#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 2.38 0.83 7.82 0.00 -1.26 0.24 121.76 131.76 3gdk s ALA 4 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 3gdk s ALA 4 Cb 0.00 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 20.24 3gdk s ALA 4 CO 0.00 -1.89 1.11 0.95 0.00 0.00 0.00 175.76 175.93 3gdk s THR 5 N -3.51 2.73 0.23 0.00 -4.23 -1.26 -4.80 115.64 104.79 3gdk s THR 5 Ca 0.63 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 61.30 3gdk s THR 5 Cb -0.12 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3gdk s THR 5 CO 0.50 -0.31 1.89 1.88 -0.54 0.00 0.00 174.62 178.05 3gdk h TYR 6 N -1.18 1.07 -0.51 3.99 0.05 -1.96 -0.96 116.97 117.46 3gdk h TYR 6 Ca -0.48 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.36 3gdk h TYR 6 Cb 1.29 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 3gdk h TYR 6 CO 0.41 0.64 0.28 -0.22 -1.05 0.00 0.00 178.16 178.22 3gdk h LYS 7 N 1.13 0.53 -0.52 4.88 3.64 -1.92 -1.08 116.57 123.23 3gdk h LYS 7 Ca 0.33 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 3gdk h LYS 7 Cb -0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3gdk h LYS 7 CO -0.09 0.35 -0.16 0.93 -2.27 0.00 0.00 179.45 178.20 3gdk h GLU 8 N 0.55 1.03 0.00 1.90 5.08 -1.77 -2.79 114.58 118.57 3gdk h GLU 8 Ca 0.21 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3gdk h GLU 8 Cb 0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3gdk h GLU 8 CO -0.12 1.10 -0.32 0.00 -1.00 0.00 0.00 179.01 178.66 3gdk h ARG 9 N 0.90 0.00 -0.12 2.33 3.08 -0.91 -2.31 114.38 117.35 3gdk h ARG 9 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3gdk h ARG 9 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3gdk h ARG 9 CO 0.06 0.32 -0.39 0.00 -1.07 0.00 0.00 179.97 178.89 3gdk h ALA 10 N 1.68 1.13 0.00 0.04 0.00 -0.95 0.64 119.26 121.80 3gdk h ALA 10 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3gdk h ALA 10 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gdk h ALA 10 CO 0.04 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3gdk h ALA 11 N 1.38 0.96 0.00 0.00 0.00 -1.20 -3.37 119.26 117.03 3gdk h ALA 11 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gdk h ALA 11 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gdk h ALA 11 CO 0.06 0.05 -0.80 0.25 0.00 0.00 0.00 179.25 178.81 3gdk n THR 12 N -3.10 0.00 -1.78 0.00 -2.24 -1.05 -5.04 114.28 101.06 3gdk n THR 12 Ca 0.04 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3gdk n THR 12 Cb 0.55 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.99 2.77 0.18 4.78 2.46 0.20 -4.90 115.29 118.79 3gdk s HIS 13 Ca -0.00 0.76 0.31 0.00 0.47 0.00 0.00 55.06 56.60 3gdk s HIS 13 Cb 0.04 -4.07 1.32 0.00 -0.13 0.00 0.00 32.58 29.74 3gdk s HIS 13 CO 0.23 -3.62 1.98 -1.00 -2.47 0.00 0.00 174.74 169.86 3gdk h PRO 14 N 4.98 0.00 -5.15 2.88 0.13 -1.90 -3.43 132.00 129.52 3gdk h PRO 14 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 3gdk h PRO 14 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 3gdk h PRO 14 CO 0.80 0.07 -0.27 0.45 -0.23 0.00 0.00 178.00 178.82 3gdk s SER 15 N -5.84 6.24 0.36 1.44 0.15 -1.26 -4.86 113.70 109.93 3gdk s SER 15 Ca 0.00 0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.99 3gdk s SER 15 Cb 0.10 -2.20 0.76 0.00 -1.71 0.00 0.00 66.02 62.97 3gdk s SER 15 CO 0.56 -0.15 1.95 -0.65 1.20 0.00 0.00 173.24 176.15 3gdk h PRO 16 N 8.11 0.71 -0.29 5.44 0.11 -1.85 -0.77 132.00 143.46 3gdk h PRO 16 Ca -0.32 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 3gdk h PRO 16 Cb 1.17 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3gdk h PRO 16 CO 0.64 0.47 -0.43 -0.24 -0.21 0.00 0.00 178.00 178.23 3gdk h VAL 17 N 0.73 1.29 -0.55 3.15 3.04 -1.88 -1.45 116.25 120.59 3gdk h VAL 17 Ca 0.33 -1.62 -0.11 0.00 -1.01 0.00 0.00 66.70 64.29 3gdk h VAL 17 Cb 0.33 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 3gdk h VAL 17 CO -0.11 0.52 -0.08 0.00 -1.01 0.00 0.00 177.57 176.89 3gdk h ALA 18 N 0.93 0.75 -0.68 3.17 0.00 -1.72 -1.18 119.26 120.53 3gdk h ALA 18 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3gdk h ALA 18 Cb 0.98 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3gdk h ALA 18 CO 0.09 0.64 0.12 0.00 0.00 0.00 0.00 179.25 180.11 3gdk h ALA 19 N 0.94 0.94 -0.71 0.00 0.00 -1.06 0.17 119.26 119.54 3gdk h ALA 19 Ca 0.15 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3gdk h ALA 19 Cb 0.64 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gdk h ALA 19 CO 0.04 0.67 0.15 -0.22 0.00 0.00 0.00 179.25 179.89 3gdk h LYS 20 N 1.04 1.14 -0.28 0.00 3.64 -1.03 -1.36 116.57 119.72 3gdk h LYS 20 Ca 0.21 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3gdk h LYS 20 Cb 0.42 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3gdk h LYS 20 CO 0.01 1.02 -0.10 1.25 -2.27 0.00 0.00 179.45 179.35 3gdk h LEU 21 N 1.08 0.58 -1.26 5.20 5.85 -0.84 -1.93 115.31 123.99 3gdk h LEU 21 Ca 0.22 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3gdk h LEU 21 Cb 0.40 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3gdk h LEU 21 CO 0.01 0.84 0.44 -0.26 -0.34 0.00 0.00 178.44 179.12 3gdk h PHE 22 N 0.31 0.91 -0.41 1.25 0.04 -0.83 -1.51 116.94 116.70 3gdk h PHE 22 Ca 0.07 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 3gdk h PHE 22 Cb 0.60 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3gdk h PHE 22 CO 0.06 0.59 -0.33 -0.91 -0.60 0.00 0.00 178.31 177.11 3gdk h ASN 23 N 0.96 0.99 -0.51 2.17 -0.26 -1.06 -2.12 115.58 115.75 3gdk h ASN 23 Ca 0.26 -0.43 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3gdk h ASN 23 Cb -0.07 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.89 3gdk h ASN 23 CO -0.05 1.22 0.28 0.40 -1.06 0.00 0.00 177.43 178.22 3gdk h ILE 24 N 0.78 1.18 -0.07 2.81 2.04 -0.92 -0.17 117.51 123.15 3gdk h ILE 24 Ca 0.08 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3gdk h ILE 24 Cb 0.92 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3gdk h ILE 24 CO 0.09 0.19 0.05 0.24 0.00 0.00 0.00 178.15 178.71 3gdk h MET 25 N 0.67 0.10 -0.40 2.37 2.86 -1.19 0.12 114.93 119.46 3gdk h MET 25 Ca 0.18 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3gdk h MET 25 Cb 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3gdk h MET 25 CO -0.03 0.08 0.19 1.25 1.06 0.00 0.00 176.91 179.46 3gdk h HIS 26 N 0.09 0.58 -0.43 -0.22 -0.00 -1.24 -0.12 115.15 113.81 3gdk h HIS 26 Ca 0.03 -0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.23 3gdk h HIS 26 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 3gdk h HIS 26 CO -0.07 0.49 -0.28 0.93 -0.00 0.00 0.00 177.93 179.00 3gdk h GLU 27 N 0.51 0.95 -0.05 5.26 5.08 -0.87 -3.18 114.58 122.28 3gdk h GLU 27 Ca 0.14 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3gdk h GLU 27 Cb 0.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gdk h GLU 27 CO -0.02 1.11 0.00 1.63 -1.00 0.00 0.00 179.01 180.73 3gdk n LYS 28 N -4.11 1.95 -3.67 2.33 5.02 0.02 -4.96 118.16 114.74 3gdk n LYS 28 Ca -0.01 -1.39 -0.25 0.00 -2.02 0.00 0.00 58.31 54.64 3gdk n LYS 28 Cb 0.49 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.68 -2.86 -3.74 1.97 6.02 -0.14 -4.99 117.38 114.32 3gdk n GLN 29 Ca 0.17 0.56 -0.13 0.00 -0.01 0.00 0.00 57.00 57.59 3gdk n GLN 29 Cb 0.46 -4.75 -0.10 0.00 1.02 0.00 0.00 30.24 26.86 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 -3.59 0.00 -0.11 5.09 -1.32 -0.73 -4.82 115.64 110.17 3gdk s THR 30 Ca 0.25 -0.01 0.14 0.00 -1.21 0.00 0.00 61.69 60.87 3gdk s THR 30 Cb -0.08 -0.54 0.29 0.00 -1.51 0.00 0.00 72.50 70.67 3gdk s THR 30 CO 0.83 -0.00 1.14 -0.46 -2.21 0.00 0.00 174.62 173.92 3gdk n ASN 31 N 2.85 1.47 -4.69 8.08 0.23 -1.26 -4.28 115.26 117.66 3gdk n ASN 31 Ca -0.13 -2.93 -0.39 0.00 -0.53 0.00 0.00 54.58 50.60 3gdk n ASN 31 Cb 0.57 -0.39 -0.06 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 -1.93 4.20 -0.16 -4.53 2.96 -1.26 -0.97 118.68 116.98 3gdk s LEU 32 Ca 0.28 0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 54.90 3gdk s LEU 32 Cb 0.27 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 3gdk s LEU 32 CO -0.04 -0.11 -0.06 0.00 -1.32 0.00 0.00 176.35 174.83 3gdk s ALA 34 N 0.59 3.54 -0.50 0.00 0.00 -0.18 -1.66 121.76 123.56 3gdk s ALA 34 Ca -0.04 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3gdk s ALA 34 Cb -0.15 -2.60 0.11 0.00 0.00 0.00 0.00 23.12 20.48 3gdk s ALA 34 CO 0.03 -0.64 0.42 0.45 0.00 0.00 0.00 175.76 176.02 3gdk s SER 35 N 1.71 6.04 -0.66 0.00 0.15 -0.57 -0.09 113.70 120.28 3gdk s SER 35 Ca 0.10 -1.64 -0.13 0.00 0.70 0.00 0.00 55.95 54.99 3gdk s SER 35 Cb -0.16 -2.15 0.17 0.00 -1.71 0.00 0.00 66.02 62.17 3gdk s SER 35 CO 0.11 -0.73 0.58 -0.76 1.20 0.00 0.00 173.24 173.63 3gdk s LEU 36 N 1.56 6.25 -1.13 3.45 1.43 -0.56 -4.33 118.68 125.35 3gdk s LEU 36 Ca 0.04 -2.30 -0.07 0.00 -1.03 0.00 0.00 54.13 50.76 3gdk s LEU 36 Cb -0.27 -2.14 0.27 0.00 0.03 0.00 0.00 46.19 44.08 3gdk s LEU 36 CO 0.03 -0.66 1.44 -0.90 0.23 0.00 0.00 176.35 176.49 3gdk n ASP 37 N 4.47 5.89 -4.86 2.29 5.75 -1.26 -4.15 116.55 124.68 3gdk n ASP 37 Ca 0.01 -3.23 -0.21 0.00 -0.01 0.00 0.00 54.79 51.35 3gdk n ASP 37 Cb 0.43 -1.36 -0.03 0.00 -1.03 0.00 0.00 41.12 39.13 3gdk n ASP 37 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3gdk s VAL 38 N -1.55 3.53 -0.18 2.12 -7.23 -1.26 -5.06 120.40 110.77 3gdk s VAL 38 Ca 0.33 -1.36 0.18 0.00 -1.81 0.00 0.00 61.98 59.33 3gdk s VAL 38 Cb 0.01 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 3gdk s VAL 38 CO 0.03 -0.17 1.12 -0.09 -0.31 0.00 0.00 175.10 175.68 3gdk h ARG 39 N 1.23 0.00 -6.12 4.82 2.43 -1.95 -3.39 114.38 111.40 3gdk h ARG 39 Ca -0.45 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.17 3gdk h ARG 39 Cb 1.25 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.59 3gdk h ARG 39 CO 0.58 0.27 -0.82 0.95 -1.51 0.00 0.00 179.97 179.44 3gdk s THR 40 N -3.04 1.70 0.32 0.20 -4.23 -1.26 -1.09 115.64 108.23 3gdk s THR 40 Ca 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3gdk s THR 40 Cb 0.08 -1.56 0.27 0.00 1.34 0.00 0.00 72.50 72.63 3gdk s THR 40 CO 0.78 -0.09 1.98 0.74 -0.54 0.00 0.00 174.62 177.49 3gdk h THR 41 N 4.02 1.16 -0.04 3.99 2.02 -1.92 -1.43 112.91 120.72 3gdk h THR 41 Ca -0.46 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.40 3gdk h THR 41 Cb 1.18 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3gdk h THR 41 CO 0.40 0.18 -0.07 0.50 0.37 0.00 0.00 175.52 176.91 3gdk h LYS 42 N 0.99 -0.09 -0.79 6.66 3.64 -1.95 0.16 116.57 125.18 3gdk h LYS 42 Ca 0.29 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3gdk h LYS 42 Cb -0.05 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3gdk h LYS 42 CO -0.07 -0.06 0.41 0.93 -2.27 0.00 0.00 179.45 178.39 3gdk h GLU 43 N -0.10 1.11 0.65 1.90 5.08 -1.86 -1.45 114.58 119.92 3gdk h GLU 43 Ca 0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3gdk h GLU 43 Cb 0.15 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.20 3gdk h GLU 43 CO -0.10 0.83 -0.31 1.25 -1.00 0.00 0.00 179.01 179.68 3gdk h LEU 44 N 1.12 -0.74 -1.47 1.33 5.85 -0.48 -1.55 115.31 119.37 3gdk h LEU 44 Ca 0.28 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3gdk h LEU 44 Cb 0.06 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3gdk h LEU 44 CO -0.04 -0.51 0.37 -0.07 -0.34 0.00 0.00 178.44 177.85 3gdk h LEU 45 N -0.91 0.61 0.12 2.25 3.38 -0.59 -0.02 115.31 120.15 3gdk h LEU 45 Ca -0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3gdk h LEU 45 Cb 0.68 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3gdk h LEU 45 CO 0.15 0.44 -0.06 -0.08 0.09 0.00 0.00 178.44 178.98 3gdk h GLU 46 N 0.72 -0.15 -0.62 1.13 4.81 -1.09 -1.98 114.58 117.40 3gdk h GLU 46 Ca 0.21 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3gdk h GLU 46 Cb -0.03 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3gdk h GLU 46 CO -0.05 -0.07 0.05 -0.07 -0.73 0.00 0.00 179.01 178.14 3gdk h LEU 47 N -0.19 1.03 -0.61 1.64 3.38 -0.66 -2.77 115.31 117.12 3gdk h LEU 47 Ca -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3gdk h LEU 47 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3gdk h LEU 47 CO 0.03 1.06 0.35 0.58 0.09 0.00 0.00 178.44 180.55 3gdk h VAL 48 N 0.97 1.19 -0.50 1.22 2.07 -0.95 -0.54 116.25 119.71 3gdk h VAL 48 Ca 0.18 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3gdk h VAL 48 Cb 0.50 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3gdk h VAL 48 CO 0.02 0.20 0.23 -0.08 0.02 0.00 0.00 177.57 177.97 3gdk h GLU 49 N 0.83 0.44 -0.24 1.57 4.57 -1.26 0.64 114.58 121.13 3gdk h GLU 49 Ca 0.22 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 3gdk h GLU 49 Cb 0.01 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3gdk h GLU 49 CO -0.04 0.29 -0.27 0.00 -1.18 0.00 0.00 179.01 177.81 3gdk h ALA 50 N 1.28 1.08 0.00 2.92 0.00 -1.17 -3.29 119.26 120.08 3gdk h ALA 50 Ca 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3gdk h ALA 50 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gdk h ALA 50 CO -0.18 0.57 -1.55 1.28 0.00 0.00 0.00 179.25 179.37 3gdk n LEU 51 N -4.11 0.43 -0.35 0.00 4.77 -0.25 -4.46 117.00 113.04 3gdk n LEU 51 Ca -0.01 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 3gdk n LEU 51 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3gdk n LEU 51 CO 0.42 -0.04 0.49 0.61 -1.33 0.00 0.00 177.39 177.54 3gdk n GLY 52 N 1.26 -1.96 0.33 -0.72 0.00 0.22 -0.64 105.19 103.68 3gdk n GLY 52 Ca -0.04 1.01 0.15 0.00 0.00 0.00 0.00 46.02 47.13 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 0.01 -0.03 1.61 0.11 -1.82 -3.05 132.00 128.84 3gdk h PRO 53 Ca 0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3gdk h PRO 53 Cb 0.48 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3gdk h PRO 53 CO -0.87 0.01 -0.03 1.63 -0.21 0.00 0.00 178.00 178.53 3gdk n LYS 54 N -4.45 2.15 -4.48 1.05 4.76 0.18 -4.99 118.16 112.38 3gdk n LYS 54 Ca 0.04 -1.72 -0.25 0.00 -2.87 0.00 0.00 58.31 53.52 3gdk n LYS 54 Cb 0.38 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.03 2.46 -0.06 -0.18 -4.36 -1.08 -4.62 121.20 111.33 3gdk s ILE 55 Ca 0.29 -2.30 0.13 0.00 -0.26 0.00 0.00 60.65 58.51 3gdk s ILE 55 Cb 0.20 -2.47 -0.19 0.00 1.25 0.00 0.00 42.46 41.25 3gdk s ILE 55 CO 0.32 -0.32 0.29 0.00 0.24 0.00 0.00 174.94 175.47 3gdk s LEU 57 N -3.77 0.20 -0.22 0.00 2.96 -1.23 -2.04 118.68 114.60 3gdk s LEU 57 Ca -0.04 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.68 3gdk s LEU 57 Cb 0.08 1.34 0.00 0.00 0.50 0.00 0.00 46.19 48.12 3gdk s LEU 57 CO 0.52 -0.17 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.09 3gdk s LEU 58 N 0.79 2.78 -0.27 -0.68 2.96 -0.19 -1.01 118.68 123.07 3gdk s LEU 58 Ca -0.05 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 3gdk s LEU 58 Cb -0.06 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 3gdk s LEU 58 CO -0.06 -0.03 0.23 -0.75 -1.32 0.00 0.00 176.35 174.43 3gdk s LYS 59 N 1.43 4.00 0.36 1.98 2.20 0.87 -0.65 119.74 129.94 3gdk s LYS 59 Ca 0.05 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 3gdk s LYS 59 Cb -0.14 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 3gdk s LYS 59 CO -0.05 -0.15 0.53 0.95 -0.36 0.00 0.00 175.35 176.28 3gdk s THR 60 N 1.67 4.36 -0.42 3.43 -4.23 -0.10 -1.50 115.64 118.85 3gdk s THR 60 Ca 0.09 -0.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.93 3gdk s THR 60 Cb -0.15 -3.56 0.25 0.00 1.34 0.00 0.00 72.50 70.37 3gdk s THR 60 CO 0.09 -0.30 0.54 1.41 -0.54 0.00 0.00 174.62 175.83 3gdk n HIS 61 N -1.78 0.08 0.22 3.99 -0.00 -1.26 -0.68 115.22 115.79 3gdk n HIS 61 Ca -0.02 -3.62 0.12 0.00 -0.00 0.00 0.00 57.72 54.20 3gdk n HIS 61 Cb 0.57 -0.37 0.71 0.00 -0.00 0.00 0.00 29.99 30.91 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 2.17 0.82 -0.00 1.59 -1.51 -1.96 -2.32 116.25 115.04 3gdk h VAL 62 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 3gdk h VAL 62 Cb 0.86 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3gdk h VAL 62 CO 0.50 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 177.28 3gdk h ASP 63 N 0.00 0.00 -0.10 4.19 3.32 -1.99 -1.99 116.42 119.85 3gdk h ASP 63 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3gdk h ASP 63 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3gdk h ASP 63 CO -0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3gdk n ILE 64 N -3.22 0.18 -2.61 0.35 -5.35 -0.87 -4.93 119.36 102.90 3gdk n ILE 64 Ca -0.03 -0.59 -0.42 0.00 -0.27 0.00 0.00 62.75 61.44 3gdk n ILE 64 Cb 0.08 1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.24 4.34 0.29 7.28 1.43 -0.75 -4.53 118.68 125.51 3gdk s LEU 65 Ca 0.21 1.74 0.17 0.00 -1.03 0.00 0.00 54.13 55.21 3gdk s LEU 65 Cb 0.14 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.88 3gdk s LEU 65 CO 0.20 -0.38 1.43 0.71 0.23 0.00 0.00 176.35 178.54 3gdk h THR 66 N 4.80 0.69 -0.80 5.49 1.35 -1.43 -3.35 112.91 119.66 3gdk h THR 66 Ca -0.39 -1.99 -0.51 0.00 -0.55 0.00 0.00 66.41 62.97 3gdk h THR 66 Cb 1.20 2.32 -0.42 0.00 -1.73 0.00 0.00 68.15 69.51 3gdk h THR 66 CO 0.80 0.39 -0.85 -0.90 -0.25 0.00 0.00 175.52 174.70 3gdk n ASP 67 N -3.18 4.45 -4.77 5.36 5.68 -1.26 -5.07 116.55 117.76 3gdk n ASP 67 Ca 0.02 -3.52 -0.41 0.00 -0.50 0.00 0.00 54.79 50.37 3gdk n ASP 67 Cb 0.70 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 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 -3.61 2.94 -0.03 2.11 5.36 -1.26 -4.76 117.98 118.74 3gdk s PHE 68 Ca 0.47 1.31 -0.29 0.00 -0.96 0.00 0.00 56.93 57.46 3gdk s PHE 68 Cb 0.40 -3.77 0.08 0.00 -0.34 0.00 0.00 43.02 39.39 3gdk s PHE 68 CO 0.01 -2.21 0.74 -1.54 -1.46 0.00 0.00 175.22 170.75 3gdk s SER 69 N -0.30 -0.57 0.07 6.13 1.04 -1.26 -4.98 113.70 113.82 3gdk s SER 69 Ca 0.51 0.49 -0.20 0.00 0.48 0.00 0.00 55.95 57.23 3gdk s SER 69 Cb -0.41 0.50 -0.11 0.00 0.10 0.00 0.00 66.02 66.09 3gdk s SER 69 CO 0.54 -0.63 1.52 0.24 0.98 0.00 0.00 173.24 175.89 3gdk h MET 70 N 2.68 0.30 -0.13 4.02 2.86 -1.95 0.19 114.93 122.90 3gdk h MET 70 Ca -0.26 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.14 3gdk h MET 70 Cb 1.18 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3gdk h MET 70 CO 0.37 0.50 -0.56 0.93 1.06 0.00 0.00 176.91 179.20 3gdk h GLU 71 N 0.07 0.40 0.00 1.72 4.39 -1.97 0.13 114.58 119.32 3gdk h GLU 71 Ca 0.05 -0.26 -0.27 0.00 0.34 0.00 0.00 59.36 59.22 3gdk h GLU 71 Cb 0.35 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 3gdk h GLU 71 CO 0.01 0.85 -1.83 0.41 -1.16 0.00 0.00 179.01 177.29 3gdk n GLY 72 N 0.22 -1.04 0.41 -3.84 0.00 -1.21 -4.42 105.19 95.31 3gdk n GLY 72 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 3gdk n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdk n THR 73 N -2.90 0.81 0.07 2.61 -1.04 0.63 -4.56 114.28 109.90 3gdk n THR 73 Ca -0.19 0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.98 3gdk n THR 73 Cb 1.01 -1.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.72 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 -0.36 0.66 -0.12 12.58 2.07 -1.40 -1.32 116.25 128.36 3gdk h VAL 74 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3gdk h VAL 74 Cb 0.36 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3gdk h VAL 74 CO 0.00 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 177.58 3gdk h LYS 75 N -0.26 -0.53 -0.09 1.57 3.64 -0.95 0.14 116.57 120.10 3gdk h LYS 75 Ca 0.03 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3gdk h LYS 75 Cb 0.29 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3gdk h LYS 75 CO -0.10 -0.35 -0.17 -1.00 -2.27 0.00 0.00 179.45 175.56 3gdk h PRO 76 N -0.55 0.14 -0.14 1.90 0.13 -1.76 -2.60 132.00 129.12 3gdk h PRO 76 Ca 0.03 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3gdk h PRO 76 Cb 0.64 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3gdk h PRO 76 CO -0.40 0.31 0.06 1.25 -0.23 0.00 0.00 178.00 178.99 3gdk h LEU 77 N 0.13 0.19 -1.27 1.56 5.85 -0.02 -1.41 115.31 120.32 3gdk h LEU 77 Ca 0.03 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3gdk h LEU 77 Cb 0.38 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3gdk h LEU 77 CO 0.02 0.27 0.01 0.11 -0.34 0.00 0.00 178.44 178.52 3gdk h LYS 78 N 0.09 0.50 -0.88 1.25 1.57 -0.62 -0.81 116.57 117.66 3gdk h LYS 78 Ca 0.05 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3gdk h LYS 78 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3gdk h LYS 78 CO -0.01 0.52 0.49 0.00 -0.57 0.00 0.00 179.45 179.88 3gdk h ALA 79 N 1.54 1.13 -0.26 3.86 0.00 -1.09 -1.03 119.26 123.40 3gdk h ALA 79 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3gdk h ALA 79 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gdk h ALA 79 CO 0.01 0.63 -0.17 -0.07 0.00 0.00 0.00 179.25 179.65 3gdk h LEU 80 N 1.23 0.60 -1.24 0.00 3.38 -0.30 0.29 115.31 119.27 3gdk h LEU 80 Ca 0.31 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3gdk h LEU 80 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3gdk h LEU 80 CO -0.05 0.91 0.31 0.77 0.09 0.00 0.00 178.44 180.47 3gdk h SER 81 N 0.30 0.75 -0.11 -0.43 4.64 -0.95 0.15 113.55 117.90 3gdk h SER 81 Ca 0.05 -0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 3gdk h SER 81 Cb 0.70 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3gdk h SER 81 CO 0.05 0.62 -0.80 0.00 -0.87 0.00 0.00 176.83 175.82 3gdk h ALA 82 N 1.50 0.24 -0.19 5.18 0.00 -1.08 0.24 119.26 125.15 3gdk h ALA 82 Ca 0.21 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3gdk h ALA 82 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gdk h ALA 82 CO -0.03 0.64 0.00 -0.22 0.00 0.00 0.00 179.25 179.64 3gdk h LYS 83 N 0.44 0.33 -0.02 0.00 3.64 -0.43 -3.25 116.57 117.27 3gdk h LYS 83 Ca -0.07 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3gdk h LYS 83 Cb 1.44 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3gdk h LYS 83 CO 0.16 0.53 -0.06 0.66 -2.27 0.00 0.00 179.45 178.47 3gdk n TYR 84 N -4.72 0.00 -3.00 1.91 4.01 0.47 -5.03 117.16 110.80 3gdk n TYR 84 Ca -0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 3gdk n TYR 84 Cb 0.22 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.79 -7.50 -3.66 7.72 5.15 0.77 -4.65 115.26 113.87 3gdk n ASN 85 Ca 0.15 0.32 -0.12 0.00 -0.60 0.00 0.00 54.58 54.33 3gdk n ASN 85 Cb 0.51 -4.74 -0.06 0.00 -0.53 0.00 0.00 39.78 34.96 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 -2.50 -0.22 0.39 1.20 -0.12 -0.77 -4.85 117.98 111.12 3gdk s PHE 86 Ca 0.23 0.05 0.02 0.00 -0.05 0.00 0.00 56.93 57.18 3gdk s PHE 86 Cb -0.06 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.54 3gdk s PHE 86 CO 0.79 -0.62 0.58 -0.51 -0.05 0.00 0.00 175.22 175.41 3gdk s LEU 87 N -2.37 3.84 -0.13 -1.99 1.43 -0.86 -4.66 118.68 113.93 3gdk s LEU 87 Ca -0.01 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3gdk s LEU 87 Cb 0.01 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3gdk s LEU 87 CO -0.07 -0.52 0.02 -0.76 0.23 0.00 0.00 176.35 175.25 3gdk s LEU 88 N -4.39 3.62 -0.25 1.79 1.43 -1.26 -1.02 118.68 118.60 3gdk s LEU 88 Ca 0.45 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3gdk s LEU 88 Cb -0.10 -1.86 0.08 0.00 0.03 0.00 0.00 46.19 44.34 3gdk s LEU 88 CO 0.35 0.28 0.05 0.12 0.23 0.00 0.00 176.35 177.39 3gdk s PHE 89 N -0.31 1.48 0.03 0.29 5.36 0.18 -1.43 117.98 123.59 3gdk s PHE 89 Ca 0.07 -1.35 -0.29 0.00 -0.96 0.00 0.00 56.93 54.40 3gdk s PHE 89 Cb -0.12 -1.39 -0.04 0.00 -0.34 0.00 0.00 43.02 41.13 3gdk s PHE 89 CO 0.02 -0.75 0.93 -2.00 -1.46 0.00 0.00 175.22 171.96 3gdk s GLU 90 N 1.70 4.58 0.34 10.12 2.56 -0.90 -0.92 118.70 136.19 3gdk s GLU 90 Ca 0.03 1.35 0.13 0.00 0.00 0.00 0.00 54.97 56.49 3gdk s GLU 90 Cb -0.17 -3.43 0.62 0.00 2.00 0.00 0.00 34.13 33.15 3gdk s GLU 90 CO -0.16 0.06 1.75 0.22 -0.56 0.00 0.00 175.26 176.57 3gdk h ASP 91 N 6.37 0.00 -0.33 -1.70 3.58 -1.24 -3.38 116.42 119.72 3gdk h ASP 91 Ca -0.42 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.54 3gdk h ASP 91 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 3gdk h ASP 91 CO 0.74 0.45 0.58 -1.14 -2.88 0.00 0.00 179.24 176.98 3gdk n ARG 92 N -3.89 0.00 -2.81 0.28 3.00 -1.26 -4.76 116.66 107.21 3gdk n ARG 92 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.40 3gdk n ARG 92 Cb 0.49 -0.89 -0.01 0.00 0.00 0.00 0.00 32.46 32.04 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 2.57 3.83 0.30 -0.14 1.02 -1.26 -4.39 119.74 121.68 3gdk s LYS 93 Ca 0.66 -1.97 -0.29 0.00 0.02 0.00 0.00 55.97 54.39 3gdk s LYS 93 Cb -0.89 -5.15 -0.13 0.00 -0.52 0.00 0.00 37.83 31.14 3gdk s LYS 93 CO 0.44 -1.93 1.31 1.19 -0.92 0.00 0.00 175.35 175.45 3gdk n PHE 94 N 6.97 2.17 -2.74 3.18 3.72 -1.12 -4.72 117.46 124.92 3gdk n PHE 94 Ca 0.34 0.52 -0.09 0.00 -0.05 0.00 0.00 57.45 58.17 3gdk n PHE 94 Cb 0.47 -2.42 0.07 0.00 -0.94 0.00 0.00 39.48 36.65 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 0.91 1.91 -3.59 4.37 0.00 -1.26 -0.91 120.51 121.94 3gdk n ALA 95 Ca 0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 53.44 51.25 3gdk n ALA 95 Cb 0.34 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.28 -3.40 0.00 -0.08 -1.26 -4.92 116.55 105.41 3gdk n ASP 96 Ca 0.05 -2.14 -0.21 0.00 -1.51 0.00 0.00 54.79 50.99 3gdk n ASP 96 Cb 0.80 2.20 -0.07 0.00 2.34 0.00 0.00 41.12 46.40 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 -0.37 0.00 -4.99 5.18 -5.35 -1.26 -4.26 119.36 108.32 3gdk n ILE 97 Ca -0.03 -2.19 0.00 0.00 -0.27 0.00 0.00 62.75 60.26 3gdk n ILE 97 Cb 0.39 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 -0.56 1.00 0.26 3.28 0.00 -1.26 -2.68 105.19 105.23 3gdk n GLY 98 Ca -0.00 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 4.94 0.00 0.49 1.61 2.35 -1.98 -1.91 115.58 121.08 3gdk h ASN 99 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3gdk h ASN 99 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gdk h ASN 99 CO 0.00 0.10 -0.23 0.74 -1.65 0.00 0.00 177.43 176.39 3gdk h THR 100 N 0.00 0.52 -0.35 2.81 2.02 -1.97 -0.88 112.91 115.06 3gdk h THR 100 Ca -0.00 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 3gdk h THR 100 Cb 0.26 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3gdk h THR 100 CO 0.01 0.01 -0.29 1.62 0.37 0.00 0.00 175.52 177.24 3gdk h VAL 101 N -0.70 1.28 -0.43 3.16 3.04 -1.28 -1.97 116.25 119.35 3gdk h VAL 101 Ca -0.07 -1.43 0.04 0.00 -1.01 0.00 0.00 66.70 64.23 3gdk h VAL 101 Cb 0.52 1.33 -0.04 0.00 -2.01 0.00 0.00 31.29 31.09 3gdk h VAL 101 CO 0.11 0.47 0.21 0.11 -1.01 0.00 0.00 177.57 177.46 3gdk h LYS 102 N 0.63 0.42 -0.01 4.17 1.57 -1.27 -2.15 116.57 119.91 3gdk h LYS 102 Ca 0.07 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 3gdk h LYS 102 Cb 0.81 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3gdk h LYS 102 CO 0.07 0.28 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.50 3gdk h LEU 103 N 0.43 0.07 -1.67 2.94 3.38 -1.04 0.15 115.31 119.57 3gdk h LEU 103 Ca 0.19 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3gdk h LEU 103 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gdk h LEU 103 CO -0.13 0.70 -0.18 1.56 0.09 0.00 0.00 178.44 180.48 3gdk h GLN 104 N 0.04 0.00 0.11 1.13 4.20 -1.02 0.59 115.11 120.17 3gdk h GLN 104 Ca -0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 3gdk h GLN 104 Cb 1.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3gdk h GLN 104 CO 0.09 0.18 -2.00 0.98 -0.67 0.00 0.00 178.83 177.41 3gdk n TYR 105 N -3.71 1.18 -0.06 2.96 9.36 -0.84 -4.61 117.16 121.45 3gdk n TYR 105 Ca -0.02 0.26 -0.12 0.00 3.32 0.00 0.00 57.90 61.35 3gdk n TYR 105 Cb 0.29 -1.15 -0.15 0.00 -0.63 0.00 0.00 39.34 37.71 3gdk n TYR 105 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gdk n SER 106 N -3.51 0.81 0.00 2.98 3.41 0.49 -0.21 113.62 117.59 3gdk n SER 106 Ca -0.33 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3gdk n SER 106 Cb 1.03 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 -2.76 0.00 -0.61 7.33 0.00 0.19 -4.31 120.51 120.35 3gdk n ALA 107 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3gdk n ALA 107 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.09 0.07 0.00 0.00 -1.26 -0.90 105.19 107.02 3gdk n GLY 108 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 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 1.62 -0.06 1.61 -1.51 -1.97 -3.34 116.25 112.61 3gdk h VAL 109 Ca 0.00 -3.28 -0.18 0.00 -1.23 0.00 0.00 66.70 62.01 3gdk h VAL 109 Cb 0.00 2.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 3gdk h VAL 109 CO 0.00 0.92 -0.74 1.88 -1.23 0.00 0.00 177.57 178.40 3gdk h TYR 110 N 0.00 0.49 -6.96 5.19 0.05 -1.96 -3.46 116.97 110.31 3gdk h TYR 110 Ca -0.01 -0.22 -0.59 0.00 0.05 0.00 0.00 58.73 57.96 3gdk h TYR 110 Cb 1.72 -0.07 -0.18 0.00 1.01 0.00 0.00 36.73 39.21 3gdk h TYR 110 CO 0.00 0.98 -0.95 0.54 -1.05 0.00 0.00 178.16 177.67 3gdk n ARG 111 N -3.82 -1.46 -0.23 4.88 1.74 -0.08 -4.81 116.66 112.89 3gdk n ARG 111 Ca -0.04 0.16 0.02 0.00 -0.77 0.00 0.00 57.85 57.22 3gdk n ARG 111 Cb 0.71 -3.80 0.11 0.00 -1.02 0.00 0.00 32.46 28.46 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 -1.79 0.36 -0.74 0.55 2.04 -1.71 -1.41 117.51 114.82 3gdk h ILE 112 Ca -0.65 -0.02 0.21 0.00 1.00 0.00 0.00 64.86 65.40 3gdk h ILE 112 Cb 1.39 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3gdk h ILE 112 CO 0.69 0.01 0.55 0.00 0.00 0.00 0.00 178.15 179.40 3gdk h ALA 113 N 1.66 2.68 0.00 1.87 0.00 -0.87 -0.35 119.26 124.25 3gdk h ALA 113 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3gdk h ALA 113 Cb 0.59 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gdk h ALA 113 CO -0.65 -0.93 -0.06 0.93 0.00 0.00 0.00 179.25 178.55 3gdk h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.52 -3.37 114.58 114.77 3gdk h GLU 114 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3gdk h GLU 114 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 3gdk h GLU 114 CO -0.00 0.06 -0.15 -2.67 -1.00 0.00 0.00 179.01 175.25 3gdk n TRP 115 N -3.27 0.00 -2.82 4.33 4.27 -0.68 -5.04 117.44 114.23 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 0.25 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.16 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 -0.31 3.24 0.20 -1.67 0.00 -0.23 -4.78 121.76 118.21 3gdk s ALA 116 Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 3gdk s ALA 116 Cb 0.00 -3.64 0.16 0.00 0.00 0.00 0.00 23.12 19.64 3gdk s ALA 116 CO 0.00 -2.05 1.85 -0.44 0.00 0.00 0.00 175.76 175.13 3gdk h ASP 117 N 9.06 0.72 -4.30 0.00 3.32 -1.58 -3.44 116.42 120.20 3gdk h ASP 117 Ca -0.24 -0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.25 3gdk h ASP 117 Cb 1.08 -0.16 -0.26 0.00 0.22 0.00 0.00 39.33 40.20 3gdk h ASP 117 CO 1.03 0.51 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.59 3gdk s ILE 118 N -6.13 1.51 0.30 0.35 1.01 -0.51 -1.27 121.20 116.46 3gdk s ILE 118 Ca -0.13 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.48 3gdk s ILE 118 Cb 0.15 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3gdk s ILE 118 CO 0.76 0.21 0.16 0.42 0.00 0.00 0.00 174.94 176.50 3gdk s THR 119 N -0.72 0.33 0.05 2.92 -4.23 -1.00 -2.12 115.64 110.86 3gdk s THR 119 Ca 0.06 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3gdk s THR 119 Cb -0.08 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 3gdk s THR 119 CO 0.01 0.00 -0.06 0.54 -0.54 0.00 0.00 174.62 174.57 3gdk s ASN 120 N -3.37 0.73 0.02 3.99 2.20 -1.26 -1.15 114.94 116.10 3gdk s ASN 120 Ca 0.36 -0.65 -0.00 0.00 -0.94 0.00 0.00 52.86 51.63 3gdk s ASN 120 Cb 0.05 0.07 -0.02 0.00 -2.00 0.00 0.00 41.25 39.36 3gdk s ASN 120 CO 0.17 -0.30 -0.02 0.00 -2.94 0.00 0.00 177.10 174.01 3gdk s ALA 121 N -1.97 0.10 0.08 3.54 0.00 -0.04 -2.78 121.76 120.69 3gdk s ALA 121 Ca -0.07 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 3gdk s ALA 121 Cb -0.06 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3gdk s ALA 121 CO -0.02 -0.15 0.93 -1.01 0.00 0.00 0.00 175.76 175.52 3gdk s HIS 122 N -1.32 3.77 -1.33 0.00 3.76 -0.08 -1.19 115.29 118.90 3gdk s HIS 122 Ca -0.14 1.73 0.28 0.00 -0.15 0.00 0.00 55.06 56.77 3gdk s HIS 122 Cb -0.09 -3.03 1.05 0.00 1.11 0.00 0.00 32.58 31.62 3gdk s HIS 122 CO -0.01 0.18 1.76 0.41 -0.85 0.00 0.00 174.74 176.24 3gdk n GLY 123 N 2.39 -1.15 0.43 -2.22 0.00 -1.26 -4.21 105.19 99.17 3gdk n GLY 123 Ca 0.02 -0.25 0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 0.30 0.54 0.00 1.61 3.04 -1.94 0.66 116.25 120.46 3gdk h VAL 124 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3gdk h VAL 124 Cb 0.43 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 3gdk h VAL 124 CO 0.00 0.05 0.00 1.33 -1.01 0.00 0.00 177.57 177.94 3gdk n VAL 125 N -4.49 0.22 0.00 1.51 0.24 -1.26 -5.02 118.33 109.53 3gdk n VAL 125 Ca 0.23 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3gdk n VAL 125 Cb 0.91 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 0.83 0.09 0.55 7.63 0.00 0.22 -4.56 105.19 109.95 3gdk n GLY 126 Ca 0.11 -1.88 0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.57 1.61 0.11 -1.94 -1.88 132.00 129.34 3gdk h PRO 127 Ca 0.00 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.27 3gdk h PRO 127 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3gdk h PRO 127 CO 0.00 0.00 0.42 0.78 -0.21 0.00 0.00 178.00 178.99 3gdk h GLY 128 N 0.00 0.00 1.73 -0.55 0.00 -1.95 0.26 103.07 102.57 3gdk h GLY 128 Ca 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.80 3gdk h GLY 128 CO -0.01 0.00 -0.39 1.19 0.00 0.00 0.00 176.54 177.34 3gdk h ILE 129 N 0.00 1.30 0.20 2.60 2.10 -1.51 -0.36 117.51 121.84 3gdk h ILE 129 Ca 0.27 -1.48 -0.01 0.00 1.08 0.00 0.00 64.86 64.72 3gdk h ILE 129 Cb 1.11 1.62 0.00 0.00 -1.09 0.00 0.00 36.82 38.47 3gdk h ILE 129 CO -0.00 0.45 -0.10 0.58 -1.08 0.00 0.00 178.15 178.00 3gdk h VAL 130 N 0.26 0.72 -0.45 2.19 2.07 -1.16 -2.31 116.25 117.56 3gdk h VAL 130 Ca 0.03 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3gdk h VAL 130 Cb 0.80 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3gdk h VAL 130 CO 0.06 0.18 0.17 0.77 0.02 0.00 0.00 177.57 178.77 3gdk h SER 131 N -0.89 0.59 0.03 0.57 4.64 -1.44 0.13 113.55 117.18 3gdk h SER 131 Ca -0.03 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3gdk h SER 131 Cb 0.51 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3gdk h SER 131 CO 0.05 0.54 -0.02 1.23 -0.87 0.00 0.00 176.83 177.76 3gdk h GLY 132 N 0.80 -0.05 1.50 -0.77 0.00 -1.14 -1.40 103.07 102.02 3gdk h GLY 132 Ca 0.16 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3gdk h GLY 132 CO -0.01 -0.02 -0.10 1.41 0.00 0.00 0.00 176.54 177.82 3gdk h LEU 133 N -0.41 0.59 -0.17 3.11 3.38 -1.21 -1.92 115.31 118.68 3gdk h LEU 133 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3gdk h LEU 133 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3gdk h LEU 133 CO 0.01 0.72 0.07 0.50 0.09 0.00 0.00 178.44 179.83 3gdk h LYS 134 N 0.56 0.25 -0.66 1.13 3.64 -0.69 -1.17 116.57 119.63 3gdk h LYS 134 Ca 0.10 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3gdk h LYS 134 Cb 0.50 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3gdk h LYS 134 CO 0.03 0.33 0.20 0.37 -2.27 0.00 0.00 179.45 178.10 3gdk h GLN 135 N 0.13 1.02 -0.64 1.90 4.15 -1.08 -1.88 115.11 118.71 3gdk h GLN 135 Ca 0.06 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.18 3gdk h GLN 135 Cb 0.17 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3gdk h GLN 135 CO -0.00 0.88 0.05 0.00 -1.93 0.00 0.00 178.83 177.83 3gdk h ALA 136 N 1.23 0.88 -0.45 3.38 0.00 -1.16 -1.62 119.26 121.52 3gdk h ALA 136 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gdk h ALA 136 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gdk h ALA 136 CO -0.01 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.17 3gdk h ALA 137 N 1.03 0.57 -0.69 0.00 0.00 -0.88 -0.81 119.26 118.49 3gdk h ALA 137 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gdk h ALA 137 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gdk h ALA 137 CO 0.02 0.09 0.34 0.93 0.00 0.00 0.00 179.25 180.63 3gdk h GLU 138 N 0.59 0.97 0.00 0.00 5.08 -1.07 -1.67 114.58 118.48 3gdk h GLU 138 Ca 0.16 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 3gdk h GLU 138 Cb 0.04 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3gdk h GLU 138 CO -0.03 0.74 -0.81 0.93 -1.00 0.00 0.00 179.01 178.84 3gdk h GLU 139 N 0.97 0.00 0.24 2.33 5.08 -0.97 -3.34 114.58 118.88 3gdk h GLU 139 Ca 0.24 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.28 3gdk h GLU 139 Cb 0.08 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.37 3gdk h GLU 139 CO -0.03 0.81 -1.43 0.28 -1.00 0.00 0.00 179.01 177.64 3gdk h VAL 140 N 0.00 1.28 -3.27 3.13 2.07 -0.87 -3.49 116.25 115.10 3gdk h VAL 140 Ca -0.01 -2.67 -0.04 0.00 0.82 0.00 0.00 66.70 64.81 3gdk h VAL 140 Cb 1.48 3.05 -0.12 0.00 -1.52 0.00 0.00 31.29 34.17 3gdk h VAL 140 CO 0.11 0.80 0.02 0.28 0.02 0.00 0.00 177.57 178.79 3gdk s THR 141 N -2.58 0.05 -1.31 2.57 -1.32 -0.65 -4.96 115.64 107.44 3gdk s THR 141 Ca -0.10 -0.42 0.23 0.00 -1.21 0.00 0.00 61.69 60.18 3gdk s THR 141 Cb 0.04 -1.15 -0.09 0.00 -1.51 0.00 0.00 72.50 69.78 3gdk s THR 141 CO 0.93 -0.21 1.09 2.29 -2.21 0.00 0.00 174.62 176.51 3gdk n LYS 142 N -0.28 0.36 -2.03 7.08 -0.00 -1.26 -4.35 118.16 117.68 3gdk n LYS 142 Ca -0.16 -0.28 -0.39 0.00 -0.00 0.00 0.00 58.31 57.49 3gdk n LYS 142 Cb 0.64 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 34.18 3gdk n LYS 142 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3gdk s GLU 143 N -2.83 3.71 0.29 -1.58 0.41 -1.26 -4.92 118.70 112.52 3gdk s GLU 143 Ca 0.12 2.09 -0.29 0.00 -0.41 0.00 0.00 54.97 56.48 3gdk s GLU 143 Cb 0.17 -2.55 -0.13 0.00 -1.78 0.00 0.00 34.13 29.85 3gdk s GLU 143 CO 0.74 -0.68 1.35 -2.30 -0.49 0.00 0.00 175.26 173.87 3gdk n PRO 144 N -0.31 2.10 -4.05 0.39 -0.02 -1.26 -5.01 135.00 126.83 3gdk n PRO 144 Ca 0.06 0.74 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3gdk n PRO 144 Cb 0.45 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.18 0.36 0.13 -0.52 1.81 -1.26 -4.82 118.95 113.48 3gdk s ARG 145 Ca 0.61 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.25 3gdk s ARG 145 Cb -0.60 -0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 33.63 3gdk s ARG 145 CO 0.56 0.05 0.01 0.20 -0.68 0.00 0.00 175.30 175.44 3gdk s GLY 146 N -0.71 0.98 0.01 -3.53 0.00 -0.40 -4.79 107.32 98.89 3gdk s GLY 146 Ca -0.04 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.23 3gdk s GLY 146 CO -0.00 -1.43 -0.08 -2.27 0.00 0.00 0.00 173.10 169.32 3gdk s LEU 147 N -3.08 2.08 -0.04 0.66 2.96 -0.23 -2.39 118.68 118.64 3gdk s LEU 147 Ca 0.20 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3gdk s LEU 147 Cb 0.07 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 3gdk s LEU 147 CO 0.00 0.03 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.12 3gdk s LEU 148 N -0.54 2.52 -0.05 -0.68 1.43 -0.30 -1.20 118.68 119.86 3gdk s LEU 148 Ca 0.00 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 3gdk s LEU 148 Cb -0.05 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3gdk s LEU 148 CO 0.00 0.33 0.34 -0.04 0.23 0.00 0.00 176.35 177.21 3gdk s MET 149 N -0.65 3.88 -1.19 1.70 -1.94 -0.61 -0.86 119.30 119.63 3gdk s MET 149 Ca 0.10 0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 54.16 3gdk s MET 149 Cb -0.11 -3.25 0.11 0.00 2.01 0.00 0.00 34.83 33.59 3gdk s MET 149 CO 0.00 0.62 1.53 -0.51 -0.01 0.00 0.00 175.02 176.65 3gdk s LEU 150 N -0.76 4.32 0.20 -0.03 1.43 -0.33 -1.76 118.68 121.75 3gdk s LEU 150 Ca 0.21 -2.44 0.09 0.00 -1.03 0.00 0.00 54.13 50.96 3gdk s LEU 150 Cb -0.15 -2.50 0.07 0.00 0.03 0.00 0.00 46.19 43.64 3gdk s LEU 150 CO 0.10 -1.07 1.44 0.00 0.23 0.00 0.00 176.35 177.05 3gdk h ALA 151 N 7.89 0.65 -3.13 4.21 0.00 -1.84 -3.42 119.26 123.62 3gdk h ALA 151 Ca 0.34 -0.72 -0.38 0.00 0.00 0.00 0.00 54.91 54.15 3gdk h ALA 151 Cb 0.91 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.18 3gdk h ALA 151 CO 1.35 0.99 -0.71 -1.21 0.00 0.00 0.00 179.25 179.66 3gdk s GLU 152 N -3.12 0.01 0.38 0.00 2.02 -1.19 -4.26 118.70 112.54 3gdk s GLU 152 Ca 0.00 0.26 -0.01 0.00 0.02 0.00 0.00 54.97 55.24 3gdk s GLU 152 Cb 0.11 -0.93 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 3gdk s GLU 152 CO 0.79 -0.46 0.61 -0.51 0.02 0.00 0.00 175.26 175.71 3gdk s LEU 153 N 2.20 3.90 0.00 1.80 1.43 -1.26 -4.51 118.68 122.24 3gdk s LEU 153 Ca 0.04 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 3gdk s LEU 153 Cb -0.14 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 3gdk s LEU 153 CO -0.06 -0.39 0.36 -1.20 0.23 0.00 0.00 176.35 175.29 3gdk n SER 154 N -1.91 0.67 -4.76 2.29 7.64 -1.26 -4.92 113.62 111.37 3gdk n SER 154 Ca -0.03 -0.84 -0.34 0.00 1.01 0.00 0.00 58.87 58.68 3gdk n SER 154 Cb 0.56 0.57 0.05 0.00 -1.01 0.00 0.00 64.21 64.38 3gdk n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gdk s LYS 156 N -3.97 4.13 -0.83 0.00 2.20 -1.26 -2.46 119.74 117.57 3gdk s LYS 156 Ca 0.69 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.88 3gdk s LYS 156 Cb -0.23 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3gdk s LYS 156 CO 0.41 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 3gdk n GLY 157 N 3.78 0.95 3.72 5.54 0.00 -1.26 -4.99 105.19 112.93 3gdk n GLY 157 Ca 0.15 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.68 3.98 -0.18 1.61 1.04 -1.03 -4.94 113.70 111.50 3gdk s SER 158 Ca 0.00 2.26 0.16 0.00 0.48 0.00 0.00 55.95 58.84 3gdk s SER 158 Cb 0.00 -2.58 0.67 0.00 0.10 0.00 0.00 66.02 64.21 3gdk s SER 158 CO 0.00 -2.40 1.58 0.18 0.98 0.00 0.00 173.24 173.58 3gdk n LEU 159 N -3.11 4.74 -3.90 2.42 4.77 -1.26 -4.81 117.00 115.85 3gdk n LEU 159 Ca 0.13 -2.85 -0.42 0.00 -0.03 0.00 0.00 56.01 52.84 3gdk n LEU 159 Cb 0.51 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3gdk n LEU 159 CO 0.48 0.68 2.43 0.00 -1.33 0.00 0.00 177.39 179.65 3gdk n ALA 160 N 0.24 4.71 -1.43 -1.18 0.00 -1.26 -4.80 120.51 116.79 3gdk n ALA 160 Ca 0.24 -3.76 -0.09 0.00 0.00 0.00 0.00 53.44 49.83 3gdk n ALA 160 Cb 1.00 -3.57 0.09 0.00 0.00 0.00 0.00 19.45 16.97 3gdk n ALA 160 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gdk n THR 161 N 5.57 0.00 -0.18 0.00 -2.24 -1.26 -4.65 114.28 111.51 3gdk n THR 161 Ca 0.51 -0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3gdk n THR 161 Cb 0.41 -1.77 0.15 0.00 -2.10 0.00 0.00 70.33 67.02 3gdk n THR 161 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gdk h GLY 162 N -0.73 1.02 1.63 3.38 0.00 -1.96 0.13 103.07 106.54 3gdk h GLY 162 Ca -0.18 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 46.38 3gdk h GLY 162 CO 0.13 0.55 -0.71 0.83 0.00 0.00 0.00 176.54 177.34 3gdk h GLU 163 N 0.92 0.36 -0.22 4.80 4.39 -1.96 -0.04 114.58 122.83 3gdk h GLU 163 Ca 0.20 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 3gdk h GLU 163 Cb 0.29 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3gdk h GLU 163 CO -0.01 0.93 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.82 3gdk h TYR 164 N 0.25 0.46 -0.83 4.33 3.20 -1.81 0.31 116.97 122.89 3gdk h TYR 164 Ca -0.03 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 3gdk h TYR 164 Cb 1.28 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 3gdk h TYR 164 CO 0.04 0.63 0.50 1.15 -1.64 0.00 0.00 178.16 178.84 3gdk h THR 165 N 0.16 1.23 0.15 1.81 2.02 -0.90 0.34 112.91 117.72 3gdk h THR 165 Ca 0.06 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3gdk h THR 165 Cb 0.47 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3gdk h THR 165 CO 0.02 0.24 -0.07 0.50 0.37 0.00 0.00 175.52 176.57 3gdk h LYS 166 N 1.13 -0.20 -0.58 6.66 3.11 -0.79 0.17 116.57 126.08 3gdk h LYS 166 Ca 0.30 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 3gdk h LYS 166 Cb -0.05 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.19 3gdk h LYS 166 CO -0.06 -0.10 0.37 0.78 -2.81 0.00 0.00 179.45 177.63 3gdk h GLY 167 N -0.24 0.83 1.05 5.01 0.00 -0.39 -1.19 103.07 108.13 3gdk h GLY 167 Ca -0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 3gdk h GLY 167 CO 0.03 0.31 -0.19 -0.84 0.00 0.00 0.00 176.54 175.86 3gdk h THR 168 N 0.80 1.28 -0.83 4.70 2.02 0.21 -2.13 112.91 118.96 3gdk h THR 168 Ca 0.21 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 3gdk h THR 168 Cb -0.07 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3gdk h THR 168 CO -0.04 0.45 0.44 0.58 0.37 0.00 0.00 175.52 177.32 3gdk h VAL 169 N 0.71 1.25 -0.53 3.16 2.07 0.04 -1.06 116.25 121.89 3gdk h VAL 169 Ca 0.10 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 3gdk h VAL 169 Cb 0.75 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3gdk h VAL 169 CO 0.06 0.28 0.05 0.44 0.02 0.00 0.00 177.57 178.42 3gdk h ASP 170 N 1.17 0.81 -0.55 0.57 3.32 -1.00 -1.78 116.42 118.96 3gdk h ASP 170 Ca 0.29 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3gdk h ASP 170 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3gdk h ASP 170 CO -0.04 0.85 0.02 0.40 -1.72 0.00 0.00 179.24 178.74 3gdk h ILE 171 N 0.80 1.26 -0.91 0.35 2.04 -0.81 -2.67 117.51 117.57 3gdk h ILE 171 Ca 0.16 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3gdk h ILE 171 Cb 0.41 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3gdk h ILE 171 CO 0.01 0.39 0.60 0.00 0.00 0.00 0.00 178.15 179.15 3gdk h ALA 172 N 0.97 1.45 0.00 1.87 0.00 -0.70 -1.03 119.26 121.81 3gdk h ALA 172 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gdk h ALA 172 Cb 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gdk h ALA 172 CO 0.02 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.35 3gdk n LYS 173 N -4.46 0.13 0.08 0.00 5.02 -0.72 -2.39 118.16 115.82 3gdk n LYS 173 Ca 0.13 0.52 0.11 0.00 -2.02 0.00 0.00 58.31 57.05 3gdk n LYS 173 Cb 0.13 -1.83 0.44 0.00 -0.02 0.00 0.00 35.03 33.75 3gdk n LYS 173 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gdk n SER 174 N -2.08 0.47 -3.16 4.39 3.41 -0.39 -4.46 113.62 111.78 3gdk n SER 174 Ca 0.00 0.59 0.01 0.00 -0.26 0.00 0.00 58.87 59.21 3gdk n SER 174 Cb 0.10 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.34 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 -3.87 -1.52 0.00 4.04 -1.08 -1.01 -4.99 116.67 108.24 3gdk s ASP 175 Ca 0.07 -0.86 0.24 0.00 -0.52 0.00 0.00 52.55 51.48 3gdk s ASP 175 Cb 0.11 1.95 1.14 0.00 -1.46 0.00 0.00 42.92 44.66 3gdk s ASP 175 CO 0.41 -0.16 1.80 2.29 0.52 0.00 0.00 175.17 180.03 3gdk n LYS 176 N 4.28 0.19 0.13 4.34 2.85 -1.26 -1.00 118.16 127.69 3gdk n LYS 176 Ca 0.12 0.07 -0.24 0.00 -1.05 0.00 0.00 58.31 57.21 3gdk n LYS 176 Cb 0.57 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.30 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 0.84 0.00 -5.58 3.45 -1.94 -3.40 116.42 109.80 3gdk h ASP 177 Ca 0.00 -0.86 -0.36 0.00 0.43 0.00 0.00 57.03 56.23 3gdk h ASP 177 Cb 0.32 -0.27 -0.07 0.00 -0.56 0.00 0.00 39.33 38.75 3gdk h ASP 177 CO 0.00 1.67 -2.37 0.33 -1.57 0.00 0.00 179.24 177.30 3gdk n PHE 178 N -3.73 0.00 -2.89 4.55 7.35 -1.15 -4.38 117.46 117.21 3gdk n PHE 178 Ca -0.16 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.10 3gdk n PHE 178 Cb 1.07 -0.94 -0.05 0.00 0.35 0.00 0.00 39.48 39.91 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 -2.48 4.52 -2.33 -2.13 1.01 -0.17 -1.07 120.40 117.75 3gdk s VAL 179 Ca -0.29 0.39 0.25 0.00 0.00 0.00 0.00 61.98 62.34 3gdk s VAL 179 Cb 0.08 -4.43 0.26 0.00 0.00 0.00 0.00 36.38 32.29 3gdk s VAL 179 CO 0.60 -0.91 1.43 2.30 0.00 0.00 0.00 175.10 178.53 3gdk n ILE 180 N 6.20 0.00 -3.35 2.22 -5.35 -0.34 -4.57 119.36 114.17 3gdk n ILE 180 Ca 0.03 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3gdk n ILE 180 Cb 0.48 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 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 1.32 -0.37 3.21 3.28 0.00 -1.24 -0.94 105.19 110.44 3gdk n GLY 181 Ca 0.14 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.09 1.09 -0.44 1.61 0.08 -0.11 -1.57 117.98 115.55 3gdk s PHE 182 Ca 0.00 -0.91 -0.14 0.00 0.12 0.00 0.00 56.93 56.00 3gdk s PHE 182 Cb 0.00 -0.61 0.06 0.00 -0.57 0.00 0.00 43.02 41.90 3gdk s PHE 182 CO 0.00 -0.11 0.34 0.42 -0.10 0.00 0.00 175.22 175.76 3gdk s ILE 183 N -3.56 5.00 0.25 0.64 -1.09 -0.72 -1.27 121.20 120.45 3gdk s ILE 183 Ca 0.17 -1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 57.46 3gdk s ILE 183 Cb 0.05 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3gdk s ILE 183 CO -0.01 -0.48 0.44 0.00 -1.23 0.00 0.00 174.94 173.66 3gdk s ALA 184 N 1.60 0.04 -1.69 9.38 0.00 -0.80 -2.82 121.76 127.47 3gdk s ALA 184 Ca 0.04 -1.05 0.21 0.00 0.00 0.00 0.00 51.96 51.16 3gdk s ALA 184 Cb -0.23 1.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 3gdk s ALA 184 CO 0.07 -0.82 1.00 1.04 0.00 0.00 0.00 175.76 177.04 3gdk n GLN 185 N -0.39 1.08 -3.94 0.00 1.13 -1.26 -4.07 117.38 109.92 3gdk n GLN 185 Ca -0.01 -0.73 -0.09 0.00 -1.94 0.00 0.00 57.00 54.23 3gdk n GLN 185 Cb 0.62 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.50 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 -2.50 1.76 0.29 -1.09 1.70 -1.26 -4.93 118.95 112.92 3gdk s ARG 186 Ca 0.15 -1.27 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 3gdk s ARG 186 Cb 0.17 0.53 -0.11 0.00 -0.57 0.00 0.00 34.95 34.97 3gdk s ARG 186 CO 0.61 -0.77 1.52 0.34 -1.08 0.00 0.00 175.30 175.92 3gdk s ASP 187 N -3.02 6.47 -0.01 -2.89 2.15 -1.23 -4.92 116.67 113.21 3gdk s ASP 187 Ca 0.19 2.86 0.18 0.00 0.43 0.00 0.00 52.55 56.22 3gdk s ASP 187 Cb -0.03 -2.64 0.54 0.00 -0.30 0.00 0.00 42.92 40.50 3gdk s ASP 187 CO 0.10 -0.83 1.45 0.23 -0.17 0.00 0.00 175.17 175.96 3gdk n MET 188 N 1.98 2.87 0.00 4.34 2.81 -1.26 -5.08 117.12 122.78 3gdk n MET 188 Ca 0.07 -2.49 0.00 0.00 -1.81 0.00 0.00 57.70 53.46 3gdk n MET 188 Cb 0.39 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.20 1.76 1.29 3.03 0.00 -1.26 -4.94 105.19 106.27 3gdk n GLY 189 Ca 0.20 -0.59 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 3.21 0.34 -0.02 0.00 -1.26 -4.74 105.19 102.72 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 1.75 0.30 0.00 1.61 3.08 -1.91 -0.55 114.38 118.66 3gdk h ARG 191 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3gdk h ARG 191 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3gdk h ARG 191 CO 0.00 0.20 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.62 3gdk h ASP 192 N 0.31 0.00 -0.59 7.04 3.45 -1.91 -2.93 116.42 121.79 3gdk h ASP 192 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3gdk h ASP 192 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3gdk h ASP 192 CO -0.05 0.04 0.00 -0.62 -1.57 0.00 0.00 179.24 177.04 3gdk n GLU 193 N -3.13 2.66 -1.10 3.56 4.71 -0.44 -4.95 120.64 121.94 3gdk n GLU 193 Ca 0.02 -2.46 0.00 0.00 -0.01 0.00 0.00 57.16 54.70 3gdk n GLU 193 Cb 0.42 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 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 1.43 0.55 3.66 0.62 0.00 -1.00 -5.06 105.19 105.38 3gdk n GLY 194 Ca 0.21 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 3.09 -0.49 1.61 2.02 -0.34 -5.00 117.35 116.23 3gdk s TYR 195 Ca 0.00 0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 3gdk s TYR 195 Cb 0.00 -1.75 0.14 0.00 -0.40 0.00 0.00 41.96 39.96 3gdk s TYR 195 CO 0.00 0.43 0.29 0.34 -1.57 0.00 0.00 175.55 175.05 3gdk s ASP 196 N -0.99 3.74 -0.05 2.29 2.15 -1.26 -3.16 116.67 119.37 3gdk s ASP 196 Ca 0.14 -2.94 -0.18 0.00 0.43 0.00 0.00 52.55 50.00 3gdk s ASP 196 Cb -0.11 -1.17 -0.05 0.00 -0.30 0.00 0.00 42.92 41.28 3gdk s ASP 196 CO 0.04 -0.22 0.50 0.26 -0.17 0.00 0.00 175.17 175.58 3gdk s TRP 197 N -0.08 3.62 0.02 -5.34 0.51 -1.26 -4.87 118.94 111.54 3gdk s TRP 197 Ca 0.20 1.02 -0.30 0.00 -2.12 0.00 0.00 56.10 54.90 3gdk s TRP 197 Cb -0.19 -2.51 -0.05 0.00 -0.81 0.00 0.00 33.47 29.92 3gdk s TRP 197 CO -0.05 0.34 1.17 -0.51 -0.51 0.00 0.00 176.95 177.40 3gdk s LEU 198 N -0.06 4.35 -0.38 2.99 1.43 -0.12 -4.90 118.68 121.99 3gdk s LEU 198 Ca 0.27 1.92 -0.07 0.00 -1.03 0.00 0.00 54.13 55.22 3gdk s LEU 198 Cb -0.17 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.55 3gdk s LEU 198 CO 0.13 -0.47 0.18 -0.63 0.23 0.00 0.00 176.35 175.79 3gdk s ILE 199 N 1.35 3.86 -0.21 -0.59 -1.09 -1.26 -0.94 121.20 122.32 3gdk s ILE 199 Ca 0.57 -1.39 -0.08 0.00 -2.23 0.00 0.00 60.65 57.53 3gdk s ILE 199 Cb -0.27 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 3gdk s ILE 199 CO 0.27 -0.39 0.08 -0.04 -1.23 0.00 0.00 174.94 173.64 3gdk s MET 200 N 1.37 3.89 -0.13 2.79 -1.94 -0.40 -0.06 119.30 124.82 3gdk s MET 200 Ca 0.02 -0.38 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 3gdk s MET 200 Cb -0.21 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.33 3gdk s MET 200 CO 0.01 0.09 -0.20 0.99 -0.01 0.00 0.00 175.02 175.89 3gdk s THR 201 N 0.90 1.94 0.70 2.05 2.01 0.02 -1.91 115.64 121.34 3gdk s THR 201 Ca 0.04 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.14 3gdk s THR 201 Cb -0.14 -1.72 0.12 0.00 0.01 0.00 0.00 72.50 70.77 3gdk s THR 201 CO 0.03 0.53 0.96 -2.16 -0.69 0.00 0.00 174.62 173.29 3gdk s PRO 202 N 0.86 1.79 -0.77 4.92 0.04 -1.26 -0.01 135.00 140.56 3gdk s PRO 202 Ca -0.07 -1.09 -0.03 0.00 0.04 0.00 0.00 61.00 59.85 3gdk s PRO 202 Cb -0.15 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3gdk s PRO 202 CO -0.02 -1.35 0.41 0.41 0.04 0.00 0.00 177.00 176.49 3gdk n GLY 203 N -2.76 0.10 3.50 0.56 0.00 -1.25 -4.90 105.19 100.44 3gdk n GLY 203 Ca 0.14 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.96 3.75 0.00 1.61 1.01 -1.26 -1.30 120.40 121.26 3gdk s VAL 204 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3gdk s VAL 204 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3gdk s VAL 204 CO 0.25 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3gdk n GLY 205 N 3.21 0.11 0.00 4.51 0.00 -1.26 -4.75 105.19 107.00 3gdk n GLY 205 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.72 0.00 -1.81 1.61 1.74 -0.42 -4.66 116.66 112.40 3gdk n ARG 218 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3gdk n ARG 218 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 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 4.13 0.09 0.55 -4.23 -1.26 -4.92 115.64 109.99 3gdk s THR 219 Ca 0.00 0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 60.94 3gdk s THR 219 Cb 0.00 -3.63 -0.15 0.00 1.34 0.00 0.00 72.50 70.06 3gdk s THR 219 CO 0.00 -0.90 1.69 0.58 -0.54 0.00 0.00 174.62 175.45 3gdk h VAL 220 N -0.53 0.73 -0.88 2.29 2.07 -1.94 -2.42 116.25 115.57 3gdk h VAL 220 Ca -0.44 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.20 3gdk h VAL 220 Cb 1.22 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 3gdk h VAL 220 CO 0.62 0.00 0.50 0.44 0.02 0.00 0.00 177.57 179.15 3gdk h ASP 221 N -0.33 0.69 0.48 0.57 3.32 -1.94 -1.63 116.42 117.58 3gdk h ASP 221 Ca -0.02 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3gdk h ASP 221 Cb 0.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3gdk h ASP 221 CO 0.03 0.35 -0.23 -0.78 -1.72 0.00 0.00 179.24 176.88 3gdk h ASP 222 N 0.78 -0.54 -0.59 6.45 3.58 -1.88 -1.24 116.42 122.98 3gdk h ASP 222 Ca 0.45 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.81 3gdk h ASP 222 Cb 0.52 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 3gdk h ASP 222 CO -0.30 -0.37 -0.03 -0.37 -2.88 0.00 0.00 179.24 175.30 3gdk h VAL 223 N -0.66 1.27 -0.38 2.25 -1.51 -1.14 -2.43 116.25 113.65 3gdk h VAL 223 Ca -0.07 -1.18 -0.10 0.00 -1.23 0.00 0.00 66.70 64.12 3gdk h VAL 223 Cb 0.50 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 3gdk h VAL 223 CO 0.11 0.43 -0.17 0.58 -1.23 0.00 0.00 177.57 177.29 3gdk h VAL 224 N 0.96 1.26 0.00 7.19 2.07 -1.32 -0.83 116.25 125.58 3gdk h VAL 224 Ca 0.17 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 3gdk h VAL 224 Cb 0.59 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3gdk h VAL 224 CO 0.04 0.41 -0.33 0.28 0.02 0.00 0.00 177.57 177.99 3gdk h SER 225 N 0.63 0.00 0.11 0.57 0.02 -1.05 -2.81 113.55 111.03 3gdk h SER 225 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3gdk h SER 225 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3gdk h SER 225 CO 0.04 0.33 -0.10 0.35 -1.14 0.00 0.00 176.83 176.31 3gdk n THR 226 N -3.74 0.00 0.00 -2.27 -2.24 -0.93 -4.92 114.28 100.18 3gdk n THR 226 Ca -0.01 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3gdk n THR 226 Cb 0.42 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.23 0.94 3.73 3.38 0.00 -1.06 -3.57 105.19 109.84 3gdk n GLY 227 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.57 6.64 -0.09 1.61 0.01 -0.34 -4.71 113.70 116.24 3gdk s SER 228 Ca 0.00 2.62 0.12 0.00 1.31 0.00 0.00 55.95 60.00 3gdk s SER 228 Cb 0.00 -2.61 -0.24 0.00 0.21 0.00 0.00 66.02 63.39 3gdk s SER 228 CO 0.00 -0.74 0.47 0.47 0.41 0.00 0.00 173.24 173.84 3gdk n ASP 229 N 3.09 0.78 -3.94 2.44 8.00 0.92 -4.51 116.55 123.33 3gdk n ASP 229 Ca 0.10 0.28 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 3gdk n ASP 229 Cb 0.40 0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.47 -0.23 0.53 1.01 -0.71 -4.81 121.20 114.89 3gdk s ILE 230 Ca -0.08 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3gdk s ILE 230 Cb 0.07 -0.43 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 3gdk s ILE 230 CO 0.82 0.16 0.17 0.27 0.00 0.00 0.00 174.94 176.36 3gdk s ILE 231 N 0.20 5.36 -0.34 2.92 -4.36 -0.15 -0.80 121.20 124.03 3gdk s ILE 231 Ca -0.02 0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.47 3gdk s ILE 231 Cb -0.06 -3.51 -0.02 0.00 1.25 0.00 0.00 42.46 40.12 3gdk s ILE 231 CO -0.00 0.36 0.24 -0.63 0.24 0.00 0.00 174.94 175.15 3gdk s ILE 232 N 0.89 5.24 -0.08 8.37 1.01 0.99 -0.59 121.20 137.03 3gdk s ILE 232 Ca 0.09 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.54 3gdk s ILE 232 Cb -0.13 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 3gdk s ILE 232 CO 0.03 -0.02 -0.24 -0.69 0.00 0.00 0.00 174.94 174.02 3gdk s VAL 233 N 1.71 2.03 0.00 2.92 1.01 -0.66 -3.93 120.40 123.49 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 -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3gdk s VAL 233 CO 0.10 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3gdk n GLY 234 N 3.28 0.77 0.52 4.51 0.00 -1.26 -1.51 105.19 111.50 3gdk n GLY 234 Ca -0.18 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 0.03 0.00 1.61 2.47 -1.99 0.16 114.38 116.66 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 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3gdk h ARG 235 CO 0.00 0.02 0.05 0.41 0.56 0.00 0.00 179.97 181.01 3gdk n GLY 236 N -1.75 -0.79 0.10 0.04 0.00 -1.26 -1.22 105.19 100.32 3gdk n GLY 236 Ca 0.26 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.16 0.33 0.00 0.99 4.77 0.57 -4.82 117.00 116.68 3gdk n LEU 237 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3gdk n LEU 237 Cb 0.08 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3gdk n LEU 237 CO 0.08 0.55 0.02 2.22 -1.33 0.00 0.00 177.39 178.92 3gdk n PHE 238 N -2.80 0.00 -2.29 -1.77 1.16 -0.88 -3.42 117.46 107.46 3gdk n PHE 238 Ca -0.34 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 54.97 3gdk n PHE 238 Cb 1.14 0.00 0.15 0.00 -1.61 0.00 0.00 39.48 39.16 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 -0.44 3.01 -1.53 1.98 0.00 -0.35 -4.09 121.76 120.34 3gdk s ALA 239 Ca 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.26 3gdk s ALA 239 Cb 0.00 -2.33 0.10 0.00 0.00 0.00 0.00 23.12 20.89 3gdk s ALA 239 CO 0.00 -2.00 0.79 1.63 0.00 0.00 0.00 175.76 176.18 3gdk n LYS 240 N -3.32 -4.27 -1.24 0.00 5.02 -1.26 -1.17 118.16 111.92 3gdk n LYS 240 Ca 0.16 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.88 3gdk n LYS 240 Cb 0.60 -5.31 -0.04 0.00 -0.02 0.00 0.00 35.03 30.26 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 -1.47 0.97 3.78 0.72 0.00 -1.26 -4.99 105.19 102.93 3gdk n GLY 241 Ca 0.04 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.43 2.53 -0.53 1.61 0.52 -0.32 -4.99 118.95 115.34 3gdk s ARG 242 Ca 0.00 1.21 -0.17 0.00 -0.52 0.00 0.00 55.73 56.25 3gdk s ARG 242 Cb 0.00 -1.93 0.09 0.00 0.52 0.00 0.00 34.95 33.64 3gdk s ARG 242 CO 0.00 -1.44 0.54 0.34 0.02 0.00 0.00 175.30 174.77 3gdk s ASP 243 N -3.17 6.18 0.40 0.23 3.68 -1.26 -4.78 116.67 117.94 3gdk s ASP 243 Ca 0.63 -1.41 0.15 0.00 2.13 0.00 0.00 52.55 54.05 3gdk s ASP 243 Cb -0.18 -2.24 1.00 0.00 -1.45 0.00 0.00 42.92 40.05 3gdk s ASP 243 CO 0.51 -0.87 1.85 0.00 0.13 0.00 0.00 175.17 176.79 3gdk h ALA 244 N 8.94 2.08 -0.11 3.66 0.00 -1.90 0.21 119.26 132.15 3gdk h ALA 244 Ca -0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gdk h ALA 244 Cb 1.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gdk h ALA 244 CO 1.00 -0.37 0.01 -0.22 0.00 0.00 0.00 179.25 179.67 3gdk h LYS 245 N 0.49 0.19 -0.22 0.00 1.63 -1.87 0.10 116.57 116.89 3gdk h LYS 245 Ca 0.47 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.20 3gdk h LYS 245 Cb 1.05 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 3gdk h LYS 245 CO -0.20 0.41 0.05 0.28 -3.45 0.00 0.00 179.45 176.54 3gdk h VAL 246 N -0.06 1.21 -0.56 2.00 2.07 -1.57 -2.74 116.25 116.60 3gdk h VAL 246 Ca 0.03 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3gdk h VAL 246 Cb 0.32 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3gdk h VAL 246 CO 0.00 0.21 0.07 -0.33 0.02 0.00 0.00 177.57 177.54 3gdk h GLU 247 N 0.17 0.90 -0.92 1.57 4.39 -0.63 -1.47 114.58 118.60 3gdk h GLU 247 Ca 0.07 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.60 3gdk h GLU 247 Cb 0.27 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 3gdk h GLU 247 CO 0.00 0.86 0.58 0.78 -1.16 0.00 0.00 179.01 180.07 3gdk h GLY 248 N 1.00 1.38 0.98 -3.84 0.00 -0.66 -0.93 103.07 101.00 3gdk h GLY 248 Ca 0.17 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 3gdk h GLY 248 CO 0.01 0.31 -0.47 -2.09 0.00 0.00 0.00 176.54 174.30 3gdk h GLU 249 N 1.07 0.66 0.01 4.80 4.57 -1.17 -1.99 114.58 122.53 3gdk h GLU 249 Ca 0.39 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3gdk h GLU 249 Cb 0.15 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3gdk h GLU 249 CO -0.17 1.07 -0.08 -0.09 -1.18 0.00 0.00 179.01 178.56 3gdk h ARG 250 N 0.34 -0.14 -0.46 1.92 2.43 -0.80 -0.68 114.38 116.98 3gdk h ARG 250 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 3gdk h ARG 250 Cb 1.08 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3gdk h ARG 250 CO 0.10 -0.10 -0.11 1.88 -1.51 0.00 0.00 179.97 180.23 3gdk h TYR 251 N -0.15 0.94 -0.09 2.20 -1.99 -1.25 -1.92 116.97 114.71 3gdk h TYR 251 Ca 0.03 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 3gdk h TYR 251 Cb 0.19 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.67 3gdk h TYR 251 CO -0.14 0.91 0.06 -0.09 -0.00 0.00 0.00 178.16 178.89 3gdk h ARG 252 N 0.77 0.13 -0.43 4.88 2.43 -1.09 0.93 114.38 121.98 3gdk h ARG 252 Ca 0.13 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3gdk h ARG 252 Cb 0.62 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3gdk h ARG 252 CO 0.04 0.13 0.27 -0.22 -1.51 0.00 0.00 179.97 178.69 3gdk h LYS 253 N 0.08 0.54 -0.58 0.20 3.64 -1.06 0.15 116.57 119.54 3gdk h LYS 253 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3gdk h LYS 253 Cb 0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3gdk h LYS 253 CO -0.01 0.36 0.28 0.00 -2.27 0.00 0.00 179.45 177.81 3gdk h ALA 254 N 1.17 0.75 -0.26 5.00 0.00 -1.10 -0.37 119.26 124.46 3gdk h ALA 254 Ca 0.17 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3gdk h ALA 254 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gdk h ALA 254 CO -0.06 0.31 -0.50 0.78 0.00 0.00 0.00 179.25 179.79 3gdk h GLY 255 N 0.80 0.80 0.90 0.00 0.00 -0.55 -2.24 103.07 102.78 3gdk h GLY 255 Ca 0.20 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 3gdk h GLY 255 CO -0.03 0.80 -0.23 -0.25 0.00 0.00 0.00 176.54 176.83 3gdk h TRP 256 N 0.57 0.72 -0.68 5.60 2.91 -0.54 -2.18 115.95 122.35 3gdk h TRP 256 Ca 0.02 -0.21 -0.06 0.00 1.13 0.00 0.00 58.89 59.78 3gdk h TRP 256 Cb 1.07 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.54 3gdk h TRP 256 CO 0.06 0.91 0.20 0.93 -1.03 0.00 0.00 178.44 179.51 3gdk h GLU 257 N 0.32 1.05 -0.79 2.65 5.08 -1.09 -0.09 114.58 121.70 3gdk h GLU 257 Ca 0.04 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3gdk h GLU 257 Cb 0.78 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 3gdk h GLU 257 CO 0.06 0.90 0.34 0.00 -1.00 0.00 0.00 179.01 179.31 3gdk h ALA 258 N 1.21 1.02 -0.35 3.43 0.00 -1.37 -2.56 119.26 120.64 3gdk h ALA 258 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gdk h ALA 258 Cb 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gdk h ALA 258 CO -0.01 0.62 0.19 -0.92 0.00 0.00 0.00 179.25 179.14 3gdk h TYR 259 N 1.13 0.48 -0.58 0.00 3.20 -0.70 -2.95 116.97 117.55 3gdk h TYR 259 Ca 0.27 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3gdk h TYR 259 Cb 0.17 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3gdk h TYR 259 CO 0.02 0.38 0.39 -0.07 -1.64 0.00 0.00 178.16 177.23 3gdk h LEU 260 N 0.44 0.57 0.00 2.82 3.38 -0.69 -2.93 115.31 118.91 3gdk h LEU 260 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gdk h LEU 260 Cb 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gdk h LEU 260 CO -0.02 0.39 -0.32 -2.11 0.09 0.00 0.00 178.44 176.48 3gdk n ARG 261 N -4.47 0.05 -2.42 1.13 1.85 -1.00 -4.86 116.66 106.94 3gdk n ARG 261 Ca 0.07 0.02 -0.34 0.00 -1.00 0.00 0.00 57.85 56.60 3gdk n ARG 261 Cb 0.15 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.00 3gdk n ARG 261 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3gdk s ARG 262 N -3.03 3.64 -0.03 2.89 1.70 -1.11 -4.97 118.95 118.04 3gdk s ARG 262 Ca 0.11 1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 56.48 3gdk s ARG 262 Cb 0.17 -2.07 -0.03 0.00 -0.57 0.00 0.00 34.95 32.46 3gdk s ARG 262 CO 0.64 -0.57 1.05 0.00 -1.08 0.00 0.00 175.30 175.33 3gdk s GLY 264 N 1.11 1.54 -0.09 0.00 0.00 -1.26 -4.34 107.32 104.27 3gdk s GLY 264 Ca 0.52 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 3gdk s GLY 264 CO 0.24 -0.60 1.34 1.62 0.00 0.00 0.00 173.10 175.70 3gdk s GLN 265 N -4.71 4.26 0.00 2.90 2.00 0.14 -4.81 119.66 119.43 3gdk s GLN 265 Ca 0.49 1.81 0.09 0.00 -2.00 0.00 0.00 55.36 55.75 3gdk s GLN 265 Cb -0.10 -3.72 0.08 0.00 0.80 0.00 0.00 33.01 30.06 3gdk s GLN 265 CO 0.42 -0.65 0.80 1.04 -0.50 0.00 0.00 175.29 176.39