#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xdm n LEU 7 N 0.00 -0.29 -4.89 0.00 4.77 -1.26 -4.91 117.00 110.41 1xdm n LEU 7 Ca 0.00 0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 56.46 1xdm n LEU 7 Cb 0.00 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1xdm n LEU 7 CO 0.00 -1.53 0.30 0.42 -1.33 0.00 0.00 177.39 175.24 1xdm s THR 8 N -0.23 4.93 -0.81 -5.08 -4.23 -1.26 -4.89 115.64 104.07 1xdm s THR 8 Ca 0.55 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1xdm s THR 8 Cb -0.78 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.33 1xdm s THR 8 CO 0.38 -0.39 0.88 1.67 -0.54 0.00 0.00 174.62 176.62 1xdm n GLN 9 N -1.06 0.00 0.04 3.99 -0.06 -1.26 -0.51 117.38 118.52 1xdm n GLN 9 Ca -0.00 0.38 -0.20 0.00 -2.00 0.00 0.00 57.00 55.18 1xdm n GLN 9 Cb 0.54 -1.60 -0.14 0.00 -4.06 0.00 0.00 30.24 24.97 1xdm n GLN 9 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1xdm h GLU 10 N 0.00 0.27 0.02 3.69 4.81 -2.00 -3.10 114.58 118.28 1xdm h GLU 10 Ca 0.00 -0.46 -0.21 0.00 -0.13 0.00 0.00 59.36 58.57 1xdm h GLU 10 Cb 0.21 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1xdm h GLU 10 CO 0.00 1.22 -0.95 1.96 -0.73 0.00 0.00 179.01 180.51 1xdm h GLN 11 N -0.43 0.09 -0.60 1.92 4.20 -1.16 -2.99 115.11 116.14 1xdm h GLN 11 Ca -0.14 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1xdm h GLN 11 Cb 1.59 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.38 1xdm h GLN 11 CO 0.13 0.97 0.36 0.87 -0.67 0.00 0.00 178.83 180.49 1xdm h LYS 12 N 0.04 0.82 -0.52 1.46 1.57 -1.50 0.67 116.57 119.11 1xdm h LYS 12 Ca -0.04 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1xdm h LYS 12 Cb 1.64 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.68 1xdm h LYS 12 CO 0.14 0.59 -0.53 -0.22 -0.57 0.00 0.00 179.45 178.85 1xdm h LYS 13 N 0.81 -0.29 0.21 3.15 3.64 -1.44 -0.84 116.57 121.81 1xdm h LYS 13 Ca 0.22 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1xdm h LYS 13 Cb -0.02 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xdm h LYS 13 CO -0.04 -0.20 -0.10 1.49 -2.27 0.00 0.00 179.45 178.33 1xdm h GLU 14 N -0.31 -0.27 -0.57 1.90 4.81 -1.25 -1.94 114.58 116.96 1xdm h GLU 14 Ca 0.11 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.52 1xdm h GLU 14 Cb 0.57 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.90 1xdm h GLU 14 CO -0.66 -0.18 0.02 1.28 -0.73 0.00 0.00 179.01 178.74 1xdm n LEU 15 N -2.80 -0.06 0.24 1.64 4.77 0.23 -0.24 117.00 120.78 1xdm n LEU 15 Ca -0.04 0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 56.81 1xdm n LEU 15 Cb 0.11 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1xdm n LEU 15 CO 0.08 -0.98 0.29 -1.28 -1.33 0.00 0.00 177.39 174.18 1xdm h SER 16 N 0.00 -0.55 -0.87 -1.43 0.87 -1.08 0.11 113.55 110.59 1xdm h SER 16 Ca 0.35 0.02 0.26 0.00 -1.23 0.00 0.00 61.79 61.19 1xdm h SER 16 Cb 0.73 0.14 -0.16 0.00 -0.44 0.00 0.00 62.40 62.67 1xdm h SER 16 CO -0.53 -0.20 0.08 -0.62 -0.53 0.00 0.00 176.83 175.04 1xdm n GLU 17 N -4.86 -0.07 -0.04 2.24 1.02 0.66 0.18 120.64 119.77 1xdm n GLU 17 Ca -0.08 1.28 -0.14 0.00 -0.02 0.00 0.00 57.16 58.20 1xdm n GLU 17 Cb 0.26 -2.07 -0.08 0.00 -0.02 0.00 0.00 31.44 29.52 1xdm n GLU 17 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1xdm h ILE 18 N 0.00 1.40 -0.77 -3.67 2.04 -1.25 0.98 117.51 116.25 1xdm h ILE 18 Ca 0.56 -1.48 0.14 0.00 1.00 0.00 0.00 64.86 65.07 1xdm h ILE 18 Cb 1.21 2.13 -0.09 0.00 -0.74 0.00 0.00 36.82 39.33 1xdm h ILE 18 CO -0.79 0.42 0.33 0.00 0.00 0.00 0.00 178.15 178.11 1xdm h ALA 19 N 0.51 1.09 0.09 1.87 0.00 0.45 -2.71 119.26 120.56 1xdm h ALA 19 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1xdm h ALA 19 Cb 0.78 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xdm h ALA 19 CO 0.04 -0.18 -0.85 1.96 0.00 0.00 0.00 179.25 180.22 1xdm h GLN 20 N 0.48 0.18 -0.04 0.00 4.20 -0.43 -3.32 115.11 116.19 1xdm h GLN 20 Ca 0.42 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1xdm h GLN 20 Cb 0.61 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1xdm h GLN 20 CO -0.39 1.15 0.50 0.66 -0.67 0.00 0.00 178.83 180.09 1xdm h SER 21 N -0.56 0.00 -0.01 1.46 4.64 -0.63 0.24 113.55 118.69 1xdm h SER 21 Ca -0.18 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.93 1xdm h SER 21 Cb 1.49 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1xdm h SER 21 CO 0.05 0.00 -0.81 0.40 -0.87 0.00 0.00 176.83 175.60 1xdm h ILE 22 N 0.00 1.35 -1.39 0.95 2.04 -1.58 -3.34 117.51 115.55 1xdm h ILE 22 Ca 0.02 -2.15 -0.64 0.00 1.00 0.00 0.00 64.86 63.09 1xdm h ILE 22 Cb 1.02 2.48 -0.37 0.00 -0.74 0.00 0.00 36.82 39.21 1xdm h ILE 22 CO -0.00 0.65 -0.08 1.33 0.00 0.00 0.00 178.15 180.05 1xdm n VAL 23 N -4.04 2.89 0.00 1.67 0.24 0.77 -4.11 118.33 115.74 1xdm n VAL 23 Ca -0.11 -4.33 0.00 0.00 -2.04 0.00 0.00 64.34 57.86 1xdm n VAL 23 Cb 0.77 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1xdm n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xdm n ALA 24 N -0.61 0.00 -3.68 2.33 0.00 -0.80 -4.57 120.51 113.18 1xdm n ALA 24 Ca 0.47 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 1xdm n ALA 24 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 1xdm n ALA 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1xdm s ASN 25 N -2.05 5.38 -0.85 0.00 -0.87 -1.26 -4.62 114.94 110.66 1xdm s ASN 25 Ca 0.00 -2.78 0.00 0.00 -1.57 0.00 0.00 52.86 48.51 1xdm s ASN 25 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 41.25 39.34 1xdm s ASN 25 CO 0.00 -0.40 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 1xdm n GLY 26 N 3.61 0.77 3.82 0.66 0.00 -1.26 -4.92 105.19 107.87 1xdm n GLY 26 Ca 0.08 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1xdm n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xdm s LYS 27 N -2.66 4.21 0.00 1.61 1.02 -1.26 -4.12 119.74 118.54 1xdm s LYS 27 Ca 0.00 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1xdm s LYS 27 Cb 0.00 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1xdm s LYS 27 CO 0.00 0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1xdm n GLY 28 N 0.45 4.77 3.43 -3.33 0.00 -0.55 -4.33 105.19 105.62 1xdm n GLY 28 Ca -0.01 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1xdm n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xdm s ILE 29 N -0.98 2.74 -0.15 -0.61 1.01 0.80 -1.44 121.20 122.58 1xdm s ILE 29 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1xdm s ILE 29 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1xdm s ILE 29 CO 0.00 0.57 0.13 -0.22 0.00 0.00 0.00 174.94 175.42 1xdm s LEU 30 N -0.76 4.32 -1.01 2.97 2.96 -0.50 -2.12 118.68 124.54 1xdm s LEU 30 Ca 0.11 0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 1xdm s LEU 30 Cb -0.10 -2.07 0.25 0.00 0.50 0.00 0.00 46.19 44.76 1xdm s LEU 30 CO 0.00 0.33 0.96 0.00 -1.32 0.00 0.00 176.35 176.32 1xdm s ALA 31 N -0.53 4.51 -0.42 5.97 0.00 0.58 -0.00 121.76 131.87 1xdm s ALA 31 Ca 0.12 -3.84 0.07 0.00 0.00 0.00 0.00 51.96 48.31 1xdm s ALA 31 Cb -0.12 -3.22 0.52 0.00 0.00 0.00 0.00 23.12 20.30 1xdm s ALA 31 CO 0.02 -2.18 1.44 0.00 0.00 0.00 0.00 175.76 175.04 1xdm n ALA 32 N 2.52 3.85 -0.03 0.00 0.00 -1.08 -4.34 120.51 121.42 1xdm n ALA 32 Ca 0.23 -1.53 0.04 0.00 0.00 0.00 0.00 53.44 52.19 1xdm n ALA 32 Cb 0.38 -1.16 0.23 0.00 0.00 0.00 0.00 19.45 18.90 1xdm n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xdm n ASP 33 N 0.07 3.62 -4.67 0.00 3.85 -1.23 -3.86 116.55 114.32 1xdm n ASP 33 Ca 0.26 -2.49 -0.45 0.00 -0.71 0.00 0.00 54.79 51.41 1xdm n ASP 33 Cb 1.03 -0.58 -0.03 0.00 -1.35 0.00 0.00 41.12 40.20 1xdm n ASP 33 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1xdm n GLU 34 N 0.41 2.07 -2.68 0.11 4.71 -1.26 -4.35 120.64 119.64 1xdm n GLU 34 Ca 0.16 0.74 -0.36 0.00 -0.01 0.00 0.00 57.16 57.68 1xdm n GLU 34 Cb 0.76 -2.40 -0.05 0.00 -1.01 0.00 0.00 31.44 28.73 1xdm n GLU 34 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xdm s SER 35 N 0.33 7.07 0.00 1.62 1.04 -1.26 -4.62 113.70 117.87 1xdm s SER 35 Ca 0.68 1.91 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1xdm s SER 35 Cb -0.64 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.90 1xdm s SER 35 CO 0.49 -0.27 0.05 0.52 0.98 0.00 0.00 173.24 175.02 1xdm n VAL 36 N 0.21 0.00 -0.32 5.02 0.31 -1.26 0.84 118.33 123.13 1xdm n VAL 36 Ca 0.04 0.09 0.21 0.00 -0.01 0.00 0.00 64.34 64.67 1xdm n VAL 36 Cb 0.50 -0.13 0.40 0.00 -0.91 0.00 0.00 33.84 33.70 1xdm n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xdm n GLY 37 N -0.66 -1.05 0.38 2.92 0.00 -1.26 -0.85 105.19 104.68 1xdm n GLY 37 Ca 0.00 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 1xdm n GLY 37 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xdm h THR 38 N 0.00 0.21 -1.05 2.61 2.02 0.09 -2.84 112.91 113.95 1xdm h THR 38 Ca 0.68 -0.21 0.28 0.00 0.77 0.00 0.00 66.41 67.93 1xdm h THR 38 Cb 1.60 0.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.20 1xdm h THR 38 CO -0.83 0.02 0.71 -0.03 0.37 0.00 0.00 175.52 175.76 1xdm h MET 39 N -1.10 0.23 -0.27 6.66 4.05 0.05 0.53 114.93 125.08 1xdm h MET 39 Ca -0.10 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.15 1xdm h MET 39 Cb 0.74 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1xdm h MET 39 CO 0.16 0.15 -0.48 0.78 0.23 0.00 0.00 176.91 177.74 1xdm h GLY 40 N 0.23 0.79 1.36 1.39 0.00 -1.08 -1.35 103.07 104.41 1xdm h GLY 40 Ca 0.55 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1xdm h GLY 40 CO -0.17 0.77 0.31 3.43 0.00 0.00 0.00 176.54 180.88 1xdm h ASN 41 N 0.57 0.75 0.72 0.19 2.35 0.26 0.88 115.58 121.31 1xdm h ASN 41 Ca 0.03 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1xdm h ASN 41 Cb 1.04 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.23 1xdm h ASN 41 CO 0.10 0.63 -0.35 0.03 -1.65 0.00 0.00 177.43 176.19 1xdm h ARG 42 N 0.85 -0.94 -0.87 0.81 2.47 -0.95 -2.65 114.38 113.10 1xdm h ARG 42 Ca 0.21 0.06 0.12 0.00 -1.26 0.00 0.00 59.98 59.12 1xdm h ARG 42 Cb 0.06 0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 28.53 1xdm h ARG 42 CO -0.03 -0.63 0.56 -0.07 0.56 0.00 0.00 179.97 180.37 1xdm h LEU 43 N -1.15 0.69 -1.78 3.04 3.38 -1.00 0.11 115.31 118.61 1xdm h LEU 43 Ca -0.10 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1xdm h LEU 43 Cb 0.75 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1xdm h LEU 43 CO 0.16 0.38 0.32 -0.61 0.09 0.00 0.00 178.44 178.78 1xdm h GLN 44 N 0.75 0.25 0.00 1.13 4.15 0.96 0.27 115.11 122.62 1xdm h GLN 44 Ca 0.42 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.82 1xdm h GLN 44 Cb 0.59 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1xdm h GLN 44 CO -0.19 0.16 -0.04 -0.09 -1.93 0.00 0.00 178.83 176.75 1xdm h ARG 45 N 0.26 0.00 -0.49 1.69 2.43 -0.41 -1.47 114.38 116.38 1xdm h ARG 45 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1xdm h ARG 45 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xdm h ARG 45 CO -0.04 0.04 0.00 0.44 -1.51 0.00 0.00 179.97 178.90 1xdm n ILE 46 N -3.13 2.18 -3.21 1.20 -5.35 0.50 -4.92 119.36 106.62 1xdm n ILE 46 Ca 0.01 -1.45 -0.23 0.00 -0.27 0.00 0.00 62.75 60.82 1xdm n ILE 46 Cb 0.38 -0.07 0.02 0.00 -1.74 0.00 0.00 39.64 38.23 1xdm n ILE 46 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1xdm n LYS 47 N 0.44 -4.50 -3.98 6.28 5.02 -0.55 -4.77 118.16 116.10 1xdm n LYS 47 Ca 0.24 0.73 -0.35 0.00 -2.02 0.00 0.00 58.31 56.91 1xdm n LYS 47 Cb 0.95 -5.55 -0.13 0.00 -0.02 0.00 0.00 35.03 30.28 1xdm n LYS 47 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xdm s VAL 48 N -3.10 3.68 0.44 -0.18 1.01 0.63 -4.97 120.40 117.93 1xdm s VAL 48 Ca 0.37 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 1xdm s VAL 48 Cb -0.18 -2.68 -0.13 0.00 0.00 0.00 0.00 36.38 33.40 1xdm s VAL 48 CO 0.45 0.42 0.38 1.21 0.00 0.00 0.00 175.10 177.56 1xdm n GLU 49 N 4.59 0.38 -3.23 2.72 4.07 -1.26 -3.82 120.64 124.09 1xdm n GLU 49 Ca -0.18 0.14 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 1xdm n GLU 49 Cb 0.51 -1.37 -0.08 0.00 -0.06 0.00 0.00 31.44 30.45 1xdm n GLU 49 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1xdm s ASN 50 N -0.99 6.31 0.02 4.31 3.04 -1.26 -4.88 114.94 121.49 1xdm s ASN 50 Ca 0.63 -0.11 0.02 0.00 0.04 0.00 0.00 52.86 53.43 1xdm s ASN 50 Cb -0.59 -2.27 -0.02 0.00 -1.54 0.00 0.00 41.25 36.84 1xdm s ASN 50 CO 0.59 -0.52 -0.06 -0.89 -3.04 0.00 0.00 177.10 173.18 1xdm s THR 51 N 2.43 0.44 0.43 -5.21 2.01 -1.26 -5.01 115.64 109.47 1xdm s THR 51 Ca 0.19 -0.71 0.19 0.00 0.31 0.00 0.00 61.69 61.67 1xdm s THR 51 Cb -0.15 -0.46 0.39 0.00 0.01 0.00 0.00 72.50 72.28 1xdm s THR 51 CO 0.14 -0.19 1.86 -0.08 -0.69 0.00 0.00 174.62 175.66 1xdm h GLU 52 N 5.14 0.35 0.14 4.92 4.81 -2.00 -1.63 114.58 126.32 1xdm h GLU 52 Ca -0.32 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1xdm h GLU 52 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1xdm h GLU 52 CO 0.45 0.23 -0.07 1.49 -0.73 0.00 0.00 179.01 180.38 1xdm h GLU 53 N 0.36 -0.18 -0.88 1.92 4.57 -1.98 -2.05 114.58 116.35 1xdm h GLU 53 Ca 0.47 0.01 0.24 0.00 -1.18 0.00 0.00 59.36 58.89 1xdm h GLU 53 Cb 1.22 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.71 1xdm h GLU 53 CO -0.16 0.24 0.21 -0.91 -1.18 0.00 0.00 179.01 177.20 1xdm h ASN 54 N -0.92 -0.06 0.97 1.04 2.35 -1.72 0.63 115.58 117.88 1xdm h ASN 54 Ca -0.02 0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1xdm h ASN 54 Cb 0.50 0.29 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1xdm h ASN 54 CO 0.03 -0.18 -0.47 0.03 -1.65 0.00 0.00 177.43 175.20 1xdm h ARG 55 N 0.18 -1.26 -1.01 0.81 3.08 -1.39 -1.68 114.38 113.12 1xdm h ARG 55 Ca 0.55 0.09 0.29 0.00 0.07 0.00 0.00 59.98 60.97 1xdm h ARG 55 Cb 1.11 0.29 -0.14 0.00 0.08 0.00 0.00 29.97 31.31 1xdm h ARG 55 CO -0.68 -0.84 0.59 -0.09 -1.07 0.00 0.00 179.97 177.88 1xdm h ARG 56 N -1.31 0.43 0.23 0.04 2.43 0.61 -1.65 114.38 115.16 1xdm h ARG 56 Ca -0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1xdm h ARG 56 Cb 1.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1xdm h ARG 56 CO 0.22 0.29 -0.11 0.37 -1.51 0.00 0.00 179.97 179.23 1xdm h GLN 57 N 0.45 -0.30 -0.96 0.20 4.15 0.22 -1.15 115.11 117.71 1xdm h GLN 57 Ca 0.69 0.02 0.09 0.00 0.77 0.00 0.00 58.65 60.22 1xdm h GLN 57 Cb 1.47 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 29.11 1xdm h GLN 57 CO -0.53 -0.20 -0.59 0.35 -1.93 0.00 0.00 178.83 175.93 1xdm h PHE 58 N -0.53 -1.88 -0.03 3.99 3.57 -0.92 1.90 116.94 123.03 1xdm h PHE 58 Ca -0.03 0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1xdm h PHE 58 Cb 0.24 0.95 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1xdm h PHE 58 CO 0.06 -0.38 0.05 0.00 -2.23 0.00 0.00 178.31 175.82 1xdm h ARG 59 N -0.02 0.00 -0.27 1.11 3.08 -1.41 0.25 114.38 117.11 1xdm h ARG 59 Ca 0.15 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1xdm h ARG 59 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1xdm h ARG 59 CO -0.92 0.00 -0.21 1.49 -1.07 0.00 0.00 179.97 179.26 1xdm h GLU 60 N 0.00 0.62 -0.07 0.04 4.81 0.41 -1.97 114.58 118.42 1xdm h GLU 60 Ca 0.02 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1xdm h GLU 60 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1xdm h GLU 60 CO -0.00 0.90 -0.06 0.82 -0.73 0.00 0.00 179.01 179.94 1xdm h ILE 61 N 0.35 0.81 0.00 2.32 2.04 0.21 0.18 117.51 123.42 1xdm h ILE 61 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1xdm h ILE 61 Cb 0.76 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1xdm h ILE 61 CO 0.06 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.39 1xdm n LEU 62 N -5.19 0.00 0.27 1.44 4.77 -0.66 -2.07 117.00 115.57 1xdm n LEU 62 Ca -0.05 0.91 0.11 0.00 -0.03 0.00 0.00 56.01 56.95 1xdm n LEU 62 Cb 0.12 -0.41 0.59 0.00 -2.33 0.00 0.00 43.42 41.39 1xdm n LEU 62 CO 0.28 -0.41 1.00 -0.26 -1.33 0.00 0.00 177.39 176.67 1xdm h PHE 63 N 0.00 0.00 -0.01 -1.77 0.05 -1.32 0.25 116.94 114.15 1xdm h PHE 63 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1xdm h PHE 63 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 1xdm h PHE 63 CO -0.09 0.00 -0.29 -1.13 -0.18 0.00 0.00 178.31 176.62 1xdm n SER 64 N -2.56 0.83 -4.52 2.17 3.41 0.62 -4.84 113.62 108.74 1xdm n SER 64 Ca -0.01 -0.69 -0.32 0.00 -0.26 0.00 0.00 58.87 57.58 1xdm n SER 64 Cb 0.40 0.13 0.14 0.00 -0.26 0.00 0.00 64.21 64.62 1xdm n SER 64 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1xdm n VAL 65 N -0.89 0.03 -1.39 -3.33 3.14 0.87 -4.84 118.33 111.93 1xdm n VAL 65 Ca 0.11 -0.12 -0.41 0.00 -2.96 0.00 0.00 64.34 60.96 1xdm n VAL 65 Cb 0.34 -0.77 0.01 0.00 -1.06 0.00 0.00 33.84 32.36 1xdm n VAL 65 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1xdm n ASP 66 N -2.47 -1.79 0.13 6.55 10.43 -1.26 -4.83 116.55 123.31 1xdm n ASP 66 Ca 0.09 0.81 0.10 0.00 2.57 0.00 0.00 54.79 58.36 1xdm n ASP 66 Cb 0.53 -1.03 0.49 0.00 1.84 0.00 0.00 41.12 42.94 1xdm n ASP 66 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1xdm n SER 67 N 1.54 0.53 0.00 -2.24 3.41 -1.26 -1.44 113.62 114.16 1xdm n SER 67 Ca 0.11 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.48 1xdm n SER 67 Cb 0.42 -0.78 0.42 0.00 -0.26 0.00 0.00 64.21 64.02 1xdm n SER 67 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xdm n SER 68 N -2.15 0.00 0.10 4.04 3.41 -1.26 -1.07 113.62 116.69 1xdm n SER 68 Ca 0.00 -0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 1xdm n SER 68 Cb 0.12 -0.19 0.44 0.00 -0.26 0.00 0.00 64.21 64.33 1xdm n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xdm n ILE 69 N -1.19 0.85 0.68 -1.33 0.13 -0.52 -2.41 119.36 115.58 1xdm n ILE 69 Ca 0.09 0.22 0.02 0.00 -1.10 0.00 0.00 62.75 61.97 1xdm n ILE 69 Cb 0.10 -1.10 0.09 0.00 -0.84 0.00 0.00 39.64 37.90 1xdm n ILE 69 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 1xdm n ASN 70 N -2.05 1.96 -0.00 9.51 0.23 -0.23 -1.55 115.26 123.12 1xdm n ASN 70 Ca 0.03 -2.19 0.04 0.00 -0.53 0.00 0.00 54.58 51.92 1xdm n ASN 70 Cb 0.22 -0.48 -0.05 0.00 -2.08 0.00 0.00 39.78 37.39 1xdm n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xdm n GLN 71 N 0.13 3.27 -0.02 -3.83 6.02 -1.01 -4.67 117.38 117.26 1xdm n GLN 71 Ca 0.06 -0.02 -0.03 0.00 -0.01 0.00 0.00 57.00 57.00 1xdm n GLN 71 Cb 0.43 -0.95 -0.02 0.00 1.02 0.00 0.00 30.24 30.72 1xdm n GLN 71 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1xdm n SER 72 N -1.35 2.62 -4.52 1.08 7.64 -1.17 -4.70 113.62 113.23 1xdm n SER 72 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1xdm n SER 72 Cb 0.14 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 1xdm n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xdm s ILE 73 N -2.08 5.20 -1.65 0.44 -1.09 -0.60 -1.49 121.20 119.94 1xdm s ILE 73 Ca -0.05 -0.20 0.23 0.00 -2.23 0.00 0.00 60.65 58.39 1xdm s ILE 73 Cb 0.02 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 1xdm s ILE 73 CO 0.08 -0.16 1.08 0.61 -1.23 0.00 0.00 174.94 175.33 1xdm n GLY 74 N 5.05 -0.39 3.64 6.18 0.00 -0.52 -4.40 105.19 114.76 1xdm n GLY 74 Ca -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 1xdm n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xdm s GLY 75 N -2.67 0.01 -0.09 -0.02 0.00 -1.20 -2.73 107.32 100.62 1xdm s GLY 75 Ca 0.15 3.01 0.03 0.00 0.00 0.00 0.00 44.72 47.92 1xdm s GLY 75 CO 0.67 2.17 -0.20 0.14 0.00 0.00 0.00 173.10 175.88 1xdm s VAL 76 N 0.66 2.41 0.36 1.40 1.01 -0.28 -1.41 120.40 124.56 1xdm s VAL 76 Ca -0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1xdm s VAL 76 Cb -0.04 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1xdm s VAL 76 CO -0.11 0.56 0.67 -0.63 0.00 0.00 0.00 175.10 175.59 1xdm s ILE 77 N 0.13 4.91 0.03 2.22 1.01 1.00 -0.36 121.20 130.13 1xdm s ILE 77 Ca -0.10 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1xdm s ILE 77 Cb -0.16 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1xdm s ILE 77 CO 0.06 -0.48 -0.05 -0.76 0.00 0.00 0.00 174.94 173.72 1xdm s LEU 78 N -3.85 2.22 0.16 2.97 1.43 0.39 -2.65 118.68 119.36 1xdm s LEU 78 Ca 0.47 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 1xdm s LEU 78 Cb -0.10 -0.02 -0.07 0.00 0.03 0.00 0.00 46.19 46.03 1xdm s LEU 78 CO 0.32 -0.23 0.61 0.12 0.23 0.00 0.00 176.35 177.41 1xdm s PHE 79 N -1.29 3.65 0.00 0.29 5.36 -1.25 -1.90 117.98 122.85 1xdm s PHE 79 Ca -0.12 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 1xdm s PHE 79 Cb -0.09 -2.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.11 1xdm s PHE 79 CO -0.00 0.42 0.15 1.58 -1.46 0.00 0.00 175.22 175.91 1xdm n HIS 80 N 0.91 0.00 -0.25 10.12 -0.00 -1.26 -0.73 115.22 124.01 1xdm n HIS 80 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.60 1xdm n HIS 80 Cb 0.51 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.41 1xdm n HIS 80 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1xdm n GLU 81 N -1.15 -0.26 -0.10 1.57 2.13 -1.26 -0.28 120.64 121.28 1xdm n GLU 81 Ca 0.00 1.03 0.22 0.00 0.66 0.00 0.00 57.16 59.07 1xdm n GLU 81 Cb 0.00 -1.52 0.67 0.00 0.27 0.00 0.00 31.44 30.86 1xdm n GLU 81 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1xdm h THR 82 N 0.00 0.67 0.00 6.31 2.02 -1.32 -1.49 112.91 119.10 1xdm h THR 82 Ca 0.10 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1xdm h THR 82 Cb 0.24 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1xdm h THR 82 CO -0.56 0.01 0.00 -0.11 0.37 0.00 0.00 175.52 175.23 1xdm n LEU 83 N -4.36 0.25 0.00 2.58 7.94 0.61 -2.12 117.00 121.90 1xdm n LEU 83 Ca 0.14 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 1xdm n LEU 83 Cb 0.73 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1xdm n LEU 83 CO 0.37 -0.69 0.33 -1.22 -1.11 0.00 0.00 177.39 175.06 1xdm n TYR 84 N -1.84 0.00 -2.28 1.96 4.02 -0.56 -4.59 117.16 113.86 1xdm n TYR 84 Ca -0.01 -0.19 -0.31 0.00 -0.01 0.00 0.00 57.90 57.38 1xdm n TYR 84 Cb 0.02 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 1xdm n TYR 84 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1xdm s GLN 85 N -0.39 3.77 0.08 -0.72 -0.21 -0.90 -4.99 119.66 116.30 1xdm s GLN 85 Ca 0.00 0.76 0.10 0.00 0.02 0.00 0.00 55.36 56.24 1xdm s GLN 85 Cb 0.00 -2.16 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 1xdm s GLN 85 CO 0.00 -0.35 -0.26 0.15 -2.12 0.00 0.00 175.29 172.71 1xdm s LYS 86 N -4.50 1.63 1.11 2.91 1.02 -1.26 -2.84 119.74 117.81 1xdm s LYS 86 Ca 0.56 -1.20 -0.14 0.00 0.02 0.00 0.00 55.97 55.21 1xdm s LYS 86 Cb -0.10 -1.93 0.25 0.00 -0.52 0.00 0.00 37.83 35.52 1xdm s LYS 86 CO 0.41 0.48 1.07 0.16 -0.92 0.00 0.00 175.35 176.55 1xdm s ASP 87 N -1.56 1.60 0.53 2.83 3.84 0.27 -4.74 116.67 119.44 1xdm s ASP 87 Ca 0.12 1.15 0.45 0.00 -0.00 0.00 0.00 52.55 54.28 1xdm s ASP 87 Cb -0.10 -1.78 1.66 0.00 -1.38 0.00 0.00 42.92 41.32 1xdm s ASP 87 CO 0.04 -3.77 1.59 0.28 -0.00 0.00 0.00 175.17 173.31 1xdm h SER 88 N -2.33 0.06 -1.00 2.11 0.02 -1.95 0.78 113.55 111.24 1xdm h SER 88 Ca -0.55 0.04 -0.66 0.00 -0.84 0.00 0.00 61.79 59.78 1xdm h SER 88 Cb 1.33 0.04 -0.29 0.00 0.14 0.00 0.00 62.40 63.62 1xdm h SER 88 CO 0.51 -0.06 0.84 0.00 -1.14 0.00 0.00 176.83 176.98 1xdm n GLN 89 N -4.16 2.64 -0.93 3.45 3.00 -1.26 -4.88 117.38 115.24 1xdm n GLN 89 Ca 0.42 -3.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.15 1xdm n GLN 89 Cb 1.85 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 29.82 1xdm n GLN 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xdm n GLY 90 N -0.95 0.00 3.87 1.08 0.00 0.27 -4.95 105.19 104.51 1xdm n GLY 90 Ca 0.62 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 1xdm n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xdm s LYS 91 N -1.86 3.75 -0.28 1.61 2.47 -1.24 -4.79 119.74 119.39 1xdm s LYS 91 Ca 0.00 0.54 -0.17 0.00 -1.56 0.00 0.00 55.97 54.78 1xdm s LYS 91 Cb 0.00 -2.31 -0.03 0.00 -1.46 0.00 0.00 37.83 34.04 1xdm s LYS 91 CO 0.00 -0.17 0.48 -0.51 0.16 0.00 0.00 175.35 175.31 1xdm s LEU 92 N -4.20 4.10 0.25 5.43 1.43 -1.26 0.96 118.68 125.39 1xdm s LEU 92 Ca 0.52 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1xdm s LEU 92 Cb -0.10 -2.59 0.40 0.00 0.03 0.00 0.00 46.19 43.93 1xdm s LEU 92 CO 0.36 -0.29 1.60 -0.26 0.23 0.00 0.00 176.35 177.99 1xdm h PHE 93 N 8.14 -0.33 -0.91 0.29 0.04 -1.86 1.06 116.94 123.37 1xdm h PHE 93 Ca -0.29 0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.63 1xdm h PHE 93 Cb 1.14 0.27 -0.11 0.00 2.20 0.00 0.00 35.95 39.46 1xdm h PHE 93 CO 0.75 -0.34 -0.55 -0.09 -0.60 0.00 0.00 178.31 177.48 1xdm h ARG 94 N 0.02 -0.01 0.00 1.51 2.43 -1.81 0.16 114.38 116.68 1xdm h ARG 94 Ca 0.41 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.49 1xdm h ARG 94 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1xdm h ARG 94 CO -0.82 -0.01 -0.47 -0.91 -1.51 0.00 0.00 179.97 176.25 1xdm h ASN 95 N -0.01 0.00 -0.71 -3.80 2.35 -0.82 -2.11 115.58 110.47 1xdm h ASN 95 Ca 0.15 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1xdm h ASN 95 Cb 0.39 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1xdm h ASN 95 CO -0.86 0.47 0.47 0.40 -1.65 0.00 0.00 177.43 176.26 1xdm h ILE 96 N 0.00 1.07 0.18 2.81 2.04 0.36 0.60 117.51 124.56 1xdm h ILE 96 Ca -0.00 -0.28 -0.31 0.00 1.00 0.00 0.00 64.86 65.27 1xdm h ILE 96 Cb 1.24 0.19 0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1xdm h ILE 96 CO 0.06 0.15 -1.43 -0.07 0.00 0.00 0.00 178.15 176.86 1xdm h LEU 97 N 0.81 0.60 -0.24 1.44 3.38 -0.72 -2.46 115.31 118.12 1xdm h LEU 97 Ca 0.29 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1xdm h LEU 97 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xdm h LEU 97 CO -0.09 1.55 0.14 0.50 0.09 0.00 0.00 178.44 180.63 1xdm h LYS 98 N 0.10 0.33 -0.09 1.13 3.64 -0.67 -2.60 116.57 118.41 1xdm h LYS 98 Ca -0.22 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1xdm h LYS 98 Cb 2.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 1xdm h LYS 98 CO 0.22 0.27 -0.45 0.93 -2.27 0.00 0.00 179.45 178.16 1xdm h GLU 99 N 0.29 0.21 -1.04 1.90 5.08 -1.02 -3.00 114.58 116.99 1xdm h GLU 99 Ca 0.08 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1xdm h GLU 99 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xdm h GLU 99 CO -0.02 0.62 0.04 1.17 -1.00 0.00 0.00 179.01 179.82 1xdm n LYS 100 N -4.00 1.07 0.00 2.33 4.81 -0.92 -4.86 118.16 116.59 1xdm n LYS 100 Ca -0.02 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1xdm n LYS 100 Cb 0.50 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1xdm n LYS 100 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xdm n GLY 101 N 0.45 1.36 3.39 3.14 0.00 -1.14 -4.63 105.19 107.76 1xdm n GLY 101 Ca 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1xdm n GLY 101 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xdm n ILE 102 N 0.00 1.31 -3.84 -0.61 5.41 -1.09 -4.89 119.36 115.65 1xdm n ILE 102 Ca 0.00 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.88 1xdm n ILE 102 Cb 0.00 -0.34 -0.06 0.00 -0.71 0.00 0.00 39.64 38.52 1xdm n ILE 102 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1xdm s VAL 103 N -1.64 5.47 -0.02 1.39 1.01 -1.10 -3.80 120.40 121.70 1xdm s VAL 103 Ca 0.62 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 1xdm s VAL 103 Cb -0.57 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1xdm s VAL 103 CO 0.60 0.61 0.50 -0.69 0.00 0.00 0.00 175.10 176.11 1xdm s VAL 104 N -0.94 4.99 -0.03 2.92 1.01 -1.26 -1.12 120.40 125.97 1xdm s VAL 104 Ca 0.15 1.04 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1xdm s VAL 104 Cb -0.12 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1xdm s VAL 104 CO 0.04 0.47 -0.13 -0.83 0.00 0.00 0.00 175.10 174.65 1xdm s GLY 105 N -0.41 0.71 0.17 4.51 0.00 0.51 -1.58 107.32 111.23 1xdm s GLY 105 Ca 0.27 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.49 1xdm s GLY 105 CO 0.14 -0.33 0.18 -1.50 0.00 0.00 0.00 173.10 171.60 1xdm s ILE 106 N -0.06 4.72 -0.36 0.90 1.10 -0.74 0.15 121.20 126.92 1xdm s ILE 106 Ca 0.00 -0.99 -0.14 0.00 -0.51 0.00 0.00 60.65 59.01 1xdm s ILE 106 Cb -0.08 -3.43 -0.01 0.00 0.15 0.00 0.00 42.46 39.09 1xdm s ILE 106 CO 0.01 -0.12 0.29 -0.75 -2.11 0.00 0.00 174.94 172.25 1xdm s LYS 107 N -3.19 3.40 0.18 3.50 2.20 -0.80 -2.30 119.74 122.73 1xdm s LYS 107 Ca 0.32 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1xdm s LYS 107 Cb -0.10 -3.84 0.06 0.00 -1.51 0.00 0.00 37.83 32.43 1xdm s LYS 107 CO 0.25 -0.53 1.43 -0.07 -0.36 0.00 0.00 175.35 176.07 1xdm h LEU 108 N 8.60 0.44 -9.14 5.43 3.38 -1.59 -3.42 115.31 119.01 1xdm h LEU 108 Ca -0.30 -0.30 -0.60 0.00 0.09 0.00 0.00 57.88 56.77 1xdm h LEU 108 Cb 1.15 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 1xdm h LEU 108 CO 0.67 1.04 -0.17 1.51 0.09 0.00 0.00 178.44 181.58 1xdm s ASP 109 N -6.97 6.46 -0.09 -0.43 1.47 -1.23 -5.07 116.67 110.82 1xdm s ASP 109 Ca -0.05 0.55 -0.05 0.00 1.18 0.00 0.00 52.55 54.18 1xdm s ASP 109 Cb 0.10 -2.24 0.01 0.00 -0.34 0.00 0.00 42.92 40.45 1xdm s ASP 109 CO 0.84 -0.09 0.08 -0.67 0.68 0.00 0.00 175.17 176.00 1xdm n ASP 128 N 4.52 -6.64 0.00 2.11 2.03 -1.26 -5.05 116.55 112.25 1xdm n ASP 128 Ca -0.08 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1xdm n ASP 128 Cb 0.51 -2.08 0.00 0.00 -0.72 0.00 0.00 41.12 38.83 1xdm n ASP 128 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xdm n GLY 129 N 1.04 1.94 0.00 0.27 0.00 -1.26 -4.97 105.19 102.21 1xdm n GLY 129 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xdm n GLY 129 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xdm n LEU 130 N 0.00 0.00 0.10 0.99 7.94 -1.26 -1.60 117.00 123.17 1xdm n LEU 130 Ca 0.00 0.99 0.16 0.00 -1.11 0.00 0.00 56.01 56.05 1xdm n LEU 130 Cb 0.00 -0.49 0.44 0.00 0.53 0.00 0.00 43.42 43.90 1xdm n LEU 130 CO 0.00 -0.49 1.15 0.77 -1.11 0.00 0.00 177.39 177.71 1xdm h SER 131 N 0.00 0.00 0.11 1.96 4.64 -1.93 0.67 113.55 119.00 1xdm h SER 131 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1xdm h SER 131 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1xdm h SER 131 CO 0.00 0.00 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.02 1xdm h GLU 132 N 0.00 0.23 -0.18 4.77 3.07 -1.81 -3.26 114.58 117.39 1xdm h GLU 132 Ca 0.21 -0.39 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1xdm h GLU 132 Cb 1.91 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.95 1xdm h GLU 132 CO -0.00 1.19 0.08 0.00 -1.40 0.00 0.00 179.01 178.88 1xdm h ARG 133 N -0.53 0.18 -0.09 2.33 3.08 0.13 -3.13 114.38 116.36 1xdm h ARG 133 Ca -0.11 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1xdm h ARG 133 Cb 1.49 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1xdm h ARG 133 CO 0.12 0.12 -0.21 0.00 -1.07 0.00 0.00 179.97 178.93 1xdm h ALA 135 N -0.94 2.61 0.24 0.00 0.00 -1.59 0.41 119.26 119.99 1xdm h ALA 135 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xdm h ALA 135 Cb 0.25 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xdm h ALA 135 CO -0.19 -1.29 -0.11 0.37 0.00 0.00 0.00 179.25 178.03 1xdm h GLN 136 N 0.06 -0.30 0.00 0.00 5.75 -0.84 -1.27 115.11 118.50 1xdm h GLN 136 Ca 0.84 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.36 1xdm h GLN 136 Cb 2.54 0.07 0.00 0.00 1.07 0.00 0.00 27.48 31.16 1xdm h GLN 136 CO -0.51 0.06 0.04 1.88 -2.65 0.00 0.00 178.83 177.65 1xdm h TYR 137 N -0.77 0.00 0.16 3.99 0.05 0.19 0.15 116.97 120.74 1xdm h TYR 137 Ca -0.03 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.43 1xdm h TYR 137 Cb 0.51 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.28 1xdm h TYR 137 CO 0.05 0.00 -1.33 -0.22 -1.05 0.00 0.00 178.16 175.61 1xdm h LYS 138 N 0.00 0.60 -0.05 4.88 1.63 -0.20 -0.33 116.57 123.10 1xdm h LYS 138 Ca 0.00 -0.87 -0.04 0.00 -0.85 0.00 0.00 60.65 58.89 1xdm h LYS 138 Cb 0.08 0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1xdm h LYS 138 CO 0.00 1.40 -0.15 0.87 -3.45 0.00 0.00 179.45 178.12 1xdm h LYS 139 N 0.24 0.07 0.00 1.90 1.57 0.46 -2.77 116.57 118.05 1xdm h LYS 139 Ca -0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1xdm h LYS 139 Cb 2.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1xdm h LYS 139 CO 0.25 0.23 -0.09 -0.25 -0.57 0.00 0.00 179.45 179.02 1xdm n ASP 140 N -4.32 0.40 0.00 0.86 9.92 -0.56 -4.91 116.55 117.94 1xdm n ASP 140 Ca -0.02 0.44 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 1xdm n ASP 140 Cb 0.24 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1xdm n ASP 140 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xdm n GLY 141 N 1.42 1.16 3.74 0.44 0.00 -1.04 -4.97 105.19 105.94 1xdm n GLY 141 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1xdm n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xdm s VAL 142 N -2.00 5.04 -0.10 1.61 1.01 -0.14 -4.36 120.40 121.46 1xdm s VAL 142 Ca 0.00 1.15 0.14 0.00 0.00 0.00 0.00 61.98 63.27 1xdm s VAL 142 Cb 0.00 -3.90 0.21 0.00 0.00 0.00 0.00 36.38 32.70 1xdm s VAL 142 CO 0.00 0.36 1.11 0.47 0.00 0.00 0.00 175.10 177.04 1xdm n ASP 143 N 3.20 2.18 -3.64 3.32 8.00 -0.62 -4.10 116.55 124.90 1xdm n ASP 143 Ca -0.06 -2.79 -0.04 0.00 0.71 0.00 0.00 54.79 52.61 1xdm n ASP 143 Cb 0.51 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 1xdm n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1xdm s PHE 144 N -2.34 -0.13 0.41 1.24 -0.12 -1.26 -1.76 117.98 114.03 1xdm s PHE 144 Ca 0.23 0.28 0.04 0.00 -0.05 0.00 0.00 56.93 57.44 1xdm s PHE 144 Cb 0.20 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 43.05 1xdm s PHE 144 CO 0.02 -0.07 0.14 0.41 -0.05 0.00 0.00 175.22 175.67 1xdm n GLY 145 N 1.37 3.25 3.02 1.99 0.00 -1.14 -1.79 105.19 111.90 1xdm n GLY 145 Ca -0.08 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 1xdm n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xdm s LYS 146 N -3.55 0.42 -0.30 1.61 2.20 -0.97 -1.93 119.74 117.22 1xdm s LYS 146 Ca 0.20 -0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 54.90 1xdm s LYS 146 Cb 0.01 0.07 0.17 0.00 -1.51 0.00 0.00 37.83 36.57 1xdm s LYS 146 CO 0.14 -0.05 0.95 -0.46 -0.36 0.00 0.00 175.35 175.58 1xdm s TRP 147 N -2.08 -0.76 0.03 4.03 -0.00 -1.26 -1.39 118.94 117.51 1xdm s TRP 147 Ca -0.09 0.97 0.01 0.00 -0.00 0.00 0.00 56.10 56.99 1xdm s TRP 147 Cb -0.05 0.33 -0.04 0.00 -0.00 0.00 0.00 33.47 33.70 1xdm s TRP 147 CO -0.03 -0.40 0.08 -0.98 -0.00 0.00 0.00 176.95 175.61 1xdm s ARG 148 N 2.77 2.98 0.00 5.86 1.70 -1.26 -4.42 118.95 126.57 1xdm s ARG 148 Ca 0.02 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1xdm s ARG 148 Cb -0.10 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.49 1xdm s ARG 148 CO -0.15 0.61 0.00 -2.30 -1.08 0.00 0.00 175.30 172.38 1xdm n PRO 149 N 0.90 0.00 -1.28 3.89 -0.02 -1.26 -5.07 135.00 132.16 1xdm n PRO 149 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1xdm n PRO 149 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1xdm n PRO 149 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xdm n SER 159 N 0.00 -6.92 -0.13 2.55 2.88 -1.26 -5.14 113.62 105.60 1xdm n SER 159 Ca 0.00 1.53 -0.06 0.00 -1.33 0.00 0.00 58.87 59.01 1xdm n SER 159 Cb 0.00 -3.96 0.03 0.00 -0.75 0.00 0.00 64.21 59.52 1xdm n SER 159 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1xdm h SER 160 N 0.15 0.25 0.24 -3.46 0.02 -2.05 0.75 113.55 109.44 1xdm h SER 160 Ca 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1xdm h SER 160 Cb 0.78 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1xdm h SER 160 CO 0.00 0.19 -0.11 0.25 -1.14 0.00 0.00 176.83 176.01 1xdm h LEU 161 N 0.38 -0.27 -0.03 5.07 5.85 -2.06 -2.90 115.31 121.36 1xdm h LEU 161 Ca 0.18 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xdm h LEU 161 Cb 0.12 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xdm h LEU 161 CO -0.15 0.06 -0.02 0.00 -0.34 0.00 0.00 178.44 177.99 1xdm h ALA 162 N 0.04 -0.21 -1.49 1.25 0.00 -1.92 0.12 119.26 117.05 1xdm h ALA 162 Ca -0.03 0.00 0.47 0.00 0.00 0.00 0.00 54.91 55.35 1xdm h ALA 162 Cb 0.45 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1xdm h ALA 162 CO 0.05 -0.22 1.00 0.82 0.00 0.00 0.00 179.25 180.91 1xdm h ILE 163 N -0.01 0.08 -0.18 0.00 2.04 -0.93 0.40 117.51 118.91 1xdm h ILE 163 Ca 0.00 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1xdm h ILE 163 Cb 0.02 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1xdm h ILE 163 CO -0.03 0.01 -0.08 -0.61 0.00 0.00 0.00 178.15 177.44 1xdm h GLN 164 N 0.04 0.37 -0.53 2.37 4.15 -0.57 0.21 115.11 121.16 1xdm h GLN 164 Ca 0.85 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 60.07 1xdm h GLN 164 Cb 2.92 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 30.57 1xdm h GLN 164 CO -0.31 0.67 0.18 0.93 -1.93 0.00 0.00 178.83 178.37 1xdm h GLU 165 N 0.06 0.82 0.40 1.69 4.39 0.51 -1.04 114.58 121.41 1xdm h GLU 165 Ca 0.04 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1xdm h GLU 165 Cb 0.56 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1xdm h GLU 165 CO 0.03 0.74 -0.37 -0.91 -1.16 0.00 0.00 179.01 177.34 1xdm h ASN 166 N 0.73 -0.98 -0.57 1.42 4.21 -1.15 0.88 115.58 120.12 1xdm h ASN 166 Ca 0.17 0.08 0.11 0.00 1.21 0.00 0.00 56.30 57.88 1xdm h ASN 166 Cb 0.25 0.32 -0.11 0.00 -1.12 0.00 0.00 38.32 37.67 1xdm h ASN 166 CO -0.01 -0.52 -0.18 0.00 -1.29 0.00 0.00 177.43 175.43 1xdm h ALA 167 N -0.36 0.30 -0.06 -0.83 0.00 -0.37 -0.88 119.26 117.05 1xdm h ALA 167 Ca -0.03 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1xdm h ALA 167 Cb 0.69 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xdm h ALA 167 CO -0.04 -0.48 -0.50 -0.91 0.00 0.00 0.00 179.25 177.32 1xdm h ASN 168 N -0.04 0.18 0.30 0.00 2.35 -0.74 -2.63 115.58 114.99 1xdm h ASN 168 Ca 0.27 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1xdm h ASN 168 Cb 0.46 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xdm h ASN 168 CO -0.61 0.65 -0.14 0.00 -1.65 0.00 0.00 177.43 175.68 1xdm h ALA 169 N 1.36 -0.40 0.00 -0.83 0.00 -0.26 -0.87 119.26 118.25 1xdm h ALA 169 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xdm h ALA 169 Cb 0.93 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xdm h ALA 169 CO 0.07 -0.55 0.32 -0.07 0.00 0.00 0.00 179.25 179.03 1xdm h LEU 170 N -0.76 0.00 0.00 0.00 3.38 -1.11 0.20 115.31 117.01 1xdm h LEU 170 Ca -0.04 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.61 1xdm h LEU 170 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1xdm h LEU 170 CO 0.07 0.00 -2.28 0.00 0.09 0.00 0.00 178.44 176.31 1xdm n ALA 171 N -1.56 1.65 0.19 1.53 0.00 -0.90 -3.23 120.51 118.19 1xdm n ALA 171 Ca -0.01 -1.20 -0.12 0.00 0.00 0.00 0.00 53.44 52.12 1xdm n ALA 171 Cb 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 1xdm n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xdm h ARG 172 N 0.00 -0.52 -0.99 0.00 3.08 0.76 -2.48 114.38 114.22 1xdm h ARG 172 Ca -0.47 0.04 0.20 0.00 0.07 0.00 0.00 59.98 59.81 1xdm h ARG 172 Cb 2.06 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 32.13 1xdm h ARG 172 CO 0.03 -0.23 0.61 -0.92 -1.07 0.00 0.00 179.97 178.39 1xdm h TYR 173 N -1.00 0.98 0.18 3.04 3.20 -1.52 -0.12 116.97 121.74 1xdm h TYR 173 Ca -0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1xdm h TYR 173 Cb 0.54 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1xdm h TYR 173 CO 0.02 0.21 -0.32 0.00 -1.64 0.00 0.00 178.16 176.43 1xdm h ALA 174 N 1.64 -0.59 0.00 1.82 0.00 -1.50 -1.62 119.26 119.00 1xdm h ALA 174 Ca 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1xdm h ALA 174 Cb 0.97 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1xdm h ALA 174 CO -0.35 -0.88 0.00 0.66 0.00 0.00 0.00 179.25 178.67 1xdm h SER 175 N -0.58 0.00 0.07 0.00 4.64 -0.69 -2.68 113.55 114.31 1xdm h SER 175 Ca 0.02 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 1xdm h SER 175 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1xdm h SER 175 CO -0.15 0.00 -0.57 0.40 -0.87 0.00 0.00 176.83 175.64 1xdm h ILE 176 N 0.00 1.33 0.29 0.95 2.04 -0.29 -1.78 117.51 120.05 1xdm h ILE 176 Ca 0.00 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1xdm h ILE 176 Cb 0.52 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1xdm h ILE 176 CO 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 178.15 178.57 1xdm h GLN 178 N -0.82 0.00 -0.38 0.00 4.20 -1.54 0.62 115.11 117.18 1xdm h GLN 178 Ca -0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1xdm h GLN 178 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1xdm h GLN 178 CO 0.07 0.00 -0.36 0.37 -0.67 0.00 0.00 178.83 178.24 1xdm h GLN 179 N 0.00 0.88 -0.96 1.46 5.75 -1.09 -2.91 115.11 118.23 1xdm h GLN 179 Ca 0.02 -0.44 -0.63 0.00 -0.15 0.00 0.00 58.65 57.44 1xdm h GLN 179 Cb 0.12 0.01 -0.30 0.00 1.07 0.00 0.00 27.48 28.38 1xdm h GLN 179 CO -0.00 1.09 0.69 0.09 -2.65 0.00 0.00 178.83 178.05 1xdm n ASN 180 N -4.06 6.64 -4.13 -0.69 3.02 0.20 -4.94 115.26 111.31 1xdm n ASN 180 Ca -0.02 -3.75 -0.34 0.00 -0.03 0.00 0.00 54.58 50.44 1xdm n ASN 180 Cb 0.52 -0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1xdm n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xdm n GLY 181 N -0.95 -0.42 3.45 7.41 0.00 -0.47 -4.53 105.19 109.68 1xdm n GLY 181 Ca 0.60 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 46.54 1xdm n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xdm s LEU 182 N -7.23 2.59 -0.43 0.99 1.43 -0.44 -4.80 118.68 110.79 1xdm s LEU 182 Ca 0.61 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1xdm s LEU 182 Cb -0.33 -1.03 0.08 0.00 0.03 0.00 0.00 46.19 44.94 1xdm s LEU 182 CO 0.90 -0.00 0.28 -0.69 0.23 0.00 0.00 176.35 177.07 1xdm s VAL 183 N -2.59 4.34 -0.19 -1.59 1.01 -0.72 -3.44 120.40 117.22 1xdm s VAL 183 Ca 0.29 -1.39 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 1xdm s VAL 183 Cb -0.04 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xdm s VAL 183 CO 0.14 -0.53 2.16 -2.16 0.00 0.00 0.00 175.10 174.71 1xdm s PRO 184 N 1.44 3.27 -1.00 2.72 0.04 -1.26 -2.87 135.00 137.35 1xdm s PRO 184 Ca 0.03 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1xdm s PRO 184 Cb -0.23 -4.34 0.13 0.00 0.04 0.00 0.00 34.50 30.10 1xdm s PRO 184 CO 0.02 -1.94 1.24 0.42 0.04 0.00 0.00 177.00 176.79 1xdm s ILE 185 N 7.72 4.66 -0.19 0.56 1.01 -0.81 -3.39 121.20 130.75 1xdm s ILE 185 Ca 0.98 -1.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.63 1xdm s ILE 185 Cb -0.34 -4.85 -0.08 0.00 0.01 0.00 0.00 42.46 37.20 1xdm s ILE 185 CO 0.36 -1.60 2.13 0.52 0.00 0.00 0.00 174.94 176.35 1xdm n VAL 186 N 5.54 0.40 -3.87 2.92 0.31 -0.50 -4.45 118.33 118.69 1xdm n VAL 186 Ca 0.28 -0.32 -0.36 0.00 -0.01 0.00 0.00 64.34 63.93 1xdm n VAL 186 Cb 0.48 -2.24 -0.14 0.00 -0.91 0.00 0.00 33.84 31.04 1xdm n VAL 186 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xdm s GLU 187 N 5.74 2.97 0.00 5.55 2.12 -1.26 -1.95 118.70 131.87 1xdm s GLU 187 Ca 1.00 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 55.42 1xdm s GLU 187 Cb -0.51 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1xdm s GLU 187 CO 0.42 -0.41 0.00 -2.30 -0.54 0.00 0.00 175.26 172.42 1xdm n PRO 188 N 4.76 0.97 -3.90 4.30 -0.02 -1.26 -4.46 135.00 135.39 1xdm n PRO 188 Ca -0.16 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.16 1xdm n PRO 188 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.89 1xdm n PRO 188 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xdm n GLU 189 N -0.03 0.36 0.00 -0.52 0.28 -1.26 -4.83 120.64 114.64 1xdm n GLU 189 Ca 0.00 -2.83 0.00 0.00 -0.16 0.00 0.00 57.16 54.17 1xdm n GLU 189 Cb 0.00 2.30 0.00 0.00 1.43 0.00 0.00 31.44 35.17 1xdm n GLU 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1xdm n VAL 190 N -0.54 0.00 -5.19 3.84 0.31 -1.26 -4.97 118.33 110.52 1xdm n VAL 190 Ca 0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.09 1xdm n VAL 190 Cb 0.51 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.28 1xdm n VAL 190 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1xdm s ILE 191 N -2.00 1.91 0.33 2.52 1.01 -1.26 -5.03 121.20 118.68 1xdm s ILE 191 Ca 0.00 -1.01 0.16 0.00 0.00 0.00 0.00 60.65 59.80 1xdm s ILE 191 Cb 0.00 -1.60 0.16 0.00 0.01 0.00 0.00 42.46 41.03 1xdm s ILE 191 CO 0.00 0.54 1.42 -0.65 0.00 0.00 0.00 174.94 176.25 1xdm h PRO 192 N 5.84 0.00 -6.21 2.79 0.11 -2.02 -3.50 132.00 129.01 1xdm h PRO 192 Ca -0.36 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.42 1xdm h PRO 192 Cb 1.15 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.44 1xdm h PRO 192 CO 0.47 0.00 -0.89 -0.25 -0.21 0.00 0.00 178.00 177.12 1xdm n ASP 193 N -2.35 -2.74 -3.11 -2.05 10.43 -1.26 -5.15 116.55 110.32 1xdm n ASP 193 Ca -0.01 -0.23 0.00 0.00 2.57 0.00 0.00 54.79 57.12 1xdm n ASP 193 Cb 0.45 -0.78 0.00 0.00 1.84 0.00 0.00 41.12 42.63 1xdm n ASP 193 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1xdm n ASP 197 N -0.58 0.00 0.34 -2.24 5.75 -1.26 -5.02 116.55 113.54 1xdm n ASP 197 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.62 1xdm n ASP 197 Cb 0.49 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 1xdm n ASP 197 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1xdm h LEU 198 N 0.00 -1.26 -1.59 -2.12 5.85 -1.97 -1.27 115.31 112.95 1xdm h LEU 198 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xdm h LEU 198 Cb 0.00 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1xdm h LEU 198 CO 0.00 -0.68 0.20 -0.08 -0.34 0.00 0.00 178.44 177.54 1xdm h GLU 199 N -1.05 0.00 0.09 1.25 4.81 -1.98 0.53 114.58 118.23 1xdm h GLU 199 Ca -0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xdm h GLU 199 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1xdm h GLU 199 CO 0.01 0.00 -0.05 1.25 -0.73 0.00 0.00 179.01 179.49 1xdm h HIS 200 N 0.00 -0.12 -0.19 0.92 2.76 -1.71 -2.62 115.15 114.20 1xdm h HIS 200 Ca 0.00 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1xdm h HIS 200 Cb 0.40 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1xdm h HIS 200 CO 0.00 -0.07 0.17 0.00 -1.30 0.00 0.00 177.93 176.73 1xdm h GLN 202 N 0.00 -0.39 -0.96 0.00 4.15 -1.04 -1.73 115.11 115.14 1xdm h GLN 202 Ca 0.09 0.03 0.28 0.00 0.77 0.00 0.00 58.65 59.82 1xdm h GLN 202 Cb 0.43 0.09 -0.14 0.00 0.21 0.00 0.00 27.48 28.07 1xdm h GLN 202 CO -0.00 -0.26 0.47 -0.92 -1.93 0.00 0.00 178.83 176.19 1xdm h TYR 203 N -0.70 0.77 0.12 3.99 3.20 -1.12 0.95 116.97 124.19 1xdm h TYR 203 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1xdm h TYR 203 Cb 0.31 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1xdm h TYR 203 CO 0.05 -0.14 -0.06 0.28 -1.64 0.00 0.00 178.16 176.65 1xdm h VAL 204 N 0.34 1.02 -0.88 1.81 2.07 -1.46 -2.86 116.25 116.29 1xdm h VAL 204 Ca 0.66 -0.60 0.21 0.00 0.82 0.00 0.00 66.70 67.78 1xdm h VAL 204 Cb 1.41 1.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.45 1xdm h VAL 204 CO -0.59 0.14 0.38 0.74 0.02 0.00 0.00 177.57 178.26 1xdm h THR 205 N -0.45 0.51 -0.37 2.57 2.02 0.11 -0.40 112.91 116.89 1xdm h THR 205 Ca -0.02 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1xdm h THR 205 Cb 0.36 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1xdm h THR 205 CO 0.03 0.08 -0.17 -0.33 0.37 0.00 0.00 175.52 175.49 1xdm h GLU 206 N 0.42 0.68 0.42 6.66 5.08 -1.22 -0.84 114.58 125.78 1xdm h GLU 206 Ca 0.53 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1xdm h GLU 206 Cb 0.98 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xdm h GLU 206 CO -0.51 0.82 -0.20 0.87 -1.00 0.00 0.00 179.01 178.99 1xdm h LYS 207 N 0.61 -0.54 -1.13 2.33 1.57 -0.89 -1.95 116.57 116.57 1xdm h LYS 207 Ca 0.10 0.04 0.33 0.00 -1.87 0.00 0.00 60.65 59.24 1xdm h LYS 207 Cb 0.64 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1xdm h LYS 207 CO 0.04 -0.36 0.86 0.28 -0.57 0.00 0.00 179.45 179.71 1xdm h VAL 208 N -0.72 0.36 0.00 0.50 2.07 -1.24 0.34 116.25 117.55 1xdm h VAL 208 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xdm h VAL 208 Cb 0.43 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1xdm h VAL 208 CO 0.09 0.00 -0.77 -0.07 0.02 0.00 0.00 177.57 176.85 1xdm h LEU 209 N 0.00 0.00 0.16 2.57 3.38 -1.06 -3.15 115.31 117.21 1xdm h LEU 209 Ca 0.54 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.20 1xdm h LEU 209 Cb 2.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 43.01 1xdm h LEU 209 CO -0.01 0.05 -1.46 0.00 0.09 0.00 0.00 178.44 177.11 1xdm h ALA 210 N 1.95 0.10 -0.38 1.53 0.00 0.44 -2.77 119.26 120.14 1xdm h ALA 210 Ca -0.01 -0.99 0.05 0.00 0.00 0.00 0.00 54.91 53.96 1xdm h ALA 210 Cb 1.05 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1xdm h ALA 210 CO 0.00 0.97 0.11 0.00 0.00 0.00 0.00 179.25 180.34 1xdm h ALA 211 N 0.40 0.43 -0.04 0.00 0.00 -1.38 -1.20 119.26 117.47 1xdm h ALA 211 Ca -0.23 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xdm h ALA 211 Cb 2.05 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1xdm h ALA 211 CO 0.20 -0.28 -0.00 0.28 0.00 0.00 0.00 179.25 179.45 1xdm h VAL 212 N 0.26 1.26 0.00 0.00 2.07 -1.60 0.24 116.25 118.48 1xdm h VAL 212 Ca 0.18 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1xdm h VAL 212 Cb 0.17 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1xdm h VAL 212 CO -0.20 0.21 0.00 1.88 0.02 0.00 0.00 177.57 179.48 1xdm h TYR 213 N -0.25 0.00 0.06 1.57 0.05 -1.46 0.12 116.97 117.07 1xdm h TYR 213 Ca 0.01 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 1xdm h TYR 213 Cb 0.34 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.09 1xdm h TYR 213 CO 0.04 0.00 -0.43 -0.22 -1.05 0.00 0.00 178.16 176.50 1xdm h LYS 214 N 0.00 0.19 0.12 4.88 1.63 -1.12 -2.97 116.57 119.29 1xdm h LYS 214 Ca 0.00 -0.28 0.02 0.00 -0.85 0.00 0.00 60.65 59.54 1xdm h LYS 214 Cb 0.61 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 1xdm h LYS 214 CO 0.00 1.09 -0.46 0.00 -3.45 0.00 0.00 179.45 176.63 1xdm h ALA 215 N 0.11 -0.83 -0.08 5.00 0.00 -0.05 0.12 119.26 123.53 1xdm h ALA 215 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xdm h ALA 215 Cb 1.29 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1xdm h ALA 215 CO 0.08 -1.03 0.29 -0.07 0.00 0.00 0.00 179.25 178.51 1xdm h LEU 216 N -0.69 0.00 0.14 0.00 3.38 -0.87 -0.46 115.31 116.81 1xdm h LEU 216 Ca 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 1xdm h LEU 216 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1xdm h LEU 216 CO -0.26 0.00 -1.40 -1.13 0.09 0.00 0.00 178.44 175.74 1xdm h ASN 217 N 0.00 0.47 -0.49 -0.43 -0.73 -0.68 0.17 115.58 113.89 1xdm h ASN 217 Ca 0.04 -0.89 0.07 0.00 1.87 0.00 0.00 56.30 57.39 1xdm h ASN 217 Cb 0.61 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.02 1xdm h ASN 217 CO -0.00 1.63 0.33 0.44 -0.37 0.00 0.00 177.43 179.46 1xdm h ASP 218 N -0.20 0.31 -0.25 1.15 3.32 0.53 0.21 116.42 121.50 1xdm h ASP 218 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xdm h ASP 218 Cb 1.84 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1xdm h ASP 218 CO 0.11 0.20 0.00 1.41 -1.72 0.00 0.00 179.24 179.24 1xdm n HIS 219 N -4.47 0.32 -3.61 4.55 8.25 -0.72 -4.97 115.22 114.57 1xdm n HIS 219 Ca 0.07 -0.16 -0.27 0.00 -0.26 0.00 0.00 57.72 57.10 1xdm n HIS 219 Cb 0.30 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.46 1xdm n HIS 219 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xdm n HIS 220 N 0.56 -2.01 -3.21 4.41 -0.00 0.75 -4.93 115.22 110.79 1xdm n HIS 220 Ca 0.16 0.59 -0.39 0.00 0.46 0.00 0.00 57.72 58.54 1xdm n HIS 220 Cb 0.37 -3.71 -0.06 0.00 -0.12 0.00 0.00 29.99 26.47 1xdm n HIS 220 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1xdm s VAL 221 N -3.50 5.08 -0.93 3.57 1.01 0.58 -4.96 120.40 121.24 1xdm s VAL 221 Ca 0.39 1.03 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 1xdm s VAL 221 Cb -0.12 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 1xdm s VAL 221 CO 0.83 0.16 2.22 -0.47 0.00 0.00 0.00 175.10 177.84 1xdm s TYR 222 N 1.70 1.30 0.53 5.22 5.04 -1.26 -4.73 117.35 125.15 1xdm s TYR 222 Ca 0.26 1.83 0.37 0.00 -2.44 0.00 0.00 57.07 57.09 1xdm s TYR 222 Cb -0.16 -3.51 1.54 0.00 0.35 0.00 0.00 41.96 40.19 1xdm s TYR 222 CO 0.10 -1.26 1.74 -0.07 -1.34 0.00 0.00 175.55 174.72 1xdm h LEU 223 N 21.62 0.06 0.00 6.97 3.38 -1.93 0.32 115.31 145.73 1xdm h LEU 223 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xdm h LEU 223 Cb 1.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xdm h LEU 223 CO 1.05 -0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.95 1xdm n GLU 224 N -4.21 0.12 -2.33 1.13 4.71 -1.26 -2.51 120.64 116.29 1xdm n GLU 224 Ca 0.30 0.19 -0.25 0.00 -0.01 0.00 0.00 57.16 57.39 1xdm n GLU 224 Cb 1.38 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 30.32 1xdm n GLU 224 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xdm n GLY 225 N 0.00 6.02 3.40 0.62 0.00 0.11 -4.30 105.19 111.05 1xdm n GLY 225 Ca 0.05 -2.69 -0.23 0.00 0.00 0.00 0.00 46.02 43.16 1xdm n GLY 225 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xdm s THR 226 N -5.15 0.30 -0.16 2.61 2.01 -1.04 -4.18 115.64 110.03 1xdm s THR 226 Ca 0.48 -2.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.20 1xdm s THR 226 Cb 0.40 -2.41 0.07 0.00 0.01 0.00 0.00 72.50 70.58 1xdm s THR 226 CO -0.10 0.00 0.70 -0.76 -0.69 0.00 0.00 174.62 173.77 1xdm s LEU 227 N -3.49 -0.70 -0.09 4.42 1.43 -1.22 -4.37 118.68 114.65 1xdm s LEU 227 Ca 0.31 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1xdm s LEU 227 Cb 0.02 2.50 -0.02 0.00 0.03 0.00 0.00 46.19 48.72 1xdm s LEU 227 CO 0.20 -0.44 -0.17 -0.22 0.23 0.00 0.00 176.35 175.96 1xdm s LEU 228 N -0.44 2.53 -0.81 1.79 2.96 -0.86 -1.41 118.68 122.44 1xdm s LEU 228 Ca -0.06 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1xdm s LEU 228 Cb -0.02 -1.53 0.26 0.00 0.50 0.00 0.00 46.19 45.40 1xdm s LEU 228 CO 0.06 0.22 0.96 1.17 -1.32 0.00 0.00 176.35 177.44 1xdm n LYS 229 N 3.11 3.08 -1.47 1.98 4.81 -0.82 0.13 118.16 128.98 1xdm n LYS 229 Ca -0.18 -4.61 -0.30 0.00 -0.87 0.00 0.00 58.31 52.36 1xdm n LYS 229 Cb 0.52 -2.36 0.12 0.00 0.02 0.00 0.00 35.03 33.33 1xdm n LYS 229 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1xdm s PRO 230 N -2.38 1.60 0.59 1.64 0.04 -1.26 -4.35 135.00 130.88 1xdm s PRO 230 Ca 0.35 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 1xdm s PRO 230 Cb 0.08 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.87 1xdm s PRO 230 CO -0.00 -1.94 0.81 0.27 0.04 0.00 0.00 177.00 176.18 1xdm n ASN 231 N -3.64 0.91 -4.50 6.66 0.23 -1.26 -1.45 115.26 112.21 1xdm n ASN 231 Ca 0.07 -1.81 -0.34 0.00 -0.53 0.00 0.00 54.58 51.97 1xdm n ASN 231 Cb 0.57 -0.54 -0.12 0.00 -2.08 0.00 0.00 39.78 37.61 1xdm n ASN 231 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1xdm s MET 232 N -4.60 3.39 -0.44 -3.83 -1.94 -1.26 -4.82 119.30 105.81 1xdm s MET 232 Ca 0.52 -0.55 -0.28 0.00 -1.71 0.00 0.00 55.69 53.68 1xdm s MET 232 Cb -0.03 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 1xdm s MET 232 CO 0.35 0.35 1.77 0.08 -0.01 0.00 0.00 175.02 177.56 1xdm s VAL 233 N 0.05 3.49 0.26 -6.03 1.01 -1.26 -5.07 120.40 112.85 1xdm s VAL 233 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1xdm s VAL 233 Cb -0.14 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1xdm s VAL 233 CO 0.03 -0.63 0.05 0.42 0.00 0.00 0.00 175.10 174.97 1xdm s THR 234 N 7.46 0.90 0.30 3.92 -4.23 -1.26 -4.45 115.64 118.28 1xdm s THR 234 Ca 0.73 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1xdm s THR 234 Cb -0.18 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1xdm s THR 234 CO 0.29 -0.14 0.00 0.29 -0.54 0.00 0.00 174.62 174.53 1xdm n LYS 241 N -0.50 -4.02 -3.77 3.99 4.76 -1.26 -4.75 118.16 112.61 1xdm n LYS 241 Ca -0.03 2.90 -0.36 0.00 -2.87 0.00 0.00 58.31 57.96 1xdm n LYS 241 Cb 0.65 -3.20 -0.06 0.00 -1.84 0.00 0.00 35.03 30.59 1xdm n LYS 241 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1xdm s LYS 242 N -2.60 3.58 -0.05 1.97 1.02 -1.26 -5.07 119.74 117.33 1xdm s LYS 242 Ca 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 55.99 1xdm s LYS 242 Cb 0.00 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1xdm s LYS 242 CO 0.00 0.71 -0.10 0.71 -0.92 0.00 0.00 175.35 175.75 1xdm s TYR 243 N -1.16 1.15 0.15 3.18 1.51 -1.26 -5.10 117.35 115.81 1xdm s TYR 243 Ca 0.22 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 1xdm s TYR 243 Cb -0.13 -0.85 -0.07 0.00 -0.11 0.00 0.00 41.96 40.79 1xdm s TYR 243 CO 0.11 -0.19 0.56 -0.08 -1.11 0.00 0.00 175.55 174.85 1xdm s THR 244 N 0.50 4.83 0.60 -0.71 -1.32 -1.26 -4.84 115.64 113.44 1xdm s THR 244 Ca -0.09 0.89 0.30 0.00 -1.21 0.00 0.00 61.69 61.58 1xdm s THR 244 Cb -0.13 -3.76 0.43 0.00 -1.51 0.00 0.00 72.50 67.53 1xdm s THR 244 CO 0.02 0.27 1.47 -0.65 -2.21 0.00 0.00 174.62 173.51 1xdm h PRO 245 N 3.63 0.00 0.91 7.08 0.11 -1.97 0.60 132.00 142.37 1xdm h PRO 245 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1xdm h PRO 245 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xdm h PRO 245 CO 0.65 0.00 -0.44 0.93 -0.21 0.00 0.00 178.00 178.94 1xdm h GLU 246 N 0.00 -1.18 0.59 1.05 3.07 -1.92 -1.51 114.58 114.68 1xdm h GLU 246 Ca 0.48 0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.39 1xdm h GLU 246 Cb 2.62 0.27 0.01 0.00 -0.84 0.00 0.00 28.75 30.80 1xdm h GLU 246 CO -0.01 -0.79 -0.28 1.96 -1.40 0.00 0.00 179.01 178.49 1xdm h GLN 247 N -1.24 -0.77 -1.11 2.33 4.20 -0.22 -0.99 115.11 117.30 1xdm h GLN 247 Ca -0.13 0.05 0.32 0.00 0.06 0.00 0.00 58.65 58.96 1xdm h GLN 247 Cb 0.94 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1xdm h GLN 247 CO 0.21 -0.46 0.85 0.28 -0.67 0.00 0.00 178.83 179.04 1xdm h VAL 248 N -1.11 0.36 0.17 -0.54 2.07 -1.32 0.28 116.25 116.16 1xdm h VAL 248 Ca -0.08 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.12 1xdm h VAL 248 Cb 0.66 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1xdm h VAL 248 CO 0.13 0.00 -1.56 0.00 0.02 0.00 0.00 177.57 176.16 1xdm h ALA 249 N 1.34 0.10 0.52 1.67 0.00 -1.13 -3.25 119.26 118.51 1xdm h ALA 249 Ca 0.53 -1.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1xdm h ALA 249 Cb 2.23 0.40 0.01 0.00 0.00 0.00 0.00 17.79 20.43 1xdm h ALA 249 CO -0.01 0.88 -0.25 1.98 0.00 0.00 0.00 179.25 181.85 1xdm h MET 250 N -0.03 -0.67 -0.96 0.00 -1.53 0.81 0.16 114.93 112.71 1xdm h MET 250 Ca -0.31 0.05 0.38 0.00 -3.44 0.00 0.00 59.70 56.37 1xdm h MET 250 Cb 1.99 0.15 -0.17 0.00 -0.55 0.00 0.00 31.60 33.01 1xdm h MET 250 CO 0.16 -0.44 0.42 0.00 0.14 0.00 0.00 176.91 177.18 1xdm n ALA 251 N -2.42 0.89 0.19 0.39 0.00 0.40 -0.30 120.51 119.65 1xdm n ALA 251 Ca -0.09 0.99 -0.08 0.00 0.00 0.00 0.00 53.44 54.26 1xdm n ALA 251 Cb 0.27 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 1xdm n ALA 251 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xdm h THR 252 N 0.00 0.00 -0.77 0.00 2.02 -1.53 -2.91 112.91 109.73 1xdm h THR 252 Ca 0.77 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 67.68 1xdm h THR 252 Cb 1.97 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 1xdm h THR 252 CO -0.77 0.00 0.50 0.58 0.37 0.00 0.00 175.52 176.20 1xdm h VAL 253 N -0.88 0.97 0.00 3.16 2.07 0.50 0.20 116.25 122.27 1xdm h VAL 253 Ca -0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xdm h VAL 253 Cb 0.40 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1xdm h VAL 253 CO 0.09 0.13 0.00 0.41 0.02 0.00 0.00 177.57 178.22 1xdm n THR 254 N -4.50 0.00 -0.33 2.57 -1.04 0.58 -0.14 114.28 111.43 1xdm n THR 254 Ca 0.12 1.31 0.25 0.00 -2.04 0.00 0.00 64.05 63.69 1xdm n THR 254 Cb 0.30 -2.10 0.48 0.00 -1.82 0.00 0.00 70.33 67.19 1xdm n THR 254 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xdm h ALA 255 N -1.73 1.93 -0.60 2.41 0.00 -1.21 0.31 119.26 120.37 1xdm h ALA 255 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1xdm h ALA 255 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xdm h ALA 255 CO 0.00 -0.65 0.10 -0.07 0.00 0.00 0.00 179.25 178.63 1xdm h LEU 256 N 0.23 0.95 -0.69 0.00 3.38 0.07 -2.59 115.31 116.66 1xdm h LEU 256 Ca 0.74 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1xdm h LEU 256 Cb 1.75 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1xdm h LEU 256 CO -0.66 0.97 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1xdm n HIS 257 N -4.30 0.22 -0.06 1.13 1.44 0.10 -1.19 115.22 112.56 1xdm n HIS 257 Ca 0.03 -0.11 -0.18 0.00 -2.01 0.00 0.00 57.72 55.45 1xdm n HIS 257 Cb 0.27 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.25 1xdm n HIS 257 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xdm n ARG 258 N -0.00 0.70 -0.07 -1.40 5.12 -0.80 -4.82 116.66 115.39 1xdm n ARG 258 Ca 0.09 0.20 -0.12 0.00 -1.93 0.00 0.00 57.85 56.09 1xdm n ARG 258 Cb 0.18 -1.63 -0.05 0.00 -1.16 0.00 0.00 32.46 29.80 1xdm n ARG 258 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1xdm n THR 259 N -3.32 0.74 -2.66 0.55 -2.24 -1.09 -5.00 114.28 101.27 1xdm n THR 259 Ca -0.36 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1xdm n THR 259 Cb 1.03 -1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 1xdm n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xdm s VAL 260 N -2.25 4.36 0.67 2.28 1.01 -0.34 -4.87 120.40 121.26 1xdm s VAL 260 Ca -0.18 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 1xdm s VAL 260 Cb 0.06 -4.51 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 1xdm s VAL 260 CO 0.26 -0.79 0.18 -2.65 0.00 0.00 0.00 175.10 172.10 1xdm n PRO 261 N 7.39 0.21 0.00 2.72 -0.02 -1.26 -4.75 135.00 139.28 1xdm n PRO 261 Ca 0.11 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 1xdm n PRO 261 Cb 0.48 -1.47 0.66 0.00 -0.02 0.00 0.00 33.50 33.15 1xdm n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xdm n ALA 262 N -2.04 2.45 0.01 3.55 0.00 -1.26 -2.99 120.51 120.23 1xdm n ALA 262 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1xdm n ALA 262 Cb 0.49 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 1xdm n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xdm h ALA 263 N 3.49 0.70 -2.31 0.00 0.00 -1.93 -3.45 119.26 115.75 1xdm h ALA 263 Ca 0.00 -1.16 -0.54 0.00 0.00 0.00 0.00 54.91 53.22 1xdm h ALA 263 Cb 0.00 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xdm h ALA 263 CO 0.00 1.27 1.17 0.08 0.00 0.00 0.00 179.25 181.77 1xdm s VAL 264 N -2.74 3.27 -0.50 0.00 1.01 -1.16 -4.07 120.40 116.21 1xdm s VAL 264 Ca -0.03 0.32 0.24 0.00 0.00 0.00 0.00 61.98 62.51 1xdm s VAL 264 Cb 0.08 -3.21 0.25 0.00 0.00 0.00 0.00 36.38 33.50 1xdm s VAL 264 CO 0.82 -0.03 1.72 -0.81 0.00 0.00 0.00 175.10 176.79 1xdm n PRO 265 N 7.37 0.20 -3.64 2.72 -0.04 -1.26 -4.65 135.00 135.69 1xdm n PRO 265 Ca 0.19 0.41 -0.08 0.00 -0.04 0.00 0.00 63.50 63.98 1xdm n PRO 265 Cb 0.42 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 1xdm n PRO 265 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xdm s GLY 266 N -3.55 -0.06 -0.37 0.55 0.00 -1.26 -3.09 107.32 99.53 1xdm s GLY 266 Ca 0.05 2.85 -0.06 0.00 0.00 0.00 0.00 44.72 47.55 1xdm s GLY 266 CO 0.41 1.91 0.17 -0.42 0.00 0.00 0.00 173.10 175.17 1xdm s ILE 267 N 0.29 3.80 -0.95 0.90 1.01 0.25 -2.03 121.20 124.46 1xdm s ILE 267 Ca 0.03 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 1xdm s ILE 267 Cb -0.05 -3.28 0.24 0.00 0.01 0.00 0.00 42.46 39.38 1xdm s ILE 267 CO -0.08 -0.37 0.92 0.00 0.00 0.00 0.00 174.94 175.41 1xdm n PHE 269 N 3.46 0.84 -3.55 0.00 3.01 -0.83 -3.66 117.46 116.73 1xdm n PHE 269 Ca 0.18 0.78 -0.38 0.00 1.01 0.00 0.00 57.45 59.04 1xdm n PHE 269 Cb 0.44 -2.18 -0.06 0.00 -0.01 0.00 0.00 39.48 37.66 1xdm n PHE 269 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 1xdm s LEU 270 N 1.09 4.46 0.00 4.37 0.05 -0.53 -1.56 118.68 126.55 1xdm s LEU 270 Ca 0.67 0.89 0.24 0.00 0.05 0.00 0.00 54.13 55.97 1xdm s LEU 270 Cb -0.84 -2.51 0.87 0.00 -2.05 0.00 0.00 46.19 41.67 1xdm s LEU 270 CO 0.56 0.33 1.63 -1.54 -0.55 0.00 0.00 176.35 176.78 1xdm n SER 271 N 1.89 1.64 -0.46 1.48 3.41 -1.26 -4.46 113.62 115.85 1xdm n SER 271 Ca -0.15 -1.62 -0.06 0.00 -0.26 0.00 0.00 58.87 56.78 1xdm n SER 271 Cb 0.53 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1xdm n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xdm n GLY 272 N 1.16 -0.02 0.81 5.00 0.00 -1.26 0.02 105.19 110.90 1xdm n GLY 272 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1xdm n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdm n GLY 273 N 0.81 2.80 3.78 -0.02 0.00 -1.26 -5.04 105.19 106.26 1xdm n GLY 273 Ca 0.06 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1xdm n GLY 273 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xdm s MET 274 N 0.00 3.32 0.75 1.61 -1.94 0.10 -5.03 119.30 118.12 1xdm s MET 274 Ca 0.00 1.49 -0.11 0.00 -1.71 0.00 0.00 55.69 55.36 1xdm s MET 274 Cb 0.00 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.87 1xdm s MET 274 CO 0.00 -0.85 1.08 -1.54 -0.01 0.00 0.00 175.02 173.70 1xdm s SER 275 N -2.05 4.84 0.41 3.03 1.04 -1.26 -4.61 113.70 115.09 1xdm s SER 275 Ca 0.70 1.55 0.12 0.00 0.48 0.00 0.00 55.95 58.80 1xdm s SER 275 Cb -0.21 -2.34 0.96 0.00 0.10 0.00 0.00 66.02 64.53 1xdm s SER 275 CO 0.29 -1.78 1.94 -0.33 0.98 0.00 0.00 173.24 174.34 1xdm h GLU 276 N -0.95 0.49 0.04 4.02 5.08 -1.87 -0.54 114.58 120.86 1xdm h GLU 276 Ca -0.45 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1xdm h GLU 276 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xdm h GLU 276 CO 0.56 0.33 -0.02 1.49 -1.00 0.00 0.00 179.01 180.37 1xdm h GLU 277 N 0.51 -0.06 -0.41 2.33 4.57 -1.91 -2.93 114.58 116.68 1xdm h GLU 277 Ca 0.34 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.43 1xdm h GLU 277 Cb 0.61 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1xdm h GLU 277 CO -0.11 0.31 -0.12 -0.44 -1.18 0.00 0.00 179.01 177.47 1xdm h ASP 278 N -0.44 0.73 -0.19 1.04 3.32 -1.79 0.53 116.42 119.62 1xdm h ASP 278 Ca -0.01 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1xdm h ASP 278 Cb 0.40 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1xdm h ASP 278 CO 0.01 0.88 0.13 0.00 -1.72 0.00 0.00 179.24 178.54 1xdm h ALA 279 N 1.19 2.03 0.09 3.45 0.00 -1.13 -0.65 119.26 124.25 1xdm h ALA 279 Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1xdm h ALA 279 Cb 0.59 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xdm h ALA 279 CO 0.04 -0.07 -0.68 1.15 0.00 0.00 0.00 179.25 179.68 1xdm h THR 280 N 0.12 1.50 -0.85 0.00 2.02 -1.08 -1.92 112.91 112.70 1xdm h THR 280 Ca 0.08 -2.45 0.04 0.00 0.77 0.00 0.00 66.41 64.86 1xdm h THR 280 Cb 0.19 3.14 -0.05 0.00 -1.74 0.00 0.00 68.15 69.69 1xdm h THR 280 CO -0.01 0.66 0.54 -0.07 0.37 0.00 0.00 175.52 177.01 1xdm h LEU 281 N -0.58 0.88 -0.31 2.58 3.38 -0.66 0.27 115.31 120.87 1xdm h LEU 281 Ca -0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 1xdm h LEU 281 Cb 1.45 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xdm h LEU 281 CO 0.07 0.60 -0.82 0.78 0.09 0.00 0.00 178.44 179.16 1xdm h ASN 282 N 1.03 0.48 0.80 -0.43 4.21 -1.25 0.53 115.58 120.95 1xdm h ASN 282 Ca 0.35 -0.35 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 1xdm h ASN 282 Cb 0.05 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1xdm h ASN 282 CO -0.13 1.11 -0.67 0.25 -1.29 0.00 0.00 177.43 176.70 1xdm h LEU 283 N 0.24 0.00 0.28 1.61 5.85 -0.95 -0.42 115.31 121.93 1xdm h LEU 283 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1xdm h LEU 283 Cb 1.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1xdm h LEU 283 CO 0.14 0.67 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.65 1xdm h ASN 284 N 0.00 -0.32 -0.43 1.25 -1.24 -0.38 -2.88 115.58 111.58 1xdm h ASN 284 Ca -0.01 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1xdm h ASN 284 Cb 1.25 0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.34 1xdm h ASN 284 CO 0.09 0.02 -0.25 0.00 -1.29 0.00 0.00 177.43 175.99 1xdm n ALA 285 N -2.58 -0.27 -0.27 1.57 0.00 0.18 0.16 120.51 119.30 1xdm n ALA 285 Ca -0.05 0.36 0.33 0.00 0.00 0.00 0.00 53.44 54.09 1xdm n ALA 285 Cb 0.15 0.17 0.72 0.00 0.00 0.00 0.00 19.45 20.50 1xdm n ALA 285 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xdm h ILE 286 N 0.00 0.34 0.00 0.00 2.04 -1.19 0.64 117.51 119.33 1xdm h ILE 286 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1xdm h ILE 286 Cb 0.18 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1xdm h ILE 286 CO -0.40 0.00 -0.23 0.59 0.00 0.00 0.00 178.15 178.11 1xdm n ASN 287 N -4.00 0.73 -0.00 1.72 5.03 0.43 -3.67 115.26 115.50 1xdm n ASN 287 Ca 0.23 0.39 0.07 0.00 0.87 0.00 0.00 54.58 56.15 1xdm n ASN 287 Cb 1.22 -0.42 -0.09 0.00 -1.02 0.00 0.00 39.78 39.46 1xdm n ASN 287 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1xdm n LEU 288 N -2.15 0.68 -4.69 3.41 4.77 0.21 -4.77 117.00 114.46 1xdm n LEU 288 Ca 0.05 -0.46 -0.53 0.00 -0.03 0.00 0.00 56.01 55.04 1xdm n LEU 288 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1xdm n LEU 288 CO 0.32 0.17 1.35 0.00 -1.33 0.00 0.00 177.39 177.91 1xdm n PRO 290 N 5.55 0.92 -4.48 0.00 -0.04 -1.26 -4.77 135.00 130.92 1xdm n PRO 290 Ca 0.24 -0.80 -0.25 0.00 -0.04 0.00 0.00 63.50 62.65 1xdm n PRO 290 Cb 0.21 -2.08 -0.08 0.00 -0.04 0.00 0.00 33.50 31.51 1xdm n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xdm s LEU 291 N 0.04 1.95 0.34 1.53 2.01 -1.26 -5.13 118.68 118.15 1xdm s LEU 291 Ca 0.20 -1.68 -0.19 0.00 0.01 0.00 0.00 54.13 52.47 1xdm s LEU 291 Cb 0.06 -0.02 -0.10 0.00 0.01 0.00 0.00 46.19 46.15 1xdm s LEU 291 CO -0.01 -0.94 0.83 -2.84 1.01 0.00 0.00 176.35 174.40 1xdm s PRO 292 N -3.69 4.21 -0.47 1.29 0.02 -1.26 -5.01 135.00 130.09 1xdm s PRO 292 Ca 0.26 0.95 0.06 0.00 0.02 0.00 0.00 61.00 62.29 1xdm s PRO 292 Cb 0.03 -2.49 0.19 0.00 0.02 0.00 0.00 34.50 32.24 1xdm s PRO 292 CO 0.16 0.16 0.58 1.63 -0.33 0.00 0.00 177.00 179.20 1xdm n LYS 293 N -0.11 0.42 0.07 5.54 5.02 -1.26 -4.81 118.16 123.03 1xdm n LYS 293 Ca 0.03 -2.51 0.06 0.00 -2.02 0.00 0.00 58.31 53.87 1xdm n LYS 293 Cb 0.53 -1.54 0.28 0.00 -0.02 0.00 0.00 35.03 34.28 1xdm n LYS 293 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xdm n PRO 294 N 2.78 0.07 -4.64 1.97 -0.04 -1.26 -4.72 135.00 129.15 1xdm n PRO 294 Ca 0.22 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.95 1xdm n PRO 294 Cb 0.53 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1xdm n PRO 294 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1xdm s TRP 295 N -3.21 1.54 0.09 0.54 -0.00 -1.26 -4.98 118.94 111.66 1xdm s TRP 295 Ca 0.01 -0.33 -0.36 0.00 -0.00 0.00 0.00 56.10 55.41 1xdm s TRP 295 Cb 0.04 -0.95 -0.17 0.00 -0.00 0.00 0.00 33.47 32.40 1xdm s TRP 295 CO 0.14 0.03 1.33 1.63 -0.00 0.00 0.00 176.95 180.08 1xdm n LYS 296 N 2.20 1.15 -3.78 3.25 4.76 -1.18 -4.68 118.16 119.88 1xdm n LYS 296 Ca -0.16 0.41 -0.35 0.00 -2.87 0.00 0.00 58.31 55.34 1xdm n LYS 296 Cb 0.54 -2.05 -0.11 0.00 -1.84 0.00 0.00 35.03 31.57 1xdm n LYS 296 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xdm s LEU 297 N 0.50 5.14 0.00 -0.35 1.43 -1.26 0.84 118.68 124.97 1xdm s LEU 297 Ca 0.84 -2.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.48 1xdm s LEU 297 Cb -0.95 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1xdm s LEU 297 CO 0.47 -0.44 0.00 -0.24 0.23 0.00 0.00 176.35 176.37 1xdm n SER 298 N 4.00 0.37 -4.02 2.29 2.88 0.74 -4.65 113.62 115.23 1xdm n SER 298 Ca 0.03 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.40 1xdm n SER 298 Cb 0.39 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.71 1xdm n SER 298 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1xdm s PHE 299 N 2.09 0.70 -0.45 0.66 -0.71 -1.26 -1.96 117.98 117.05 1xdm s PHE 299 Ca 0.00 -0.20 0.08 0.00 -1.04 0.00 0.00 56.93 55.78 1xdm s PHE 299 Cb 0.00 -0.44 0.28 0.00 -1.21 0.00 0.00 43.02 41.64 1xdm s PHE 299 CO 0.00 -0.02 0.64 0.45 -1.34 0.00 0.00 175.22 174.95 1xdm n SER 300 N 2.61 1.32 -4.87 1.98 2.88 -0.60 -0.14 113.62 116.80 1xdm n SER 300 Ca -0.15 -2.98 -0.31 0.00 -1.33 0.00 0.00 58.87 54.10 1xdm n SER 300 Cb 0.57 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.34 1xdm n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1xdm s TYR 301 N -1.87 3.42 0.00 0.66 4.12 -0.90 -4.56 117.35 118.22 1xdm s TYR 301 Ca 0.38 1.02 0.00 0.00 0.02 0.00 0.00 57.07 58.50 1xdm s TYR 301 Cb 0.21 -2.40 0.00 0.00 -1.52 0.00 0.00 41.96 38.26 1xdm s TYR 301 CO -0.09 0.10 0.00 0.41 0.02 0.00 0.00 175.55 175.99 1xdm n GLY 302 N -0.59 0.41 0.32 0.71 0.00 -1.26 -0.31 105.19 104.47 1xdm n GLY 302 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.21 1xdm n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xdm h ARG 303 N 0.00 0.10 0.00 1.61 -0.00 -1.95 0.64 114.38 114.78 1xdm h ARG 303 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1xdm h ARG 303 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 29.95 1xdm h ARG 303 CO 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 179.97 179.97 1xdm h ALA 304 N 1.90 1.13 0.00 0.04 0.00 -1.88 -0.71 119.26 119.74 1xdm h ALA 304 Ca 0.62 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 55.16 1xdm h ALA 304 Cb 1.36 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1xdm h ALA 304 CO -0.78 0.07 -2.22 1.28 0.00 0.00 0.00 179.25 177.61 1xdm n LEU 305 N -3.35 1.95 0.07 0.00 4.77 0.21 -4.48 117.00 116.17 1xdm n LEU 305 Ca -0.01 -0.08 0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1xdm n LEU 305 Cb 0.22 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1xdm n LEU 305 CO 0.27 0.72 -0.15 0.00 -1.33 0.00 0.00 177.39 176.90 1xdm n GLN 306 N -2.97 0.61 0.00 3.23 6.02 -0.15 -4.44 117.38 119.69 1xdm n GLN 306 Ca -0.35 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1xdm n GLN 306 Cb 0.96 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 30.43 1xdm n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xdm n ALA 307 N -2.26 0.00 -0.12 -1.58 0.00 -0.27 -0.12 120.51 116.15 1xdm n ALA 307 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1xdm n ALA 307 Cb 0.65 0.33 -0.02 0.00 0.00 0.00 0.00 19.45 20.42 1xdm n ALA 307 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xdm h SER 308 N 0.00 0.49 -0.06 0.00 4.64 -1.83 -2.39 113.55 114.40 1xdm h SER 308 Ca 0.00 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1xdm h SER 308 Cb 0.00 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1xdm h SER 308 CO 0.00 0.53 0.27 0.00 -0.87 0.00 0.00 176.83 176.76 1xdm h ALA 309 N 0.97 1.41 0.00 5.18 0.00 -1.67 -0.13 119.26 125.03 1xdm h ALA 309 Ca 0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 1xdm h ALA 309 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1xdm h ALA 309 CO -0.01 -0.30 -2.04 -0.11 0.00 0.00 0.00 179.25 176.80 1xdm n LEU 310 N -3.12 0.36 0.12 0.00 7.94 0.82 -4.04 117.00 119.08 1xdm n LEU 310 Ca -0.01 0.17 -0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1xdm n LEU 310 Cb 0.34 0.31 0.08 0.00 0.53 0.00 0.00 43.42 44.68 1xdm n LEU 310 CO 0.18 0.38 0.41 0.00 -1.11 0.00 0.00 177.39 177.25 1xdm h ALA 311 N 1.13 0.71 0.00 1.96 0.00 -0.56 -2.95 119.26 119.55 1xdm h ALA 311 Ca -0.38 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1xdm h ALA 311 Cb 2.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1xdm h ALA 311 CO 0.04 0.84 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1xdm h ALA 312 N 1.33 1.00 0.16 0.00 0.00 -1.50 -3.17 119.26 117.08 1xdm h ALA 312 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1xdm h ALA 312 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xdm h ALA 312 CO 0.09 0.00 -1.81 2.35 0.00 0.00 0.00 179.25 179.87 1xdm h TRP 313 N 0.00 0.62 -2.47 0.00 7.01 -1.69 -3.41 115.95 116.01 1xdm h TRP 313 Ca 0.00 -0.45 -0.13 0.00 2.11 0.00 0.00 58.89 60.41 1xdm h TRP 313 Cb 0.76 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 1xdm h TRP 313 CO 0.00 1.68 -0.14 0.41 -2.79 0.00 0.00 178.44 177.60 1xdm n GLY 314 N 1.88 0.30 2.85 2.65 0.00 -1.12 -0.11 105.19 111.64 1xdm n GLY 314 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1xdm n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xdm n GLY 315 N -0.28 0.77 3.41 -0.02 0.00 -1.26 -4.85 105.19 102.95 1xdm n GLY 315 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1xdm n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xdm s LYS 316 N -0.15 3.04 0.00 1.61 1.02 0.84 -4.92 119.74 121.19 1xdm s LYS 316 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1xdm s LYS 316 Cb 0.00 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 1xdm s LYS 316 CO 0.00 -1.15 0.60 0.00 -0.92 0.00 0.00 175.35 173.87 1xdm n ALA 317 N 5.68 0.78 0.13 5.17 0.00 -1.26 -0.52 120.51 130.48 1xdm n ALA 317 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1xdm n ALA 317 Cb 0.44 -0.64 0.13 0.00 0.00 0.00 0.00 19.45 19.39 1xdm n ALA 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xdm h ALA 318 N 1.27 0.89 -0.41 0.00 0.00 -1.91 -3.23 119.26 115.87 1xdm h ALA 318 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1xdm h ALA 318 Cb 0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1xdm h ALA 318 CO 0.00 0.83 0.14 0.09 0.00 0.00 0.00 179.25 180.31 1xdm n ASN 319 N -3.73 3.55 -0.30 0.00 3.02 0.32 -4.38 115.26 113.75 1xdm n ASN 319 Ca -0.01 -2.66 0.15 0.00 -0.03 0.00 0.00 54.58 52.03 1xdm n ASN 319 Cb 0.66 -0.64 0.41 0.00 -0.61 0.00 0.00 39.78 39.60 1xdm n ASN 319 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xdm h LYS 320 N 1.58 0.60 0.09 3.52 3.64 -1.75 -1.58 116.57 122.67 1xdm h LYS 320 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1xdm h LYS 320 Cb 1.60 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1xdm h LYS 320 CO 0.40 0.40 -0.07 1.49 -2.27 0.00 0.00 179.45 179.40 1xdm h GLU 321 N 0.62 -0.15 -0.59 1.90 4.22 -1.90 -2.22 114.58 116.46 1xdm h GLU 321 Ca 0.51 0.01 0.07 0.00 0.08 0.00 0.00 59.36 60.04 1xdm h GLU 321 Cb 0.98 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.17 1xdm h GLU 321 CO -0.27 -0.10 -0.52 0.00 -2.18 0.00 0.00 179.01 175.94 1xdm h ALA 322 N -1.72 -0.57 -0.44 2.92 0.00 -1.76 -2.49 119.26 115.20 1xdm h ALA 322 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xdm h ALA 322 Cb 0.13 1.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1xdm h ALA 322 CO 0.00 -0.95 -0.36 1.15 0.00 0.00 0.00 179.25 179.08 1xdm h THR 323 N -0.26 0.00 -0.51 0.00 2.02 -1.31 0.25 112.91 113.11 1xdm h THR 323 Ca 0.13 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.46 1xdm h THR 323 Cb 0.55 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1xdm h THR 323 CO -0.70 0.00 0.55 1.56 0.37 0.00 0.00 175.52 177.30 1xdm h GLN 324 N -0.13 0.00 0.40 6.66 4.20 -0.97 -1.93 115.11 123.35 1xdm h GLN 324 Ca 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1xdm h GLN 324 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1xdm h GLN 324 CO -0.48 0.00 -0.19 0.93 -0.67 0.00 0.00 178.83 178.41 1xdm h GLU 325 N 0.00 -0.52 -0.98 1.46 4.39 -0.14 -2.07 114.58 116.73 1xdm h GLU 325 Ca 0.24 0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.14 1xdm h GLU 325 Cb 1.35 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 30.02 1xdm h GLU 325 CO -0.00 -0.35 0.59 0.00 -1.16 0.00 0.00 179.01 178.09 1xdm h ALA 326 N -1.46 1.56 0.56 3.43 0.00 -0.96 0.47 119.26 122.87 1xdm h ALA 326 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xdm h ALA 326 Cb 0.41 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xdm h ALA 326 CO 0.09 0.02 -0.27 0.35 0.00 0.00 0.00 179.25 179.44 1xdm h PHE 327 N 0.80 -0.70 -0.99 0.00 3.57 -1.44 -0.38 116.94 117.81 1xdm h PHE 327 Ca 0.54 -0.02 0.36 0.00 3.53 0.00 0.00 57.97 62.38 1xdm h PHE 327 Cb 0.74 0.23 -0.17 0.00 2.79 0.00 0.00 35.95 39.55 1xdm h PHE 327 CO -0.02 -0.44 0.45 0.52 -2.23 0.00 0.00 178.31 176.59 1xdm h MET 328 N -0.78 0.10 0.63 1.11 2.86 -0.62 1.07 114.93 119.30 1xdm h MET 328 Ca -0.08 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1xdm h MET 328 Cb 0.58 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.23 1xdm h MET 328 CO 0.13 0.06 -0.30 -0.22 1.06 0.00 0.00 176.91 177.64 1xdm h LYS 329 N 0.10 -0.82 -0.20 1.72 3.64 0.30 -0.62 116.57 120.69 1xdm h LYS 329 Ca 0.76 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 60.10 1xdm h LYS 329 Cb 1.86 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.86 1xdm h LYS 329 CO -0.74 -0.53 -0.27 0.00 -2.27 0.00 0.00 179.45 175.64 1xdm h ARG 330 N -0.91 0.39 -0.31 1.90 2.47 0.10 -1.15 114.38 116.87 1xdm h ARG 330 Ca -0.09 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1xdm h ARG 330 Cb 0.67 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.94 1xdm h ARG 330 CO 0.14 0.63 0.13 0.00 0.56 0.00 0.00 179.97 181.44 1xdm h ALA 331 N 1.38 0.36 -0.05 0.04 0.00 0.12 -2.12 119.26 118.99 1xdm h ALA 331 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xdm h ALA 331 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xdm h ALA 331 CO 0.05 -0.26 -0.32 0.52 0.00 0.00 0.00 179.25 179.24 1xdm h MET 332 N 0.29 0.31 -0.82 0.00 2.86 -0.98 -3.20 114.93 113.38 1xdm h MET 332 Ca 0.13 -0.26 0.13 0.00 -2.06 0.00 0.00 59.70 57.64 1xdm h MET 332 Cb 0.07 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.65 1xdm h MET 332 CO -0.11 0.92 -0.38 0.00 1.06 0.00 0.00 176.91 178.40 1xdm h ALA 333 N 0.39 0.04 -0.18 6.32 0.00 -1.09 0.88 119.26 125.63 1xdm h ALA 333 Ca -0.03 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xdm h ALA 333 Cb 1.00 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1xdm h ALA 333 CO 0.07 -0.66 -0.31 -0.91 0.00 0.00 0.00 179.25 177.43 1xdm h ASN 334 N -0.07 0.36 -0.77 0.00 2.35 -1.50 -2.53 115.58 113.41 1xdm h ASN 334 Ca 0.29 -0.13 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1xdm h ASN 334 Cb 0.57 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.79 1xdm h ASN 334 CO -0.86 0.66 0.46 0.00 -1.65 0.00 0.00 177.43 176.05 1xdm h GLN 336 N 0.84 0.30 -0.84 0.00 4.20 -0.91 -1.30 115.11 117.40 1xdm h GLN 336 Ca 0.34 -0.02 0.18 0.00 0.06 0.00 0.00 58.65 59.22 1xdm h GLN 336 Cb 0.18 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 1xdm h GLN 336 CO -0.18 0.20 0.56 0.00 -0.67 0.00 0.00 178.83 178.74 1xdm h ALA 337 N 1.10 2.22 0.00 3.87 0.00 -0.80 1.16 119.26 126.80 1xdm h ALA 337 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xdm h ALA 337 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xdm h ALA 337 CO -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1xdm h ALA 338 N 1.62 1.00 -0.13 0.00 0.00 0.09 -0.54 119.26 121.30 1xdm h ALA 338 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xdm h ALA 338 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xdm h ALA 338 CO -0.14 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.74 1xdm n LYS 339 N -2.98 1.74 -0.21 0.00 5.02 0.37 -4.72 118.16 117.39 1xdm n LYS 339 Ca 0.01 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1xdm n LYS 339 Cb 0.28 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1xdm n LYS 339 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xdm n GLY 340 N 1.03 0.99 2.20 0.72 0.00 0.69 -4.82 105.19 106.00 1xdm n GLY 340 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1xdm n GLY 340 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xdm n GLN 341 N -2.00 2.92 -4.44 1.61 6.02 -0.63 -4.89 117.38 115.97 1xdm n GLN 341 Ca 0.00 -1.77 -0.22 0.00 -0.01 0.00 0.00 57.00 55.01 1xdm n GLN 341 Cb 0.00 -2.39 -0.16 0.00 1.02 0.00 0.00 30.24 28.72 1xdm n GLN 341 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1xdm s TYR 342 N 1.13 1.09 -0.12 1.08 5.04 -1.26 -4.62 117.35 119.70 1xdm s TYR 342 Ca 0.67 -0.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.01 1xdm s TYR 342 Cb 0.26 -0.79 0.00 0.00 0.35 0.00 0.00 41.96 41.77 1xdm s TYR 342 CO -0.05 -0.15 -0.21 0.08 -1.34 0.00 0.00 175.55 173.88 1xdm s VAL 343 N 0.36 2.23 0.43 3.14 1.01 -1.26 -4.98 120.40 121.33 1xdm s VAL 343 Ca -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1xdm s VAL 343 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1xdm s VAL 343 CO 0.01 0.55 0.71 -2.28 0.00 0.00 0.00 175.10 174.09 1xdm s HIS 344 N 0.49 3.54 0.00 5.22 2.46 -1.26 -5.19 115.29 120.55 1xdm s HIS 344 Ca -0.14 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.07 1xdm s HIS 344 Cb -0.17 -2.18 0.00 0.00 -0.13 0.00 0.00 32.58 30.10 1xdm s HIS 344 CO 0.05 -0.14 0.44 0.25 -2.47 0.00 0.00 174.74 172.87