#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdk s ALA 4 N 0.00 1.77 0.88 7.82 0.00 -1.26 -0.35 121.76 130.62 3gdk s ALA 4 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3gdk s ALA 4 Cb 0.00 -3.03 0.12 0.00 0.00 0.00 0.00 23.12 20.22 3gdk s ALA 4 CO 0.00 -2.30 1.13 0.95 0.00 0.00 0.00 175.76 175.54 3gdk s THR 5 N -3.29 2.24 0.22 0.00 -4.23 -1.26 -4.80 115.64 104.51 3gdk s THR 5 Ca 0.64 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 3gdk s THR 5 Cb -0.14 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.04 3gdk s THR 5 CO 0.53 -0.10 1.84 1.88 -0.54 0.00 0.00 174.62 178.24 3gdk h TYR 6 N -1.40 1.12 -0.46 3.99 0.05 -1.96 -1.31 116.97 117.00 3gdk h TYR 6 Ca -0.50 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.30 3gdk h TYR 6 Cb 1.32 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 38.66 3gdk h TYR 6 CO 0.33 0.77 0.24 -0.22 -1.05 0.00 0.00 178.16 178.23 3gdk h LYS 7 N 1.14 0.46 -0.50 4.88 3.64 -1.92 -1.17 116.57 123.09 3gdk h LYS 7 Ca 0.29 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.55 3gdk h LYS 7 Cb 0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3gdk h LYS 7 CO -0.05 0.30 -0.07 0.93 -2.27 0.00 0.00 179.45 178.30 3gdk h GLU 8 N 0.47 0.92 -0.19 1.90 5.08 -1.83 -2.79 114.58 118.14 3gdk h GLU 8 Ca 0.20 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3gdk h GLU 8 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3gdk h GLU 8 CO -0.14 0.98 -0.12 0.00 -1.00 0.00 0.00 179.01 178.73 3gdk h ARG 9 N 0.78 0.31 -0.29 2.33 3.08 -0.93 -1.82 114.38 117.84 3gdk h ARG 9 Ca 0.13 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3gdk h ARG 9 Cb 0.61 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3gdk h ARG 9 CO 0.04 0.44 -0.17 0.00 -1.07 0.00 0.00 179.97 179.21 3gdk h ALA 10 N 1.59 1.17 0.00 0.04 0.00 -1.00 0.13 119.26 121.18 3gdk h ALA 10 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3gdk h ALA 10 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gdk h ALA 10 CO 0.02 0.53 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 3gdk h ALA 11 N 1.36 0.93 0.00 0.00 0.00 -1.09 -3.35 119.26 117.10 3gdk h ALA 11 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gdk h ALA 11 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gdk h ALA 11 CO 0.04 0.52 -1.14 0.25 0.00 0.00 0.00 179.25 178.92 3gdk n THR 12 N -3.49 0.00 -1.75 0.00 -2.24 -0.96 -5.04 114.28 100.81 3gdk n THR 12 Ca 0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3gdk n THR 12 Cb 0.55 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 3gdk n THR 12 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gdk s HIS 13 N -2.45 2.80 0.32 4.78 2.46 0.43 -4.89 115.29 118.73 3gdk s HIS 13 Ca -0.01 0.58 0.29 0.00 0.47 0.00 0.00 55.06 56.39 3gdk s HIS 13 Cb 0.07 -4.11 1.39 0.00 -0.13 0.00 0.00 32.58 29.79 3gdk s HIS 13 CO 0.41 -3.95 2.02 -1.00 -2.47 0.00 0.00 174.74 169.76 3gdk h PRO 14 N 5.67 0.00 -5.38 2.88 0.13 -1.90 -3.43 132.00 129.97 3gdk h PRO 14 Ca -0.45 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 3gdk h PRO 14 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3gdk h PRO 14 CO 0.86 0.12 -0.16 0.45 -0.23 0.00 0.00 178.00 179.04 3gdk s SER 15 N -6.00 6.42 0.35 1.44 0.15 -1.26 -4.86 113.70 109.93 3gdk s SER 15 Ca -0.02 0.50 0.03 0.00 0.70 0.00 0.00 55.95 57.17 3gdk s SER 15 Cb 0.12 -2.24 0.64 0.00 -1.71 0.00 0.00 66.02 62.83 3gdk s SER 15 CO 0.58 -0.14 1.96 -0.65 1.20 0.00 0.00 173.24 176.18 3gdk h PRO 16 N 7.61 0.67 -0.22 5.44 0.11 -1.85 -1.08 132.00 142.68 3gdk h PRO 16 Ca -0.34 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 3gdk h PRO 16 Cb 1.16 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3gdk h PRO 16 CO 0.71 0.54 -0.40 -0.24 -0.21 0.00 0.00 178.00 178.39 3gdk h VAL 17 N 0.67 1.30 -0.30 3.15 3.04 -1.87 -1.05 116.25 121.19 3gdk h VAL 17 Ca 0.17 -1.56 -0.08 0.00 -1.01 0.00 0.00 66.70 64.23 3gdk h VAL 17 Cb 0.09 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 3gdk h VAL 17 CO -0.02 0.49 -0.11 0.00 -1.01 0.00 0.00 177.57 176.92 3gdk h ALA 18 N 1.14 0.42 -0.78 3.17 0.00 -1.80 -1.05 119.26 120.35 3gdk h ALA 18 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gdk h ALA 18 Cb 0.89 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3gdk h ALA 18 CO 0.08 0.28 0.45 0.00 0.00 0.00 0.00 179.25 180.06 3gdk h ALA 19 N 0.77 1.32 -0.44 0.00 0.00 -1.06 0.48 119.26 120.33 3gdk h ALA 19 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3gdk h ALA 19 Cb 0.62 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3gdk h ALA 19 CO 0.04 0.57 0.04 -0.22 0.00 0.00 0.00 179.25 179.68 3gdk h LYS 20 N 1.08 0.75 -0.24 0.00 3.64 -0.97 -1.42 116.57 119.41 3gdk h LYS 20 Ca 0.28 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3gdk h LYS 20 Cb -0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3gdk h LYS 20 CO -0.05 0.80 0.07 1.25 -2.27 0.00 0.00 179.45 179.24 3gdk h LEU 21 N 0.60 0.35 -1.11 5.20 5.85 -0.58 -1.71 115.31 123.92 3gdk h LEU 21 Ca 0.13 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3gdk h LEU 21 Cb 0.43 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3gdk h LEU 21 CO 0.01 0.47 0.60 -0.26 -0.34 0.00 0.00 178.44 178.93 3gdk h PHE 22 N 0.21 1.11 -0.42 1.25 0.04 -0.84 -1.02 116.94 117.26 3gdk h PHE 22 Ca 0.08 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 3gdk h PHE 22 Cb 0.25 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3gdk h PHE 22 CO 0.01 0.64 -0.19 -0.91 -0.60 0.00 0.00 178.31 177.25 3gdk h ASN 23 N 1.14 0.83 -0.41 2.17 2.35 -1.01 -1.91 115.58 118.74 3gdk h ASN 23 Ca 0.37 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3gdk h ASN 23 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3gdk h ASN 23 CO -0.11 1.00 0.18 0.40 -1.65 0.00 0.00 177.43 177.25 3gdk h ILE 24 N 0.72 1.19 -0.24 2.81 2.04 -0.56 -0.76 117.51 122.70 3gdk h ILE 24 Ca 0.10 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3gdk h ILE 24 Cb 0.71 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3gdk h ILE 24 CO 0.05 0.21 0.15 0.24 0.00 0.00 0.00 178.15 178.80 3gdk h MET 25 N 0.51 0.32 -0.15 2.37 2.86 -1.05 -0.35 114.93 119.44 3gdk h MET 25 Ca 0.14 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3gdk h MET 25 Cb 0.16 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3gdk h MET 25 CO -0.01 0.24 0.09 1.25 1.06 0.00 0.00 176.91 179.53 3gdk h HIS 26 N 0.32 0.21 -0.38 -0.22 -0.00 -1.22 -0.07 115.15 113.78 3gdk h HIS 26 Ca 0.09 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 3gdk h HIS 26 Cb -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 3gdk h HIS 26 CO -0.05 0.19 0.00 0.93 -0.00 0.00 0.00 177.93 179.00 3gdk h GLU 27 N 0.17 0.67 -0.01 5.26 5.08 -0.98 -3.15 114.58 121.62 3gdk h GLU 27 Ca 0.06 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3gdk h GLU 27 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gdk h GLU 27 CO -0.01 0.77 -0.10 1.63 -1.00 0.00 0.00 179.01 180.29 3gdk n LYS 28 N -4.47 1.27 -3.65 2.33 5.02 -0.16 -4.96 118.16 113.55 3gdk n LYS 28 Ca -0.01 -0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 55.33 3gdk n LYS 28 Cb 0.28 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 3gdk n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdk n GLN 29 N -0.25 -3.13 -3.76 1.97 6.02 -0.09 -5.00 117.38 113.14 3gdk n GLN 29 Ca 0.16 0.58 -0.13 0.00 -0.01 0.00 0.00 57.00 57.61 3gdk n GLN 29 Cb 0.34 -4.86 -0.11 0.00 1.02 0.00 0.00 30.24 26.62 3gdk n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdk s THR 30 N -3.58 -0.00 -0.12 5.09 -1.32 -0.91 -4.84 115.64 109.95 3gdk s THR 30 Ca 0.23 0.01 0.15 0.00 -1.21 0.00 0.00 61.69 60.87 3gdk s THR 30 Cb -0.07 -0.44 0.29 0.00 -1.51 0.00 0.00 72.50 70.77 3gdk s THR 30 CO 0.82 0.00 1.15 -0.46 -2.21 0.00 0.00 174.62 173.93 3gdk n ASN 31 N 3.04 1.71 -4.67 8.08 0.23 -1.26 -4.32 115.26 118.06 3gdk n ASN 31 Ca -0.14 -3.06 -0.39 0.00 -0.53 0.00 0.00 54.58 50.46 3gdk n ASN 31 Cb 0.57 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.80 3gdk n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdk s LEU 32 N -2.30 4.18 -0.17 -4.53 2.96 -1.26 -1.20 118.68 116.35 3gdk s LEU 32 Ca 0.29 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 3gdk s LEU 32 Cb 0.27 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 3gdk s LEU 32 CO -0.02 -0.15 -0.05 0.00 -1.32 0.00 0.00 176.35 174.82 3gdk s ALA 34 N 0.71 3.56 -0.48 0.00 0.00 -0.23 -1.73 121.76 123.59 3gdk s ALA 34 Ca -0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 3gdk s ALA 34 Cb -0.15 -2.57 0.09 0.00 0.00 0.00 0.00 23.12 20.50 3gdk s ALA 34 CO 0.02 -0.50 0.40 0.45 0.00 0.00 0.00 175.76 176.13 3gdk s SER 35 N 1.50 6.04 -0.71 0.00 0.15 -0.47 -0.24 113.70 119.97 3gdk s SER 35 Ca 0.12 -1.54 -0.12 0.00 0.70 0.00 0.00 55.95 55.11 3gdk s SER 35 Cb -0.15 -2.15 0.18 0.00 -1.71 0.00 0.00 66.02 62.20 3gdk s SER 35 CO 0.09 -0.70 0.62 -0.76 1.20 0.00 0.00 173.24 173.70 3gdk s LEU 36 N 1.57 6.29 -1.09 3.45 1.43 -0.55 -4.34 118.68 125.45 3gdk s LEU 36 Ca 0.04 -2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 50.51 3gdk s LEU 36 Cb -0.26 -2.13 0.22 0.00 0.03 0.00 0.00 46.19 44.05 3gdk s LEU 36 CO 0.04 -0.59 1.18 1.51 0.23 0.00 0.00 176.35 178.72 3gdk s ASP 37 N 2.17 7.08 0.36 2.29 -4.77 -1.26 -4.19 116.67 118.35 3gdk s ASP 37 Ca 0.14 -3.09 0.08 0.00 -3.30 0.00 0.00 52.55 46.38 3gdk s ASP 37 Cb -0.17 -2.30 -0.05 0.00 -1.09 0.00 0.00 42.92 39.31 3gdk s ASP 37 CO -0.05 -0.57 0.10 0.68 0.70 0.00 0.00 175.17 176.03 3gdk s VAL 38 N 0.37 2.65 -0.13 2.11 -7.23 -1.26 -5.07 120.40 111.84 3gdk s VAL 38 Ca 0.33 -1.80 0.16 0.00 -1.81 0.00 0.00 61.98 58.87 3gdk s VAL 38 Cb -0.07 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.88 3gdk s VAL 38 CO -0.05 -0.13 1.02 -0.09 -0.31 0.00 0.00 175.10 175.53 3gdk h ARG 39 N 1.61 0.00 -6.10 4.82 2.43 -1.95 -3.37 114.38 111.82 3gdk h ARG 39 Ca -0.43 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.19 3gdk h ARG 39 Cb 1.25 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.58 3gdk h ARG 39 CO 0.67 0.35 -0.83 0.95 -1.51 0.00 0.00 179.97 179.60 3gdk s THR 40 N -2.95 1.67 0.37 0.20 -4.23 -1.26 -0.63 115.64 108.81 3gdk s THR 40 Ca -0.01 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3gdk s THR 40 Cb 0.08 -1.51 0.27 0.00 1.34 0.00 0.00 72.50 72.68 3gdk s THR 40 CO 0.79 -0.04 2.01 0.74 -0.54 0.00 0.00 174.62 177.58 3gdk h THR 41 N 4.12 1.10 -0.11 3.99 2.02 -1.92 -2.05 112.91 120.07 3gdk h THR 41 Ca -0.45 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3gdk h THR 41 Cb 1.18 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3gdk h THR 41 CO 0.40 0.14 0.05 0.50 0.37 0.00 0.00 175.52 176.97 3gdk h LYS 42 N 0.75 0.10 -0.44 6.66 3.64 -1.95 0.59 116.57 125.92 3gdk h LYS 42 Ca 0.24 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3gdk h LYS 42 Cb 0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3gdk h LYS 42 CO -0.06 0.07 0.26 0.93 -2.27 0.00 0.00 179.45 178.38 3gdk h GLU 43 N 0.11 0.61 0.10 1.90 5.08 -1.89 -1.91 114.58 118.57 3gdk h GLU 43 Ca 0.04 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3gdk h GLU 43 Cb 0.01 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3gdk h GLU 43 CO -0.03 0.46 -0.31 1.25 -1.00 0.00 0.00 179.01 179.37 3gdk h LEU 44 N 0.59 -0.91 -1.51 1.33 5.85 -0.87 -1.18 115.31 118.61 3gdk h LEU 44 Ca 0.16 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3gdk h LEU 44 Cb 0.01 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3gdk h LEU 44 CO -0.03 -0.40 0.32 -0.07 -0.34 0.00 0.00 178.44 177.93 3gdk h LEU 45 N -0.53 0.57 0.02 2.25 3.38 -0.81 -0.63 115.31 119.57 3gdk h LEU 45 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gdk h LEU 45 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gdk h LEU 45 CO -0.20 0.42 -0.01 -0.08 0.09 0.00 0.00 178.44 178.66 3gdk h GLU 46 N 0.67 -0.03 -0.60 1.13 4.81 -0.72 -1.73 114.58 118.11 3gdk h GLU 46 Ca 0.18 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3gdk h GLU 46 Cb -0.07 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3gdk h GLU 46 CO -0.04 0.08 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.23 3gdk h LEU 47 N -0.12 1.06 -0.91 1.64 3.38 -0.79 -2.62 115.31 116.95 3gdk h LEU 47 Ca -0.00 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3gdk h LEU 47 Cb 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3gdk h LEU 47 CO 0.00 1.12 0.44 0.58 0.09 0.00 0.00 178.44 180.68 3gdk h VAL 48 N 0.98 1.26 -0.13 1.22 2.07 -1.05 0.35 116.25 120.94 3gdk h VAL 48 Ca 0.17 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3gdk h VAL 48 Cb 0.59 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3gdk h VAL 48 CO 0.04 0.30 0.06 -0.08 0.02 0.00 0.00 177.57 177.90 3gdk h GLU 49 N 1.22 0.13 -0.18 1.57 4.57 -1.17 0.39 114.58 121.11 3gdk h GLU 49 Ca 0.30 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.37 3gdk h GLU 49 Cb 0.07 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3gdk h GLU 49 CO -0.04 0.08 -0.32 0.00 -1.18 0.00 0.00 179.01 177.55 3gdk h ALA 50 N 1.07 1.12 0.00 2.92 0.00 -1.07 -3.28 119.26 120.00 3gdk h ALA 50 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3gdk h ALA 50 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gdk h ALA 50 CO -0.04 0.56 -1.49 1.28 0.00 0.00 0.00 179.25 179.56 3gdk n LEU 51 N -4.09 0.46 -0.34 0.00 4.77 0.07 -4.51 117.00 113.36 3gdk n LEU 51 Ca -0.01 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.20 3gdk n LEU 51 Cb 0.43 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.63 3gdk n LEU 51 CO 0.42 -0.08 0.60 0.61 -1.33 0.00 0.00 177.39 177.62 3gdk n GLY 52 N 1.24 -1.59 0.25 -0.72 0.00 0.14 -0.44 105.19 104.06 3gdk n GLY 52 Ca -0.03 1.00 0.11 0.00 0.00 0.00 0.00 46.02 47.10 3gdk n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdk h PRO 53 N 0.00 0.00 -0.02 1.61 0.11 -1.82 -3.22 132.00 128.66 3gdk h PRO 53 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3gdk h PRO 53 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3gdk h PRO 53 CO -0.95 0.14 -0.15 1.63 -0.21 0.00 0.00 178.00 178.46 3gdk n LYS 54 N -3.77 1.90 -4.49 1.05 4.76 0.42 -5.00 118.16 113.04 3gdk n LYS 54 Ca -0.02 -1.54 -0.25 0.00 -2.87 0.00 0.00 58.31 53.63 3gdk n LYS 54 Cb 0.25 -1.47 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 3gdk n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gdk s ILE 55 N -2.16 2.41 -0.05 -0.18 -4.36 -1.09 -4.62 121.20 111.16 3gdk s ILE 55 Ca 0.26 -2.24 0.11 0.00 -0.26 0.00 0.00 60.65 58.52 3gdk s ILE 55 Cb 0.19 -2.55 -0.17 0.00 1.25 0.00 0.00 42.46 41.19 3gdk s ILE 55 CO 0.39 -0.28 0.26 0.00 0.24 0.00 0.00 174.94 175.55 3gdk s LEU 57 N -3.71 0.47 -0.19 0.00 2.96 -1.21 -2.01 118.68 114.99 3gdk s LEU 57 Ca -0.04 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 54.60 3gdk s LEU 57 Cb 0.07 1.22 0.00 0.00 0.50 0.00 0.00 46.19 47.98 3gdk s LEU 57 CO 0.47 -0.14 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.01 3gdk s LEU 58 N 0.51 2.49 -0.28 -0.68 2.96 -0.25 -1.07 118.68 122.37 3gdk s LEU 58 Ca -0.03 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 3gdk s LEU 58 Cb -0.04 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 3gdk s LEU 58 CO -0.03 0.01 0.18 -0.75 -1.32 0.00 0.00 176.35 174.44 3gdk s LYS 59 N 1.26 3.92 0.34 1.98 2.20 0.66 -0.67 119.74 129.43 3gdk s LYS 59 Ca 0.03 -0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 3gdk s LYS 59 Cb -0.14 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 3gdk s LYS 59 CO -0.07 -0.18 0.51 0.95 -0.36 0.00 0.00 175.35 176.20 3gdk s THR 60 N 1.74 4.48 -0.43 3.43 -4.23 0.01 -1.47 115.64 119.16 3gdk s THR 60 Ca 0.07 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 3gdk s THR 60 Cb -0.16 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.35 3gdk s THR 60 CO 0.10 -0.30 0.59 1.41 -0.54 0.00 0.00 174.62 175.88 3gdk n HIS 61 N -1.72 0.48 0.12 3.99 -0.00 -1.26 -0.46 115.22 116.37 3gdk n HIS 61 Ca -0.03 -3.70 0.15 0.00 -0.00 0.00 0.00 57.72 54.14 3gdk n HIS 61 Cb 0.57 -0.40 0.67 0.00 -0.00 0.00 0.00 29.99 30.84 3gdk n HIS 61 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 3gdk h VAL 62 N 2.09 0.84 -0.01 1.59 -1.51 -1.95 -2.07 116.25 115.23 3gdk h VAL 62 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.57 3gdk h VAL 62 Cb 0.84 0.85 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3gdk h VAL 62 CO 0.54 0.00 0.04 0.44 -1.23 0.00 0.00 177.57 177.36 3gdk h ASP 63 N 0.00 0.00 -0.02 4.19 3.32 -1.98 -2.17 116.42 119.76 3gdk h ASP 63 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3gdk h ASP 63 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3gdk h ASP 63 CO -0.00 0.00 -0.04 2.30 -1.72 0.00 0.00 179.24 179.78 3gdk n ILE 64 N -3.28 0.00 -2.53 0.35 -5.35 -0.78 -4.94 119.36 102.83 3gdk n ILE 64 Ca -0.03 -0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 61.56 3gdk n ILE 64 Cb 0.12 1.32 -0.04 0.00 -1.74 0.00 0.00 39.64 39.31 3gdk n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdk s LEU 65 N -1.46 4.43 0.23 7.28 1.43 -0.82 -4.51 118.68 125.28 3gdk s LEU 65 Ca 0.19 1.98 0.18 0.00 -1.03 0.00 0.00 54.13 55.44 3gdk s LEU 65 Cb 0.14 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.81 3gdk s LEU 65 CO 0.23 -0.29 1.23 0.71 0.23 0.00 0.00 176.35 178.46 3gdk h THR 66 N 4.17 0.46 -1.08 5.49 1.35 -1.19 -3.37 112.91 118.74 3gdk h THR 66 Ca -0.43 -1.73 -0.55 0.00 -0.55 0.00 0.00 66.41 63.15 3gdk h THR 66 Cb 1.21 2.08 -0.42 0.00 -1.73 0.00 0.00 68.15 69.29 3gdk h THR 66 CO 0.76 0.26 -0.81 -0.90 -0.25 0.00 0.00 175.52 174.58 3gdk n ASP 67 N -3.02 4.57 -4.77 5.36 5.68 -1.26 -5.07 116.55 118.05 3gdk n ASP 67 Ca -0.01 -3.63 -0.41 0.00 -0.50 0.00 0.00 54.79 50.24 3gdk n ASP 67 Cb 0.70 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 3gdk n ASP 67 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3gdk s PHE 68 N -3.56 3.07 -0.21 2.11 5.36 -1.26 -4.73 117.98 118.76 3gdk s PHE 68 Ca 0.48 1.42 -0.27 0.00 -0.96 0.00 0.00 56.93 57.60 3gdk s PHE 68 Cb 0.40 -3.66 0.08 0.00 -0.34 0.00 0.00 43.02 39.50 3gdk s PHE 68 CO -0.06 -1.81 0.76 -1.54 -1.46 0.00 0.00 175.22 171.10 3gdk s SER 69 N -0.48 -0.68 0.23 6.13 1.04 -1.26 -4.98 113.70 113.70 3gdk s SER 69 Ca 0.49 1.15 -0.08 0.00 0.48 0.00 0.00 55.95 57.99 3gdk s SER 69 Cb -0.39 1.11 0.25 0.00 0.10 0.00 0.00 66.02 67.08 3gdk s SER 69 CO 0.52 -0.34 1.87 0.24 0.98 0.00 0.00 173.24 176.51 3gdk h MET 70 N 4.28 0.98 0.13 4.02 2.86 -1.96 0.47 114.93 125.72 3gdk h MET 70 Ca -0.28 -0.06 -0.29 0.00 -2.06 0.00 0.00 59.70 57.01 3gdk h MET 70 Cb 1.16 -0.22 0.03 0.00 0.06 0.00 0.00 31.60 32.62 3gdk h MET 70 CO 0.16 0.65 -1.21 1.49 1.06 0.00 0.00 176.91 179.06 3gdk h GLU 71 N 1.01 0.59 0.00 1.72 4.57 -1.96 0.35 114.58 120.86 3gdk h GLU 71 Ca 0.33 -0.81 -0.18 0.00 -1.18 0.00 0.00 59.36 57.52 3gdk h GLU 71 Cb 0.02 0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3gdk h GLU 71 CO -0.12 1.37 -1.12 0.78 -1.18 0.00 0.00 179.01 178.74 3gdk h GLY 72 N 0.19 0.00 0.00 1.92 0.00 -1.92 -3.38 103.07 99.88 3gdk h GLY 72 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3gdk h GLY 72 CO 0.23 0.00 -0.42 2.41 0.00 0.00 0.00 176.54 178.76 3gdk n THR 73 N -3.09 1.11 -0.10 4.70 -1.04 0.16 -4.61 114.28 111.41 3gdk n THR 73 Ca -0.06 0.27 -0.08 0.00 -2.04 0.00 0.00 64.05 62.14 3gdk n THR 73 Cb 0.86 -1.85 -0.00 0.00 -1.82 0.00 0.00 70.33 67.52 3gdk n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdk h VAL 74 N -0.42 1.03 0.61 12.58 2.07 -1.35 -1.62 116.25 129.14 3gdk h VAL 74 Ca 0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3gdk h VAL 74 Cb 0.42 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3gdk h VAL 74 CO 0.00 0.07 -0.50 0.50 0.02 0.00 0.00 177.57 177.66 3gdk h LYS 75 N 0.39 -1.04 -0.06 1.57 3.64 -1.10 0.11 116.57 120.09 3gdk h LYS 75 Ca 0.13 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3gdk h LYS 75 Cb 0.01 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3gdk h LYS 75 CO -0.06 -0.69 -0.03 -1.00 -2.27 0.00 0.00 179.45 175.40 3gdk h PRO 76 N -1.08 0.08 -0.30 1.90 0.13 -1.75 -1.86 132.00 129.11 3gdk h PRO 76 Ca -0.08 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3gdk h PRO 76 Cb 0.91 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3gdk h PRO 76 CO -0.00 0.12 0.08 1.25 -0.23 0.00 0.00 178.00 179.21 3gdk h LEU 77 N 0.08 0.45 -1.06 1.56 5.85 -0.70 -1.49 115.31 120.00 3gdk h LEU 77 Ca 0.02 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3gdk h LEU 77 Cb 0.11 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3gdk h LEU 77 CO 0.00 0.56 0.34 0.11 -0.34 0.00 0.00 178.44 179.11 3gdk h LYS 78 N 0.33 1.01 -0.53 1.25 1.79 -0.24 -1.28 116.57 118.90 3gdk h LYS 78 Ca 0.10 -0.14 0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3gdk h LYS 78 Cb 0.27 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 3gdk h LYS 78 CO -0.00 0.77 0.32 0.00 -1.08 0.00 0.00 179.45 179.47 3gdk h ALA 79 N 1.37 0.67 -0.62 3.86 0.00 -0.93 -1.06 119.26 122.56 3gdk h ALA 79 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3gdk h ALA 79 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gdk h ALA 79 CO -0.03 0.04 0.15 -0.07 0.00 0.00 0.00 179.25 179.34 3gdk h LEU 80 N 0.64 0.94 -0.91 0.00 3.38 -0.75 0.66 115.31 119.28 3gdk h LEU 80 Ca 0.21 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gdk h LEU 80 Cb 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3gdk h LEU 80 CO -0.08 0.93 0.59 0.28 0.09 0.00 0.00 178.44 180.25 3gdk h SER 81 N 0.91 1.01 -0.08 -0.43 0.02 -0.74 0.14 113.55 114.38 3gdk h SER 81 Ca 0.19 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3gdk h SER 81 Cb 0.36 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3gdk h SER 81 CO 0.00 0.71 -0.09 0.00 -1.14 0.00 0.00 176.83 176.32 3gdk h ALA 82 N 1.35 0.11 0.11 3.77 0.00 -0.95 0.95 119.26 124.61 3gdk h ALA 82 Ca 0.35 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gdk h ALA 82 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gdk h ALA 82 CO -0.10 -0.06 -0.16 -0.22 0.00 0.00 0.00 179.25 178.71 3gdk h LYS 83 N -0.25 -0.32 -0.02 0.00 3.64 -0.47 -3.16 116.57 116.00 3gdk h LYS 83 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gdk h LYS 83 Cb 0.61 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3gdk h LYS 83 CO 0.02 -0.21 -0.19 0.66 -2.27 0.00 0.00 179.45 177.46 3gdk n TYR 84 N -5.29 0.00 -2.94 1.91 4.01 0.44 -5.03 117.16 110.26 3gdk n TYR 84 Ca -0.07 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.59 3gdk n TYR 84 Cb 0.21 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 3gdk n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gdk n ASN 85 N 0.22 -7.76 -3.67 7.72 5.15 0.29 -4.67 115.26 112.54 3gdk n ASN 85 Ca 0.14 0.35 -0.11 0.00 -0.60 0.00 0.00 54.58 54.36 3gdk n ASN 85 Cb 0.44 -5.14 -0.06 0.00 -0.53 0.00 0.00 39.78 34.50 3gdk n ASN 85 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3gdk s PHE 86 N -2.64 -0.20 0.37 1.20 -0.12 -0.99 -4.85 117.98 110.75 3gdk s PHE 86 Ca 0.20 0.00 0.03 0.00 -0.05 0.00 0.00 56.93 57.12 3gdk s PHE 86 Cb -0.05 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 3gdk s PHE 86 CO 0.77 -0.62 0.54 -0.51 -0.05 0.00 0.00 175.22 175.35 3gdk s LEU 87 N -2.42 3.90 -0.14 -1.99 1.43 -0.85 -4.70 118.68 113.91 3gdk s LEU 87 Ca -0.01 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3gdk s LEU 87 Cb 0.01 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 3gdk s LEU 87 CO -0.07 -0.47 0.02 -0.76 0.23 0.00 0.00 176.35 175.30 3gdk s LEU 88 N -4.31 3.63 -0.25 1.79 1.43 -1.26 -1.09 118.68 118.62 3gdk s LEU 88 Ca 0.44 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3gdk s LEU 88 Cb -0.10 -1.88 0.07 0.00 0.03 0.00 0.00 46.19 44.32 3gdk s LEU 88 CO 0.34 0.25 0.03 0.12 0.23 0.00 0.00 176.35 177.32 3gdk s PHE 89 N -0.08 1.70 0.01 0.29 5.36 0.15 -1.09 117.98 124.32 3gdk s PHE 89 Ca 0.05 -1.45 -0.27 0.00 -0.96 0.00 0.00 56.93 54.30 3gdk s PHE 89 Cb -0.12 -1.46 -0.04 0.00 -0.34 0.00 0.00 43.02 41.05 3gdk s PHE 89 CO 0.02 -0.75 0.84 -2.00 -1.46 0.00 0.00 175.22 171.86 3gdk s GLU 90 N 1.63 4.53 0.39 10.12 2.56 -0.86 -0.81 118.70 136.26 3gdk s GLU 90 Ca 0.02 1.17 0.18 0.00 0.00 0.00 0.00 54.97 56.34 3gdk s GLU 90 Cb -0.18 -3.41 0.80 0.00 2.00 0.00 0.00 34.13 33.34 3gdk s GLU 90 CO -0.13 0.13 1.80 0.22 -0.56 0.00 0.00 175.26 176.72 3gdk h ASP 91 N 6.24 0.00 -0.51 -1.70 3.58 -1.10 -3.38 116.42 119.55 3gdk h ASP 91 Ca -0.42 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.38 3gdk h ASP 91 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 3gdk h ASP 91 CO 0.73 0.35 0.70 -1.14 -2.88 0.00 0.00 179.24 176.99 3gdk n ARG 92 N -3.68 0.00 -2.75 0.28 0.63 -1.26 -4.77 116.66 105.11 3gdk n ARG 92 Ca -0.01 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.49 3gdk n ARG 92 Cb 0.45 -1.16 -0.02 0.00 0.45 0.00 0.00 32.46 32.18 3gdk n ARG 92 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3gdk s LYS 93 N 3.10 3.68 0.32 -0.14 1.02 -1.26 -4.39 119.74 122.06 3gdk s LYS 93 Ca 0.85 -1.62 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 3gdk s LYS 93 Cb -1.16 -5.16 -0.12 0.00 -0.52 0.00 0.00 37.83 30.87 3gdk s LYS 93 CO 0.59 -1.99 1.52 1.19 -0.92 0.00 0.00 175.35 175.75 3gdk n PHE 94 N 7.55 2.81 -2.74 3.18 3.72 -1.12 -4.76 117.46 126.09 3gdk n PHE 94 Ca 0.31 0.35 -0.09 0.00 -0.05 0.00 0.00 57.45 57.97 3gdk n PHE 94 Cb 0.49 -2.55 0.07 0.00 -0.94 0.00 0.00 39.48 36.54 3gdk n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gdk n ALA 95 N 1.41 1.86 -3.63 4.37 0.00 -1.26 -0.88 120.51 122.38 3gdk n ALA 95 Ca 0.06 -2.19 -0.04 0.00 0.00 0.00 0.00 53.44 51.26 3gdk n ALA 95 Cb 0.37 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3gdk n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gdk n ASP 96 N -0.20 -1.34 -2.34 0.00 -0.08 -1.26 -4.92 116.55 106.41 3gdk n ASP 96 Ca 0.05 -2.21 -0.11 0.00 -1.51 0.00 0.00 54.79 51.02 3gdk n ASP 96 Cb 0.80 2.31 -0.04 0.00 2.34 0.00 0.00 41.12 46.54 3gdk n ASP 96 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3gdk n ILE 97 N -0.39 0.00 -4.45 5.18 -5.35 -1.26 -4.27 119.36 108.81 3gdk n ILE 97 Ca -0.03 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 3gdk n ILE 97 Cb 0.42 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 3gdk n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdk n GLY 98 N 0.31 0.96 0.25 3.28 0.00 -1.26 -2.52 105.19 106.21 3gdk n GLY 98 Ca 0.00 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.41 3gdk n GLY 98 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gdk h ASN 99 N 4.06 0.00 0.47 1.61 4.21 -1.98 -2.28 115.58 121.67 3gdk h ASN 99 Ca 0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 3gdk h ASN 99 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3gdk h ASN 99 CO 0.00 0.14 -0.23 0.74 -1.29 0.00 0.00 177.43 176.80 3gdk h THR 100 N 0.00 0.53 -0.28 2.81 2.02 -1.97 -0.19 112.91 115.83 3gdk h THR 100 Ca -0.00 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 3gdk h THR 100 Cb 0.34 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3gdk h THR 100 CO 0.02 0.02 -0.27 1.62 0.37 0.00 0.00 175.52 177.28 3gdk h VAL 101 N -0.70 1.27 -0.44 3.16 3.04 -1.36 -1.41 116.25 119.82 3gdk h VAL 101 Ca -0.06 -1.34 0.02 0.00 -1.01 0.00 0.00 66.70 64.30 3gdk h VAL 101 Cb 0.52 1.36 -0.03 0.00 -2.01 0.00 0.00 31.29 31.13 3gdk h VAL 101 CO 0.11 0.43 0.27 0.11 -1.01 0.00 0.00 177.57 177.47 3gdk h LYS 102 N 0.49 0.53 -0.01 4.17 1.57 -1.27 -1.84 116.57 120.20 3gdk h LYS 102 Ca 0.07 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3gdk h LYS 102 Cb 0.72 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3gdk h LYS 102 CO 0.06 0.35 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.56 3gdk h LEU 103 N 0.54 0.05 -1.46 2.94 3.38 -0.83 0.22 115.31 120.15 3gdk h LEU 103 Ca 0.17 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3gdk h LEU 103 Cb -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gdk h LEU 103 CO -0.07 0.70 -0.26 1.56 0.09 0.00 0.00 178.44 180.45 3gdk h GLN 104 N 0.03 0.00 0.13 1.13 4.20 -0.93 0.45 115.11 120.13 3gdk h GLN 104 Ca -0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 3gdk h GLN 104 Cb 1.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3gdk h GLN 104 CO 0.09 0.26 -1.80 -0.92 -0.67 0.00 0.00 178.83 175.79 3gdk h TYR 105 N 0.00 0.52 0.00 2.96 3.20 -0.98 -3.42 116.97 119.25 3gdk h TYR 105 Ca -0.00 -0.38 -0.34 0.00 3.14 0.00 0.00 58.73 61.15 3gdk h TYR 105 Cb 0.55 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 3gdk h TYR 105 CO 0.00 1.71 -2.10 -1.13 -1.64 0.00 0.00 178.16 175.00 3gdk n SER 106 N -3.64 0.38 0.00 -2.11 3.41 0.73 -0.33 113.62 112.05 3gdk n SER 106 Ca -0.29 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3gdk n SER 106 Cb 1.01 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 3gdk n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdk n ALA 107 N -2.67 0.00 -0.66 7.33 0.00 0.14 -4.39 120.51 120.27 3gdk n ALA 107 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3gdk n ALA 107 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 3gdk n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdk n GLY 108 N 5.00 -0.96 0.11 0.00 0.00 -1.25 -1.16 105.19 106.92 3gdk n GLY 108 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 3gdk n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gdk h VAL 109 N 0.00 1.55 -0.03 1.61 -1.51 -1.97 -3.34 116.25 112.57 3gdk h VAL 109 Ca 0.00 -2.92 -0.16 0.00 -1.23 0.00 0.00 66.70 62.40 3gdk h VAL 109 Cb 0.00 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 3gdk h VAL 109 CO 0.00 0.85 -0.69 1.88 -1.23 0.00 0.00 177.57 178.38 3gdk h TYR 110 N 0.07 0.19 -6.93 5.19 0.05 -1.96 -3.46 116.97 110.13 3gdk h TYR 110 Ca -0.06 -0.08 -0.58 0.00 0.05 0.00 0.00 58.73 58.05 3gdk h TYR 110 Cb 1.69 -0.03 -0.21 0.00 1.01 0.00 0.00 36.73 39.19 3gdk h TYR 110 CO 0.03 0.78 -0.92 0.54 -1.05 0.00 0.00 178.16 177.54 3gdk n ARG 111 N -3.78 -1.75 -0.26 4.88 1.74 -0.31 -4.80 116.66 112.38 3gdk n ARG 111 Ca -0.02 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 3gdk n ARG 111 Cb 0.67 -4.24 0.16 0.00 -1.02 0.00 0.00 32.46 28.04 3gdk n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdk h ILE 112 N -1.58 0.36 -0.45 0.55 2.04 -1.73 -0.72 117.51 115.98 3gdk h ILE 112 Ca -0.63 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 65.32 3gdk h ILE 112 Cb 1.39 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3gdk h ILE 112 CO 0.74 0.02 0.37 0.00 0.00 0.00 0.00 178.15 179.28 3gdk h ALA 113 N 1.70 2.32 0.00 1.87 0.00 -0.96 0.22 119.26 124.41 3gdk h ALA 113 Ca 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3gdk h ALA 113 Cb 0.73 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gdk h ALA 113 CO -0.65 -0.60 -0.14 0.93 0.00 0.00 0.00 179.25 178.79 3gdk h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.39 -3.38 114.58 114.89 3gdk h GLU 114 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3gdk h GLU 114 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3gdk h GLU 114 CO -0.00 0.14 -0.32 -2.67 -1.00 0.00 0.00 179.01 175.15 3gdk n TRP 115 N -3.47 0.00 -2.71 4.33 4.27 -0.55 -5.04 117.44 114.27 3gdk n TRP 115 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 3gdk n TRP 115 Cb 0.30 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.22 3gdk n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdk s ALA 116 N -0.76 3.32 0.25 -1.67 0.00 -0.04 -4.78 121.76 118.07 3gdk s ALA 116 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3gdk s ALA 116 Cb 0.00 -3.69 0.25 0.00 0.00 0.00 0.00 23.12 19.68 3gdk s ALA 116 CO 0.00 -1.86 1.92 -0.44 0.00 0.00 0.00 175.76 175.39 3gdk h ASP 117 N 8.73 1.15 -4.28 0.00 3.32 -1.43 -3.44 116.42 120.48 3gdk h ASP 117 Ca -0.23 -0.03 -0.45 0.00 0.02 0.00 0.00 57.03 56.34 3gdk h ASP 117 Cb 1.07 -0.29 -0.26 0.00 0.22 0.00 0.00 39.33 40.07 3gdk h ASP 117 CO 1.04 0.84 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.98 3gdk s ILE 118 N -6.10 1.08 0.29 0.35 1.01 -0.30 -1.42 121.20 116.11 3gdk s ILE 118 Ca -0.13 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.68 3gdk s ILE 118 Cb 0.18 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3gdk s ILE 118 CO 0.82 0.09 0.17 0.42 0.00 0.00 0.00 174.94 176.43 3gdk s THR 119 N -0.69 0.26 0.05 2.92 -4.23 -0.93 -2.02 115.64 110.99 3gdk s THR 119 Ca 0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3gdk s THR 119 Cb -0.07 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 3gdk s THR 119 CO 0.01 0.00 -0.06 0.54 -0.54 0.00 0.00 174.62 174.56 3gdk s ASN 120 N -3.35 0.80 0.02 3.99 2.20 -1.26 -1.13 114.94 116.22 3gdk s ASN 120 Ca 0.37 -0.67 -0.00 0.00 -0.94 0.00 0.00 52.86 51.61 3gdk s ASN 120 Cb 0.05 0.07 -0.02 0.00 -2.00 0.00 0.00 41.25 39.35 3gdk s ASN 120 CO 0.18 -0.30 -0.03 0.00 -2.94 0.00 0.00 177.10 174.00 3gdk s ALA 121 N -2.06 0.19 -0.02 3.54 0.00 -0.12 -2.81 121.76 120.47 3gdk s ALA 121 Ca -0.05 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 3gdk s ALA 121 Cb -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3gdk s ALA 121 CO -0.02 -0.19 0.82 -1.01 0.00 0.00 0.00 175.76 175.36 3gdk s HIS 122 N -1.81 3.64 -1.21 0.00 3.76 -0.06 -0.56 115.29 119.06 3gdk s HIS 122 Ca -0.13 1.46 0.29 0.00 -0.15 0.00 0.00 55.06 56.54 3gdk s HIS 122 Cb -0.07 -2.93 1.31 0.00 1.11 0.00 0.00 32.58 32.00 3gdk s HIS 122 CO -0.02 0.09 1.95 0.41 -0.85 0.00 0.00 174.74 176.32 3gdk n GLY 123 N 2.87 -1.37 0.45 -2.22 0.00 -1.26 -4.14 105.19 99.53 3gdk n GLY 123 Ca 0.01 -0.14 0.26 0.00 0.00 0.00 0.00 46.02 46.15 3gdk n GLY 123 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gdk h VAL 124 N 0.04 0.53 0.00 1.61 3.04 -1.94 0.07 116.25 119.60 3gdk h VAL 124 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3gdk h VAL 124 Cb 0.41 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3gdk h VAL 124 CO 0.00 0.04 0.00 1.33 -1.01 0.00 0.00 177.57 177.93 3gdk n VAL 125 N -4.42 0.00 0.00 1.51 0.24 -1.26 -5.03 118.33 109.37 3gdk n VAL 125 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3gdk n VAL 125 Cb 0.95 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3gdk n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gdk n GLY 126 N 1.08 -0.17 0.40 7.63 0.00 0.01 -4.52 105.19 109.62 3gdk n GLY 126 Ca 0.21 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.60 3gdk n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdk h PRO 127 N 0.00 0.00 -0.17 1.61 0.11 -1.93 -1.92 132.00 129.70 3gdk h PRO 127 Ca 0.00 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.16 3gdk h PRO 127 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3gdk h PRO 127 CO 0.00 0.00 0.16 0.78 -0.21 0.00 0.00 178.00 178.73 3gdk h GLY 128 N 0.00 0.00 1.70 -0.55 0.00 -1.95 -0.43 103.07 101.84 3gdk h GLY 128 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3gdk h GLY 128 CO -0.00 0.00 -0.53 1.19 0.00 0.00 0.00 176.54 177.20 3gdk h ILE 129 N 0.00 1.35 0.07 2.60 2.10 -1.52 0.40 117.51 122.51 3gdk h ILE 129 Ca 0.08 -1.80 -0.00 0.00 1.08 0.00 0.00 64.86 64.21 3gdk h ILE 129 Cb 0.40 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3gdk h ILE 129 CO -0.00 0.54 -0.03 0.58 -1.08 0.00 0.00 178.15 178.16 3gdk h VAL 130 N 0.25 1.22 -0.46 2.19 2.07 -1.31 -2.03 116.25 118.19 3gdk h VAL 130 Ca 0.01 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 3gdk h VAL 130 Cb 1.02 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 3gdk h VAL 130 CO 0.09 0.31 0.08 0.77 0.02 0.00 0.00 177.57 178.84 3gdk h SER 131 N -0.74 0.66 0.27 0.57 4.64 -1.40 0.41 113.55 117.96 3gdk h SER 131 Ca -0.01 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3gdk h SER 131 Cb 0.59 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3gdk h SER 131 CO 0.02 0.68 -0.13 1.23 -0.87 0.00 0.00 176.83 177.75 3gdk h GLY 132 N 0.91 -0.38 1.38 -0.77 0.00 -0.96 -1.56 103.07 101.69 3gdk h GLY 132 Ca 0.15 0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 3gdk h GLY 132 CO 0.00 -0.14 0.02 1.41 0.00 0.00 0.00 176.54 177.84 3gdk h LEU 133 N -0.61 0.72 -0.24 3.11 3.38 -1.24 -2.22 115.31 118.22 3gdk h LEU 133 Ca -0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gdk h LEU 133 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3gdk h LEU 133 CO 0.06 0.78 0.14 0.50 0.09 0.00 0.00 178.44 180.01 3gdk h LYS 134 N 0.72 0.32 -0.58 1.13 3.64 -0.87 -0.81 116.57 120.12 3gdk h LYS 134 Ca 0.15 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gdk h LYS 134 Cb 0.41 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3gdk h LYS 134 CO 0.01 0.26 0.28 0.37 -2.27 0.00 0.00 179.45 178.11 3gdk h GLN 135 N 0.29 0.83 -0.65 1.90 4.15 -1.09 -2.01 115.11 118.54 3gdk h GLN 135 Ca 0.08 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 3gdk h GLN 135 Cb 0.03 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 3gdk h GLN 135 CO -0.02 0.68 0.18 0.00 -1.93 0.00 0.00 178.83 177.75 3gdk h ALA 136 N 1.11 1.10 -0.33 3.38 0.00 -1.19 -1.50 119.26 121.84 3gdk h ALA 136 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gdk h ALA 136 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gdk h ALA 136 CO -0.03 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.99 3gdk h ALA 137 N 1.23 0.43 -0.75 0.00 0.00 -0.81 -0.58 119.26 118.78 3gdk h ALA 137 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3gdk h ALA 137 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3gdk h ALA 137 CO -0.00 -0.00 0.27 0.93 0.00 0.00 0.00 179.25 180.45 3gdk h GLU 138 N 0.39 1.14 -0.05 0.00 5.08 -1.13 -1.72 114.58 118.30 3gdk h GLU 138 Ca 0.11 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 3gdk h GLU 138 Cb 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3gdk h GLU 138 CO -0.01 0.94 -0.68 0.93 -1.00 0.00 0.00 179.01 179.19 3gdk h GLU 139 N 1.09 0.21 0.16 2.33 5.08 -1.10 -3.32 114.58 119.03 3gdk h GLU 139 Ca 0.25 -0.17 -0.30 0.00 -1.00 0.00 0.00 59.36 58.14 3gdk h GLU 139 Cb 0.25 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3gdk h GLU 139 CO -0.02 0.81 -1.38 0.28 -1.00 0.00 0.00 179.01 177.71 3gdk h VAL 140 N 0.15 1.36 -3.43 3.13 2.07 -0.94 -3.49 116.25 115.10 3gdk h VAL 140 Ca -0.02 -2.91 -0.05 0.00 0.82 0.00 0.00 66.70 64.55 3gdk h VAL 140 Cb 1.21 2.93 -0.12 0.00 -1.52 0.00 0.00 31.29 33.79 3gdk h VAL 140 CO 0.10 0.86 -0.08 0.28 0.02 0.00 0.00 177.57 178.75 3gdk s THR 141 N -2.63 0.06 -0.78 2.57 -1.32 -0.66 -4.96 115.64 107.91 3gdk s THR 141 Ca -0.07 -0.73 0.22 0.00 -1.21 0.00 0.00 61.69 59.90 3gdk s THR 141 Cb 0.06 -1.35 -0.18 0.00 -1.51 0.00 0.00 72.50 69.52 3gdk s THR 141 CO 0.89 -0.27 0.96 2.29 -2.21 0.00 0.00 174.62 176.28 3gdk n LYS 142 N -0.25 0.15 -2.08 7.08 2.85 -1.26 -4.38 118.16 120.27 3gdk n LYS 142 Ca -0.13 -0.02 -0.37 0.00 -1.05 0.00 0.00 58.31 56.73 3gdk n LYS 142 Cb 0.63 -1.53 0.02 0.00 -0.65 0.00 0.00 35.03 33.50 3gdk n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3gdk s GLU 143 N -3.11 3.35 0.27 -1.58 0.41 -1.26 -4.93 118.70 111.85 3gdk s GLU 143 Ca 0.05 1.87 -0.30 0.00 -0.41 0.00 0.00 54.97 56.18 3gdk s GLU 143 Cb 0.16 -2.19 -0.12 0.00 -1.78 0.00 0.00 34.13 30.19 3gdk s GLU 143 CO 0.83 -0.91 1.52 -2.30 -0.49 0.00 0.00 175.26 173.91 3gdk n PRO 144 N -1.01 2.44 -4.20 0.39 -0.02 -1.26 -5.01 135.00 126.34 3gdk n PRO 144 Ca 0.10 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.29 3gdk n PRO 144 Cb 0.48 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 3gdk n PRO 144 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gdk s ARG 145 N -0.46 0.62 0.07 -0.52 1.81 -1.26 -4.81 118.95 114.39 3gdk s ARG 145 Ca 0.66 -0.53 -0.02 0.00 -1.72 0.00 0.00 55.73 54.12 3gdk s ARG 145 Cb -0.55 -0.54 -0.04 0.00 -0.45 0.00 0.00 34.95 33.37 3gdk s ARG 145 CO 0.49 0.13 0.00 0.20 -0.68 0.00 0.00 175.30 175.44 3gdk s GLY 146 N -0.85 0.53 0.02 -3.53 0.00 -0.51 -4.78 107.32 98.20 3gdk s GLY 146 Ca -0.02 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.53 3gdk s GLY 146 CO 0.00 -1.29 -0.12 -2.27 0.00 0.00 0.00 173.10 169.43 3gdk s LEU 147 N -2.94 2.11 -0.05 0.66 2.96 -0.17 -2.19 118.68 119.06 3gdk s LEU 147 Ca 0.10 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3gdk s LEU 147 Cb 0.08 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.19 3gdk s LEU 147 CO -0.08 0.06 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.09 3gdk s LEU 148 N -0.75 2.63 -0.05 -0.68 1.43 -0.28 -0.85 118.68 120.13 3gdk s LEU 148 Ca 0.02 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 3gdk s LEU 148 Cb -0.06 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3gdk s LEU 148 CO 0.00 0.34 0.32 -0.04 0.23 0.00 0.00 176.35 177.20 3gdk s MET 149 N -0.70 3.80 -1.24 1.70 -1.94 -0.40 -0.95 119.30 119.56 3gdk s MET 149 Ca 0.11 0.22 -0.16 0.00 -1.71 0.00 0.00 55.69 54.15 3gdk s MET 149 Cb -0.11 -3.23 0.11 0.00 2.01 0.00 0.00 34.83 33.62 3gdk s MET 149 CO 0.00 0.68 1.59 -0.51 -0.01 0.00 0.00 175.02 176.77 3gdk s LEU 150 N -0.94 4.38 0.19 -0.03 1.43 0.28 -1.66 118.68 122.33 3gdk s LEU 150 Ca 0.21 -2.65 0.02 0.00 -1.03 0.00 0.00 54.13 50.67 3gdk s LEU 150 Cb -0.15 -2.50 0.08 0.00 0.03 0.00 0.00 46.19 43.65 3gdk s LEU 150 CO 0.10 -0.99 1.44 0.00 0.23 0.00 0.00 176.35 177.12 3gdk h ALA 151 N 7.48 0.63 -3.22 4.21 0.00 -1.81 -3.42 119.26 123.12 3gdk h ALA 151 Ca 0.38 -0.64 -0.41 0.00 0.00 0.00 0.00 54.91 54.24 3gdk h ALA 151 Cb 0.88 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.20 3gdk h ALA 151 CO 1.36 0.82 -0.74 -1.21 0.00 0.00 0.00 179.25 179.47 3gdk s GLU 152 N -3.48 0.01 0.45 0.00 2.02 -1.12 -4.39 118.70 112.19 3gdk s GLU 152 Ca -0.04 0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 3gdk s GLU 152 Cb 0.11 -1.02 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 3gdk s GLU 152 CO 0.82 -0.45 0.69 -0.51 0.02 0.00 0.00 175.26 175.83 3gdk s LEU 153 N 2.15 3.67 0.00 1.80 1.43 -1.26 -4.43 118.68 122.04 3gdk s LEU 153 Ca 0.04 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 3gdk s LEU 153 Cb -0.14 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3gdk s LEU 153 CO -0.05 -0.64 0.43 -1.20 0.23 0.00 0.00 176.35 175.11 3gdk n SER 154 N -2.10 0.71 -4.78 2.29 7.64 -1.26 -4.96 113.62 111.16 3gdk n SER 154 Ca 0.00 -0.86 -0.35 0.00 1.01 0.00 0.00 58.87 58.68 3gdk n SER 154 Cb 0.57 0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 64.47 3gdk n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gdk n LYS 156 N -1.06 2.72 -1.01 0.00 4.81 -1.26 -2.19 118.16 120.17 3gdk n LYS 156 Ca 0.10 0.98 -0.00 0.00 -0.87 0.00 0.00 58.31 58.52 3gdk n LYS 156 Cb 0.51 -2.82 -0.00 0.00 0.02 0.00 0.00 35.03 32.74 3gdk n LYS 156 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdk n GLY 157 N 3.86 0.44 3.71 3.14 0.00 -1.26 -5.00 105.19 110.08 3gdk n GLY 157 Ca 0.16 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3gdk n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdk n SER 158 N 0.00 1.57 -1.21 1.61 3.41 -0.93 -4.92 113.62 113.15 3gdk n SER 158 Ca -0.00 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.40 3gdk n SER 158 Cb 0.09 -1.53 0.29 0.00 -0.26 0.00 0.00 64.21 62.79 3gdk n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdk n LEU 159 N -2.56 4.11 -3.65 1.04 4.77 -1.26 -4.79 117.00 114.66 3gdk n LEU 159 Ca 0.15 -2.43 -0.41 0.00 -0.03 0.00 0.00 56.01 53.28 3gdk n LEU 159 Cb 0.49 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3gdk n LEU 159 CO 0.48 0.77 2.79 0.00 -1.33 0.00 0.00 177.39 180.10 3gdk n ALA 160 N 0.67 5.95 -2.16 -1.18 0.00 -1.26 -4.79 120.51 117.74 3gdk n ALA 160 Ca 0.21 -3.84 -0.10 0.00 0.00 0.00 0.00 53.44 49.71 3gdk n ALA 160 Cb 0.77 -3.47 -0.10 0.00 0.00 0.00 0.00 19.45 16.65 3gdk n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdk s THR 161 N 2.78 0.24 0.00 0.00 -4.23 -1.26 -4.41 115.64 108.76 3gdk s THR 161 Ca 0.51 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3gdk s THR 161 Cb 0.15 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3gdk s THR 161 CO -0.08 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 3gdk n GLY 162 N -0.10 1.50 0.32 3.99 0.00 -1.26 -0.68 105.19 108.95 3gdk n GLY 162 Ca -0.07 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.66 3gdk n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gdk h GLU 163 N 0.00 0.58 -0.07 1.61 4.57 -1.98 -2.09 114.58 117.21 3gdk h GLU 163 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3gdk h GLU 163 Cb 0.00 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3gdk h GLU 163 CO 0.00 0.38 0.04 -0.92 -1.18 0.00 0.00 179.01 177.33 3gdk h TYR 164 N 0.60 0.09 -0.38 0.92 3.20 -1.21 0.16 116.97 120.35 3gdk h TYR 164 Ca 0.18 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3gdk h TYR 164 Cb -0.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3gdk h TYR 164 CO -0.00 0.13 0.23 1.15 -1.64 0.00 0.00 178.16 178.03 3gdk h THR 165 N 0.03 1.12 -0.41 1.81 2.02 -1.54 0.20 112.91 116.14 3gdk h THR 165 Ca 0.02 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.97 3gdk h THR 165 Cb 0.07 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3gdk h THR 165 CO -0.00 0.12 0.20 0.50 0.37 0.00 0.00 175.52 176.71 3gdk h LYS 166 N 0.50 0.40 -0.95 6.66 3.64 -1.19 0.13 116.57 125.77 3gdk h LYS 166 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3gdk h LYS 166 Cb -0.01 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 3gdk h LYS 166 CO -0.03 0.26 0.61 0.78 -2.27 0.00 0.00 179.45 178.81 3gdk h GLY 167 N 0.41 1.35 1.16 5.01 0.00 -0.08 -1.22 103.07 109.69 3gdk h GLY 167 Ca 0.17 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3gdk h GLY 167 CO -0.12 0.51 -0.08 -0.84 0.00 0.00 0.00 176.54 176.01 3gdk h THR 168 N 1.29 1.26 -0.75 4.70 2.02 0.33 -1.77 112.91 120.00 3gdk h THR 168 Ca 0.35 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3gdk h THR 168 Cb -0.12 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3gdk h THR 168 CO -0.07 0.43 0.27 0.58 0.37 0.00 0.00 175.52 177.09 3gdk h VAL 169 N 0.89 1.26 -0.37 3.16 2.07 -0.22 -1.49 116.25 121.54 3gdk h VAL 169 Ca 0.15 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 3gdk h VAL 169 Cb 0.63 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3gdk h VAL 169 CO 0.04 0.34 -0.07 0.44 0.02 0.00 0.00 177.57 178.35 3gdk h ASP 170 N 1.10 0.59 -0.52 0.57 3.32 -0.92 -2.06 116.42 118.50 3gdk h ASP 170 Ca 0.25 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3gdk h ASP 170 Cb 0.27 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3gdk h ASP 170 CO -0.01 0.71 -0.04 0.40 -1.72 0.00 0.00 179.24 178.58 3gdk h ILE 171 N 0.57 1.26 -0.74 0.35 2.04 -0.84 -2.55 117.51 117.61 3gdk h ILE 171 Ca 0.11 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3gdk h ILE 171 Cb 0.46 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3gdk h ILE 171 CO 0.02 0.41 0.49 0.00 0.00 0.00 0.00 178.15 179.08 3gdk h ALA 172 N 1.05 1.47 0.00 1.87 0.00 -0.68 -1.67 119.26 121.30 3gdk h ALA 172 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gdk h ALA 172 Cb 0.57 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gdk h ALA 172 CO 0.03 0.49 0.00 0.87 0.00 0.00 0.00 179.25 180.64 3gdk h LYS 173 N 1.01 0.00 0.00 0.00 1.57 -0.95 -2.47 116.57 115.72 3gdk h LYS 173 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3gdk h LYS 173 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3gdk h LYS 173 CO -0.06 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.48 3gdk h SER 174 N 0.00 0.00 -1.26 0.86 4.64 -1.29 -3.39 113.55 113.11 3gdk h SER 174 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3gdk h SER 174 Cb 0.15 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.01 3gdk h SER 174 CO 0.00 0.00 -0.49 -0.62 -0.87 0.00 0.00 176.83 174.85 3gdk s ASP 175 N -4.67 -0.83 0.00 4.97 -1.08 -0.93 -4.99 116.67 109.14 3gdk s ASP 175 Ca 0.01 -0.68 0.26 0.00 -0.52 0.00 0.00 52.55 51.62 3gdk s ASP 175 Cb 0.09 1.62 1.09 0.00 -1.46 0.00 0.00 42.92 44.26 3gdk s ASP 175 CO 0.40 -0.24 1.82 2.29 0.52 0.00 0.00 175.17 179.97 3gdk n LYS 176 N 4.70 0.00 0.10 4.34 2.85 -1.26 -1.36 118.16 127.53 3gdk n LYS 176 Ca 0.09 0.06 -0.16 0.00 -1.05 0.00 0.00 58.31 57.24 3gdk n LYS 176 Cb 0.53 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.27 3gdk n LYS 176 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gdk h ASP 177 N 0.00 0.42 0.00 -5.58 3.32 -1.93 -3.39 116.42 109.26 3gdk h ASP 177 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 57.03 56.26 3gdk h ASP 177 Cb 0.44 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 3gdk h ASP 177 CO 0.00 1.38 -2.19 0.33 -1.72 0.00 0.00 179.24 177.04 3gdk n PHE 178 N -3.52 0.00 -2.86 4.55 7.35 -1.19 -4.36 117.46 117.43 3gdk n PHE 178 Ca -0.10 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.16 3gdk n PHE 178 Cb 1.03 -0.81 -0.04 0.00 0.35 0.00 0.00 39.48 40.01 3gdk n PHE 178 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gdk s VAL 179 N -2.42 4.56 -1.85 -2.13 1.01 -0.46 -1.00 120.40 118.11 3gdk s VAL 179 Ca -0.28 0.84 0.24 0.00 0.00 0.00 0.00 61.98 62.78 3gdk s VAL 179 Cb 0.07 -4.36 0.09 0.00 0.00 0.00 0.00 36.38 32.19 3gdk s VAL 179 CO 0.48 -0.68 1.28 2.30 0.00 0.00 0.00 175.10 178.48 3gdk n ILE 180 N 6.18 0.00 -2.82 2.22 -5.35 -0.03 -4.60 119.36 114.95 3gdk n ILE 180 Ca 0.05 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3gdk n ILE 180 Cb 0.48 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 3gdk n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdk n GLY 181 N 1.39 -0.46 3.16 3.28 0.00 -1.24 -0.94 105.19 110.38 3gdk n GLY 181 Ca 0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3gdk n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdk s PHE 182 N -3.28 0.84 -0.41 1.61 0.08 -0.36 -1.27 117.98 115.19 3gdk s PHE 182 Ca 0.00 -1.04 -0.15 0.00 0.12 0.00 0.00 56.93 55.86 3gdk s PHE 182 Cb 0.00 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.96 3gdk s PHE 182 CO 0.00 -0.30 0.29 0.42 -0.10 0.00 0.00 175.22 175.53 3gdk s ILE 183 N -3.80 5.19 0.27 0.64 -1.09 -0.66 -1.29 121.20 120.46 3gdk s ILE 183 Ca 0.15 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 3gdk s ILE 183 Cb 0.07 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3gdk s ILE 183 CO -0.03 -0.30 0.47 0.00 -1.23 0.00 0.00 174.94 173.85 3gdk s ALA 184 N 1.67 -0.02 -1.17 9.38 0.00 -0.88 -2.63 121.76 128.10 3gdk s ALA 184 Ca 0.05 -1.02 0.17 0.00 0.00 0.00 0.00 51.96 51.16 3gdk s ALA 184 Cb -0.19 1.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.91 3gdk s ALA 184 CO 0.10 -0.84 0.81 1.04 0.00 0.00 0.00 175.76 176.86 3gdk n GLN 185 N -0.41 1.51 -4.01 0.00 1.13 -1.26 -4.06 117.38 110.27 3gdk n GLN 185 Ca -0.01 -0.39 -0.11 0.00 -1.94 0.00 0.00 57.00 54.54 3gdk n GLN 185 Cb 0.62 -1.31 -0.04 0.00 0.11 0.00 0.00 30.24 29.62 3gdk n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdk s ARG 186 N -2.34 1.79 0.38 -1.09 1.70 -1.26 -4.93 118.95 113.19 3gdk s ARG 186 Ca 0.10 -1.49 -0.27 0.00 -0.47 0.00 0.00 55.73 53.60 3gdk s ARG 186 Cb 0.13 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.90 3gdk s ARG 186 CO 0.58 -0.76 1.37 0.34 -1.08 0.00 0.00 175.30 175.75 3gdk s ASP 187 N -3.11 6.43 -0.07 -2.89 2.15 -1.26 -4.93 116.67 112.99 3gdk s ASP 187 Ca 0.25 2.81 0.13 0.00 0.43 0.00 0.00 52.55 56.17 3gdk s ASP 187 Cb -0.01 -2.65 0.41 0.00 -0.30 0.00 0.00 42.92 40.37 3gdk s ASP 187 CO 0.14 -0.79 1.34 0.23 -0.17 0.00 0.00 175.17 175.92 3gdk n MET 188 N 0.41 2.95 0.00 4.34 2.81 -1.26 -5.09 117.12 121.27 3gdk n MET 188 Ca 0.02 -2.38 0.00 0.00 -1.81 0.00 0.00 57.70 53.53 3gdk n MET 188 Cb 0.42 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3gdk n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdk n GLY 189 N 0.20 1.92 1.61 3.03 0.00 -1.26 -4.93 105.19 105.75 3gdk n GLY 189 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3gdk n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdk n GLY 190 N 0.00 3.24 0.29 -0.02 0.00 -1.26 -4.72 105.19 102.71 3gdk n GLY 190 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3gdk n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdk h ARG 191 N 1.93 0.00 0.00 1.61 3.08 -1.91 0.18 114.38 119.28 3gdk h ARG 191 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3gdk h ARG 191 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3gdk h ARG 191 CO 0.00 0.00 -0.39 -0.44 -1.07 0.00 0.00 179.97 178.07 3gdk h ASP 192 N 0.00 0.00 -0.68 7.04 3.32 -1.90 -3.09 116.42 121.11 3gdk h ASP 192 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gdk h ASP 192 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3gdk h ASP 192 CO -0.00 0.39 0.00 -0.62 -1.72 0.00 0.00 179.24 177.29 3gdk n GLU 193 N -3.48 2.97 -0.79 3.56 4.71 -0.44 -4.94 120.64 122.23 3gdk n GLU 193 Ca 0.00 -2.67 0.00 0.00 -0.01 0.00 0.00 57.16 54.48 3gdk n GLU 193 Cb 0.54 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 3gdk n GLU 193 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gdk n GLY 194 N 1.42 0.56 3.73 0.62 0.00 -1.01 -5.06 105.19 105.44 3gdk n GLY 194 Ca 0.24 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3gdk n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdk s TYR 195 N -2.00 3.28 -0.54 1.61 2.02 -0.08 -5.00 117.35 116.65 3gdk s TYR 195 Ca 0.00 0.26 0.04 0.00 -0.37 0.00 0.00 57.07 57.00 3gdk s TYR 195 Cb 0.00 -1.86 0.14 0.00 -0.40 0.00 0.00 41.96 39.84 3gdk s TYR 195 CO 0.00 0.50 0.32 0.34 -1.57 0.00 0.00 175.55 175.14 3gdk s ASP 196 N -0.77 4.07 -0.05 2.29 2.15 -1.26 -3.17 116.67 119.92 3gdk s ASP 196 Ca 0.12 -3.14 -0.19 0.00 0.43 0.00 0.00 52.55 49.78 3gdk s ASP 196 Cb -0.12 -1.38 -0.05 0.00 -0.30 0.00 0.00 42.92 41.07 3gdk s ASP 196 CO 0.03 -0.20 0.52 0.26 -0.17 0.00 0.00 175.17 175.61 3gdk s TRP 197 N -0.40 3.62 0.12 -5.34 0.51 -1.26 -4.87 118.94 111.32 3gdk s TRP 197 Ca 0.20 1.04 -0.30 0.00 -2.12 0.00 0.00 56.10 54.92 3gdk s TRP 197 Cb -0.18 -2.54 -0.06 0.00 -0.81 0.00 0.00 33.47 29.88 3gdk s TRP 197 CO -0.06 0.32 1.12 -0.51 -0.51 0.00 0.00 176.95 177.31 3gdk s LEU 198 N 0.02 4.44 -0.31 2.99 1.43 -0.12 -4.91 118.68 122.22 3gdk s LEU 198 Ca 0.28 2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 55.35 3gdk s LEU 198 Cb -0.17 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.50 3gdk s LEU 198 CO 0.14 -0.30 0.04 -0.63 0.23 0.00 0.00 176.35 175.82 3gdk s ILE 199 N 0.32 3.35 -0.21 -0.59 -1.09 -1.26 -1.23 121.20 120.48 3gdk s ILE 199 Ca 0.53 -1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 57.71 3gdk s ILE 199 Cb -0.28 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 3gdk s ILE 199 CO 0.32 -0.07 0.02 -0.04 -1.23 0.00 0.00 174.94 173.95 3gdk s MET 200 N 1.34 3.67 -0.17 2.79 -1.94 -0.41 -0.29 119.30 124.29 3gdk s MET 200 Ca -0.03 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3gdk s MET 200 Cb -0.19 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.52 3gdk s MET 200 CO 0.00 -0.01 -0.20 0.99 -0.01 0.00 0.00 175.02 175.80 3gdk s THR 201 N 1.08 2.02 0.76 2.05 2.01 0.06 -2.06 115.64 121.56 3gdk s THR 201 Ca 0.03 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 3gdk s THR 201 Cb -0.14 -1.82 0.14 0.00 0.01 0.00 0.00 72.50 70.69 3gdk s THR 201 CO 0.02 0.53 1.05 -2.16 -0.69 0.00 0.00 174.62 173.38 3gdk s PRO 202 N 1.24 1.47 -0.71 4.92 0.04 -1.26 -1.00 135.00 139.69 3gdk s PRO 202 Ca 0.03 -1.07 -0.04 0.00 0.04 0.00 0.00 61.00 59.97 3gdk s PRO 202 Cb -0.13 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3gdk s PRO 202 CO -0.11 -1.63 0.50 0.41 0.04 0.00 0.00 177.00 176.21 3gdk n GLY 203 N -2.99 0.16 3.63 0.56 0.00 -1.25 -4.90 105.19 100.41 3gdk n GLY 203 Ca 0.16 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3gdk n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdk s VAL 204 N -3.06 4.16 0.00 1.61 1.01 -1.26 -2.17 120.40 120.68 3gdk s VAL 204 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3gdk s VAL 204 Cb -0.11 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3gdk s VAL 204 CO 0.31 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.60 3gdk n GLY 205 N 2.46 -0.16 0.00 4.51 0.00 -1.26 -4.87 105.19 105.87 3gdk n GLY 205 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gdk n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdk n ARG 218 N -2.04 0.00 -2.13 1.61 1.74 -0.92 -4.73 116.66 110.19 3gdk n ARG 218 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3gdk n ARG 218 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3gdk n ARG 218 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gdk s THR 219 N 0.00 4.73 0.12 0.55 -4.23 -1.26 -4.94 115.64 110.60 3gdk s THR 219 Ca 0.00 0.63 -0.23 0.00 -1.18 0.00 0.00 61.69 60.91 3gdk s THR 219 Cb 0.00 -3.85 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 3gdk s THR 219 CO 0.00 -1.02 1.68 0.58 -0.54 0.00 0.00 174.62 175.31 3gdk h VAL 220 N -0.15 0.64 -0.98 2.29 2.07 -1.93 -2.37 116.25 115.83 3gdk h VAL 220 Ca -0.45 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.17 3gdk h VAL 220 Cb 1.20 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3gdk h VAL 220 CO 0.62 0.00 0.62 0.44 0.02 0.00 0.00 177.57 179.27 3gdk h ASP 221 N -0.21 0.93 0.13 0.57 3.45 -1.94 -1.69 116.42 117.66 3gdk h ASP 221 Ca 0.06 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 3gdk h ASP 221 Cb 0.30 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3gdk h ASP 221 CO -0.17 0.54 -0.06 -0.78 -1.57 0.00 0.00 179.24 177.20 3gdk h ASP 222 N 1.02 -0.15 -0.25 6.45 3.58 -1.83 -1.56 116.42 123.69 3gdk h ASP 222 Ca 0.46 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.68 3gdk h ASP 222 Cb 0.37 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 3gdk h ASP 222 CO -0.21 0.01 -0.34 -0.37 -2.88 0.00 0.00 179.24 175.45 3gdk h VAL 223 N -0.30 1.31 -0.42 2.25 -1.51 -1.23 -2.18 116.25 114.17 3gdk h VAL 223 Ca -0.02 -1.53 -0.08 0.00 -1.23 0.00 0.00 66.70 63.84 3gdk h VAL 223 Cb 0.24 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 3gdk h VAL 223 CO 0.03 0.48 -0.06 0.58 -1.23 0.00 0.00 177.57 177.37 3gdk h VAL 224 N 0.38 1.24 -0.02 7.19 2.07 -1.37 -0.70 116.25 125.04 3gdk h VAL 224 Ca 0.03 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3gdk h VAL 224 Cb 0.92 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3gdk h VAL 224 CO 0.08 0.36 -0.42 -1.28 0.02 0.00 0.00 177.57 176.33 3gdk h SER 225 N 0.67 0.04 1.36 0.57 0.87 -1.28 -2.64 113.55 113.14 3gdk h SER 225 Ca 0.12 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3gdk h SER 225 Cb 0.50 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3gdk h SER 225 CO 0.03 0.47 0.00 0.74 -0.53 0.00 0.00 176.83 177.53 3gdk h THR 226 N 0.04 0.00 0.00 2.23 2.02 -0.68 -3.47 112.91 113.05 3gdk h THR 226 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3gdk h THR 226 Cb 0.77 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3gdk h THR 226 CO 0.06 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3gdk n GLY 227 N 0.87 0.65 3.74 2.16 0.00 -0.89 -4.01 105.19 107.70 3gdk n GLY 227 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3gdk n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdk s SER 228 N -0.44 6.54 -0.09 1.61 0.01 -0.35 -4.75 113.70 116.23 3gdk s SER 228 Ca 0.00 2.75 0.11 0.00 1.31 0.00 0.00 55.95 60.11 3gdk s SER 228 Cb 0.00 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.38 3gdk s SER 228 CO 0.00 -0.81 0.47 0.47 0.41 0.00 0.00 173.24 173.78 3gdk n ASP 229 N 2.81 0.90 -3.93 2.44 8.00 0.60 -4.46 116.55 122.92 3gdk n ASP 229 Ca 0.10 0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.69 3gdk n ASP 229 Cb 0.39 0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.37 3gdk n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdk s ILE 230 N -2.57 0.51 -0.22 0.53 1.01 -0.68 -4.82 121.20 114.96 3gdk s ILE 230 Ca -0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 3gdk s ILE 230 Cb 0.07 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 3gdk s ILE 230 CO 0.81 0.19 0.23 0.27 0.00 0.00 0.00 174.94 176.44 3gdk s ILE 231 N 0.44 5.32 -0.32 2.92 -4.36 -0.34 -0.76 121.20 124.11 3gdk s ILE 231 Ca -0.06 0.35 -0.12 0.00 -0.26 0.00 0.00 60.65 60.57 3gdk s ILE 231 Cb -0.09 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 3gdk s ILE 231 CO -0.00 0.33 0.23 -0.63 0.24 0.00 0.00 174.94 175.11 3gdk s ILE 232 N 1.03 5.29 -0.07 8.37 1.01 -0.17 -0.83 121.20 135.82 3gdk s ILE 232 Ca 0.11 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.76 3gdk s ILE 232 Cb -0.14 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 3gdk s ILE 232 CO 0.05 0.09 -0.22 -0.69 0.00 0.00 0.00 174.94 174.17 3gdk s VAL 233 N 1.75 1.83 0.00 2.92 1.01 -0.70 -3.85 120.40 123.35 3gdk s VAL 233 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3gdk s VAL 233 Cb -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3gdk s VAL 233 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3gdk n GLY 234 N 3.32 0.78 0.46 4.51 0.00 -1.26 -1.37 105.19 111.63 3gdk n GLY 234 Ca -0.19 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.10 3gdk n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdk h ARG 235 N 0.00 0.00 0.00 1.61 2.47 -1.99 0.16 114.38 116.63 3gdk h ARG 235 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3gdk h ARG 235 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3gdk h ARG 235 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 3gdk n GLY 236 N -1.64 -0.84 0.09 0.04 0.00 -1.26 -1.19 105.19 100.39 3gdk n GLY 236 Ca 0.17 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 3gdk n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdk n LEU 237 N -2.06 0.00 0.00 0.99 4.77 0.57 -4.83 117.00 116.45 3gdk n LEU 237 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gdk n LEU 237 Cb 0.06 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3gdk n LEU 237 CO 0.09 0.47 -0.01 2.22 -1.33 0.00 0.00 177.39 178.83 3gdk n PHE 238 N -2.71 0.00 -2.24 -1.77 1.16 -0.96 -3.28 117.46 107.65 3gdk n PHE 238 Ca -0.31 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.00 3gdk n PHE 238 Cb 1.12 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 39.13 3gdk n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdk s ALA 239 N -0.40 2.95 -1.38 1.98 0.00 -0.33 -4.05 121.76 120.52 3gdk s ALA 239 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.47 3gdk s ALA 239 Cb 0.00 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.74 3gdk s ALA 239 CO 0.00 -1.92 0.55 1.63 0.00 0.00 0.00 175.76 176.02 3gdk n LYS 240 N -3.29 -4.02 -1.23 0.00 4.76 -1.26 -1.48 118.16 111.63 3gdk n LYS 240 Ca 0.15 0.63 -0.08 0.00 -2.87 0.00 0.00 58.31 56.14 3gdk n LYS 240 Cb 0.60 -5.40 -0.03 0.00 -1.84 0.00 0.00 35.03 28.35 3gdk n LYS 240 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdk n GLY 241 N -1.32 0.98 3.76 0.72 0.00 -1.26 -5.01 105.19 103.06 3gdk n GLY 241 Ca -0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3gdk n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdk s ARG 242 N -2.47 2.04 -0.50 1.61 0.52 -0.55 -5.00 118.95 114.59 3gdk s ARG 242 Ca 0.00 0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 56.04 3gdk s ARG 242 Cb 0.00 -1.89 0.11 0.00 0.52 0.00 0.00 34.95 33.70 3gdk s ARG 242 CO 0.00 -1.74 0.43 0.34 0.02 0.00 0.00 175.30 174.35 3gdk s ASP 243 N -3.52 6.05 0.39 0.23 3.68 -1.26 -4.80 116.67 117.44 3gdk s ASP 243 Ca 0.61 -1.69 0.22 0.00 2.13 0.00 0.00 52.55 53.82 3gdk s ASP 243 Cb -0.17 -2.15 1.26 0.00 -1.45 0.00 0.00 42.92 40.42 3gdk s ASP 243 CO 0.56 -0.76 1.65 0.00 0.13 0.00 0.00 175.17 176.76 3gdk h ALA 244 N 8.74 2.35 -0.15 3.66 0.00 -1.89 0.78 119.26 132.75 3gdk h ALA 244 Ca -0.27 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3gdk h ALA 244 Cb 1.10 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gdk h ALA 244 CO 0.95 -0.96 -0.06 0.87 0.00 0.00 0.00 179.25 180.05 3gdk h LYS 245 N 0.20 0.31 -0.32 0.00 1.57 -1.86 0.20 116.57 116.66 3gdk h LYS 245 Ca 0.76 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.37 3gdk h LYS 245 Cb 2.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.38 3gdk h LYS 245 CO -0.49 0.62 0.05 0.28 -0.57 0.00 0.00 179.45 179.34 3gdk h VAL 246 N -0.02 1.24 -0.61 0.50 2.07 -1.33 -2.15 116.25 115.95 3gdk h VAL 246 Ca 0.03 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 3gdk h VAL 246 Cb 0.52 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3gdk h VAL 246 CO 0.02 0.27 0.01 -0.33 0.02 0.00 0.00 177.57 177.56 3gdk h GLU 247 N 0.36 1.08 -0.78 1.57 4.39 -1.00 -0.62 114.58 119.59 3gdk h GLU 247 Ca 0.10 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.50 3gdk h GLU 247 Cb 0.35 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3gdk h GLU 247 CO 0.01 1.04 0.49 0.78 -1.16 0.00 0.00 179.01 180.17 3gdk h GLY 248 N 0.98 1.13 0.86 -3.84 0.00 -0.45 0.10 103.07 101.85 3gdk h GLY 248 Ca 0.17 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 3gdk h GLY 248 CO 0.03 0.30 -0.24 -2.09 0.00 0.00 0.00 176.54 174.54 3gdk h GLU 249 N 0.94 0.53 -0.09 4.80 4.57 -1.20 -1.49 114.58 122.65 3gdk h GLU 249 Ca 0.32 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3gdk h GLU 249 Cb 0.05 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3gdk h GLU 249 CO -0.12 0.88 -0.16 -0.09 -1.18 0.00 0.00 179.01 178.34 3gdk h ARG 250 N 0.21 -0.21 -0.36 1.92 2.43 -0.73 -0.42 114.38 117.22 3gdk h ARG 250 Ca 0.03 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3gdk h ARG 250 Cb 0.80 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3gdk h ARG 250 CO 0.06 -0.14 -0.29 1.88 -1.51 0.00 0.00 179.97 179.97 3gdk h TYR 251 N -0.21 0.87 -0.43 2.20 -1.99 -1.01 -2.43 116.97 113.96 3gdk h TYR 251 Ca 0.08 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.60 3gdk h TYR 251 Cb 0.33 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 3gdk h TYR 251 CO -0.25 0.95 0.28 -0.09 -0.00 0.00 0.00 178.16 179.04 3gdk h ARG 252 N 0.64 0.55 -0.32 4.88 2.43 -0.92 -0.43 114.38 121.21 3gdk h ARG 252 Ca 0.08 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3gdk h ARG 252 Cb 0.81 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3gdk h ARG 252 CO 0.07 0.36 0.17 -0.22 -1.51 0.00 0.00 179.97 178.84 3gdk h LYS 253 N 0.56 0.45 -0.47 0.20 3.64 -0.99 -0.58 116.57 119.39 3gdk h LYS 253 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3gdk h LYS 253 Cb -0.05 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3gdk h LYS 253 CO -0.04 0.39 0.17 0.00 -2.27 0.00 0.00 179.45 177.69 3gdk h ALA 254 N 1.04 0.61 -0.45 5.00 0.00 -1.22 -0.77 119.26 123.47 3gdk h ALA 254 Ca 0.11 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3gdk h ALA 254 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gdk h ALA 254 CO -0.02 0.24 -0.18 0.78 0.00 0.00 0.00 179.25 180.06 3gdk h GLY 255 N 0.61 1.00 1.02 0.00 0.00 -0.98 -2.25 103.07 102.47 3gdk h GLY 255 Ca 0.15 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 3gdk h GLY 255 CO -0.01 0.80 -0.11 -0.25 0.00 0.00 0.00 176.54 176.97 3gdk h TRP 256 N 0.76 0.95 -0.24 5.60 2.91 -1.00 -1.60 115.95 123.34 3gdk h TRP 256 Ca 0.10 -0.21 -0.08 0.00 1.13 0.00 0.00 58.89 59.83 3gdk h TRP 256 Cb 0.75 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 3gdk h TRP 256 CO 0.05 0.95 -0.22 0.93 -1.03 0.00 0.00 178.44 179.13 3gdk h GLU 257 N 0.68 0.43 -0.43 2.65 5.08 -1.14 -0.83 114.58 121.03 3gdk h GLU 257 Ca 0.11 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3gdk h GLU 257 Cb 0.65 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3gdk h GLU 257 CO 0.04 0.63 -0.17 0.00 -1.00 0.00 0.00 179.01 178.51 3gdk h ALA 258 N 1.38 0.89 0.12 3.43 0.00 -1.22 -2.45 119.26 121.41 3gdk h ALA 258 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3gdk h ALA 258 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gdk h ALA 258 CO 0.04 0.63 -0.06 -0.92 0.00 0.00 0.00 179.25 178.94 3gdk h TYR 259 N 0.73 -0.15 -0.45 0.00 3.20 -0.61 -2.77 116.97 116.93 3gdk h TYR 259 Ca 0.11 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 3gdk h TYR 259 Cb 0.68 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3gdk h TYR 259 CO 0.04 -0.02 0.30 -0.07 -1.64 0.00 0.00 178.16 176.77 3gdk h LEU 260 N -0.24 0.33 -0.48 2.82 3.38 -1.06 -1.98 115.31 118.08 3gdk h LEU 260 Ca -0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3gdk h LEU 260 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3gdk h LEU 260 CO 0.03 0.22 -0.19 0.03 0.09 0.00 0.00 178.44 178.61 3gdk h ARG 261 N 0.38 0.00 -7.12 1.13 3.08 -1.26 -3.46 114.38 107.13 3gdk h ARG 261 Ca 0.19 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.70 3gdk h ARG 261 Cb 0.29 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.48 3gdk h ARG 261 CO -0.05 0.19 0.47 0.50 -1.07 0.00 0.00 179.97 180.02 3gdk s ARG 262 N -3.31 2.62 -0.11 0.04 3.52 -0.75 -4.96 118.95 116.00 3gdk s ARG 262 Ca 0.04 1.89 -0.26 0.00 -0.13 0.00 0.00 55.73 57.26 3gdk s ARG 262 Cb 0.08 -1.88 -0.02 0.00 -1.56 0.00 0.00 34.95 31.57 3gdk s ARG 262 CO 0.66 -1.49 0.86 0.00 -0.81 0.00 0.00 175.30 174.52 3gdk s GLY 264 N 1.05 1.39 -0.11 0.00 0.00 -1.26 -4.35 107.32 104.03 3gdk s GLY 264 Ca 0.42 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 3gdk s GLY 264 CO 0.17 -0.79 1.35 1.62 0.00 0.00 0.00 173.10 175.45 3gdk s GLN 265 N -4.41 4.24 0.00 2.90 2.00 0.52 -4.84 119.66 120.07 3gdk s GLN 265 Ca 0.42 1.80 0.09 0.00 -2.00 0.00 0.00 55.36 55.67 3gdk s GLN 265 Cb -0.10 -3.76 0.07 0.00 0.80 0.00 0.00 33.01 30.02 3gdk s GLN 265 CO 0.37 -0.69 0.77 1.04 -0.50 0.00 0.00 175.29 176.29