29 h LYS 508 N 0.89 1.22 -0.51 3.45 1.57 -0.98 0.78 116.57 122.99 3f29 h LYS 508 Ca 0.24 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3f29 h LYS 508 Cb -0.08 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 31.93 3f29 h LYS 508 CO -0.05 0.81 0.26 1.49 -0.57 0.00 0.00 179.45 181.39 3f29 h GLU 509 N 1.26 0.73 -0.34 3.15 4.81 -0.94 -1.99 114.58 121.26 3f29 h GLU 509 Ca 0.34 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3f29 h GLU 509 Cb -0.14 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3f29 h GLU 509 CO -0.07 0.60 -0.29 0.00 -0.73 0.00 0.00 179.01 178.52 3f29 h ALA 510 N 1.10 0.85 -0.10 2.92 0.00 -0.81 -1.38 119.26 121.84 3f29 h ALA 510 Ca 0.18 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3f29 h ALA 510 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3f29 h ALA 510 CO -0.02 0.63 0.04 0.28 0.00 0.00 0.00 179.25 180.18 3f29 h VAL 511 N 0.62 1.13 -0.44 0.00 2.07 -0.71 -0.82 116.25 118.10 3f29 h VAL 511 Ca 0.08 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3f29 h VAL 511 Cb 0.80 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3f29 h VAL 511 CO 0.07 0.12 0.27 -1.28 0.02 0.00 0.00 177.57 176.77 3f29 h SER 512 N 0.02 0.45 -0.16 0.57 0.87 -1.29 0.97 113.55 114.97 3f29 h SER 512 Ca 0.03 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3f29 h SER 512 Cb 0.15 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3f29 h SER 512 CO -0.00 0.32 -0.02 0.25 -0.53 0.00 0.00 176.83 176.85 3f29 h LEU 513 N 0.55 -0.09 -0.19 2.23 5.85 -1.07 -0.91 115.31 121.68 3f29 h LEU 513 Ca 0.17 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3f29 h LEU 513 Cb -0.01 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3f29 h LEU 513 CO -0.07 -0.03 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.57 3f29 h LEU 514 N 0.03 0.66 -0.69 2.25 3.38 -0.94 -1.83 115.31 118.16 3f29 h LEU 514 Ca 0.07 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.54 3f29 h LEU 514 Cb 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3f29 h LEU 514 CO -0.14 1.08 0.42 0.78 0.09 0.00 0.00 178.44 180.67 3f29 h ASN 515 N 0.26 0.67 -0.59 -0.43 2.35 -0.77 0.34 115.58 117.42 3f29 h ASN 515 Ca 0.01 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3f29 h ASN 515 Cb 0.97 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 3f29 h ASN 515 CO 0.08 0.45 0.10 0.44 -1.65 0.00 0.00 177.43 176.85 3f29 h ASP 516 N 0.80 0.93 -0.51 5.81 5.19 -1.11 -1.37 116.42 126.16 3f29 h ASP 516 Ca 0.29 -0.26 -0.10 0.00 -0.62 0.00 0.00 57.03 56.34 3f29 h ASP 516 Cb 0.08 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3f29 h ASP 516 CO -0.13 0.95 -0.07 0.00 -3.12 0.00 0.00 179.24 176.86 3f29 h ALA 517 N 1.01 0.85 0.17 3.45 0.00 -0.96 -1.34 119.26 122.44 3f29 h ALA 517 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3f29 h ALA 517 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3f29 h ALA 517 CO 0.01 0.65 -0.08 0.82 0.00 0.00 0.00 179.25 180.66 3f29 h ILE 518 N 0.88 0.93 -0.99 0.00 2.04 -0.82 -2.22 117.51 117.33 3f29 h ILE 518 Ca 0.15 -0.45 0.11 0.00 1.00 0.00 0.00 64.86 65.67 3f29 h ILE 518 Cb 0.62 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 3f29 h ILE 518 CO 0.04 0.10 0.63 0.44 0.00 0.00 0.00 178.15 179.36 3f29 h ASP 519 N -0.44 0.92 -0.56 1.72 3.32 -1.18 -0.32 116.42 119.88 3f29 h ASP 519 Ca -0.02 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3f29 h ASP 519 Cb 0.34 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3f29 h ASP 519 CO 0.04 0.51 0.03 0.00 -1.72 0.00 0.00 179.24 178.10 3f29 h ALA 520 N 1.53 0.93 -0.57 3.45 0.00 -1.19 -1.54 119.26 121.88 3f29 h ALA 520 Ca 0.48 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3f29 h ALA 520 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3f29 h ALA 520 CO -0.24 0.64 0.08 1.96 0.00 0.00 0.00 179.25 181.70 3f29 h GLN 521 N 0.93 0.95 -0.62 0.00 1.08 -0.60 -2.98 115.11 113.86 3f29 h GLN 521 Ca 0.17 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3f29 h GLN 521 Cb 0.50 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3f29 h GLN 521 CO 0.02 0.91 0.36 0.28 -0.95 0.00 0.00 178.83 179.46 3f29 h VAL 522 N 0.84 1.19 0.00 -0.54 2.07 -0.94 -3.51 116.25 115.36 3f29 h VAL 522 Ca 0.17 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3f29 h VAL 522 Cb 0.43 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3f29 h VAL 522 CO 0.01 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.80