#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 0.69 0.74 7.82 0.00 -1.26 -5.02 121.76 124.73 3gdk s ALA 4 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 3gdk s ALA 4 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.25 3gdk s ALA 4 CO 0.00 -3.49 1.10 0.95 0.00 0.00 0.00 175.76 174.32 3gdk s THR 5 N -3.03 3.35 0.22 0.00 -4.23 -1.26 -4.83 115.64 105.86 3gdk s THR 5 Ca 0.70 0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 61.58 3gdk s THR 5 Cb -0.10 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 70.57 3gdk s THR 5 CO 0.56 -0.57 1.84 1.88 -0.54 0.00 0.00 174.62 177.79 3gdk h TYR 6 N -0.80 0.87 -0.13 3.99 0.05 -1.95 -0.62 116.97 118.38 3gdk h TYR 6 Ca -0.46 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.37 3gdk h TYR 6 Cb 1.26 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 3gdk h TYR 6 CO 0.49 0.45 0.01 -0.22 -1.05 0.00 0.00 178.16 177.85 3gdk h LYS 7 N 0.87 0.06 -0.49 4.88 3.64 -1.93 -1.22 116.57 122.39 3gdk h LYS 7 Ca 0.33 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3gdk h LYS 7 Cb 0.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3gdk h LYS 7 CO -0.16 0.04 0.31 0.93 -2.27 0.00 0.00 179.45 178.31 3gdk h GLU 8 N 0.06 0.65 -0.31 1.90 5.08 -1.80 -2.46 114.58 117.70 3gdk h GLU 8 Ca 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3gdk h GLU 8 Cb 0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3gdk h GLU 8 CO -0.09 0.45 0.06 0.00 -1.00 0.00 0.00 179.01 178.43 3gdk h ARG 9 N 0.66 0.45 -0.21 2.33 3.08 -0.89 -2.57 114.38 117.22 3gdk h ARG 9 Ca 0.18 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3gdk h ARG 9 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3gdk h ARG 9 CO -0.04 0.43 0.09 0.00 -1.07 0.00 0.00 179.97 179.38 3gdk h ALA 10 N 1.63 0.28 0.00 0.04 0.00 -0.79 -1.29 119.26 119.13 3gdk h ALA 10 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gdk h ALA 10 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gdk h ALA 10 CO -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.04 3gdk h ALA 11 N 0.93 1.33 -0.02 0.00 0.00 -1.06 -3.17 119.26 117.27 3gdk h ALA 11 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gdk h ALA 11 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gdk h ALA 11 CO -0.01 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.59 3gdk n THR 12 N -3.66 0.05 -2.41 0.00 -2.24 -1.10 -5.03 114.28 99.89 3gdk n THR 12 Ca -0.02 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 3gdk n THR 12 Cb 0.19 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.55 3.45 0.36 4.78 2.46 -0.50 -4.93 115.29 120.36 3gdk s HIS 13 Ca 0.08 1.35 0.27 0.00 0.47 0.00 0.00 55.06 57.22 3gdk s HIS 13 Cb 0.05 -3.42 1.35 0.00 -0.13 0.00 0.00 32.58 30.44 3gdk s HIS 13 CO 0.08 -1.23 2.03 -1.00 -2.47 0.00 0.00 174.74 172.15 3gdk h PRO 14 N 6.26 0.00 -5.42 2.88 0.13 -1.90 -3.43 132.00 130.52 3gdk h PRO 14 Ca -0.43 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 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 0.79 0.14 0.04 0.45 -0.23 0.00 0.00 178.00 179.19 3gdk s SER 15 N -6.16 6.49 0.42 1.44 0.15 -1.26 -4.84 113.70 109.94 3gdk s SER 15 Ca -0.02 0.59 0.08 0.00 0.70 0.00 0.00 55.95 57.31 3gdk s SER 15 Cb 0.13 -2.30 0.90 0.00 -1.71 0.00 0.00 66.02 63.04 3gdk s SER 15 CO 0.59 -0.31 2.05 1.55 1.20 0.00 0.00 173.24 178.33 3gdk h PRO 16 N 7.93 0.50 -0.29 5.44 0.13 -1.83 0.04 132.00 143.93 3gdk h PRO 16 Ca -0.29 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 3gdk h PRO 16 Cb 1.14 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3gdk h PRO 16 CO 0.74 0.33 -0.21 0.28 -0.23 0.00 0.00 178.00 178.91 3gdk h VAL 17 N 0.51 1.30 -0.61 1.56 2.07 -1.91 -1.97 116.25 117.21 3gdk h VAL 17 Ca 0.16 -1.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 3gdk h VAL 17 Cb 0.03 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3gdk h VAL 17 CO -0.04 0.43 0.02 0.00 0.02 0.00 0.00 177.57 178.00 3gdk h ALA 18 N 0.72 0.88 -0.54 1.67 0.00 -1.80 -1.13 119.26 119.06 3gdk h ALA 18 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3gdk h ALA 18 Cb 0.76 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gdk h ALA 18 CO 0.06 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.22 3gdk h ALA 19 N 1.03 0.70 -0.46 0.00 0.00 -0.96 -0.44 119.26 119.14 3gdk h ALA 19 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gdk h ALA 19 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gdk h ALA 19 CO 0.03 0.27 0.23 -0.22 0.00 0.00 0.00 179.25 179.56 3gdk h LYS 20 N 0.73 0.66 -0.47 0.00 3.64 -1.13 -1.75 116.57 118.24 3gdk h LYS 20 Ca 0.19 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3gdk h LYS 20 Cb 0.13 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3gdk h LYS 20 CO -0.02 0.54 0.06 1.25 -2.27 0.00 0.00 179.45 179.01 3gdk h LEU 21 N 0.60 0.76 -1.21 5.20 5.85 -0.93 -1.54 115.31 124.04 3gdk h LEU 21 Ca 0.16 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3gdk h LEU 21 Cb 0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3gdk h LEU 21 CO -0.02 0.84 0.13 -0.26 -0.34 0.00 0.00 178.44 178.78 3gdk h PHE 22 N 0.65 0.69 -0.36 1.25 0.04 -0.95 -1.10 116.94 117.16 3gdk h PHE 22 Ca 0.14 -0.05 -0.15 0.00 2.80 0.00 0.00 57.97 60.72 3gdk h PHE 22 Cb 0.41 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3gdk h PHE 22 CO 0.03 0.58 -0.36 -0.91 -0.60 0.00 0.00 178.31 177.04 3gdk h ASN 23 N 0.66 0.88 -0.32 2.17 -0.26 -1.09 -1.92 115.58 115.71 3gdk h ASN 23 Ca 0.15 -0.39 -0.00 0.00 -0.56 0.00 0.00 56.30 55.50 3gdk h ASN 23 Cb 0.22 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 3gdk h ASN 23 CO -0.01 1.15 0.19 0.40 -1.06 0.00 0.00 177.43 178.10 3gdk h ILE 24 N 0.69 1.12 -0.50 2.81 2.04 -0.78 -0.01 117.51 122.89 3gdk h ILE 24 Ca 0.06 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3gdk h ILE 24 Cb 0.93 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3gdk h ILE 24 CO 0.09 0.12 0.30 0.24 0.00 0.00 0.00 178.15 178.89 3gdk h MET 25 N 0.41 0.57 0.25 2.37 2.86 -1.09 -0.54 114.93 119.77 3gdk h MET 25 Ca 0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3gdk h MET 25 Cb 0.03 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3gdk h MET 25 CO -0.02 0.38 -0.12 1.25 1.06 0.00 0.00 176.91 179.46 3gdk h HIS 26 N 0.59 -0.32 -0.50 -0.22 -0.00 -1.05 0.11 115.15 113.75 3gdk h HIS 26 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 3gdk h HIS 26 Cb 0.02 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 3gdk h HIS 26 CO -0.07 -0.02 0.31 0.93 -0.00 0.00 0.00 177.93 179.08 3gdk h GLU 27 N -0.60 0.67 -0.03 5.26 5.08 -0.90 -2.50 114.58 121.56 3gdk h GLU 27 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3gdk h GLU 27 Cb 0.44 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3gdk h GLU 27 CO 0.06 0.46 -0.04 1.63 -1.00 0.00 0.00 179.01 180.12 3gdk n LYS 28 N -4.44 2.13 -3.77 2.33 5.02 -0.22 -4.99 118.16 114.22 3gdk n LYS 28 Ca 0.04 -1.81 -0.25 0.00 -2.02 0.00 0.00 58.31 54.28 3gdk n LYS 28 Cb 0.07 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.20 -3.32 -3.80 1.97 6.02 0.29 -4.99 117.38 114.74 3gdk n GLN 29 Ca 0.13 0.51 -0.13 0.00 -0.01 0.00 0.00 57.00 57.51 3gdk n GLN 29 Cb 0.57 -4.70 -0.12 0.00 1.02 0.00 0.00 30.24 27.01 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 -3.71 0.01 -0.11 5.09 -1.32 -0.64 -4.82 115.64 110.14 3gdk s THR 30 Ca 0.14 -0.08 0.15 0.00 -1.21 0.00 0.00 61.69 60.68 3gdk s THR 30 Cb -0.04 -0.34 0.32 0.00 -1.51 0.00 0.00 72.50 70.93 3gdk s THR 30 CO 0.85 -0.04 1.15 -0.46 -2.21 0.00 0.00 174.62 173.91 3gdk n ASN 31 N 2.77 1.43 -4.70 8.08 0.23 -1.26 -4.29 115.26 117.52 3gdk n ASN 31 Ca -0.14 -2.95 -0.38 0.00 -0.53 0.00 0.00 54.58 50.59 3gdk n ASN 31 Cb 0.58 -0.40 -0.07 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.88 4.22 -0.17 -4.53 2.96 -1.26 -1.26 118.68 116.76 3gdk s LEU 32 Ca 0.29 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 3gdk s LEU 32 Cb 0.29 -2.57 -0.00 0.00 0.50 0.00 0.00 46.19 44.41 3gdk s LEU 32 CO -0.05 -0.01 -0.12 0.00 -1.32 0.00 0.00 176.35 174.85 3gdk s ALA 34 N 0.98 3.56 -0.41 0.00 0.00 -0.75 -1.21 121.76 123.93 3gdk s ALA 34 Ca -0.02 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3gdk s ALA 34 Cb -0.15 -2.60 0.06 0.00 0.00 0.00 0.00 23.12 20.43 3gdk s ALA 34 CO -0.02 -0.30 0.26 0.45 0.00 0.00 0.00 175.76 176.16 3gdk s SER 35 N 1.07 5.77 -0.53 0.00 0.15 0.50 -0.13 113.70 120.52 3gdk s SER 35 Ca 0.18 -1.28 -0.09 0.00 0.70 0.00 0.00 55.95 55.45 3gdk s SER 35 Cb -0.15 -2.04 0.13 0.00 -1.71 0.00 0.00 66.02 62.26 3gdk s SER 35 CO 0.08 -0.50 0.40 -0.76 1.20 0.00 0.00 173.24 173.66 3gdk s LEU 36 N 1.51 5.76 -0.99 3.45 1.43 -0.62 -4.21 118.68 125.01 3gdk s LEU 36 Ca 0.03 -2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 50.91 3gdk s LEU 36 Cb -0.22 -2.02 0.24 0.00 0.03 0.00 0.00 46.19 44.23 3gdk s LEU 36 CO 0.05 -0.65 0.99 1.51 0.23 0.00 0.00 176.35 178.47 3gdk s ASP 37 N 2.42 7.06 0.31 2.29 -4.77 -1.26 -4.14 116.67 118.58 3gdk s ASP 37 Ca 0.08 -3.13 0.10 0.00 -3.30 0.00 0.00 52.55 46.30 3gdk s ASP 37 Cb -0.24 -2.23 -0.05 0.00 -1.09 0.00 0.00 42.92 39.31 3gdk s ASP 37 CO -0.02 -0.46 -0.07 0.68 0.70 0.00 0.00 175.17 176.00 3gdk s VAL 38 N -0.38 2.66 -0.09 2.11 -7.23 -1.26 -5.07 120.40 111.14 3gdk s VAL 38 Ca 0.26 -2.13 0.14 0.00 -1.81 0.00 0.00 61.98 58.45 3gdk s VAL 38 Cb -0.09 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 3gdk s VAL 38 CO -0.08 -0.29 1.07 0.03 -0.31 0.00 0.00 175.10 175.53 3gdk h ARG 39 N 1.99 0.00 -6.47 4.82 3.08 -1.95 -3.37 114.38 112.47 3gdk h ARG 39 Ca -0.42 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.00 3gdk h ARG 39 Cb 1.25 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.06 3gdk h ARG 39 CO 0.64 0.49 -0.85 0.95 -1.07 0.00 0.00 179.97 180.13 3gdk s THR 40 N -2.87 1.94 0.33 2.04 -4.23 -1.26 0.25 115.64 111.84 3gdk s THR 40 Ca -0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3gdk s THR 40 Cb 0.08 -1.71 0.25 0.00 1.34 0.00 0.00 72.50 72.47 3gdk s THR 40 CO 0.79 0.14 1.98 0.74 -0.54 0.00 0.00 174.62 177.74 3gdk h THR 41 N 4.13 1.19 0.04 3.99 2.02 -1.91 -1.98 112.91 120.38 3gdk h THR 41 Ca -0.47 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.36 3gdk h THR 41 Cb 1.16 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3gdk h THR 41 CO 0.41 0.19 -0.20 0.50 0.37 0.00 0.00 175.52 176.79 3gdk h LYS 42 N 0.94 -0.33 -0.75 6.66 3.64 -1.95 0.59 116.57 125.38 3gdk h LYS 42 Ca 0.25 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3gdk h LYS 42 Cb -0.08 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3gdk h LYS 42 CO -0.05 -0.22 0.31 1.49 -2.27 0.00 0.00 179.45 178.71 3gdk h GLU 43 N -0.34 1.12 0.03 1.90 4.81 -1.93 -2.44 114.58 117.73 3gdk h GLU 43 Ca 0.05 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3gdk h GLU 43 Cb 0.40 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3gdk h GLU 43 CO -0.15 0.91 -0.12 1.25 -0.73 0.00 0.00 179.01 180.16 3gdk h LEU 44 N 1.08 -0.35 -1.54 1.64 5.85 -0.77 -1.27 115.31 119.94 3gdk h LEU 44 Ca 0.25 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3gdk h LEU 44 Cb 0.20 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3gdk h LEU 44 CO -0.02 -0.18 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.66 3gdk h LEU 45 N -0.23 0.07 -0.10 2.25 3.38 -0.78 -0.62 115.31 119.29 3gdk h LEU 45 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3gdk h LEU 45 Cb 0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gdk h LEU 45 CO -0.10 0.26 -0.09 -0.33 0.09 0.00 0.00 178.44 178.27 3gdk h GLU 46 N 0.07 0.24 -0.50 1.13 5.08 -1.04 -2.17 114.58 117.40 3gdk h GLU 46 Ca 0.01 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3gdk h GLU 46 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3gdk h GLU 46 CO 0.02 0.64 0.20 -0.07 -1.00 0.00 0.00 179.01 178.81 3gdk h LEU 47 N -0.16 0.69 -0.72 1.33 3.38 -0.96 -2.11 115.31 116.76 3gdk h LEU 47 Ca 0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gdk h LEU 47 Cb 0.59 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3gdk h LEU 47 CO 0.02 0.67 0.44 0.58 0.09 0.00 0.00 178.44 180.24 3gdk h VAL 48 N 0.67 1.20 -0.39 1.22 2.07 -1.14 -0.01 116.25 119.87 3gdk h VAL 48 Ca 0.17 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3gdk h VAL 48 Cb 0.19 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3gdk h VAL 48 CO -0.01 0.21 0.20 -0.08 0.02 0.00 0.00 177.57 177.90 3gdk h GLU 49 N 0.98 0.39 -0.28 1.57 4.57 -1.16 0.40 114.58 121.05 3gdk h GLU 49 Ca 0.26 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.31 3gdk h GLU 49 Cb -0.04 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3gdk h GLU 49 CO -0.05 0.26 -0.28 0.00 -1.18 0.00 0.00 179.01 177.76 3gdk h ALA 50 N 1.20 1.00 0.00 2.92 0.00 -0.92 -3.21 119.26 120.26 3gdk h ALA 50 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gdk h ALA 50 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gdk h ALA 50 CO -0.11 0.59 -0.87 1.28 0.00 0.00 0.00 179.25 180.14 3gdk n LEU 51 N -4.10 0.69 -0.37 0.00 4.77 -0.06 -4.39 117.00 113.54 3gdk n LEU 51 Ca -0.00 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 3gdk n LEU 51 Cb 0.43 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3gdk n LEU 51 CO 0.43 -0.06 0.56 0.61 -1.33 0.00 0.00 177.39 177.61 3gdk n GLY 52 N 1.31 -1.99 0.14 -0.72 0.00 0.14 -0.56 105.19 103.51 3gdk n GLY 52 Ca 0.02 1.08 0.12 0.00 0.00 0.00 0.00 46.02 47.24 3gdk n GLY 52 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gdk n PRO 53 N -5.42 0.20 0.00 1.61 -0.02 -1.26 -3.34 135.00 126.77 3gdk n PRO 53 Ca 0.10 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 3gdk n PRO 53 Cb 0.39 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 3gdk n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gdk n LYS 54 N -2.28 0.20 -4.34 -0.52 4.76 0.28 -5.01 118.16 111.26 3gdk n LYS 54 Ca 0.02 -0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.17 3gdk n LYS 54 Cb 0.21 -1.52 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 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 -3.15 3.16 -0.29 -0.18 -4.36 -1.04 -4.59 121.20 110.75 3gdk s ILE 55 Ca 0.04 -1.98 0.14 0.00 -0.26 0.00 0.00 60.65 58.58 3gdk s ILE 55 Cb 0.15 -2.66 -0.19 0.00 1.25 0.00 0.00 42.46 41.02 3gdk s ILE 55 CO 0.86 -0.33 0.43 0.00 0.24 0.00 0.00 174.94 176.13 3gdk s LEU 57 N -3.41 0.03 -0.18 0.00 2.96 -1.23 -2.57 118.68 114.28 3gdk s LEU 57 Ca -0.01 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 3gdk s LEU 57 Cb 0.10 1.80 0.02 0.00 0.50 0.00 0.00 46.19 48.60 3gdk s LEU 57 CO 0.58 -0.23 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.98 3gdk s LEU 58 N 0.07 2.22 -0.32 -0.68 2.96 -0.26 -1.80 118.68 120.86 3gdk s LEU 58 Ca -0.02 -0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 3gdk s LEU 58 Cb -0.04 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3gdk s LEU 58 CO 0.02 0.00 0.27 -0.75 -1.32 0.00 0.00 176.35 174.57 3gdk s LYS 59 N 1.28 3.68 0.48 1.98 2.20 0.81 -0.59 119.74 129.58 3gdk s LYS 59 Ca 0.04 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 3gdk s LYS 59 Cb -0.13 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 3gdk s LYS 59 CO -0.11 -0.38 0.70 0.95 -0.36 0.00 0.00 175.35 176.15 3gdk s THR 60 N 1.85 3.54 -0.40 3.43 -4.23 -0.08 -1.59 115.64 118.15 3gdk s THR 60 Ca 0.09 -0.58 0.08 0.00 -1.18 0.00 0.00 61.69 60.10 3gdk s THR 60 Cb -0.17 -3.31 0.25 0.00 1.34 0.00 0.00 72.50 70.61 3gdk s THR 60 CO 0.11 -0.21 0.56 1.41 -0.54 0.00 0.00 174.62 175.95 3gdk n HIS 61 N -2.15 -0.76 0.19 3.99 -0.00 -1.26 -0.89 115.22 114.34 3gdk n HIS 61 Ca 0.04 -3.33 0.11 0.00 -0.00 0.00 0.00 57.72 54.54 3gdk n HIS 61 Cb 0.58 -0.10 0.65 0.00 -0.00 0.00 0.00 29.99 31.12 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 2.18 0.93 -0.06 1.59 -1.51 -1.95 -2.45 116.25 114.98 3gdk h VAL 62 Ca 0.05 -0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.53 3gdk h VAL 62 Cb 0.90 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3gdk h VAL 62 CO 0.44 0.00 0.07 0.44 -1.23 0.00 0.00 177.57 177.30 3gdk h ASP 63 N 0.01 0.00 -0.00 4.19 3.32 -1.98 -2.26 116.42 119.70 3gdk h ASP 63 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3gdk h ASP 63 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3gdk h ASP 63 CO -0.00 0.00 -0.29 2.30 -1.72 0.00 0.00 179.24 179.53 3gdk n ILE 64 N -3.79 0.00 -2.28 0.35 -5.35 -0.92 -4.93 119.36 102.43 3gdk n ILE 64 Ca -0.01 -0.33 -0.41 0.00 -0.27 0.00 0.00 62.75 61.72 3gdk n ILE 64 Cb 0.17 1.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 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 -2.31 4.43 0.00 7.28 1.43 -0.85 -4.51 118.68 124.15 3gdk s LEU 65 Ca 0.23 2.35 0.27 0.00 -1.03 0.00 0.00 54.13 55.94 3gdk s LEU 65 Cb 0.19 -3.61 0.82 0.00 0.03 0.00 0.00 46.19 43.62 3gdk s LEU 65 CO 0.47 -0.46 1.61 0.35 0.23 0.00 0.00 176.35 178.55 3gdk n THR 66 N 2.45 0.00 -2.76 5.49 -2.24 0.14 -4.30 114.28 113.06 3gdk n THR 66 Ca 0.05 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 3gdk n THR 66 Cb 0.43 0.28 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 3gdk n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdk n ASP 67 N -0.80 1.05 -4.76 3.42 5.68 -1.26 -5.09 116.55 114.79 3gdk n ASP 67 Ca 0.12 -2.29 -0.41 0.00 -0.50 0.00 0.00 54.79 51.71 3gdk n ASP 67 Cb 0.33 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 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 -3.00 3.09 -0.15 2.11 5.36 -1.26 -4.75 117.98 119.38 3gdk s PHE 68 Ca 0.25 1.30 -0.17 0.00 -0.96 0.00 0.00 56.93 57.36 3gdk s PHE 68 Cb 0.38 -3.69 0.04 0.00 -0.34 0.00 0.00 43.02 39.42 3gdk s PHE 68 CO -0.03 -2.01 0.45 -1.12 -1.46 0.00 0.00 175.22 171.06 3gdk s SER 69 N -0.17 -0.45 0.19 6.13 0.01 -1.26 -4.98 113.70 113.16 3gdk s SER 69 Ca 0.52 0.82 -0.10 0.00 1.31 0.00 0.00 55.95 58.50 3gdk s SER 69 Cb -0.39 0.85 0.11 0.00 0.21 0.00 0.00 66.02 66.79 3gdk s SER 69 CO 0.48 -0.21 1.76 0.24 0.41 0.00 0.00 173.24 175.92 3gdk h MET 70 N 5.14 1.00 -0.05 12.44 2.86 -1.95 0.48 114.93 134.84 3gdk h MET 70 Ca -0.27 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 3gdk h MET 70 Cb 1.18 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 3gdk h MET 70 CO 0.25 0.82 -0.02 0.93 1.06 0.00 0.00 176.91 179.95 3gdk h GLU 71 N 0.95 0.10 0.00 1.72 4.39 -1.97 -1.10 114.58 118.68 3gdk h GLU 71 Ca 0.23 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.70 3gdk h GLU 71 Cb 0.18 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3gdk h GLU 71 CO -0.02 0.47 -1.13 0.78 -1.16 0.00 0.00 179.01 177.95 3gdk h GLY 72 N -0.27 0.00 0.00 -3.84 0.00 -1.93 -3.38 103.07 93.65 3gdk h GLY 72 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gdk h GLY 72 CO 0.01 0.00 -0.81 2.41 0.00 0.00 0.00 176.54 178.15 3gdk n THR 73 N -3.12 1.30 -0.03 4.70 -1.04 0.17 -4.57 114.28 111.69 3gdk n THR 73 Ca -0.06 0.20 -0.12 0.00 -2.04 0.00 0.00 64.05 62.04 3gdk n THR 73 Cb 0.88 -2.19 -0.06 0.00 -1.82 0.00 0.00 70.33 67.13 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 -0.81 1.20 -0.20 12.58 2.07 -1.28 -2.66 116.25 127.15 3gdk h VAL 74 Ca 0.00 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 66.96 3gdk h VAL 74 Cb 0.81 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3gdk h VAL 74 CO 0.00 0.18 -0.21 0.50 0.02 0.00 0.00 177.57 178.05 3gdk h LYS 75 N -0.03 -0.23 -0.48 1.57 3.64 -1.37 -0.72 116.57 118.94 3gdk h LYS 75 Ca 0.03 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3gdk h LYS 75 Cb 0.25 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3gdk h LYS 75 CO 0.00 -0.15 0.13 -1.35 -2.27 0.00 0.00 179.45 175.81 3gdk h PRO 76 N -0.24 0.72 -0.56 1.90 0.11 -1.77 -2.11 132.00 130.05 3gdk h PRO 76 Ca 0.12 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3gdk h PRO 76 Cb 0.42 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 3gdk h PRO 76 CO -0.34 0.64 0.29 1.25 -0.21 0.00 0.00 178.00 179.63 3gdk h LEU 77 N 0.70 0.72 -0.79 2.35 5.85 -1.00 -0.53 115.31 122.62 3gdk h LEU 77 Ca 0.16 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3gdk h LEU 77 Cb 0.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3gdk h LEU 77 CO -0.01 0.63 -0.04 0.11 -0.34 0.00 0.00 178.44 178.80 3gdk h LYS 78 N 0.76 0.87 -0.44 1.25 1.79 -0.86 0.03 116.57 119.97 3gdk h LYS 78 Ca 0.20 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3gdk h LYS 78 Cb 0.09 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3gdk h LYS 78 CO -0.03 0.90 0.17 0.00 -1.08 0.00 0.00 179.45 179.40 3gdk h ALA 79 N 1.15 0.58 -0.72 3.86 0.00 -0.93 -0.24 119.26 122.96 3gdk h ALA 79 Ca 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3gdk h ALA 79 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3gdk h ALA 79 CO 0.03 0.20 0.19 -0.07 0.00 0.00 0.00 179.25 179.60 3gdk h LEU 80 N 0.58 1.07 -0.89 0.00 3.38 -0.86 0.13 115.31 118.72 3gdk h LEU 80 Ca 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gdk h LEU 80 Cb 0.21 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gdk h LEU 80 CO -0.01 1.02 0.57 -1.28 0.09 0.00 0.00 178.44 178.83 3gdk h SER 81 N 1.08 1.04 -0.00 -0.43 0.87 -0.57 0.32 113.55 115.86 3gdk h SER 81 Ca 0.23 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.59 3gdk h SER 81 Cb 0.35 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3gdk h SER 81 CO -0.00 0.77 -0.61 0.00 -0.53 0.00 0.00 176.83 176.46 3gdk h ALA 82 N 1.31 0.08 -0.25 6.23 0.00 -0.70 -1.30 119.26 124.63 3gdk h ALA 82 Ca 0.32 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gdk h ALA 82 Cb -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gdk h ALA 82 CO -0.07 0.36 0.14 -0.22 0.00 0.00 0.00 179.25 179.47 3gdk h LYS 83 N -0.09 0.34 -0.00 0.00 3.64 -0.54 -3.21 116.57 116.70 3gdk h LYS 83 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3gdk h LYS 83 Cb 1.32 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3gdk h LYS 83 CO 0.12 0.28 -0.54 0.66 -2.27 0.00 0.00 179.45 177.71 3gdk n TYR 84 N -4.87 0.00 -2.69 1.91 4.01 0.08 -5.03 117.16 110.58 3gdk n TYR 84 Ca -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.67 3gdk n TYR 84 Cb 0.06 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.03 -6.94 -3.63 7.72 5.15 -0.53 -4.69 115.26 111.32 3gdk n ASN 85 Ca 0.08 0.27 -0.12 0.00 -0.60 0.00 0.00 54.58 54.20 3gdk n ASN 85 Cb 0.36 -4.65 -0.06 0.00 -0.53 0.00 0.00 39.78 34.90 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 -2.57 -0.30 0.41 1.20 -0.12 -0.97 -4.83 117.98 110.80 3gdk s PHE 86 Ca 0.14 0.22 0.03 0.00 -0.05 0.00 0.00 56.93 57.26 3gdk s PHE 86 Cb -0.04 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 3gdk s PHE 86 CO 0.64 -0.62 0.60 -0.51 -0.05 0.00 0.00 175.22 175.27 3gdk s LEU 87 N -2.18 3.77 -0.13 -1.99 1.43 -1.06 -4.68 118.68 113.84 3gdk s LEU 87 Ca -0.03 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3gdk s LEU 87 Cb -0.00 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 3gdk s LEU 87 CO -0.04 -0.60 -0.02 -0.76 0.23 0.00 0.00 176.35 175.16 3gdk s LEU 88 N -4.41 3.40 -0.21 1.79 1.43 -1.26 -1.11 118.68 118.31 3gdk s LEU 88 Ca 0.47 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3gdk s LEU 88 Cb -0.10 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.38 3gdk s LEU 88 CO 0.35 0.25 -0.01 0.12 0.23 0.00 0.00 176.35 177.29 3gdk s PHE 89 N -0.10 1.73 0.03 0.29 5.36 0.24 -1.02 117.98 124.50 3gdk s PHE 89 Ca 0.03 -1.31 -0.24 0.00 -0.96 0.00 0.00 56.93 54.45 3gdk s PHE 89 Cb -0.13 -1.31 -0.05 0.00 -0.34 0.00 0.00 43.02 41.19 3gdk s PHE 89 CO 0.02 -0.69 0.74 -2.00 -1.46 0.00 0.00 175.22 171.83 3gdk s GLU 90 N 1.62 4.47 0.32 10.12 2.56 -0.82 -0.91 118.70 136.07 3gdk s GLU 90 Ca -0.03 1.01 0.05 0.00 0.00 0.00 0.00 54.97 56.00 3gdk s GLU 90 Cb -0.18 -3.37 0.56 0.00 2.00 0.00 0.00 34.13 33.14 3gdk s GLU 90 CO -0.07 0.27 1.82 0.22 -0.56 0.00 0.00 175.26 176.94 3gdk h ASP 91 N 5.75 0.43 -0.09 -1.70 3.58 -1.36 -3.38 116.42 119.65 3gdk h ASP 91 Ca -0.44 -0.11 -0.27 0.00 0.42 0.00 0.00 57.03 56.63 3gdk h ASP 91 Cb 1.20 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 3gdk h ASP 91 CO 0.71 0.60 0.39 -1.14 -2.88 0.00 0.00 179.24 176.91 3gdk n ARG 92 N -4.21 0.00 -2.91 0.28 3.00 -1.26 -4.76 116.66 106.81 3gdk n ARG 92 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.42 3gdk n ARG 92 Cb 0.32 -0.50 -0.01 0.00 0.00 0.00 0.00 32.46 32.26 3gdk n ARG 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3gdk s LYS 93 N 1.75 3.87 0.32 -0.14 1.02 -1.26 -4.30 119.74 120.98 3gdk s LYS 93 Ca 0.39 -2.16 -0.28 0.00 0.02 0.00 0.00 55.97 53.93 3gdk s LYS 93 Cb -0.50 -5.04 -0.13 0.00 -0.52 0.00 0.00 37.83 31.64 3gdk s LYS 93 CO 0.24 -1.81 1.21 1.19 -0.92 0.00 0.00 175.35 175.26 3gdk n PHE 94 N 6.27 1.96 -2.75 3.18 3.72 -1.12 -4.73 117.46 123.99 3gdk n PHE 94 Ca 0.32 0.59 -0.09 0.00 -0.05 0.00 0.00 57.45 58.22 3gdk n PHE 94 Cb 0.46 -2.37 0.07 0.00 -0.94 0.00 0.00 39.48 36.70 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 0.42 1.67 -3.54 4.37 0.00 -1.26 -1.36 120.51 120.81 3gdk n ALA 95 Ca 0.07 -2.14 -0.03 0.00 0.00 0.00 0.00 53.44 51.33 3gdk n ALA 95 Cb 0.34 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.17 -1.24 -3.18 0.00 -0.08 -1.26 -4.94 116.55 105.68 3gdk n ASP 96 Ca 0.06 -2.05 -0.19 0.00 -1.51 0.00 0.00 54.79 51.09 3gdk n ASP 96 Cb 0.79 2.12 -0.07 0.00 2.34 0.00 0.00 41.12 46.30 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 -0.34 0.00 -3.34 5.18 -5.35 -1.26 -4.28 119.36 109.96 3gdk n ILE 97 Ca -0.04 -2.12 0.00 0.00 -0.27 0.00 0.00 62.75 60.33 3gdk n ILE 97 Cb 0.37 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.52 0.95 0.36 3.28 0.00 -1.26 -2.47 105.19 105.53 3gdk n GLY 98 Ca 0.02 -0.64 0.18 0.00 0.00 0.00 0.00 46.02 45.59 3gdk n GLY 98 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gdk h ASN 99 N 5.06 0.00 0.50 1.61 -0.73 -1.98 -1.09 115.58 118.95 3gdk h ASN 99 Ca 0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 3gdk h ASN 99 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 3gdk h ASN 99 CO 0.00 0.00 -0.24 0.74 -0.37 0.00 0.00 177.43 177.56 3gdk h THR 100 N 0.00 0.39 -0.05 -3.57 2.02 -1.96 -1.37 112.91 108.37 3gdk h THR 100 Ca 0.19 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 3gdk h THR 100 Cb 0.83 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3gdk h THR 100 CO -0.00 0.05 -0.27 1.62 0.37 0.00 0.00 175.52 177.29 3gdk h VAL 101 N -0.95 1.22 -0.53 3.16 3.04 -1.14 -0.74 116.25 120.31 3gdk h VAL 101 Ca -0.07 -1.04 -0.07 0.00 -1.01 0.00 0.00 66.70 64.52 3gdk h VAL 101 Cb 0.60 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 3gdk h VAL 101 CO 0.11 0.30 0.08 0.11 -1.01 0.00 0.00 177.57 177.16 3gdk h LYS 102 N 0.08 0.89 0.00 4.17 1.57 -1.17 -1.97 116.57 120.15 3gdk h LYS 102 Ca 0.01 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 3gdk h LYS 102 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3gdk h LYS 102 CO 0.04 0.87 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.50 3gdk h LEU 103 N 0.77 0.00 -0.68 2.94 3.38 -0.86 0.75 115.31 121.62 3gdk h LEU 103 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3gdk h LEU 103 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3gdk h LEU 103 CO 0.01 0.22 -0.61 1.56 0.09 0.00 0.00 178.44 179.71 3gdk h GLN 104 N 0.00 0.00 0.12 1.13 4.20 -0.91 -0.35 115.11 119.31 3gdk h GLN 104 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 3gdk h GLN 104 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3gdk h GLN 104 CO 0.03 0.61 -1.76 -0.92 -0.67 0.00 0.00 178.83 176.12 3gdk h TYR 105 N 0.00 0.48 0.06 2.96 3.20 -1.18 -3.41 116.97 119.07 3gdk h TYR 105 Ca -0.01 -0.35 -0.35 0.00 3.14 0.00 0.00 58.73 61.16 3gdk h TYR 105 Cb 1.15 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 3gdk h TYR 105 CO 0.00 1.54 -2.04 -1.13 -1.64 0.00 0.00 178.16 174.89 3gdk n SER 106 N -3.45 1.55 0.00 -2.11 3.41 0.24 -0.29 113.62 112.98 3gdk n SER 106 Ca -0.23 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3gdk n SER 106 Cb 1.05 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.90 0.00 -0.38 7.33 0.00 -0.14 -4.36 120.51 120.06 3gdk n ALA 107 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3gdk n ALA 107 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.33 0.13 0.00 0.00 -1.26 -1.46 105.19 106.28 3gdk n GLY 108 Ca 0.00 -1.22 0.05 0.00 0.00 0.00 0.00 46.02 44.85 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 0.44 0.00 1.61 -1.51 -1.97 -3.35 116.25 111.48 3gdk h VAL 109 Ca 0.00 -1.73 -0.20 0.00 -1.23 0.00 0.00 66.70 63.53 3gdk h VAL 109 Cb 0.00 2.04 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 3gdk h VAL 109 CO 0.00 0.25 -0.97 1.88 -1.23 0.00 0.00 177.57 177.51 3gdk h TYR 110 N 0.00 0.00 -6.96 5.19 0.05 -1.96 -3.46 116.97 109.83 3gdk h TYR 110 Ca -0.06 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.13 3gdk h TYR 110 Cb 1.33 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.88 3gdk h TYR 110 CO 0.00 0.97 -0.94 0.54 -1.05 0.00 0.00 178.16 177.68 3gdk n ARG 111 N -3.36 -1.51 -0.30 4.88 1.74 -0.53 -4.80 116.66 112.77 3gdk n ARG 111 Ca 0.00 0.17 0.05 0.00 -0.77 0.00 0.00 57.85 57.30 3gdk n ARG 111 Cb 0.92 -3.96 0.14 0.00 -1.02 0.00 0.00 32.46 28.54 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 -1.70 0.16 -0.18 0.55 2.04 -1.74 -1.01 117.51 115.64 3gdk h ILE 112 Ca -0.64 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3gdk h ILE 112 Cb 1.39 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3gdk h ILE 112 CO 0.71 0.00 0.23 0.00 0.00 0.00 0.00 178.15 179.10 3gdk h ALA 113 N 1.85 1.74 0.00 1.87 0.00 -0.93 -0.59 119.26 123.19 3gdk h ALA 113 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gdk h ALA 113 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3gdk h ALA 113 CO -0.86 -0.33 0.00 0.93 0.00 0.00 0.00 179.25 179.00 3gdk h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.44 -3.39 114.58 114.83 3gdk h GLU 114 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3gdk h GLU 114 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gdk h GLU 114 CO -0.00 0.00 -0.15 -2.67 -1.00 0.00 0.00 179.01 175.19 3gdk n TRP 115 N -2.88 0.00 -2.78 4.33 4.27 -0.59 -5.05 117.44 114.75 3gdk n TRP 115 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 3gdk n TRP 115 Cb 0.33 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.25 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 -0.41 3.25 0.26 -1.67 0.00 -0.33 -4.78 121.76 118.07 3gdk s ALA 116 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 3gdk s ALA 116 Cb 0.00 -3.67 0.31 0.00 0.00 0.00 0.00 23.12 19.76 3gdk s ALA 116 CO 0.00 -2.01 1.92 -0.44 0.00 0.00 0.00 175.76 175.23 3gdk h ASP 117 N 9.00 1.12 -4.24 0.00 3.32 -1.49 -3.43 116.42 120.70 3gdk h ASP 117 Ca -0.24 -0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.33 3gdk h ASP 117 Cb 1.07 -0.27 -0.27 0.00 0.22 0.00 0.00 39.33 40.08 3gdk h ASP 117 CO 1.04 0.79 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.92 3gdk s ILE 118 N -6.09 1.06 0.26 0.35 1.01 -0.19 -0.81 121.20 116.79 3gdk s ILE 118 Ca -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3gdk s ILE 118 Cb 0.18 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3gdk s ILE 118 CO 0.82 0.17 0.12 0.42 0.00 0.00 0.00 174.94 176.47 3gdk s THR 119 N -0.54 0.35 0.06 2.92 -4.23 -0.88 -1.94 115.64 111.38 3gdk s THR 119 Ca 0.04 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3gdk s THR 119 Cb -0.06 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 3gdk s THR 119 CO 0.00 0.00 -0.06 0.54 -0.54 0.00 0.00 174.62 174.56 3gdk s ASN 120 N -3.29 0.82 0.03 3.99 2.20 -1.26 -0.56 114.94 116.87 3gdk s ASN 120 Ca 0.38 -0.72 -0.03 0.00 -0.94 0.00 0.00 52.86 51.55 3gdk s ASN 120 Cb 0.07 0.08 -0.02 0.00 -2.00 0.00 0.00 41.25 39.38 3gdk s ASN 120 CO 0.14 -0.33 0.03 0.00 -2.94 0.00 0.00 177.10 174.01 3gdk s ALA 121 N -2.27 0.07 0.20 3.54 0.00 -0.16 -2.78 121.76 120.36 3gdk s ALA 121 Ca -0.03 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 3gdk s ALA 121 Cb -0.04 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 3gdk s ALA 121 CO -0.02 -0.26 0.92 -1.01 0.00 0.00 0.00 175.76 175.39 3gdk s HIS 122 N -2.28 3.94 -0.37 0.00 3.76 -0.46 -0.70 115.29 119.17 3gdk s HIS 122 Ca -0.08 1.85 0.22 0.00 -0.15 0.00 0.00 55.06 56.90 3gdk s HIS 122 Cb -0.04 -2.97 0.23 0.00 1.11 0.00 0.00 32.58 30.92 3gdk s HIS 122 CO -0.03 0.41 1.45 0.78 -0.85 0.00 0.00 174.74 176.50 3gdk h GLY 123 N 4.51 0.00 -0.81 -2.22 0.00 -1.90 -3.37 103.07 99.28 3gdk h GLY 123 Ca -0.45 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.27 3gdk h GLY 123 CO 0.69 0.00 0.82 -0.24 0.00 0.00 0.00 176.54 177.81 3gdk h VAL 124 N 0.00 0.25 0.00 4.60 3.04 -1.94 0.25 116.25 122.45 3gdk h VAL 124 Ca -0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3gdk h VAL 124 Cb 1.04 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 3gdk h VAL 124 CO 0.01 0.03 0.00 1.33 -1.01 0.00 0.00 177.57 177.93 3gdk n VAL 125 N -4.61 0.29 0.00 1.51 0.24 -1.26 -5.03 118.33 109.47 3gdk n VAL 125 Ca 0.33 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.70 3gdk n VAL 125 Cb 1.28 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 1.01 0.93 0.20 7.63 0.00 0.87 -4.57 105.19 111.25 3gdk n GLY 126 Ca 0.07 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.20 3gdk n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdk h PRO 127 N 0.00 0.00 -0.17 1.61 0.13 -1.93 -2.37 132.00 129.28 3gdk h PRO 127 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3gdk h PRO 127 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3gdk h PRO 127 CO 0.00 0.00 0.13 0.78 -0.23 0.00 0.00 178.00 178.68 3gdk h GLY 128 N 0.00 0.00 1.69 1.56 0.00 -1.95 -0.59 103.07 103.78 3gdk h GLY 128 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3gdk h GLY 128 CO 0.00 0.00 -0.38 1.19 0.00 0.00 0.00 176.54 177.35 3gdk h ILE 129 N 0.00 1.30 0.27 2.60 2.10 -1.60 -1.56 117.51 120.61 3gdk h ILE 129 Ca 0.08 -1.48 -0.01 0.00 1.08 0.00 0.00 64.86 64.52 3gdk h ILE 129 Cb 0.33 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 3gdk h ILE 129 CO -0.00 0.45 -0.13 0.58 -1.08 0.00 0.00 178.15 177.97 3gdk h VAL 130 N 0.29 0.66 -0.63 2.19 2.07 -1.33 -2.01 116.25 117.48 3gdk h VAL 130 Ca 0.03 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3gdk h VAL 130 Cb 0.81 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3gdk h VAL 130 CO 0.06 0.14 0.42 0.77 0.02 0.00 0.00 177.57 178.99 3gdk h SER 131 N -0.87 0.72 0.04 0.57 4.64 -1.45 -0.16 113.55 117.04 3gdk h SER 131 Ca -0.04 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3gdk h SER 131 Cb 0.51 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3gdk h SER 131 CO 0.06 0.52 -0.02 1.23 -0.87 0.00 0.00 176.83 177.75 3gdk h GLY 132 N 0.85 -0.06 1.27 -0.77 0.00 -1.31 -1.96 103.07 101.08 3gdk h GLY 132 Ca 0.23 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3gdk h GLY 132 CO -0.05 -0.02 0.08 1.41 0.00 0.00 0.00 176.54 177.95 3gdk h LEU 133 N -0.45 0.86 -0.28 3.11 3.38 -1.21 -2.25 115.31 118.47 3gdk h LEU 133 Ca -0.01 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3gdk h LEU 133 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3gdk h LEU 133 CO 0.01 0.87 0.10 0.50 0.09 0.00 0.00 178.44 180.01 3gdk h LYS 134 N 0.85 0.22 -0.20 1.13 3.64 -0.98 -1.03 116.57 120.20 3gdk h LYS 134 Ca 0.17 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3gdk h LYS 134 Cb 0.39 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3gdk h LYS 134 CO 0.01 0.14 -0.30 0.37 -2.27 0.00 0.00 179.45 177.40 3gdk h GLN 135 N 0.22 0.39 -0.39 1.90 4.15 -1.19 -2.65 115.11 117.55 3gdk h GLN 135 Ca 0.13 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 3gdk h GLN 135 Cb 0.09 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3gdk h GLN 135 CO -0.13 0.66 -0.02 0.00 -1.93 0.00 0.00 178.83 177.40 3gdk h ALA 136 N 1.34 0.52 -0.61 3.38 0.00 -0.98 -2.05 119.26 120.86 3gdk h ALA 136 Ca 0.05 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gdk h ALA 136 Cb 0.70 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3gdk h ALA 136 CO 0.05 0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.96 3gdk h ALA 137 N 0.87 0.80 -0.56 0.00 0.00 -1.05 0.11 119.26 119.43 3gdk h ALA 137 Ca 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3gdk h ALA 137 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3gdk h ALA 137 CO 0.02 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.23 3gdk h GLU 138 N 0.64 0.98 -0.11 0.00 5.08 -1.36 -2.35 114.58 117.47 3gdk h GLU 138 Ca 0.27 -0.31 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 3gdk h GLU 138 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3gdk h GLU 138 CO -0.16 0.98 -0.54 0.93 -1.00 0.00 0.00 179.01 179.23 3gdk h GLU 139 N 0.87 0.31 0.00 2.33 5.08 -0.96 -3.35 114.58 118.85 3gdk h GLU 139 Ca 0.16 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3gdk h GLU 139 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3gdk h GLU 139 CO 0.03 0.77 -0.13 0.28 -1.00 0.00 0.00 179.01 178.95 3gdk h VAL 140 N 0.24 1.61 -3.86 3.13 2.07 -0.63 -3.49 116.25 115.32 3gdk h VAL 140 Ca 0.00 -1.96 -0.10 0.00 0.82 0.00 0.00 66.70 65.47 3gdk h VAL 140 Cb 1.02 2.90 -0.15 0.00 -1.52 0.00 0.00 31.29 33.54 3gdk h VAL 140 CO 0.09 0.52 -0.45 0.28 0.02 0.00 0.00 177.57 178.03 3gdk s THR 141 N -2.99 0.15 0.04 2.57 -1.32 -0.90 -4.99 115.64 108.20 3gdk s THR 141 Ca -0.17 -1.25 0.12 0.00 -1.21 0.00 0.00 61.69 59.18 3gdk s THR 141 Cb -0.00 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.69 3gdk s THR 141 CO 0.71 -0.69 1.46 0.07 -2.21 0.00 0.00 174.62 173.96 3gdk h LYS 142 N 3.01 0.00 -6.97 7.08 2.10 -1.86 -3.42 116.57 116.52 3gdk h LYS 142 Ca -0.34 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.77 3gdk h LYS 142 Cb 1.19 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.64 3gdk h LYS 142 CO 0.56 0.66 0.70 0.39 -2.00 0.00 0.00 179.45 179.77 3gdk n GLU 143 N -3.38 2.31 -1.96 0.07 -0.58 -1.26 -4.95 120.64 110.88 3gdk n GLU 143 Ca 0.01 0.82 -0.35 0.00 -0.42 0.00 0.00 57.16 57.22 3gdk n GLU 143 Cb 0.75 -2.63 0.03 0.00 -0.57 0.00 0.00 31.44 29.03 3gdk n GLU 143 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3gdk s PRO 144 N -2.38 2.95 0.04 3.49 0.04 -1.26 -4.99 135.00 132.89 3gdk s PRO 144 Ca 0.60 1.67 0.02 0.00 0.04 0.00 0.00 61.00 63.33 3gdk s PRO 144 Cb -0.46 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 3gdk s PRO 144 CO 0.59 -1.19 -0.08 1.03 0.04 0.00 0.00 177.00 177.39 3gdk s ARG 145 N -3.53 0.54 0.10 4.56 1.81 -1.26 -4.84 118.95 116.32 3gdk s ARG 145 Ca 0.74 -0.74 0.03 0.00 -1.72 0.00 0.00 55.73 54.03 3gdk s ARG 145 Cb -0.26 -0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.86 3gdk s ARG 145 CO 0.34 0.06 -0.08 0.20 -0.68 0.00 0.00 175.30 175.14 3gdk s GLY 146 N -1.51 0.79 -0.02 -3.53 0.00 0.01 -4.79 107.32 98.27 3gdk s GLY 146 Ca -0.09 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.43 3gdk s GLY 146 CO 0.00 -1.32 -0.10 -2.27 0.00 0.00 0.00 173.10 169.42 3gdk s LEU 147 N -2.65 1.91 0.01 0.66 2.96 0.37 -2.08 118.68 119.85 3gdk s LEU 147 Ca 0.07 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 3gdk s LEU 147 Cb 0.00 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3gdk s LEU 147 CO -0.02 0.10 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.24 3gdk s LEU 148 N -0.03 2.93 -0.15 -0.68 1.43 0.27 -1.39 118.68 121.07 3gdk s LEU 148 Ca 0.00 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3gdk s LEU 148 Cb -0.06 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3gdk s LEU 148 CO 0.00 0.28 0.14 -0.04 0.23 0.00 0.00 176.35 176.96 3gdk s MET 149 N -1.34 3.72 -1.26 1.70 -1.94 -0.72 -0.99 119.30 118.48 3gdk s MET 149 Ca 0.16 -0.16 -0.19 0.00 -1.71 0.00 0.00 55.69 53.79 3gdk s MET 149 Cb -0.11 -3.28 0.05 0.00 2.01 0.00 0.00 34.83 33.50 3gdk s MET 149 CO 0.06 0.60 1.74 -0.51 -0.01 0.00 0.00 175.02 176.90 3gdk s LEU 150 N -0.51 3.72 0.11 -0.03 1.43 0.12 -1.81 118.68 121.71 3gdk s LEU 150 Ca 0.13 -2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 50.85 3gdk s LEU 150 Cb -0.12 -2.58 -0.13 0.00 0.03 0.00 0.00 46.19 43.40 3gdk s LEU 150 CO 0.02 -1.43 1.33 0.00 0.23 0.00 0.00 176.35 176.49 3gdk h ALA 151 N 8.03 0.35 -3.25 4.21 0.00 -1.79 -3.42 119.26 123.39 3gdk h ALA 151 Ca 0.40 -0.60 -0.44 0.00 0.00 0.00 0.00 54.91 54.27 3gdk h ALA 151 Cb 0.89 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.28 3gdk h ALA 151 CO 1.43 0.69 -0.77 -1.21 0.00 0.00 0.00 179.25 179.40 3gdk s GLU 152 N -3.75 0.60 0.31 0.00 2.02 -1.04 -4.29 118.70 112.54 3gdk s GLU 152 Ca -0.10 0.07 -0.05 0.00 0.02 0.00 0.00 54.97 54.91 3gdk s GLU 152 Cb 0.09 -1.07 -0.05 0.00 0.10 0.00 0.00 34.13 33.20 3gdk s GLU 152 CO 0.90 -0.34 0.57 -0.51 0.02 0.00 0.00 175.26 175.90 3gdk s LEU 153 N 1.97 4.03 -0.01 1.80 1.43 -1.26 -4.37 118.68 122.27 3gdk s LEU 153 Ca 0.04 0.71 0.14 0.00 -1.03 0.00 0.00 54.13 54.00 3gdk s LEU 153 Cb -0.13 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.37 3gdk s LEU 153 CO -0.05 -0.23 0.47 -1.20 0.23 0.00 0.00 176.35 175.57 3gdk n SER 154 N -1.08 1.12 -4.74 2.29 7.64 -1.26 -4.94 113.62 112.65 3gdk n SER 154 Ca -0.02 -0.46 -0.35 0.00 1.01 0.00 0.00 58.87 59.05 3gdk n SER 154 Cb 0.54 1.29 0.07 0.00 -1.01 0.00 0.00 64.21 65.10 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 -2.17 2.79 -1.61 0.00 4.81 -1.26 -2.61 118.16 118.12 3gdk n LYS 156 Ca 0.14 1.01 -0.12 0.00 -0.87 0.00 0.00 58.31 58.47 3gdk n LYS 156 Cb 0.50 -2.88 -0.04 0.00 0.02 0.00 0.00 35.03 32.63 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 4.08 0.89 3.72 3.14 0.00 -1.26 -5.00 105.19 110.75 3gdk n GLY 157 Ca 0.17 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3gdk n GLY 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdk s SER 158 N -2.75 3.63 -0.28 1.61 1.04 -1.07 -4.94 113.70 110.94 3gdk s SER 158 Ca 0.00 1.97 0.12 0.00 0.48 0.00 0.00 55.95 58.52 3gdk s SER 158 Cb 0.00 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.21 3gdk s SER 158 CO 0.00 -2.61 1.60 0.18 0.98 0.00 0.00 173.24 173.39 3gdk n LEU 159 N -3.91 4.91 -3.12 2.42 4.77 -1.26 -4.77 117.00 116.04 3gdk n LEU 159 Ca 0.10 -3.32 -0.34 0.00 -0.03 0.00 0.00 56.01 52.42 3gdk n LEU 159 Cb 0.53 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3gdk n LEU 159 CO 0.52 0.90 3.10 0.00 -1.33 0.00 0.00 177.39 180.58 3gdk n ALA 160 N -0.58 7.23 -0.84 -1.18 0.00 -1.26 -4.75 120.51 119.13 3gdk n ALA 160 Ca 0.34 -3.20 -0.30 0.00 0.00 0.00 0.00 53.44 50.28 3gdk n ALA 160 Cb 1.15 -3.21 0.25 0.00 0.00 0.00 0.00 19.45 17.64 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 2.09 1.56 0.29 0.00 -4.23 -1.26 -4.59 115.64 109.50 3gdk s THR 161 Ca 0.68 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.19 3gdk s THR 161 Cb 0.19 -2.33 0.28 0.00 1.34 0.00 0.00 72.50 71.98 3gdk s THR 161 CO -0.05 0.00 1.87 1.23 -0.54 0.00 0.00 174.62 177.13 3gdk h GLY 162 N -2.77 1.48 1.15 3.99 0.00 -1.97 0.71 103.07 105.66 3gdk h GLY 162 Ca -0.47 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.24 3gdk h GLY 162 CO 0.36 0.25 -0.58 0.83 0.00 0.00 0.00 176.54 177.40 3gdk h GLU 163 N 1.03 0.88 -0.62 4.80 4.39 -1.96 -1.16 114.58 121.94 3gdk h GLU 163 Ca 0.44 -0.58 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3gdk h GLU 163 Cb 0.33 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3gdk h GLU 163 CO -0.20 1.21 0.15 -0.92 -1.16 0.00 0.00 179.01 178.09 3gdk h TYR 164 N 0.66 1.05 -0.40 4.33 3.20 -1.71 -0.62 116.97 123.48 3gdk h TYR 164 Ca 0.01 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 3gdk h TYR 164 Cb 1.19 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3gdk h TYR 164 CO 0.08 0.88 0.17 1.15 -1.64 0.00 0.00 178.16 178.79 3gdk h THR 165 N 0.91 1.19 -0.33 1.81 2.02 -0.80 -0.82 112.91 116.89 3gdk h THR 165 Ca 0.19 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3gdk h THR 165 Cb 0.36 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3gdk h THR 165 CO 0.00 0.21 0.19 0.50 0.37 0.00 0.00 175.52 176.80 3gdk h LYS 166 N 0.50 0.39 -1.00 6.66 3.64 -0.95 -0.22 116.57 125.58 3gdk h LYS 166 Ca 0.13 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3gdk h LYS 166 Cb 0.17 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 3gdk h LYS 166 CO -0.01 0.26 0.65 0.78 -2.27 0.00 0.00 179.45 178.85 3gdk h GLY 167 N 0.40 1.49 1.03 5.01 0.00 -0.84 -1.05 103.07 109.11 3gdk h GLY 167 Ca 0.13 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3gdk h GLY 167 CO -0.06 0.38 0.06 -0.84 0.00 0.00 0.00 176.54 176.09 3gdk h THR 168 N 1.22 1.26 -0.87 4.70 2.02 -0.51 -2.05 112.91 118.68 3gdk h THR 168 Ca 0.41 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 3gdk h THR 168 Cb 0.08 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3gdk h THR 168 CO -0.15 0.38 0.50 0.58 0.37 0.00 0.00 175.52 177.20 3gdk h VAL 169 N 0.86 1.25 -0.57 3.16 2.07 -0.29 -1.04 116.25 121.70 3gdk h VAL 169 Ca 0.17 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3gdk h VAL 169 Cb 0.46 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3gdk h VAL 169 CO 0.02 0.27 0.22 0.44 0.02 0.00 0.00 177.57 178.54 3gdk h ASP 170 N 1.21 0.78 -0.66 0.57 3.32 -0.98 -2.15 116.42 118.51 3gdk h ASP 170 Ca 0.31 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3gdk h ASP 170 Cb -0.00 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3gdk h ASP 170 CO -0.05 0.74 0.38 0.40 -1.72 0.00 0.00 179.24 178.99 3gdk h ILE 171 N 0.78 1.02 -1.00 0.35 2.04 -0.75 -1.91 117.51 118.04 3gdk h ILE 171 Ca 0.19 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3gdk h ILE 171 Cb 0.20 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 3gdk h ILE 171 CO -0.01 0.13 0.64 0.00 0.00 0.00 0.00 178.15 178.91 3gdk h ALA 172 N 1.32 1.43 0.00 1.87 0.00 -0.70 -1.53 119.26 121.64 3gdk h ALA 172 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gdk h ALA 172 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gdk h ALA 172 CO -0.15 0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.34 3gdk h LYS 173 N 1.11 0.00 0.00 0.00 1.57 -0.72 -2.65 116.57 115.88 3gdk h LYS 173 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3gdk h LYS 173 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3gdk h LYS 173 CO -0.21 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.54 3gdk n SER 174 N -2.82 0.49 -3.09 0.86 3.41 -0.57 -4.40 113.62 107.50 3gdk n SER 174 Ca -0.02 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.16 3gdk n SER 174 Cb 0.08 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 3gdk n SER 174 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gdk s ASP 175 N -3.91 -0.88 0.21 4.04 -1.08 -1.00 -4.99 116.67 109.06 3gdk s ASP 175 Ca 0.05 -1.40 0.22 0.00 -0.52 0.00 0.00 52.55 50.90 3gdk s ASP 175 Cb 0.09 1.56 0.92 0.00 -1.46 0.00 0.00 42.92 44.03 3gdk s ASP 175 CO 0.35 -0.14 1.68 2.29 0.52 0.00 0.00 175.17 179.87 3gdk n LYS 176 N 3.76 0.16 0.09 4.34 2.85 -1.26 -1.20 118.16 126.90 3gdk n LYS 176 Ca 0.15 0.38 -0.12 0.00 -1.05 0.00 0.00 58.31 57.66 3gdk n LYS 176 Cb 0.54 -1.80 -0.12 0.00 -0.65 0.00 0.00 35.03 32.99 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 0.26 0.00 -5.58 3.45 -1.94 -3.39 116.42 109.22 3gdk h ASP 177 Ca 0.00 -0.28 -0.32 0.00 0.43 0.00 0.00 57.03 56.87 3gdk h ASP 177 Cb 0.37 -0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 39.00 3gdk h ASP 177 CO 0.00 1.21 -2.20 0.33 -1.57 0.00 0.00 179.24 177.00 3gdk n PHE 178 N -3.47 0.00 -2.89 4.55 7.35 -1.11 -4.48 117.46 117.42 3gdk n PHE 178 Ca -0.05 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.21 3gdk n PHE 178 Cb 0.98 -0.81 -0.04 0.00 0.35 0.00 0.00 39.48 39.95 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 4.41 -2.01 -2.13 1.01 -0.34 -0.48 120.40 118.43 3gdk s VAL 179 Ca -0.28 -0.18 0.27 0.00 0.00 0.00 0.00 61.98 61.79 3gdk s VAL 179 Cb 0.07 -4.60 0.39 0.00 0.00 0.00 0.00 36.38 32.24 3gdk s VAL 179 CO 0.49 -1.28 1.65 2.30 0.00 0.00 0.00 175.10 178.27 3gdk n ILE 180 N 5.97 0.00 -1.23 2.22 -5.35 -0.49 -4.65 119.36 115.84 3gdk n ILE 180 Ca -0.02 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3gdk n ILE 180 Cb 0.46 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.28 -0.51 3.17 3.28 0.00 -1.25 -1.07 105.19 110.09 3gdk n GLY 181 Ca 0.15 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.69 0.40 -0.38 1.61 0.08 0.07 -1.75 117.98 114.33 3gdk s PHE 182 Ca 0.00 -0.86 -0.14 0.00 0.12 0.00 0.00 56.93 56.06 3gdk s PHE 182 Cb 0.00 -0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 3gdk s PHE 182 CO 0.00 -0.50 0.26 0.42 -0.10 0.00 0.00 175.22 175.30 3gdk s ILE 183 N -3.92 5.15 0.28 0.64 -1.09 -0.75 -1.21 121.20 120.31 3gdk s ILE 183 Ca 0.09 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.87 3gdk s ILE 183 Cb 0.06 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 3gdk s ILE 183 CO -0.08 -0.19 0.52 0.00 -1.23 0.00 0.00 174.94 173.97 3gdk s ALA 184 N 1.68 -0.13 -0.96 9.38 0.00 -0.77 -2.37 121.76 128.58 3gdk s ALA 184 Ca 0.05 -0.97 0.14 0.00 0.00 0.00 0.00 51.96 51.18 3gdk s ALA 184 Cb -0.18 1.04 0.42 0.00 0.00 0.00 0.00 23.12 24.40 3gdk s ALA 184 CO 0.10 -0.86 1.35 1.04 0.00 0.00 0.00 175.76 177.38 3gdk n GLN 185 N -0.44 2.95 -3.63 0.00 1.13 -1.26 -4.02 117.38 112.11 3gdk n GLN 185 Ca -0.02 -2.33 -0.03 0.00 -1.94 0.00 0.00 57.00 52.68 3gdk n GLN 185 Cb 0.61 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 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 -1.36 0.72 0.31 -1.09 1.70 -1.26 -4.98 118.95 112.98 3gdk s ARG 186 Ca 0.32 -0.36 -0.29 0.00 -0.47 0.00 0.00 55.73 54.93 3gdk s ARG 186 Cb 0.19 0.27 -0.13 0.00 -0.57 0.00 0.00 34.95 34.72 3gdk s ARG 186 CO 0.18 -0.33 1.33 -3.47 -1.08 0.00 0.00 175.30 171.93 3gdk n ASP 187 N -0.36 2.77 -0.88 -2.89 2.03 -1.14 -4.90 116.55 111.18 3gdk n ASP 187 Ca -0.06 1.19 0.07 0.00 0.52 0.00 0.00 54.79 56.51 3gdk n ASP 187 Cb 0.61 -1.47 0.21 0.00 -0.72 0.00 0.00 41.12 39.75 3gdk n ASP 187 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3gdk n MET 188 N 1.06 2.88 0.00 -0.67 2.81 -1.26 -5.08 117.12 116.86 3gdk n MET 188 Ca 0.07 -2.29 0.00 0.00 -1.81 0.00 0.00 57.70 53.67 3gdk n MET 188 Cb 0.35 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.78 1.92 1.71 3.03 0.00 -1.26 -4.94 105.19 106.43 3gdk n GLY 189 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.75 0.24 -0.02 0.00 -1.26 -4.72 105.19 101.18 3gdk n GLY 190 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 2.83 0.79 -0.31 1.61 3.08 -1.92 0.58 114.38 121.05 3gdk h ARG 191 Ca 0.00 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 59.96 3gdk h ARG 191 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3gdk h ARG 191 CO 0.00 0.64 0.21 -0.44 -1.07 0.00 0.00 179.97 179.31 3gdk h ASP 192 N 0.75 0.29 -0.17 7.04 3.32 -1.91 -1.82 116.42 123.91 3gdk h ASP 192 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3gdk h ASP 192 Cb 0.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3gdk h ASP 192 CO -0.03 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 177.08 3gdk n GLU 193 N -4.49 1.75 -0.48 3.56 1.02 -1.01 -4.92 120.64 116.07 3gdk n GLU 193 Ca 0.02 -1.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 3gdk n GLU 193 Cb 0.13 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3gdk n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gdk n GLY 194 N 1.14 0.76 3.88 0.62 0.00 -0.68 -5.07 105.19 105.84 3gdk n GLY 194 Ca 0.16 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 3.61 -0.58 1.61 2.02 0.17 -5.00 117.35 117.17 3gdk s TYR 195 Ca 0.00 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.33 3gdk s TYR 195 Cb 0.00 -1.99 0.16 0.00 -0.40 0.00 0.00 41.96 39.73 3gdk s TYR 195 CO 0.00 0.68 0.40 0.34 -1.57 0.00 0.00 175.55 175.41 3gdk s ASP 196 N -1.32 3.68 0.04 2.29 2.15 -1.26 -3.42 116.67 118.83 3gdk s ASP 196 Ca 0.21 -3.43 -0.24 0.00 0.43 0.00 0.00 52.55 49.52 3gdk s ASP 196 Cb -0.13 -1.22 -0.06 0.00 -0.30 0.00 0.00 42.92 41.22 3gdk s ASP 196 CO 0.10 -0.14 0.73 0.26 -0.17 0.00 0.00 175.17 175.95 3gdk s TRP 197 N -0.73 3.73 0.00 -5.34 0.51 -1.26 -4.88 118.94 110.98 3gdk s TRP 197 Ca 0.26 1.42 -0.30 0.00 -2.12 0.00 0.00 56.10 55.36 3gdk s TRP 197 Cb -0.06 -2.77 -0.04 0.00 -0.81 0.00 0.00 33.47 29.79 3gdk s TRP 197 CO -0.14 0.30 1.09 -0.51 -0.51 0.00 0.00 176.95 177.18 3gdk s LEU 198 N -0.15 4.34 -0.34 2.99 1.43 -0.23 -4.90 118.68 121.82 3gdk s LEU 198 Ca 0.37 1.79 -0.08 0.00 -1.03 0.00 0.00 54.13 55.18 3gdk s LEU 198 Cb -0.20 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.48 3gdk s LEU 198 CO 0.22 -0.40 0.13 -0.63 0.23 0.00 0.00 176.35 175.90 3gdk s ILE 199 N 1.31 4.02 -0.19 -0.59 -1.09 -1.26 -0.75 121.20 122.65 3gdk s ILE 199 Ca 0.55 -0.99 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 3gdk s ILE 199 Cb -0.24 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 3gdk s ILE 199 CO 0.26 -0.16 -0.01 -0.04 -1.23 0.00 0.00 174.94 173.77 3gdk s MET 200 N 1.46 3.63 -0.17 2.79 -1.94 -0.35 -0.19 119.30 124.52 3gdk s MET 200 Ca -0.00 -0.52 0.01 0.00 -1.71 0.00 0.00 55.69 53.47 3gdk s MET 200 Cb -0.19 -3.04 0.02 0.00 2.01 0.00 0.00 34.83 33.63 3gdk s MET 200 CO 0.04 0.07 -0.18 0.99 -0.01 0.00 0.00 175.02 175.93 3gdk s THR 201 N 0.85 1.90 0.71 2.05 2.01 -0.35 -1.84 115.64 120.95 3gdk s THR 201 Ca 0.00 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 3gdk s THR 201 Cb -0.14 -1.74 0.10 0.00 0.01 0.00 0.00 72.50 70.73 3gdk s THR 201 CO 0.02 0.49 0.99 -2.16 -0.69 0.00 0.00 174.62 173.27 3gdk s PRO 202 N 1.35 1.84 -0.59 4.92 0.04 -1.26 -0.89 135.00 140.42 3gdk s PRO 202 Ca 0.05 -0.79 -0.01 0.00 0.04 0.00 0.00 61.00 60.28 3gdk s PRO 202 Cb -0.13 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3gdk s PRO 202 CO -0.12 -1.37 0.50 0.41 0.04 0.00 0.00 177.00 176.46 3gdk n GLY 203 N -2.86 -0.05 3.20 0.56 0.00 -1.25 -4.91 105.19 99.88 3gdk n GLY 203 Ca 0.12 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.19 1.70 0.33 1.61 1.01 -1.26 -2.66 120.40 117.93 3gdk s VAL 204 Ca 0.10 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3gdk s VAL 204 Cb -0.01 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3gdk s VAL 204 CO 0.38 0.48 0.20 0.61 0.00 0.00 0.00 175.10 176.77 3gdk n GLY 205 N 2.99 3.16 0.16 4.51 0.00 0.88 -4.86 105.19 112.03 3gdk n GLY 205 Ca -0.17 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 43.94 3gdk n GLY 205 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdk n LEU 206 N 0.00 2.43 -3.76 0.99 4.77 -1.26 -1.71 117.00 118.46 3gdk n LEU 206 Ca 0.02 -2.69 -0.26 0.00 -0.03 0.00 0.00 56.01 53.05 3gdk n LEU 206 Cb 0.54 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3gdk n LEU 206 CO 0.28 0.64 -0.12 0.47 -1.33 0.00 0.00 177.39 177.33 3gdk n ASP 207 N -0.95 -2.46 -4.76 -1.43 9.92 -1.26 -4.90 116.55 110.71 3gdk n ASP 207 Ca 0.11 -0.94 -0.40 0.00 -0.53 0.00 0.00 54.79 53.03 3gdk n ASP 207 Cb 0.53 -3.54 -0.04 0.00 -0.64 0.00 0.00 41.12 37.44 3gdk n ASP 207 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3gdk s ASP 208 N -4.03 7.16 -0.03 -2.24 1.01 -1.26 -4.93 116.67 112.35 3gdk s ASP 208 Ca 0.18 2.35 -0.37 0.00 0.71 0.00 0.00 52.55 55.42 3gdk s ASP 208 Cb -0.06 -2.63 -0.15 0.00 1.01 0.00 0.00 42.92 41.09 3gdk s ASP 208 CO 0.85 -0.23 1.58 1.17 0.21 0.00 0.00 175.17 178.75 3gdk n LYS 209 N 1.18 1.50 -0.93 8.23 4.81 -1.26 -1.41 118.16 130.28 3gdk n LYS 209 Ca -0.01 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3gdk n LYS 209 Cb 0.44 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.24 3gdk n LYS 209 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdk n GLY 210 N 3.46 0.39 3.37 3.14 0.00 -1.26 -4.96 105.19 109.33 3gdk n GLY 210 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 3gdk n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gdk s ASP 211 N -2.21 6.83 0.17 1.61 2.15 -0.50 -4.90 116.67 119.82 3gdk s ASP 211 Ca 0.00 -2.68 -0.15 0.00 0.43 0.00 0.00 52.55 50.16 3gdk s ASP 211 Cb 0.00 -2.27 0.05 0.00 -0.30 0.00 0.00 42.92 40.40 3gdk s ASP 211 CO 0.00 -0.67 1.83 0.00 -0.17 0.00 0.00 175.17 176.16 3gdk h ALA 212 N 7.85 0.62 -0.27 3.66 0.00 -1.93 -0.96 119.26 128.23 3gdk h ALA 212 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gdk h ALA 212 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3gdk h ALA 212 CO 0.91 0.05 0.16 -0.07 0.00 0.00 0.00 179.25 180.31 3gdk h LEU 213 N 0.65 0.32 -1.22 0.00 4.07 -1.99 -2.74 115.31 114.41 3gdk h LEU 213 Ca 0.18 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.02 3gdk h LEU 213 Cb -0.06 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3gdk h LEU 213 CO -0.05 0.27 -0.26 1.23 -1.08 0.00 0.00 178.44 178.56 3gdk h GLY 214 N 0.34 0.23 1.65 0.83 0.00 -1.92 -2.52 103.07 101.67 3gdk h GLY 214 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3gdk h GLY 214 CO -0.02 0.16 0.00 -1.06 0.00 0.00 0.00 176.54 175.62 3gdk n GLN 215 N -4.16 0.20 0.22 4.80 6.02 -0.38 -2.22 117.38 121.85 3gdk n GLN 215 Ca -0.01 0.14 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 3gdk n GLN 215 Cb 0.36 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.41 3gdk n GLN 215 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3gdk h GLN 216 N 0.00 0.00 -7.09 -1.09 4.20 -1.37 -3.45 115.11 106.31 3gdk h GLN 216 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 3gdk h GLN 216 Cb 0.18 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.03 3gdk h GLN 216 CO 0.00 0.09 0.10 0.71 -0.67 0.00 0.00 178.83 179.07 3gdk s TYR 217 N -3.32 2.68 0.31 2.96 2.02 -0.94 -5.08 117.35 115.99 3gdk s TYR 217 Ca 0.05 0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 3gdk s TYR 217 Cb 0.07 -3.01 -0.09 0.00 -0.40 0.00 0.00 41.96 38.54 3gdk s TYR 217 CO 0.65 -1.25 0.71 1.03 -1.57 0.00 0.00 175.55 175.12 3gdk s ARG 218 N -5.04 3.95 0.68 -0.62 0.52 -1.09 -4.71 118.95 112.65 3gdk s ARG 218 Ca 0.60 0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 56.29 3gdk s ARG 218 Cb -0.10 -2.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.91 3gdk s ARG 218 CO 0.42 0.17 1.06 0.95 0.02 0.00 0.00 175.30 177.92 3gdk s THR 219 N -1.99 4.10 0.17 0.02 -4.23 -1.26 -0.09 115.64 112.37 3gdk s THR 219 Ca 0.53 0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 61.58 3gdk s THR 219 Cb -0.10 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.23 3gdk s THR 219 CO 0.19 -0.89 1.79 0.58 -0.54 0.00 0.00 174.62 175.75 3gdk h VAL 220 N -0.60 0.99 -0.65 2.29 2.07 -1.70 -1.99 116.25 116.66 3gdk h VAL 220 Ca -0.44 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3gdk h VAL 220 Cb 1.21 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3gdk h VAL 220 CO 0.60 0.09 0.39 0.44 0.02 0.00 0.00 177.57 179.11 3gdk h ASP 221 N 0.47 0.63 0.17 0.57 3.45 -1.88 -0.72 116.42 119.12 3gdk h ASP 221 Ca 0.19 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.65 3gdk h ASP 221 Cb 0.07 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3gdk h ASP 221 CO -0.12 0.43 -0.10 -0.78 -1.57 0.00 0.00 179.24 177.10 3gdk h ASP 222 N 0.76 -0.25 -0.21 6.45 -0.00 -1.79 -0.90 116.42 120.48 3gdk h ASP 222 Ca 0.27 0.02 -0.09 0.00 -0.00 0.00 0.00 57.03 57.22 3gdk h ASP 222 Cb 0.06 0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 39.46 3gdk h ASP 222 CO -0.12 -0.17 -0.22 -0.37 -0.00 0.00 0.00 179.24 178.36 3gdk h VAL 223 N -0.26 1.32 -0.54 2.25 -1.51 -1.21 -2.66 116.25 113.65 3gdk h VAL 223 Ca -0.01 -1.39 -0.03 0.00 -1.23 0.00 0.00 66.70 64.03 3gdk h VAL 223 Cb 0.22 1.74 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 3gdk h VAL 223 CO 0.02 0.43 0.22 0.58 -1.23 0.00 0.00 177.57 177.58 3gdk h VAL 224 N 0.21 1.20 -0.26 7.19 2.07 -1.15 -1.86 116.25 123.65 3gdk h VAL 224 Ca 0.03 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3gdk h VAL 224 Cb 0.78 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3gdk h VAL 224 CO 0.05 0.24 0.00 0.28 0.02 0.00 0.00 177.57 178.17 3gdk h SER 225 N 0.77 0.36 -0.41 0.57 0.02 -1.06 -2.75 113.55 111.05 3gdk h SER 225 Ca 0.19 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3gdk h SER 225 Cb 0.16 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3gdk h SER 225 CO -0.02 0.42 0.00 0.35 -1.14 0.00 0.00 176.83 176.44 3gdk n THR 226 N -4.33 1.70 0.00 -2.27 -2.24 -0.79 -4.91 114.28 101.45 3gdk n THR 226 Ca 0.01 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3gdk n THR 226 Cb 0.21 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3gdk n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdk n GLY 227 N 0.57 0.78 3.75 3.38 0.00 -1.04 -2.87 105.19 109.76 3gdk n GLY 227 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.96 6.62 -0.08 1.61 0.01 -0.77 -4.65 113.70 114.48 3gdk s SER 228 Ca 0.00 2.70 0.18 0.00 1.31 0.00 0.00 55.95 60.14 3gdk s SER 228 Cb 0.00 -2.62 -0.23 0.00 0.21 0.00 0.00 66.02 63.37 3gdk s SER 228 CO 0.00 -0.73 0.43 0.47 0.41 0.00 0.00 173.24 173.82 3gdk n ASP 229 N 2.32 0.35 -3.83 2.44 8.00 0.73 -4.53 116.55 122.02 3gdk n ASP 229 Ca 0.07 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 3gdk n ASP 229 Cb 0.40 0.81 -0.15 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.81 -0.02 -0.21 0.53 1.01 -0.73 -4.81 121.20 114.17 3gdk s ILE 230 Ca -0.07 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 3gdk s ILE 230 Cb 0.08 -0.04 -0.05 0.00 0.01 0.00 0.00 42.46 42.46 3gdk s ILE 230 CO 0.84 0.04 0.16 0.27 0.00 0.00 0.00 174.94 176.24 3gdk s ILE 231 N 0.45 5.38 -0.35 2.92 -4.36 -0.39 -1.22 121.20 123.64 3gdk s ILE 231 Ca -0.04 0.22 -0.13 0.00 -0.26 0.00 0.00 60.65 60.44 3gdk s ILE 231 Cb -0.05 -3.50 -0.01 0.00 1.25 0.00 0.00 42.46 40.15 3gdk s ILE 231 CO -0.01 0.40 0.25 -0.63 0.24 0.00 0.00 174.94 175.19 3gdk s ILE 232 N 0.61 5.26 -0.06 8.37 1.01 -0.07 -0.55 121.20 135.77 3gdk s ILE 232 Ca 0.09 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.50 3gdk s ILE 232 Cb -0.12 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 3gdk s ILE 232 CO 0.01 -0.05 -0.24 -0.69 0.00 0.00 0.00 174.94 173.97 3gdk s VAL 233 N 1.71 2.16 0.00 2.92 1.01 -0.35 -3.85 120.40 124.01 3gdk s VAL 233 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3gdk s VAL 233 Cb -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3gdk s VAL 233 CO 0.10 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3gdk n GLY 234 N 2.94 1.06 0.41 4.51 0.00 -1.26 -0.37 105.19 112.47 3gdk n GLY 234 Ca -0.17 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.98 -0.34 114.38 116.14 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 -1.52 -0.78 0.05 0.04 0.00 -1.26 -0.90 105.19 100.81 3gdk n GLY 236 Ca 0.09 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.69 0.31 0.00 0.99 4.77 -0.14 -4.79 117.00 116.45 3gdk n LEU 237 Ca 0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3gdk n LEU 237 Cb 0.08 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3gdk n LEU 237 CO 0.08 -0.03 0.00 2.22 -1.33 0.00 0.00 177.39 178.32 3gdk n PHE 238 N -2.44 0.00 -1.64 -1.77 1.16 -0.90 -3.46 117.46 108.41 3gdk n PHE 238 Ca -0.04 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.25 3gdk n PHE 238 Cb 0.60 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.61 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 0.00 1.94 -1.65 1.98 0.00 -0.08 -3.79 121.76 120.16 3gdk s ALA 239 Ca 0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 3gdk s ALA 239 Cb 0.00 -2.96 0.14 0.00 0.00 0.00 0.00 23.12 20.29 3gdk s ALA 239 CO 0.00 -2.29 0.87 1.63 0.00 0.00 0.00 175.76 175.97 3gdk n LYS 240 N -3.75 -4.02 -1.12 0.00 5.02 -1.26 -1.48 118.16 111.54 3gdk n LYS 240 Ca 0.09 0.45 -0.04 0.00 -2.02 0.00 0.00 58.31 56.79 3gdk n LYS 240 Cb 0.60 -5.25 -0.02 0.00 -0.02 0.00 0.00 35.03 30.34 3gdk n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdk n GLY 241 N -1.50 0.66 3.77 0.72 0.00 -1.26 -5.01 105.19 102.57 3gdk n GLY 241 Ca 0.07 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.74 2.63 -0.48 1.61 0.52 -0.55 -4.98 118.95 115.96 3gdk s ARG 242 Ca 0.00 1.38 -0.19 0.00 -0.52 0.00 0.00 55.73 56.40 3gdk s ARG 242 Cb 0.00 -1.93 0.04 0.00 0.52 0.00 0.00 34.95 33.58 3gdk s ARG 242 CO 0.00 -1.38 0.61 0.34 0.02 0.00 0.00 175.30 174.89 3gdk s ASP 243 N -2.68 6.25 0.25 0.23 3.68 -1.26 -4.75 116.67 118.39 3gdk s ASP 243 Ca 0.66 -0.73 -0.03 0.00 2.13 0.00 0.00 52.55 54.59 3gdk s ASP 243 Cb -0.21 -2.29 0.49 0.00 -1.45 0.00 0.00 42.92 39.46 3gdk s ASP 243 CO 0.44 -0.83 1.73 0.00 0.13 0.00 0.00 175.17 176.64 3gdk h ALA 244 N 8.94 1.13 -0.74 3.66 0.00 -1.90 -0.33 119.26 130.03 3gdk h ALA 244 Ca -0.27 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3gdk h ALA 244 Cb 1.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3gdk h ALA 244 CO 0.93 -0.20 0.22 -0.22 0.00 0.00 0.00 179.25 179.98 3gdk h LYS 245 N 0.48 1.15 -0.16 0.00 3.64 -1.86 0.34 116.57 120.16 3gdk h LYS 245 Ca 0.43 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3gdk h LYS 245 Cb 0.66 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3gdk h LYS 245 CO -0.41 0.98 -0.06 0.28 -2.27 0.00 0.00 179.45 177.98 3gdk h VAL 246 N 1.10 1.30 -0.60 2.00 2.07 -1.70 -2.51 116.25 117.91 3gdk h VAL 246 Ca 0.24 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 3gdk h VAL 246 Cb 0.32 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3gdk h VAL 246 CO -0.01 0.32 0.03 -0.33 0.02 0.00 0.00 177.57 177.61 3gdk h GLU 247 N 0.00 1.01 -0.58 1.57 4.39 -0.96 -1.63 114.58 118.39 3gdk h GLU 247 Ca 0.04 -0.29 0.07 0.00 0.34 0.00 0.00 59.36 59.51 3gdk h GLU 247 Cb 0.52 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 3gdk h GLU 247 CO 0.02 0.97 0.26 0.78 -1.16 0.00 0.00 179.01 179.89 3gdk h GLY 248 N 1.01 0.83 0.94 -3.84 0.00 -0.25 -0.44 103.07 101.32 3gdk h GLY 248 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3gdk h GLY 248 CO 0.02 0.06 -0.04 -2.09 0.00 0.00 0.00 176.54 174.49 3gdk h GLU 249 N 0.49 0.69 0.03 4.80 4.57 -1.17 -0.32 114.58 123.67 3gdk h GLU 249 Ca 0.28 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3gdk h GLU 249 Cb 0.26 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 3gdk h GLU 249 CO -0.23 0.81 -0.31 0.00 -1.18 0.00 0.00 179.01 178.10 3gdk h ARG 250 N 0.50 -0.46 -0.44 1.92 3.08 -0.62 0.26 114.38 118.61 3gdk h ARG 250 Ca 0.10 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3gdk h ARG 250 Cb 0.53 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3gdk h ARG 250 CO 0.03 -0.31 -0.14 1.88 -1.07 0.00 0.00 179.97 180.36 3gdk h TYR 251 N -0.48 0.91 0.04 3.04 -1.99 -1.10 -0.62 116.97 116.78 3gdk h TYR 251 Ca 0.05 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 3gdk h TYR 251 Cb 0.55 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3gdk h TYR 251 CO -0.32 0.90 -0.02 -0.09 -0.00 0.00 0.00 178.16 178.63 3gdk h ARG 252 N 0.73 -0.06 -0.17 4.88 2.43 -0.65 0.11 114.38 121.65 3gdk h ARG 252 Ca 0.12 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3gdk h ARG 252 Cb 0.64 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 3gdk h ARG 252 CO 0.05 0.03 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.26 3gdk h LYS 253 N -0.13 -0.02 -0.50 0.20 3.64 -0.35 0.13 116.57 119.54 3gdk h LYS 253 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3gdk h LYS 253 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3gdk h LYS 253 CO 0.01 -0.01 0.26 0.00 -2.27 0.00 0.00 179.45 177.44 3gdk h ALA 254 N 1.14 0.64 -0.51 5.00 0.00 -0.96 -1.15 119.26 123.43 3gdk h ALA 254 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3gdk h ALA 254 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gdk h ALA 254 CO -0.18 0.18 0.15 0.78 0.00 0.00 0.00 179.25 180.18 3gdk h GLY 255 N 0.67 0.86 0.96 0.00 0.00 -0.39 -2.00 103.07 103.17 3gdk h GLY 255 Ca 0.17 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3gdk h GLY 255 CO -0.03 0.49 -0.16 -0.25 0.00 0.00 0.00 176.54 176.59 3gdk h TRP 256 N 0.70 0.83 -0.51 5.60 2.91 -0.60 -1.87 115.95 123.02 3gdk h TRP 256 Ca 0.16 -0.20 -0.06 0.00 1.13 0.00 0.00 58.89 59.93 3gdk h TRP 256 Cb 0.29 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.73 3gdk h TRP 256 CO 0.02 0.92 0.09 0.93 -1.03 0.00 0.00 178.44 179.36 3gdk h GLU 257 N 0.51 0.80 -0.58 2.65 5.08 -1.17 -0.28 114.58 121.58 3gdk h GLU 257 Ca 0.08 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3gdk h GLU 257 Cb 0.69 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3gdk h GLU 257 CO 0.05 0.74 0.02 0.00 -1.00 0.00 0.00 179.01 178.82 3gdk h ALA 258 N 1.34 0.78 -0.48 3.43 0.00 -1.26 -0.99 119.26 122.07 3gdk h ALA 258 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gdk h ALA 258 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gdk h ALA 258 CO 0.00 0.60 0.27 -0.92 0.00 0.00 0.00 179.25 179.20 3gdk h TYR 259 N 0.90 0.65 -0.19 0.00 3.20 -0.76 -1.57 116.97 119.20 3gdk h TYR 259 Ca 0.17 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3gdk h TYR 259 Cb 0.53 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3gdk h TYR 259 CO 0.04 0.48 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.79 3gdk h LEU 260 N 0.63 0.30 -1.17 2.82 3.38 -0.85 -1.99 115.31 118.44 3gdk h LEU 260 Ca 0.17 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3gdk h LEU 260 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3gdk h LEU 260 CO -0.03 0.51 -0.15 -0.09 0.09 0.00 0.00 178.44 178.77 3gdk h ARG 261 N 0.29 0.40 0.00 1.13 2.43 -0.67 -3.51 114.38 114.44 3gdk h ARG 261 Ca 0.05 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3gdk h ARG 261 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3gdk h ARG 261 CO 0.03 0.55 0.00 -2.13 -1.51 0.00 0.00 179.97 176.91