#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkj s PRO 2 N 0.00 2.91 -0.43 0.00 0.04 -1.26 -4.99 135.00 131.28 1tkj s PRO 2 Ca 0.00 0.88 -0.27 0.00 0.04 0.00 0.00 61.00 61.65 1tkj s PRO 2 Cb 0.00 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1tkj s PRO 2 CO 0.00 -1.10 1.02 0.34 0.04 0.00 0.00 177.00 177.31 1tkj s ASP 3 N -3.86 6.64 0.03 6.66 -1.08 -1.26 -4.76 116.67 119.03 1tkj s ASP 3 Ca 0.58 0.46 -0.30 0.00 -0.52 0.00 0.00 52.55 52.77 1tkj s ASP 3 Cb -0.14 -2.50 -0.07 0.00 -1.46 0.00 0.00 42.92 38.75 1tkj s ASP 3 CO 0.55 -1.06 1.58 -0.63 0.52 0.00 0.00 175.17 176.12 1tkj s ILE 4 N 3.94 3.33 -0.13 4.11 -1.09 -1.26 -4.92 121.20 125.18 1tkj s ILE 4 Ca 0.42 0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 59.25 1tkj s ILE 4 Cb -0.10 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1tkj s ILE 4 CO 0.25 -0.01 1.52 -2.84 -1.23 0.00 0.00 174.94 172.63 1tkj s PRO 5 N 2.79 4.12 0.28 2.79 0.02 -1.26 -4.80 135.00 138.94 1tkj s PRO 5 Ca 0.71 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.64 1tkj s PRO 5 Cb -0.36 -3.93 0.58 0.00 0.02 0.00 0.00 34.50 30.82 1tkj s PRO 5 CO 0.30 -0.90 1.79 1.25 -0.33 0.00 0.00 177.00 179.11 1tkj h LEU 6 N 10.38 0.70 -1.40 -5.54 5.85 -1.94 -0.85 115.31 122.50 1tkj h LEU 6 Ca -0.34 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1tkj h LEU 6 Cb 1.15 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1tkj h LEU 6 CO 0.97 0.31 0.36 0.00 -0.34 0.00 0.00 178.44 179.74 1tkj h ALA 7 N 1.57 1.56 -0.45 1.25 0.00 -1.99 -0.52 119.26 120.68 1tkj h ALA 7 Ca 0.50 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 1tkj h ALA 7 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tkj h ALA 7 CO -0.34 0.40 -0.27 -0.91 0.00 0.00 0.00 179.25 178.12 1tkj h ASN 8 N 0.78 1.02 -0.29 0.00 4.21 -1.55 -0.93 115.58 118.82 1tkj h ASN 8 Ca 0.21 -0.42 -0.01 0.00 1.21 0.00 0.00 56.30 57.29 1tkj h ASN 8 Cb -0.06 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.84 1tkj h ASN 8 CO -0.04 1.22 0.12 0.58 -1.29 0.00 0.00 177.43 178.02 1tkj h VAL 9 N 0.83 1.17 -0.84 2.81 2.07 -1.07 -2.48 116.25 118.74 1tkj h VAL 9 Ca 0.09 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1tkj h VAL 9 Cb 0.86 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1tkj h VAL 9 CO 0.08 0.17 0.55 0.11 0.02 0.00 0.00 177.57 178.50 1tkj h LYS 10 N 0.33 0.92 -0.45 1.57 1.57 -1.02 -1.78 116.57 117.70 1tkj h LYS 10 Ca 0.10 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1tkj h LYS 10 Cb 0.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1tkj h LYS 10 CO -0.01 0.61 -0.11 0.00 -0.57 0.00 0.00 179.45 179.37 1tkj h ALA 11 N 1.54 0.96 -0.90 3.86 0.00 -0.86 0.04 119.26 123.90 1tkj h ALA 11 Ca 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1tkj h ALA 11 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1tkj h ALA 11 CO -0.13 0.61 0.48 0.45 0.00 0.00 0.00 179.25 180.66 1tkj h HIS 12 N 0.74 1.24 -0.67 0.00 3.86 -0.90 -1.53 115.15 117.90 1tkj h HIS 12 Ca 0.12 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1tkj h HIS 12 Cb 0.60 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1tkj h HIS 12 CO 0.03 0.87 0.34 -0.07 0.86 0.00 0.00 177.93 179.96 1tkj h LEU 13 N 1.26 0.87 -0.80 2.43 3.38 -0.75 -0.71 115.31 121.00 1tkj h LEU 13 Ca 0.31 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1tkj h LEU 13 Cb 0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1tkj h LEU 13 CO -0.05 0.75 0.51 0.74 0.09 0.00 0.00 178.44 180.48 1tkj h THR 14 N 0.93 1.14 -0.57 0.22 2.02 -0.66 0.70 112.91 116.69 1tkj h THR 14 Ca 0.23 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1tkj h THR 14 Cb 0.10 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 1tkj h THR 14 CO -0.03 0.18 0.23 1.56 0.37 0.00 0.00 175.52 177.83 1tkj h GLN 15 N 1.01 0.85 -0.40 6.66 1.08 -0.74 -0.76 115.11 122.81 1tkj h GLN 15 Ca 0.31 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1tkj h GLN 15 Cb -0.02 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 1tkj h GLN 15 CO -0.10 0.74 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.44 1tkj h LEU 16 N 0.78 0.60 -0.41 1.46 3.38 -0.63 -0.05 115.31 120.44 1tkj h LEU 16 Ca 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1tkj h LEU 16 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1tkj h LEU 16 CO -0.02 0.68 0.17 -1.28 0.09 0.00 0.00 178.44 178.08 1tkj h SER 17 N 0.60 0.56 -0.65 -0.43 0.87 -0.47 -0.33 113.55 113.70 1tkj h SER 17 Ca 0.12 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1tkj h SER 17 Cb 0.38 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1tkj h SER 17 CO 0.01 0.57 0.11 0.74 -0.53 0.00 0.00 176.83 177.74 1tkj h THR 18 N 0.52 1.26 -0.62 2.23 2.02 -0.86 -0.99 112.91 116.47 1tkj h THR 18 Ca 0.14 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.32 1tkj h THR 18 Cb 0.17 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1tkj h THR 18 CO -0.01 0.38 0.38 0.40 0.37 0.00 0.00 175.52 177.05 1tkj h ILE 19 N 1.02 1.09 -0.49 3.11 2.04 -0.73 0.11 117.51 123.66 1tkj h ILE 19 Ca 0.20 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1tkj h ILE 19 Cb 0.43 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1tkj h ILE 19 CO 0.01 0.14 0.29 0.00 0.00 0.00 0.00 178.15 178.59 1tkj h ALA 20 N 1.26 0.62 -0.48 1.87 0.00 -0.64 -2.43 119.26 119.46 1tkj h ALA 20 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1tkj h ALA 20 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1tkj h ALA 20 CO -0.09 0.11 0.30 0.00 0.00 0.00 0.00 179.25 179.56 1tkj h ALA 21 N 1.14 1.62 0.00 0.00 0.00 -0.64 0.24 119.26 121.62 1tkj h ALA 21 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tkj h ALA 21 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1tkj h ALA 21 CO -0.03 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1tkj n ASN 22 N -4.44 0.00 -2.81 0.00 5.03 -0.03 -4.02 115.26 108.99 1tkj n ASN 22 Ca 0.04 0.12 -0.15 0.00 0.87 0.00 0.00 54.58 55.46 1tkj n ASN 22 Cb 0.07 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 1tkj n ASN 22 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1tkj n ASN 23 N -1.37 1.90 0.00 6.41 4.13 -0.52 -4.96 115.26 120.86 1tkj n ASN 23 Ca 0.11 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.38 1tkj n ASN 23 Cb 0.27 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 1tkj n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tkj n GLY 24 N -0.03 0.75 0.67 7.41 0.00 -1.19 -3.43 105.19 109.37 1tkj n GLY 24 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1tkj n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkj n GLY 25 N -2.46 0.76 3.55 -0.02 0.00 0.74 -5.03 105.19 102.74 1tkj n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1tkj n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tkj s ASN 26 N -2.44 0.29 -0.33 1.61 2.20 -1.21 -3.14 114.94 111.92 1tkj s ASN 26 Ca 0.00 -1.17 0.13 0.00 -0.94 0.00 0.00 52.86 50.88 1tkj s ASN 26 Cb 0.00 0.63 0.46 0.00 -2.00 0.00 0.00 41.25 40.34 1tkj s ASN 26 CO 0.00 -1.23 1.09 0.54 -2.94 0.00 0.00 177.10 174.56 1tkj n ARG 27 N -0.45 2.55 -3.22 3.55 1.74 -1.25 -4.07 116.66 115.50 1tkj n ARG 27 Ca -0.01 -3.90 -0.30 0.00 -0.77 0.00 0.00 57.85 52.87 1tkj n ARG 27 Cb 0.62 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 1tkj n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tkj s ALA 28 N -3.51 3.51 0.14 7.54 0.00 -1.25 -1.49 121.76 126.70 1tkj s ALA 28 Ca 0.39 -0.33 -0.34 0.00 0.00 0.00 0.00 51.96 51.68 1tkj s ALA 28 Cb 0.40 -2.48 -0.16 0.00 0.00 0.00 0.00 23.12 20.87 1tkj s ALA 28 CO -0.04 0.26 1.15 1.58 0.00 0.00 0.00 175.76 178.71 1tkj n HIS 29 N -0.75 1.15 -0.90 0.00 -0.00 -1.26 -1.56 115.22 111.90 1tkj n HIS 29 Ca 0.00 0.74 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1tkj n HIS 29 Cb 0.53 -2.25 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 1tkj n HIS 29 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1tkj n GLY 30 N 2.05 0.89 3.32 1.57 0.00 -1.26 -5.01 105.19 106.74 1tkj n GLY 30 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1tkj n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkj s ARG 31 N -0.10 1.32 0.57 1.61 0.52 -0.60 -4.99 118.95 117.27 1tkj s ARG 31 Ca 0.00 -1.19 0.31 0.00 -0.52 0.00 0.00 55.73 54.33 1tkj s ARG 31 Cb 0.00 -1.64 1.71 0.00 0.52 0.00 0.00 34.95 35.55 1tkj s ARG 31 CO 0.00 0.39 2.17 -1.00 0.02 0.00 0.00 175.30 176.88 1tkj h PRO 32 N 4.18 0.00 0.00 3.54 0.13 -1.87 -1.78 132.00 136.20 1tkj h PRO 32 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1tkj h PRO 32 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1tkj h PRO 32 CO 0.40 0.06 -0.10 0.78 -0.23 0.00 0.00 178.00 178.91 1tkj h GLY 33 N 0.53 0.00 0.34 1.56 0.00 -1.77 -1.68 103.07 102.05 1tkj h GLY 33 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1tkj h GLY 33 CO 0.01 0.00 -0.06 -1.82 0.00 0.00 0.00 176.54 174.67 1tkj h TYR 34 N 0.00 -0.16 -0.45 5.60 3.20 -1.46 -2.35 116.97 121.35 1tkj h TYR 34 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1tkj h TYR 34 Cb 0.25 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1tkj h TYR 34 CO 0.00 0.31 0.25 -0.22 -1.64 0.00 0.00 178.16 176.87 1tkj h LYS 35 N -0.83 0.60 -0.29 1.82 1.63 -1.64 0.13 116.57 117.98 1tkj h LYS 35 Ca -0.02 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 1tkj h LYS 35 Cb 0.55 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1tkj h LYS 35 CO 0.03 0.44 -0.07 0.00 -3.45 0.00 0.00 179.45 176.40 1tkj h ALA 36 N 1.67 1.35 -0.22 5.00 0.00 -1.35 -0.12 119.26 125.58 1tkj h ALA 36 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1tkj h ALA 36 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1tkj h ALA 36 CO -0.03 0.44 0.05 0.77 0.00 0.00 0.00 179.25 180.49 1tkj h SER 37 N 0.43 0.34 -0.45 0.00 0.02 -0.46 -2.10 113.55 111.33 1tkj h SER 37 Ca 0.09 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1tkj h SER 37 Cb 0.40 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 1tkj h SER 37 CO 0.02 0.49 0.06 0.58 -1.14 0.00 0.00 176.83 176.83 1tkj h VAL 38 N 0.17 0.72 -0.81 2.27 2.07 -0.77 -2.11 116.25 117.79 1tkj h VAL 38 Ca 0.07 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1tkj h VAL 38 Cb 0.28 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1tkj h VAL 38 CO 0.00 0.03 0.39 0.44 0.02 0.00 0.00 177.57 178.45 1tkj h ASP 39 N 0.18 1.06 0.20 0.57 3.32 -0.85 0.56 116.42 121.47 1tkj h ASP 39 Ca 0.22 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1tkj h ASP 39 Cb 0.30 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1tkj h ASP 39 CO -0.32 0.90 -0.10 0.22 -1.72 0.00 0.00 179.24 178.22 1tkj h TYR 40 N 1.16 -0.25 -0.45 4.55 3.20 -1.04 -2.03 116.97 122.11 1tkj h TYR 40 Ca 0.28 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1tkj h TYR 40 Cb 0.12 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1tkj h TYR 40 CO 0.01 -0.15 0.16 0.28 -1.64 0.00 0.00 178.16 176.83 1tkj h VAL 41 N -0.29 1.21 -0.78 1.81 2.07 -1.09 -2.81 116.25 116.37 1tkj h VAL 41 Ca -0.03 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1tkj h VAL 41 Cb 0.22 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1tkj h VAL 41 CO 0.05 0.25 0.50 0.50 0.02 0.00 0.00 177.57 178.89 1tkj h LYS 42 N 0.58 1.04 -0.76 1.57 3.64 -0.86 -2.05 116.57 119.73 1tkj h LYS 42 Ca 0.15 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1tkj h LYS 42 Cb 0.23 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1tkj h LYS 42 CO -0.01 0.71 0.29 0.00 -2.27 0.00 0.00 179.45 178.17 1tkj h ALA 43 N 1.27 0.98 -0.42 5.00 0.00 -1.23 0.11 119.26 124.97 1tkj h ALA 43 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1tkj h ALA 43 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1tkj h ALA 43 CO -0.06 0.62 0.25 0.87 0.00 0.00 0.00 179.25 180.93 1tkj h LYS 44 N 1.10 0.58 -0.53 0.00 1.79 -1.21 -2.08 116.57 116.22 1tkj h LYS 44 Ca 0.25 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.59 1tkj h LYS 44 Cb 0.24 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1tkj h LYS 44 CO -0.02 0.44 0.04 -0.07 -1.08 0.00 0.00 179.45 178.76 1tkj h LEU 45 N 0.56 0.88 -0.65 2.94 3.38 -0.91 -2.56 115.31 118.94 1tkj h LEU 45 Ca 0.15 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1tkj h LEU 45 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1tkj h LEU 45 CO -0.03 0.95 0.37 0.44 0.09 0.00 0.00 178.44 180.26 1tkj h ASP 46 N 0.78 0.81 0.43 -0.43 3.32 -0.70 -1.82 116.42 118.80 1tkj h ASP 46 Ca 0.15 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1tkj h ASP 46 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1tkj h ASP 46 CO 0.02 0.66 -0.20 0.00 -1.72 0.00 0.00 179.24 178.00 1tkj h ALA 47 N 1.18 1.30 -0.00 3.45 0.00 -1.25 -2.32 119.26 121.62 1tkj h ALA 47 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1tkj h ALA 47 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tkj h ALA 47 CO -0.04 0.25 -0.20 0.00 0.00 0.00 0.00 179.25 179.26 1tkj n ALA 48 N -2.33 2.91 0.00 0.00 0.00 -0.80 -4.93 120.51 115.36 1tkj n ALA 48 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1tkj n ALA 48 Cb 0.31 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1tkj n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tkj n GLY 49 N 1.37 0.87 3.77 0.00 0.00 -0.87 -4.84 105.19 105.49 1tkj n GLY 49 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1tkj n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tkj s TYR 50 N -2.00 2.66 -0.43 1.61 1.51 -0.75 -4.64 117.35 115.32 1tkj s TYR 50 Ca 0.00 1.54 -0.21 0.00 -1.01 0.00 0.00 57.07 57.39 1tkj s TYR 50 Cb 0.00 -3.27 0.02 0.00 -0.11 0.00 0.00 41.96 38.60 1tkj s TYR 50 CO 0.00 -1.59 0.67 0.99 -1.11 0.00 0.00 175.55 174.51 1tkj s THR 51 N -1.84 4.80 0.07 -0.71 2.01 -0.16 -4.54 115.64 115.26 1tkj s THR 51 Ca 0.72 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.98 1tkj s THR 51 Cb -0.23 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1tkj s THR 51 CO 0.29 -0.59 0.14 0.42 -0.69 0.00 0.00 174.62 174.19 1tkj s THR 52 N 2.91 4.95 -0.05 -0.82 -4.23 -1.26 -0.90 115.64 116.23 1tkj s THR 52 Ca 0.24 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1tkj s THR 52 Cb -0.14 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.32 1tkj s THR 52 CO 0.19 0.14 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.42 1tkj s THR 53 N -1.44 0.98 -0.41 3.99 2.01 0.26 -4.99 115.64 116.04 1tkj s THR 53 Ca 0.32 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 1tkj s THR 53 Cb -0.13 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1tkj s THR 53 CO 0.25 0.32 0.42 -0.76 -0.69 0.00 0.00 174.62 174.15 1tkj s LEU 54 N 0.58 4.83 -0.39 4.42 1.43 -1.26 -1.03 118.68 127.26 1tkj s LEU 54 Ca -0.11 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1tkj s LEU 54 Cb -0.14 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.72 1tkj s LEU 54 CO 0.02 -0.55 0.37 -1.58 0.23 0.00 0.00 176.35 174.85 1tkj s GLN 55 N 2.10 3.24 0.10 1.70 0.74 0.08 -4.96 119.66 122.66 1tkj s GLN 55 Ca 0.12 -0.70 -0.12 0.00 0.05 0.00 0.00 55.36 54.70 1tkj s GLN 55 Cb -0.17 -3.91 -0.06 0.00 1.10 0.00 0.00 33.01 29.97 1tkj s GLN 55 CO 0.13 -0.71 0.46 -0.65 -0.55 0.00 0.00 175.29 173.98 1tkj s GLN 56 N 1.98 3.87 0.20 1.67 -0.21 -1.26 -0.76 119.66 125.14 1tkj s GLN 56 Ca 0.10 0.33 -0.06 0.00 0.02 0.00 0.00 55.36 55.75 1tkj s GLN 56 Cb -0.17 -2.99 -0.02 0.00 1.00 0.00 0.00 33.01 30.82 1tkj s GLN 56 CO 0.12 0.54 0.25 -0.59 -2.12 0.00 0.00 175.29 173.50 1tkj s PHE 57 N -1.39 0.73 -0.09 0.91 -0.12 -0.51 -4.99 117.98 112.52 1tkj s PHE 57 Ca 0.34 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 56.21 1tkj s PHE 57 Cb -0.15 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.02 1tkj s PHE 57 CO 0.18 -0.74 -0.21 0.99 -0.05 0.00 0.00 175.22 175.38 1tkj s THR 58 N -4.07 1.83 -0.09 -4.49 2.01 -1.26 0.18 115.64 109.75 1tkj s THR 58 Ca 0.28 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1tkj s THR 58 Cb 0.04 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1tkj s THR 58 CO 0.07 0.51 0.23 -0.55 -0.69 0.00 0.00 174.62 174.19 1tkj s SER 59 N 0.37 -0.24 -1.32 3.53 0.15 -0.27 -4.84 113.70 111.07 1tkj s SER 59 Ca -0.17 0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1tkj s SER 59 Cb -0.17 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1tkj s SER 59 CO 0.07 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1tkj n GLY 60 N 3.41 0.21 2.70 9.45 0.00 -1.26 -1.87 105.19 117.83 1tkj n GLY 60 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1tkj n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkj n GLY 61 N -1.06 0.47 3.16 -0.02 0.00 -1.26 -4.99 105.19 101.49 1tkj n GLY 61 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1tkj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkj s ALA 62 N -2.20 1.29 0.13 4.61 0.00 -0.78 -5.11 121.76 119.70 1tkj s ALA 62 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 1tkj s ALA 62 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1tkj s ALA 62 CO 0.00 0.26 1.25 0.99 0.00 0.00 0.00 175.76 178.26 1tkj s THR 63 N -0.80 3.62 0.42 0.00 2.01 -1.26 -1.12 115.64 118.51 1tkj s THR 63 Ca 0.03 1.25 0.07 0.00 0.31 0.00 0.00 61.69 63.34 1tkj s THR 63 Cb -0.08 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1tkj s THR 63 CO 0.01 0.14 0.10 -0.83 -0.69 0.00 0.00 174.62 173.36 1tkj s GLY 64 N 0.66 2.47 -0.05 4.40 0.00 0.13 -4.26 107.32 110.66 1tkj s GLY 64 Ca 0.58 -2.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.20 1tkj s GLY 64 CO 0.33 -2.02 0.17 -0.19 0.00 0.00 0.00 173.10 171.39 1tkj s TYR 65 N -2.68 -0.15 -0.00 1.90 1.51 -1.26 -1.43 117.35 115.24 1tkj s TYR 65 Ca 0.35 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 1tkj s TYR 65 Cb 0.06 0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 41.92 1tkj s TYR 65 CO 0.19 -0.13 -0.01 -0.80 -1.11 0.00 0.00 175.55 173.70 1tkj s ASN 66 N -0.16 5.06 -0.21 2.29 0.01 0.06 -2.31 114.94 119.68 1tkj s ASN 66 Ca -0.03 -0.02 -0.04 0.00 -0.71 0.00 0.00 52.86 52.07 1tkj s ASN 66 Cb -0.02 -1.31 -0.01 0.00 0.41 0.00 0.00 41.25 40.31 1tkj s ASN 66 CO 0.00 0.28 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.62 1tkj s LEU 67 N -1.51 2.96 -0.11 0.60 2.96 -0.11 -0.74 118.68 122.73 1tkj s LEU 67 Ca 0.19 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1tkj s LEU 67 Cb -0.11 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1tkj s LEU 67 CO 0.10 0.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.41 1tkj s ILE 68 N 1.27 3.36 -0.15 6.68 -1.09 -0.20 -0.85 121.20 130.23 1tkj s ILE 68 Ca 0.03 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1tkj s ILE 68 Cb -0.14 -2.40 0.05 0.00 -1.58 0.00 0.00 42.46 38.38 1tkj s ILE 68 CO -0.01 0.54 0.00 0.00 -1.23 0.00 0.00 174.94 174.24 1tkj s ALA 69 N -0.06 1.04 -0.23 9.38 0.00 0.47 -0.57 121.76 131.79 1tkj s ALA 69 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1tkj s ALA 69 Cb -0.14 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 1tkj s ALA 69 CO 0.03 -0.86 0.15 -0.80 0.00 0.00 0.00 175.76 174.28 1tkj s ASN 70 N 1.83 6.08 -0.35 0.00 0.01 -0.07 -0.50 114.94 121.94 1tkj s ASN 70 Ca 0.01 0.12 -0.26 0.00 -0.71 0.00 0.00 52.86 52.02 1tkj s ASN 70 Cb -0.15 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.43 1tkj s ASN 70 CO -0.07 0.09 0.95 0.86 -1.51 0.00 0.00 177.10 177.41 1tkj s TRP 71 N 0.91 3.11 0.34 2.20 -0.00 -0.23 -0.98 118.94 124.28 1tkj s TRP 71 Ca 0.07 0.88 -0.28 0.00 -0.00 0.00 0.00 56.10 56.76 1tkj s TRP 71 Cb -0.13 -3.61 -0.12 0.00 -0.00 0.00 0.00 33.47 29.61 1tkj s TRP 71 CO 0.03 -0.79 1.41 -2.30 -0.00 0.00 0.00 176.95 175.30 1tkj n PRO 72 N 6.74 2.39 0.00 5.86 -0.02 -1.26 -4.42 135.00 144.28 1tkj n PRO 72 Ca 0.08 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1tkj n PRO 72 Cb 0.48 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1tkj n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tkj n GLY 73 N 0.93 -1.36 0.00 -1.23 0.00 -1.26 -5.03 105.19 97.23 1tkj n GLY 73 Ca 0.04 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1tkj n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkj n GLY 74 N -0.42 -1.86 3.64 -0.02 0.00 -1.26 -4.36 105.19 100.91 1tkj n GLY 74 Ca 0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1tkj n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tkj s ASP 75 N -4.53 6.55 0.51 1.61 -1.08 0.14 -4.54 116.67 115.33 1tkj s ASP 75 Ca 0.00 1.69 0.34 0.00 -0.52 0.00 0.00 52.55 54.06 1tkj s ASP 75 Cb 0.00 -2.53 1.69 0.00 -1.46 0.00 0.00 42.92 40.62 1tkj s ASP 75 CO 0.00 -1.11 2.03 1.55 0.52 0.00 0.00 175.17 178.17 1tkj h PRO 76 N 9.97 0.00 -0.01 4.34 0.13 -1.91 -2.11 132.00 142.42 1tkj h PRO 76 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1tkj h PRO 76 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1tkj h PRO 76 CO 0.99 0.00 -0.15 0.09 -0.23 0.00 0.00 178.00 178.70 1tkj n ASN 77 N -2.80 0.93 -3.53 1.44 3.02 -1.26 -4.56 115.26 108.50 1tkj n ASN 77 Ca -0.01 -0.94 -0.29 0.00 -0.03 0.00 0.00 54.58 53.31 1tkj n ASN 77 Cb 0.15 0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 1tkj n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1tkj s LYS 78 N -2.36 0.58 -0.20 3.52 1.02 -0.80 -4.54 119.74 116.96 1tkj s LYS 78 Ca 0.30 -1.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.00 1tkj s LYS 78 Cb 0.20 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1tkj s LYS 78 CO 0.46 -1.15 0.03 0.08 -0.92 0.00 0.00 175.35 173.85 1tkj s VAL 79 N 1.24 4.27 -0.21 3.17 1.01 0.32 -1.48 120.40 128.71 1tkj s VAL 79 Ca 0.15 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1tkj s VAL 79 Cb -0.21 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1tkj s VAL 79 CO -0.09 0.43 0.07 -0.22 0.00 0.00 0.00 175.10 175.29 1tkj s LEU 80 N 0.84 3.68 0.08 3.92 2.96 -0.06 0.10 118.68 130.20 1tkj s LEU 80 Ca 0.02 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1tkj s LEU 80 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1tkj s LEU 80 CO 0.02 0.09 -0.05 -0.32 -1.32 0.00 0.00 176.35 174.77 1tkj s MET 81 N 0.89 2.40 0.01 1.98 -2.45 -0.25 -1.54 119.30 120.35 1tkj s MET 81 Ca 0.04 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1tkj s MET 81 Cb -0.14 -2.45 -0.01 0.00 1.25 0.00 0.00 34.83 33.48 1tkj s MET 81 CO 0.03 0.54 -0.03 0.00 1.05 0.00 0.00 175.02 176.61 1tkj s ALA 82 N -1.22 0.16 0.35 4.11 0.00 -0.90 -0.88 121.76 123.38 1tkj s ALA 82 Ca 0.23 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 1tkj s ALA 82 Cb -0.11 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1tkj s ALA 82 CO 0.15 -0.06 0.76 0.20 0.00 0.00 0.00 175.76 176.81 1tkj s GLY 83 N -0.79 0.25 -0.28 0.00 0.00 0.23 -1.09 107.32 105.64 1tkj s GLY 83 Ca -0.07 -0.63 -0.22 0.00 0.00 0.00 0.00 44.72 43.80 1tkj s GLY 83 CO -0.00 -0.26 0.90 0.00 0.00 0.00 0.00 173.10 173.73 1tkj s ALA 84 N -2.83 -1.98 0.33 3.20 0.00 -0.81 -1.61 121.76 118.06 1tkj s ALA 84 Ca 0.14 2.07 -0.27 0.00 0.00 0.00 0.00 51.96 53.91 1tkj s ALA 84 Cb -0.05 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 1tkj s ALA 84 CO 0.10 -0.31 1.04 -3.38 0.00 0.00 0.00 175.76 173.22 1tkj s HIS 85 N 0.73 3.51 -1.50 0.00 -3.43 -1.26 -1.85 115.29 111.49 1tkj s HIS 85 Ca -0.02 1.71 0.16 0.00 -0.80 0.00 0.00 55.06 56.11 1tkj s HIS 85 Cb -0.05 -3.14 0.01 0.00 -1.43 0.00 0.00 32.58 27.98 1tkj s HIS 85 CO -0.09 -0.37 0.86 -0.11 -2.00 0.00 0.00 174.74 173.03 1tkj n LEU 86 N 0.63 1.69 -4.89 5.38 7.94 0.26 -4.48 117.00 123.53 1tkj n LEU 86 Ca 0.02 -0.80 -0.29 0.00 -1.11 0.00 0.00 56.01 53.83 1tkj n LEU 86 Cb 0.48 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.40 1tkj n LEU 86 CO 0.49 0.32 0.38 1.51 -1.11 0.00 0.00 177.39 178.98 1tkj s ASP 87 N -1.78 6.46 0.35 1.96 -4.77 -1.24 -4.91 116.67 112.74 1tkj s ASP 87 Ca 0.14 0.99 0.08 0.00 -3.30 0.00 0.00 52.55 50.46 1tkj s ASP 87 Cb 0.13 -2.26 -0.04 0.00 -1.09 0.00 0.00 42.92 39.66 1tkj s ASP 87 CO 0.37 -0.37 0.22 -0.94 0.70 0.00 0.00 175.17 175.15 1tkj s SER 88 N -3.30 4.90 0.96 2.11 1.04 -0.55 -4.17 113.70 114.69 1tkj s SER 88 Ca 0.49 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 1tkj s SER 88 Cb -0.10 -0.77 0.17 0.00 0.10 0.00 0.00 66.02 65.42 1tkj s SER 88 CO 0.33 -0.38 1.09 0.68 0.98 0.00 0.00 173.24 175.93 1tkj s VAL 89 N -2.41 2.41 -1.81 5.02 -7.23 -1.26 -3.81 120.40 111.32 1tkj s VAL 89 Ca 0.40 0.13 0.30 0.00 -1.81 0.00 0.00 61.98 61.01 1tkj s VAL 89 Cb -0.03 -2.47 0.67 0.00 0.56 0.00 0.00 36.38 35.10 1tkj s VAL 89 CO 0.25 -0.18 2.05 -1.54 -0.31 0.00 0.00 175.10 175.37 1tkj n SER 90 N -4.16 0.25 0.16 4.85 3.41 -1.26 -3.54 113.62 113.33 1tkj n SER 90 Ca 0.07 -0.71 0.13 0.00 -0.26 0.00 0.00 58.87 58.09 1tkj n SER 90 Cb 0.55 -0.09 0.39 0.00 -0.26 0.00 0.00 64.21 64.80 1tkj n SER 90 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1tkj h SER 91 N 0.34 0.00 -0.63 4.04 0.87 -1.90 -3.43 113.55 112.85 1tkj h SER 91 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tkj h SER 91 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1tkj h SER 91 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1tkj n GLY 92 N 0.88 1.51 0.08 5.77 0.00 -1.23 -3.70 105.19 108.50 1tkj n GLY 92 Ca 0.04 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.26 1tkj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkj n ALA 93 N -3.00 2.19 -3.53 4.61 0.00 -1.19 -3.84 120.51 115.75 1tkj n ALA 93 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 1tkj n ALA 93 Cb 0.00 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.07 1tkj n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tkj n GLY 94 N 1.14 -0.37 0.07 0.00 0.00 -1.11 -4.64 105.19 100.28 1tkj n GLY 94 Ca 0.05 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1tkj n GLY 94 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tkj h ILE 95 N -1.98 1.54 -0.07 -0.61 1.08 -1.57 0.55 117.51 116.44 1tkj h ILE 95 Ca -0.59 -1.66 -0.17 0.00 -0.39 0.00 0.00 64.86 62.04 1tkj h ILE 95 Cb 1.35 2.63 0.01 0.00 -3.07 0.00 0.00 36.82 37.74 1tkj h ILE 95 CO 0.53 0.44 -0.62 -1.13 -0.69 0.00 0.00 178.15 176.68 1tkj h ASN 96 N -0.62 0.67 -3.89 1.72 -1.24 -1.79 0.21 115.58 110.64 1tkj h ASN 96 Ca -0.00 -0.68 -0.71 0.00 0.71 0.00 0.00 56.30 55.62 1tkj h ASN 96 Cb 0.75 -0.20 -0.33 0.00 0.73 0.00 0.00 38.32 39.26 1tkj h ASN 96 CO 0.01 1.25 -0.34 -0.62 -1.29 0.00 0.00 177.43 176.44 1tkj s ASP 97 N -6.81 5.48 -0.29 1.15 2.15 -1.24 -3.54 116.67 113.56 1tkj s ASP 97 Ca -0.12 -2.58 0.18 0.00 0.43 0.00 0.00 52.55 50.46 1tkj s ASP 97 Cb 0.06 -1.91 0.48 0.00 -0.30 0.00 0.00 42.92 41.25 1tkj s ASP 97 CO 0.85 -0.46 1.09 -3.20 -0.17 0.00 0.00 175.17 173.27 1tkj n ASN 98 N 3.91 2.34 -0.33 -0.34 5.15 -0.82 -4.35 115.26 120.81 1tkj n ASN 98 Ca 0.05 -2.60 0.07 0.00 -0.60 0.00 0.00 54.58 51.50 1tkj n ASN 98 Cb 0.40 -0.47 0.23 0.00 -0.53 0.00 0.00 39.78 39.42 1tkj n ASN 98 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tkj h GLY 99 N 2.63 1.54 0.73 8.20 0.00 0.03 -1.71 103.07 114.49 1tkj h GLY 99 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1tkj h GLY 99 CO 0.40 0.07 -0.18 1.48 0.00 0.00 0.00 176.54 178.32 1tkj h SER 100 N 0.84 -0.49 -0.57 0.19 4.64 -0.68 0.21 113.55 117.68 1tkj h SER 100 Ca 0.48 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.75 1tkj h SER 100 Cb 0.57 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1tkj h SER 100 CO -0.30 -0.26 -0.05 1.23 -0.87 0.00 0.00 176.83 176.58 1tkj h GLY 101 N -0.37 1.13 0.99 -0.77 0.00 -1.72 -1.91 103.07 100.42 1tkj h GLY 101 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.49 1tkj h GLY 101 CO -0.08 0.79 0.56 1.76 0.00 0.00 0.00 176.54 179.58 1tkj h SER 102 N 0.93 0.97 -0.17 0.19 0.02 -0.88 -1.08 113.55 113.54 1tkj h SER 102 Ca 0.16 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 1tkj h SER 102 Cb 0.61 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1tkj h SER 102 CO 0.04 0.70 -0.50 0.00 -1.14 0.00 0.00 176.83 175.93 1tkj h ALA 103 N 1.32 0.61 -0.45 3.77 0.00 -0.47 -0.94 119.26 123.10 1tkj h ALA 103 Ca 0.32 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1tkj h ALA 103 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1tkj h ALA 103 CO -0.07 0.68 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 1tkj h ALA 104 N 0.85 0.60 -0.38 0.00 0.00 -1.11 0.16 119.26 119.39 1tkj h ALA 104 Ca 0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1tkj h ALA 104 Cb 1.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1tkj h ALA 104 CO 0.11 0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.94 1tkj h VAL 105 N 0.64 1.28 -0.37 0.00 2.07 -1.14 -0.56 116.25 118.17 1tkj h VAL 105 Ca 0.13 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1tkj h VAL 105 Cb 0.50 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1tkj h VAL 105 CO 0.02 0.39 0.24 0.25 0.02 0.00 0.00 177.57 178.49 1tkj h LEU 106 N 0.53 0.40 -0.91 2.57 5.85 -1.06 -0.90 115.31 121.80 1tkj h LEU 106 Ca 0.10 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1tkj h LEU 106 Cb 0.61 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1tkj h LEU 106 CO 0.04 0.29 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.00 1tkj h GLU 107 N 0.48 0.38 -0.54 1.25 4.57 -0.78 -0.12 114.58 119.82 1tkj h GLU 107 Ca 0.14 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1tkj h GLU 107 Cb -0.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1tkj h GLU 107 CO -0.04 0.68 0.23 1.15 -1.18 0.00 0.00 179.01 179.86 1tkj h THR 108 N 0.33 1.21 -0.70 0.32 2.02 -0.87 0.83 112.91 116.05 1tkj h THR 108 Ca 0.04 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1tkj h THR 108 Cb 0.77 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1tkj h THR 108 CO 0.06 0.25 0.46 0.00 0.37 0.00 0.00 175.52 176.66 1tkj h ALA 109 N 1.08 0.89 -0.39 6.16 0.00 -0.46 -1.17 119.26 125.36 1tkj h ALA 109 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1tkj h ALA 109 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1tkj h ALA 109 CO -0.02 0.32 -0.15 -0.07 0.00 0.00 0.00 179.25 179.33 1tkj h LEU 110 N 0.95 0.71 -1.17 0.00 3.38 -0.73 -2.77 115.31 115.69 1tkj h LEU 110 Ca 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1tkj h LEU 110 Cb -0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1tkj h LEU 110 CO -0.06 0.87 0.42 0.00 0.09 0.00 0.00 178.44 179.77 1tkj h ALA 111 N 1.19 1.37 -0.38 1.53 0.00 -0.09 -0.96 119.26 121.93 1tkj h ALA 111 Ca 0.11 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1tkj h ALA 111 Cb 0.61 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1tkj h ALA 111 CO 0.04 0.53 0.14 0.28 0.00 0.00 0.00 179.25 180.24 1tkj h VAL 112 N 1.01 0.91 -0.39 0.00 2.07 -0.95 -0.95 116.25 117.95 1tkj h VAL 112 Ca 0.26 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1tkj h VAL 112 Cb -0.02 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1tkj h VAL 112 CO -0.05 0.06 0.07 -1.28 0.02 0.00 0.00 177.57 176.39 1tkj h SER 113 N 0.31 0.62 -0.27 0.57 0.87 -1.38 -2.02 113.55 112.24 1tkj h SER 113 Ca 0.17 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1tkj h SER 113 Cb 0.13 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1tkj h SER 113 CO -0.16 0.72 0.16 -0.09 -0.53 0.00 0.00 176.83 176.92 1tkj h ARG 114 N 0.49 0.39 -0.00 2.24 2.43 -0.96 -1.78 114.38 117.20 1tkj h ARG 114 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1tkj h ARG 114 Cb 0.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1tkj h ARG 114 CO 0.01 0.29 -0.19 0.00 -1.51 0.00 0.00 179.97 178.57 1tkj n ALA 115 N -2.49 2.90 -2.97 2.80 0.00 -0.38 -4.93 120.51 115.45 1tkj n ALA 115 Ca 0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 1tkj n ALA 115 Cb 0.10 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.30 1tkj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tkj n GLY 116 N 1.36 -0.38 3.74 0.00 0.00 -0.67 -4.95 105.19 104.31 1tkj n GLY 116 Ca 0.11 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1tkj n GLY 116 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tkj s TYR 117 N -3.12 3.88 -0.66 1.61 5.04 -0.80 -5.01 117.35 118.30 1tkj s TYR 117 Ca 0.29 1.85 0.04 0.00 -2.44 0.00 0.00 57.07 56.80 1tkj s TYR 117 Cb -0.13 -3.04 0.16 0.00 0.35 0.00 0.00 41.96 39.30 1tkj s TYR 117 CO 0.35 0.25 0.44 -1.14 -1.34 0.00 0.00 175.55 174.12 1tkj s GLN 118 N -0.71 2.39 0.55 4.97 0.74 -1.26 -4.88 119.66 121.45 1tkj s GLN 118 Ca 0.44 -3.07 -0.20 0.00 0.05 0.00 0.00 55.36 52.58 1tkj s GLN 118 Cb -0.26 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.35 1tkj s GLN 118 CO 0.32 -1.22 1.23 -1.25 -0.55 0.00 0.00 175.29 173.82 1tkj s PRO 119 N -1.00 3.19 0.15 1.67 0.04 -1.26 -4.93 135.00 132.86 1tkj s PRO 119 Ca 0.22 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1tkj s PRO 119 Cb -0.13 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1tkj s PRO 119 CO -0.10 -1.05 1.70 -0.44 0.04 0.00 0.00 177.00 177.15 1tkj h ASP 120 N 1.27 0.68 -3.71 6.66 3.32 -1.62 -3.38 116.42 119.64 1tkj h ASP 120 Ca -0.50 -0.17 -0.50 0.00 0.02 0.00 0.00 57.03 55.88 1tkj h ASP 120 Cb 1.29 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 1tkj h ASP 120 CO 0.57 0.67 0.22 -0.54 -1.72 0.00 0.00 179.24 178.44 1tkj s LYS 121 N -5.53 4.43 0.19 3.56 1.02 -0.16 -0.68 119.74 122.56 1tkj s LYS 121 Ca -0.13 1.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.65 1tkj s LYS 121 Cb 0.11 -2.87 -0.10 0.00 -0.52 0.00 0.00 37.83 34.46 1tkj s LYS 121 CO 0.77 0.36 1.47 -1.58 -0.92 0.00 0.00 175.35 175.45 1tkj s HIS 122 N -1.54 3.09 -0.12 3.18 5.65 -0.55 -4.59 115.29 120.42 1tkj s HIS 122 Ca 0.46 0.88 -0.09 0.00 0.25 0.00 0.00 55.06 56.55 1tkj s HIS 122 Cb -0.18 -3.82 -0.04 0.00 -1.18 0.00 0.00 32.58 27.35 1tkj s HIS 122 CO 0.23 -2.84 0.19 -0.51 -0.65 0.00 0.00 174.74 171.16 1tkj s LEU 123 N 0.48 4.35 -0.04 8.88 1.43 -1.26 -0.88 118.68 131.64 1tkj s LEU 123 Ca 0.64 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1tkj s LEU 123 Cb -0.41 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.65 1tkj s LEU 123 CO 0.36 0.32 0.00 -0.60 0.23 0.00 0.00 176.35 176.66 1tkj s ARG 124 N -0.62 0.39 0.16 1.70 3.52 -0.59 -1.07 118.95 122.44 1tkj s ARG 124 Ca 0.15 0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.91 1tkj s ARG 124 Cb -0.13 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 1tkj s ARG 124 CO 0.04 -0.19 0.07 -0.06 -0.81 0.00 0.00 175.30 174.36 1tkj s PHE 125 N 1.35 3.02 -0.05 5.12 0.08 0.35 -2.12 117.98 125.73 1tkj s PHE 125 Ca -0.05 -0.06 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 1tkj s PHE 125 Cb -0.13 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1tkj s PHE 125 CO -0.02 0.52 0.14 0.00 -0.10 0.00 0.00 175.22 175.75 1tkj s ALA 126 N -1.70 -0.33 -0.22 5.36 0.00 -0.25 -0.40 121.76 124.22 1tkj s ALA 126 Ca 0.29 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1tkj s ALA 126 Cb -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1tkj s ALA 126 CO 0.21 -0.08 -0.15 -1.58 0.00 0.00 0.00 175.76 174.16 1tkj s TRP 127 N -0.07 3.03 0.03 0.00 0.51 -0.03 -1.93 118.94 120.49 1tkj s TRP 127 Ca -0.02 -2.02 -0.16 0.00 -2.12 0.00 0.00 56.10 51.78 1tkj s TRP 127 Cb -0.02 -1.91 -0.06 0.00 -0.81 0.00 0.00 33.47 30.67 1tkj s TRP 127 CO 0.00 -0.85 0.47 -1.58 -0.51 0.00 0.00 176.95 174.49 1tkj s TRP 128 N 1.19 3.75 0.42 -1.98 0.52 -0.77 -0.94 118.94 121.13 1tkj s TRP 128 Ca -0.03 1.09 -0.06 0.00 0.02 0.00 0.00 56.10 57.12 1tkj s TRP 128 Cb -0.17 -2.36 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 1tkj s TRP 128 CO -0.08 0.61 0.73 0.20 0.02 0.00 0.00 176.95 178.43 1tkj s GLY 129 N -1.13 1.65 -1.50 0.98 0.00 -0.98 -0.57 107.32 105.77 1tkj s GLY 129 Ca 0.26 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 1tkj s GLY 129 CO 0.16 -0.31 0.18 0.00 0.00 0.00 0.00 173.10 173.13 1tkj n ALA 130 N -1.77 -0.78 0.03 3.20 0.00 -1.26 -1.66 120.51 118.25 1tkj n ALA 130 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 1tkj n ALA 130 Cb 0.55 -2.46 0.30 0.00 0.00 0.00 0.00 19.45 17.83 1tkj n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1tkj h GLU 131 N -0.41 0.46 0.00 0.00 4.22 -1.91 -2.19 114.58 114.75 1tkj h GLU 131 Ca -0.45 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.88 1tkj h GLU 131 Cb 1.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1tkj h GLU 131 CO 0.52 0.55 0.00 0.39 -2.18 0.00 0.00 179.01 178.28 1tkj n GLU 132 N -4.25 0.09 0.00 1.92 -0.58 -1.26 -1.34 120.64 115.23 1tkj n GLU 132 Ca 0.01 0.28 0.14 0.00 -0.42 0.00 0.00 57.16 57.16 1tkj n GLU 132 Cb 0.28 -1.66 0.52 0.00 -0.57 0.00 0.00 31.44 30.01 1tkj n GLU 132 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1tkj n LEU 133 N -1.83 0.96 0.00 -4.62 4.32 -0.87 -4.88 117.00 110.08 1tkj n LEU 133 Ca 0.04 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 1tkj n LEU 133 Cb 0.24 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1tkj n LEU 133 CO 0.19 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 1tkj n GLY 134 N 1.25 0.99 2.64 -0.72 0.00 -0.63 -4.78 105.19 103.95 1tkj n GLY 134 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1tkj n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tkj n LEU 135 N 0.00 -2.24 -0.16 0.99 4.77 -0.45 -4.88 117.00 115.03 1tkj n LEU 135 Ca 0.00 -0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1tkj n LEU 135 Cb 0.00 -2.97 -0.00 0.00 -2.33 0.00 0.00 43.42 38.12 1tkj n LEU 135 CO 0.00 -0.04 0.67 0.40 -1.33 0.00 0.00 177.39 177.09 1tkj h ILE 136 N -0.54 1.27 -0.16 -0.08 1.08 -1.64 -0.63 117.51 116.81 1tkj h ILE 136 Ca -0.51 -1.37 -0.05 0.00 -0.39 0.00 0.00 64.86 62.54 1tkj h ILE 136 Cb 1.37 1.14 -0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1tkj h ILE 136 CO 0.58 0.47 -0.10 1.23 -0.69 0.00 0.00 178.15 179.65 1tkj h GLY 137 N 0.83 0.37 1.48 5.37 0.00 -1.48 -0.78 103.07 108.85 1tkj h GLY 137 Ca 0.11 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1tkj h GLY 137 CO 0.07 0.31 -0.29 1.48 0.00 0.00 0.00 176.54 178.11 1tkj h SER 138 N -0.00 0.61 -0.66 0.19 4.64 -1.74 -0.63 113.55 115.96 1tkj h SER 138 Ca 0.03 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 1tkj h SER 138 Cb 0.59 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1tkj h SER 138 CO 0.03 0.88 0.30 0.11 -0.87 0.00 0.00 176.83 177.27 1tkj h LYS 139 N 0.52 0.97 -0.45 4.77 1.57 -1.09 -0.72 116.57 122.13 1tkj h LYS 139 Ca 0.06 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1tkj h LYS 139 Cb 0.77 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 1tkj h LYS 139 CO 0.06 0.79 0.28 0.35 -0.57 0.00 0.00 179.45 180.36 1tkj h PHE 140 N 0.93 0.52 -0.06 -1.35 3.04 -0.67 0.14 116.94 119.50 1tkj h PHE 140 Ca 0.23 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 1tkj h PHE 140 Cb 0.15 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1tkj h PHE 140 CO 0.01 0.31 0.03 -0.92 -2.02 0.00 0.00 178.31 175.72 1tkj h TYR 141 N 0.56 0.07 -0.69 0.41 3.20 -0.72 -1.25 116.97 118.55 1tkj h TYR 141 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1tkj h TYR 141 Cb -0.00 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1tkj h TYR 141 CO -0.06 0.09 0.14 0.28 -1.64 0.00 0.00 178.16 176.97 1tkj h VAL 142 N 0.03 1.26 0.00 1.81 2.07 -0.91 -1.17 116.25 119.34 1tkj h VAL 142 Ca 0.02 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1tkj h VAL 142 Cb 0.04 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1tkj h VAL 142 CO -0.00 0.38 -0.14 0.78 0.02 0.00 0.00 177.57 178.60 1tkj h ASN 143 N 1.04 0.00 -0.28 0.57 2.35 -0.52 -2.58 115.58 116.16 1tkj h ASN 143 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1tkj h ASN 143 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1tkj h ASN 143 CO 0.01 0.14 0.00 0.59 -1.65 0.00 0.00 177.43 176.52 1tkj n ASN 144 N -3.67 2.94 -4.58 5.81 3.02 -0.49 -4.89 115.26 113.40 1tkj n ASN 144 Ca -0.02 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.25 1tkj n ASN 144 Cb 0.26 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1tkj n ASN 144 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1tkj s LEU 145 N -1.23 4.17 0.69 3.41 2.96 -0.48 -5.03 118.68 123.18 1tkj s LEU 145 Ca 0.28 0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.34 1tkj s LEU 145 Cb 0.17 -2.93 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 1tkj s LEU 145 CO 0.23 -0.65 1.02 -2.65 -1.32 0.00 0.00 176.35 172.98 1tkj n PRO 146 N 6.22 0.66 -0.01 0.98 -0.02 -1.26 -4.63 135.00 136.94 1tkj n PRO 146 Ca 0.01 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1tkj n PRO 146 Cb 0.48 -2.26 0.48 0.00 -0.02 0.00 0.00 33.50 32.18 1tkj n PRO 146 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1tkj h SER 147 N -0.02 0.38 -0.26 2.55 0.87 -1.95 -0.00 113.55 115.11 1tkj h SER 147 Ca -0.48 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 1tkj h SER 147 Cb 1.34 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1tkj h SER 147 CO 0.48 0.26 0.08 0.00 -0.53 0.00 0.00 176.83 177.12 1tkj h ALA 148 N 1.75 1.51 0.15 6.23 0.00 -2.00 -1.80 119.26 125.08 1tkj h ALA 148 Ca 0.19 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 1tkj h ALA 148 Cb 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1tkj h ALA 148 CO -0.05 0.37 -1.30 -0.44 0.00 0.00 0.00 179.25 177.83 1tkj h ASP 149 N 0.49 0.49 -0.92 0.00 3.32 -1.41 -3.26 116.42 115.13 1tkj h ASP 149 Ca 0.12 -0.53 0.08 0.00 0.02 0.00 0.00 57.03 56.71 1tkj h ASP 149 Cb 0.20 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1tkj h ASP 149 CO -0.00 1.42 0.60 0.03 -1.72 0.00 0.00 179.24 179.56 1tkj h ARG 150 N 0.09 0.98 0.00 3.56 3.08 -0.61 -1.63 114.38 119.85 1tkj h ARG 150 Ca -0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1tkj h ARG 150 Cb 2.01 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.84 1tkj h ARG 150 CO 0.21 0.65 0.00 0.66 -1.07 0.00 0.00 179.97 180.42 1tkj h SER 151 N 1.01 0.00 0.94 7.04 4.64 -1.38 -2.02 113.55 123.78 1tkj h SER 151 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1tkj h SER 151 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1tkj h SER 151 CO -0.17 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.06 1tkj n LYS 152 N -2.65 0.04 -2.50 4.77 5.02 -0.62 -4.82 118.16 117.40 1tkj n LYS 152 Ca 0.02 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1tkj n LYS 152 Cb 0.30 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1tkj n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tkj s LEU 153 N -2.96 4.01 0.29 -0.35 1.43 -0.76 -0.52 118.68 119.81 1tkj s LEU 153 Ca 0.15 1.33 0.15 0.00 -1.03 0.00 0.00 54.13 54.74 1tkj s LEU 153 Cb 0.19 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.96 1tkj s LEU 153 CO 0.53 -0.89 1.46 0.00 0.23 0.00 0.00 176.35 177.67 1tkj h ALA 154 N 8.48 0.69 0.00 4.21 0.00 -0.66 -3.44 119.26 128.55 1tkj h ALA 154 Ca -0.24 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1tkj h ALA 154 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1tkj h ALA 154 CO 1.01 0.60 0.00 0.41 0.00 0.00 0.00 179.25 181.27 1tkj n GLY 155 N 1.20 0.86 2.90 0.00 0.00 -1.23 -4.51 105.19 104.41 1tkj n GLY 155 Ca 0.02 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1tkj n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tkj s TYR 156 N -2.00 1.21 -0.19 1.61 5.04 0.24 -1.09 117.35 122.17 1tkj s TYR 156 Ca 0.00 -0.51 -0.07 0.00 -2.44 0.00 0.00 57.07 54.05 1tkj s TYR 156 Cb 0.00 -1.04 -0.04 0.00 0.35 0.00 0.00 41.96 41.24 1tkj s TYR 156 CO 0.00 -0.39 0.04 -0.51 -1.34 0.00 0.00 175.55 173.35 1tkj s LEU 157 N 1.46 3.62 -0.05 6.97 1.43 -0.06 -1.96 118.68 130.09 1tkj s LEU 157 Ca -0.01 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1tkj s LEU 157 Cb -0.13 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1tkj s LEU 157 CO -0.04 0.14 -0.18 0.21 0.23 0.00 0.00 176.35 176.70 1tkj s ASN 158 N 0.59 3.71 -0.27 2.29 2.47 -0.04 -0.60 114.94 123.09 1tkj s ASN 158 Ca 0.02 -0.30 -0.01 0.00 0.42 0.00 0.00 52.86 52.99 1tkj s ASN 158 Cb -0.13 -0.77 0.08 0.00 -1.45 0.00 0.00 41.25 38.98 1tkj s ASN 158 CO 0.02 0.32 0.07 -0.36 -3.72 0.00 0.00 177.10 173.42 1tkj s PHE 159 N -0.59 1.51 -0.29 0.43 0.08 -0.63 -2.52 117.98 115.98 1tkj s PHE 159 Ca 0.08 -1.45 -0.03 0.00 0.12 0.00 0.00 56.93 55.66 1tkj s PHE 159 Cb -0.11 -1.47 0.10 0.00 -0.57 0.00 0.00 43.02 40.97 1tkj s PHE 159 CO 0.01 -0.79 0.12 0.34 -0.10 0.00 0.00 175.22 174.79 1tkj s ASP 160 N 1.69 3.67 -0.05 1.36 -1.08 -1.25 -4.29 116.67 116.71 1tkj s ASP 160 Ca 0.05 -1.38 -0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1tkj s ASP 160 Cb -0.17 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.76 1tkj s ASP 160 CO -0.19 -0.43 0.00 0.23 0.52 0.00 0.00 175.17 175.30 1tkj n MET 161 N 5.11 -0.61 -0.04 4.34 2.81 -1.25 -4.71 117.12 122.77 1tkj n MET 161 Ca -0.05 0.90 0.01 0.00 -1.81 0.00 0.00 57.70 56.75 1tkj n MET 161 Cb 0.42 -1.75 0.01 0.00 -0.71 0.00 0.00 33.22 31.19 1tkj n MET 161 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1tkj n ILE 162 N 0.12 0.60 -1.86 2.02 -5.35 -1.26 -1.07 119.36 112.57 1tkj n ILE 162 Ca -0.00 -0.64 0.05 0.00 -0.27 0.00 0.00 62.75 61.90 1tkj n ILE 162 Cb 0.00 0.64 0.14 0.00 -1.74 0.00 0.00 39.64 38.67 1tkj n ILE 162 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tkj n GLY 163 N -0.34 3.66 3.72 3.28 0.00 -1.26 -3.38 105.19 110.87 1tkj n GLY 163 Ca 0.01 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1tkj n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tkj n SER 164 N -0.60 3.61 0.30 1.61 7.64 -1.26 -0.56 113.62 124.36 1tkj n SER 164 Ca 0.14 1.14 0.17 0.00 1.01 0.00 0.00 58.87 61.32 1tkj n SER 164 Cb 0.83 -1.55 0.95 0.00 -1.01 0.00 0.00 64.21 63.43 1tkj n SER 164 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1tkj h PRO 165 N 4.85 0.00 -2.22 1.43 0.11 -1.75 -3.07 132.00 131.35 1tkj h PRO 165 Ca -0.46 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.06 1tkj h PRO 165 Cb 1.23 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.93 1tkj h PRO 165 CO 0.80 0.02 -0.67 -1.71 -0.21 0.00 0.00 178.00 176.23 1tkj n ASN 166 N -3.61 3.80 -4.82 -2.05 5.15 -0.61 -4.67 115.26 108.45 1tkj n ASN 166 Ca -0.03 -3.51 -0.33 0.00 -0.60 0.00 0.00 54.58 50.12 1tkj n ASN 166 Cb 0.12 -0.61 -0.05 0.00 -0.53 0.00 0.00 39.78 38.71 1tkj n ASN 166 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1tkj s PRO 167 N -2.90 3.97 0.44 1.20 0.04 -1.16 -4.29 135.00 132.31 1tkj s PRO 167 Ca 0.44 1.14 0.08 0.00 0.04 0.00 0.00 61.00 62.70 1tkj s PRO 167 Cb 0.22 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1tkj s PRO 167 CO -0.08 -0.26 0.51 0.20 0.04 0.00 0.00 177.00 177.41 1tkj s GLY 168 N -2.42 2.02 -0.43 0.56 0.00 -0.60 -4.92 107.32 101.53 1tkj s GLY 168 Ca 0.63 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1tkj s GLY 168 CO 0.21 -1.61 0.16 -0.19 0.00 0.00 0.00 173.10 171.68 1tkj s TYR 169 N -2.44 3.45 -0.10 1.90 2.02 -1.26 -4.15 117.35 116.77 1tkj s TYR 169 Ca 0.52 -3.09 -0.02 0.00 -0.37 0.00 0.00 57.07 54.11 1tkj s TYR 169 Cb -0.07 -2.87 -0.03 0.00 -0.40 0.00 0.00 41.96 38.59 1tkj s TYR 169 CO 0.31 -0.84 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.38 1tkj s PHE 170 N 0.28 3.11 -0.09 2.71 0.08 -0.01 -1.32 117.98 122.74 1tkj s PHE 170 Ca 0.14 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.32 1tkj s PHE 170 Cb -0.23 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 1tkj s PHE 170 CO -0.04 0.35 -0.22 0.08 -0.10 0.00 0.00 175.22 175.29 1tkj s VAL 171 N -0.61 1.90 0.40 -0.44 1.01 -0.53 -1.47 120.40 120.66 1tkj s VAL 171 Ca 0.10 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 1tkj s VAL 171 Cb -0.12 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 1tkj s VAL 171 CO 0.02 0.53 1.47 -0.31 0.00 0.00 0.00 175.10 176.81 1tkj s TYR 172 N 0.34 2.54 -1.02 5.22 1.51 -0.25 -1.71 117.35 123.97 1tkj s TYR 172 Ca -0.17 1.19 -0.02 0.00 -1.01 0.00 0.00 57.07 57.06 1tkj s TYR 172 Cb -0.17 -4.00 0.31 0.00 -0.11 0.00 0.00 41.96 37.99 1tkj s TYR 172 CO 0.08 -3.00 1.52 -3.47 -1.11 0.00 0.00 175.55 169.57 1tkj n ASP 173 N 0.25 6.49 0.00 2.29 2.03 -1.26 -4.69 116.55 121.65 1tkj n ASP 173 Ca 0.02 -3.51 0.00 0.00 0.52 0.00 0.00 54.79 51.83 1tkj n ASP 173 Cb 0.40 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1tkj n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1tkj n ASP 174 N 0.84 0.00 -4.66 1.67 8.00 -1.26 -5.03 116.55 116.11 1tkj n ASP 174 Ca 0.32 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.36 1tkj n ASP 174 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1tkj n ASP 174 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1tkj n ASP 175 N 0.00 2.70 -0.02 -2.24 2.03 -0.63 -4.86 116.55 113.52 1tkj n ASP 175 Ca 0.00 1.12 -0.06 0.00 0.52 0.00 0.00 54.79 56.37 1tkj n ASP 175 Cb 0.00 -1.40 0.12 0.00 -0.72 0.00 0.00 41.12 39.12 1tkj n ASP 175 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tkj h PRO 176 N 4.72 0.60 -0.20 -0.67 0.13 -1.96 -1.58 132.00 133.04 1tkj h PRO 176 Ca -0.45 -0.27 -0.09 0.00 -0.87 0.00 0.00 66.00 64.32 1tkj h PRO 176 Cb 1.28 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1tkj h PRO 176 CO 0.80 0.85 -0.23 0.28 -0.23 0.00 0.00 178.00 179.46 1tkj h VAL 177 N 0.51 1.33 -0.30 1.56 2.07 -1.97 -0.80 116.25 118.65 1tkj h VAL 177 Ca 0.06 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.16 1tkj h VAL 177 Cb 0.80 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1tkj h VAL 177 CO 0.07 0.43 0.17 0.40 0.02 0.00 0.00 177.57 178.66 1tkj h ILE 178 N 0.19 1.12 -0.64 4.57 2.04 -1.88 -1.70 117.51 121.22 1tkj h ILE 178 Ca 0.03 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1tkj h ILE 178 Cb 0.79 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1tkj h ILE 178 CO 0.06 0.12 0.38 -0.08 0.00 0.00 0.00 178.15 178.63 1tkj h GLU 179 N 0.37 0.87 -0.81 2.37 4.81 -1.21 -2.11 114.58 118.86 1tkj h GLU 179 Ca 0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1tkj h GLU 179 Cb 0.05 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1tkj h GLU 179 CO -0.02 0.63 0.51 -0.22 -0.73 0.00 0.00 179.01 179.18 1tkj h LYS 180 N 0.87 1.08 -0.50 1.92 3.64 -1.00 0.03 116.57 122.60 1tkj h LYS 180 Ca 0.23 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1tkj h LYS 180 Cb -0.02 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1tkj h LYS 180 CO -0.04 0.74 0.09 0.00 -2.27 0.00 0.00 179.45 177.96 1tkj h THR 181 N 1.10 1.25 -0.27 1.00 1.03 -0.69 0.21 112.91 116.55 1tkj h THR 181 Ca 0.29 -0.92 -0.05 0.00 -0.01 0.00 0.00 66.41 65.72 1tkj h THR 181 Cb -0.08 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 67.86 1tkj h THR 181 CO -0.06 0.33 -0.05 -0.26 -0.01 0.00 0.00 175.52 175.47 1tkj h PHE 182 N 0.71 0.56 -0.04 0.00 0.04 -0.90 -2.77 116.94 114.53 1tkj h PHE 182 Ca 0.15 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1tkj h PHE 182 Cb 0.39 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1tkj h PHE 182 CO 0.03 0.70 -0.25 0.87 -0.60 0.00 0.00 178.31 179.05 1tkj h LYS 183 N 0.26 0.07 -0.73 1.51 1.57 -0.82 -2.00 116.57 116.43 1tkj h LYS 183 Ca 0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1tkj h LYS 183 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1tkj h LYS 183 CO 0.02 0.32 0.29 -0.91 -0.57 0.00 0.00 179.45 178.60 1tkj h ASN 184 N 0.06 0.99 -0.20 0.86 -0.26 -0.44 -0.86 115.58 115.74 1tkj h ASN 184 Ca 0.01 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 1tkj h ASN 184 Cb 0.48 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1tkj h ASN 184 CO 0.03 0.88 0.08 0.22 -1.06 0.00 0.00 177.43 177.58 1tkj h TYR 185 N 1.06 0.30 -0.25 1.19 3.20 -1.09 -2.19 116.97 119.19 1tkj h TYR 185 Ca 0.25 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1tkj h TYR 185 Cb 0.20 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1tkj h TYR 185 CO 0.02 0.34 -0.18 0.74 -1.64 0.00 0.00 178.16 177.44 1tkj h PHE 186 N 0.17 0.48 -0.63 -3.82 0.04 -1.29 -2.09 116.94 109.80 1tkj h PHE 186 Ca 0.07 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1tkj h PHE 186 Cb 0.17 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1tkj h PHE 186 CO -0.01 0.60 0.28 0.00 -0.60 0.00 0.00 178.31 178.58 1tkj h ALA 187 N 1.41 1.32 0.00 2.45 0.00 -0.86 -0.53 119.26 123.05 1tkj h ALA 187 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1tkj h ALA 187 Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tkj h ALA 187 CO 0.04 0.52 -0.06 0.78 0.00 0.00 0.00 179.25 180.53 1tkj h GLY 188 N 0.98 0.00 0.01 0.00 0.00 -0.75 -1.43 103.07 101.88 1tkj h GLY 188 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1tkj h GLY 188 CO -0.03 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.31 1tkj n LEU 189 N -3.42 1.21 -3.69 3.11 4.77 -0.28 -4.95 117.00 113.75 1tkj n LEU 189 Ca -0.02 -0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 55.36 1tkj n LEU 189 Cb 0.20 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1tkj n LEU 189 CO 0.27 0.22 0.21 0.59 -1.33 0.00 0.00 177.39 177.35 1tkj n ASN 190 N -0.47 -5.92 -4.26 -1.43 4.13 -0.54 -5.00 115.26 101.76 1tkj n ASN 190 Ca 0.13 -0.61 -0.35 0.00 1.68 0.00 0.00 54.58 55.43 1tkj n ASN 190 Cb 0.36 -4.72 -0.14 0.00 -1.54 0.00 0.00 39.78 33.74 1tkj n ASN 190 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1tkj s VAL 191 N -3.32 3.16 0.72 2.41 1.01 -0.78 -5.03 120.40 118.57 1tkj s VAL 191 Ca 0.61 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1tkj s VAL 191 Cb -0.28 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1tkj s VAL 191 CO 0.76 0.33 1.08 -2.16 0.00 0.00 0.00 175.10 175.11 1tkj s PRO 192 N 1.42 2.63 0.24 2.72 0.04 -1.26 -4.35 135.00 136.44 1tkj s PRO 192 Ca 0.04 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1tkj s PRO 192 Cb -0.15 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1tkj s PRO 192 CO -0.04 -1.35 -0.09 0.95 0.04 0.00 0.00 177.00 176.51 1tkj s THR 193 N -2.82 1.61 0.15 1.26 -4.23 -1.26 -4.70 115.64 105.66 1tkj s THR 193 Ca 0.61 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1tkj s THR 193 Cb -0.17 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1tkj s THR 193 CO 0.52 -0.43 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.43 1tkj s GLU 194 N -3.71 1.13 0.34 3.99 2.02 -0.43 -5.00 118.70 117.03 1tkj s GLU 194 Ca 0.26 -1.40 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 1tkj s GLU 194 Cb 0.02 -0.90 -0.11 0.00 0.10 0.00 0.00 34.13 33.25 1tkj s GLU 194 CO 0.09 0.15 1.43 0.42 0.02 0.00 0.00 175.26 177.37 1tkj s ILE 195 N -2.71 2.36 -0.02 -1.63 1.01 -1.26 -1.45 121.20 117.49 1tkj s ILE 195 Ca 0.15 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1tkj s ILE 195 Cb -0.02 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1tkj s ILE 195 CO 0.03 0.08 1.38 -0.70 0.00 0.00 0.00 174.94 175.73 1tkj s GLU 196 N -1.63 4.28 0.00 2.79 -6.30 -0.69 -4.78 118.70 112.36 1tkj s GLU 196 Ca 0.53 1.93 0.00 0.00 -2.50 0.00 0.00 54.97 54.93 1tkj s GLU 196 Cb -0.44 -3.60 0.00 0.00 0.00 0.00 0.00 34.13 30.09 1tkj s GLU 196 CO 0.56 -0.58 0.00 0.25 0.02 0.00 0.00 175.26 175.51 1tkj n THR 197 N 4.73 0.00 -0.05 -1.70 -2.24 -1.26 -4.70 114.28 109.05 1tkj n THR 197 Ca 0.13 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 1tkj n THR 197 Cb 0.44 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1tkj n THR 197 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1tkj h GLU 198 N 0.00 0.30 0.00 -0.78 4.22 -2.03 -3.16 114.58 113.14 1tkj h GLU 198 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1tkj h GLU 198 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1tkj h GLU 198 CO 0.00 0.21 -1.31 0.41 -2.18 0.00 0.00 179.01 176.14 1tkj n GLY 199 N -1.12 -1.28 7.00 1.92 0.00 -1.26 -5.01 105.19 105.44 1tkj n GLY 199 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1tkj n GLY 199 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tkj n ASP 200 N -2.44 0.00 0.00 1.61 10.43 -1.20 -0.19 116.55 124.76 1tkj n ASP 200 Ca -0.01 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.47 1tkj n ASP 200 Cb 0.54 0.00 0.71 0.00 1.84 0.00 0.00 41.12 44.21 1tkj n ASP 200 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1tkj n GLY 201 N 0.00 -0.94 2.30 0.44 0.00 -1.26 -4.59 105.19 101.13 1tkj n GLY 201 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1tkj n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tkj n ARG 202 N -0.89 2.22 -3.01 1.61 1.74 0.73 -4.52 116.66 114.53 1tkj n ARG 202 Ca 0.18 -1.90 -0.08 0.00 -0.77 0.00 0.00 57.85 55.28 1tkj n ARG 202 Cb 0.08 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1tkj n ARG 202 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1tkj n SER 203 N 1.23 -1.33 0.00 0.55 2.88 -1.26 -5.05 113.62 110.64 1tkj n SER 203 Ca 0.45 -2.17 0.09 0.00 -1.33 0.00 0.00 58.87 55.91 1tkj n SER 203 Cb 0.64 2.29 0.45 0.00 -0.75 0.00 0.00 64.21 66.84 1tkj n SER 203 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1tkj n ASP 204 N -1.52 0.00 0.24 -3.46 8.00 -1.26 -1.48 116.55 117.06 1tkj n ASP 204 Ca -0.04 0.15 0.11 0.00 0.71 0.00 0.00 54.79 55.72 1tkj n ASP 204 Cb 0.40 -0.34 0.55 0.00 -0.02 0.00 0.00 41.12 41.71 1tkj n ASP 204 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1tkj h HIS 205 N 0.00 0.00 -0.50 1.24 2.07 -1.95 -3.36 115.15 112.66 1tkj h HIS 205 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1tkj h HIS 205 Cb 0.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.17 1tkj h HIS 205 CO 0.00 0.18 0.32 0.00 -3.07 0.00 0.00 177.93 175.36 1tkj h ALA 206 N 1.82 0.63 -0.13 6.11 0.00 -1.49 0.26 119.26 126.45 1tkj h ALA 206 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1tkj h ALA 206 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1tkj h ALA 206 CO 0.02 0.10 -0.06 -1.35 0.00 0.00 0.00 179.25 177.96 1tkj h PRO 207 N 0.67 0.19 -0.02 0.00 0.11 -1.81 -0.43 132.00 130.73 1tkj h PRO 207 Ca 0.18 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1tkj h PRO 207 Cb -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1tkj h PRO 207 CO -0.04 0.27 -0.03 0.74 -0.21 0.00 0.00 178.00 178.73 1tkj h PHE 208 N 0.19 0.06 -0.89 0.65 -1.00 -1.60 -3.20 116.94 111.16 1tkj h PHE 208 Ca 0.04 -0.02 0.11 0.00 2.81 0.00 0.00 57.97 60.91 1tkj h PHE 208 Cb 0.24 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.70 1tkj h PHE 208 CO 0.00 0.62 0.52 -0.22 -1.61 0.00 0.00 178.31 177.62 1tkj h LYS 209 N -0.51 0.81 0.00 1.51 3.64 -0.62 -1.61 116.57 119.79 1tkj h LYS 209 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1tkj h LYS 209 Cb 0.61 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1tkj h LYS 209 CO 0.01 0.53 0.00 -0.91 -2.27 0.00 0.00 179.45 176.81 1tkj h ASN 210 N 0.83 0.00 -0.36 4.20 2.35 -1.12 -1.56 115.58 119.92 1tkj h ASN 210 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 1tkj h ASN 210 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1tkj h ASN 210 CO -0.27 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 176.84 1tkj n VAL 211 N -2.35 2.28 -0.69 2.81 0.24 -0.67 -4.97 118.33 114.98 1tkj n VAL 211 Ca 0.02 -1.68 0.00 0.00 -2.04 0.00 0.00 64.34 60.64 1tkj n VAL 211 Cb 0.26 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 1tkj n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tkj n GLY 212 N -0.10 0.66 3.72 7.63 0.00 -0.59 -5.03 105.19 111.47 1tkj n GLY 212 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1tkj n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tkj s VAL 213 N -2.02 4.61 0.31 1.61 1.01 -0.80 -4.99 120.40 120.13 1tkj s VAL 213 Ca 0.00 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 1tkj s VAL 213 Cb 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 1tkj s VAL 213 CO 0.00 0.22 1.54 -2.65 0.00 0.00 0.00 175.10 174.21 1tkj n PRO 214 N 3.43 2.62 -4.29 2.72 -0.02 -1.26 -4.05 135.00 134.14 1tkj n PRO 214 Ca 0.05 0.93 -0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1tkj n PRO 214 Cb 0.50 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 1tkj n PRO 214 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1tkj s VAL 215 N -0.34 0.91 0.15 -1.45 -7.23 -1.26 -0.59 120.40 110.58 1tkj s VAL 215 Ca 0.61 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 1tkj s VAL 215 Cb -0.51 -2.24 0.04 0.00 0.56 0.00 0.00 36.38 34.23 1tkj s VAL 215 CO 0.53 -0.39 0.55 0.61 -0.31 0.00 0.00 175.10 176.08 1tkj n GLY 216 N -0.34 1.08 0.00 2.32 0.00 -0.83 -1.61 105.19 105.81 1tkj n GLY 216 Ca -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1tkj n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkj n GLY 217 N -0.38 -0.40 3.25 -0.02 0.00 -1.26 -0.86 105.19 105.51 1tkj n GLY 217 Ca -0.03 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 1tkj n GLY 217 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tkj s LEU 218 N 0.00 2.25 -0.17 0.99 1.43 -1.05 -1.09 118.68 121.04 1tkj s LEU 218 Ca 0.00 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 1tkj s LEU 218 Cb 0.00 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.44 1tkj s LEU 218 CO 0.00 0.07 0.54 0.12 0.23 0.00 0.00 176.35 177.31 1tkj s PHE 219 N -1.04 -0.57 -0.83 0.29 5.36 -0.54 -3.82 117.98 116.83 1tkj s PHE 219 Ca 0.05 1.30 0.09 0.00 -0.96 0.00 0.00 56.93 57.42 1tkj s PHE 219 Cb -0.09 0.22 0.24 0.00 -0.34 0.00 0.00 43.02 43.05 1tkj s PHE 219 CO 0.03 -0.34 1.17 0.25 -1.46 0.00 0.00 175.22 174.87 1tkj n THR 220 N 2.38 0.89 0.00 0.12 -2.24 -0.23 -0.83 114.28 114.36 1tkj n THR 220 Ca -0.15 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1tkj n THR 220 Cb 0.56 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1tkj n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tkj n GLY 221 N 0.38 2.30 0.00 3.38 0.00 -1.26 -1.56 105.19 108.43 1tkj n GLY 221 Ca 0.09 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1tkj n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkj n ALA 222 N 1.77 0.00 0.79 4.61 0.00 -1.26 -4.18 120.51 122.24 1tkj n ALA 222 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1tkj n ALA 222 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 1tkj n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tkj n GLY 223 N 3.23 -1.48 3.74 0.00 0.00 -1.26 -0.99 105.19 108.42 1tkj n GLY 223 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1tkj n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tkj s TYR 224 N -3.05 2.24 0.04 1.61 1.51 -1.26 -4.70 117.35 113.74 1tkj s TYR 224 Ca 0.12 1.62 -0.20 0.00 -1.01 0.00 0.00 57.07 57.60 1tkj s TYR 224 Cb 0.15 -3.26 -0.06 0.00 -0.11 0.00 0.00 41.96 38.69 1tkj s TYR 224 CO 0.51 -2.20 0.57 0.95 -1.11 0.00 0.00 175.55 174.27 1tkj s THR 225 N -2.46 4.82 0.13 -0.71 -4.23 -1.26 -1.70 115.64 110.23 1tkj s THR 225 Ca 0.67 1.21 -0.31 0.00 -1.18 0.00 0.00 61.69 62.08 1tkj s THR 225 Cb -0.22 -3.90 -0.08 0.00 1.34 0.00 0.00 72.50 69.63 1tkj s THR 225 CO 0.50 0.50 1.43 -0.75 -0.54 0.00 0.00 174.62 175.76 1tkj s LYS 226 N -0.75 4.29 0.74 3.99 2.20 -0.32 -4.87 119.74 125.03 1tkj s LYS 226 Ca 0.29 2.14 -0.11 0.00 -0.36 0.00 0.00 55.97 57.94 1tkj s LYS 226 Cb -0.19 -3.23 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1tkj s LYS 226 CO 0.18 -0.48 1.11 -1.54 -0.36 0.00 0.00 175.35 174.26 1tkj s SER 227 N 1.12 4.95 0.21 1.43 1.04 -1.26 -0.78 113.70 120.41 1tkj s SER 227 Ca 0.66 0.85 -0.09 0.00 0.48 0.00 0.00 55.95 57.85 1tkj s SER 227 Cb -0.38 -1.51 0.29 0.00 0.10 0.00 0.00 66.02 64.52 1tkj s SER 227 CO 0.30 -1.61 1.76 0.00 0.98 0.00 0.00 173.24 174.68 1tkj h ALA 228 N -0.79 0.86 -0.54 5.32 0.00 -1.94 0.17 119.26 122.34 1tkj h ALA 228 Ca -0.45 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1tkj h ALA 228 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1tkj h ALA 228 CO 0.64 -0.12 0.03 0.00 0.00 0.00 0.00 179.25 179.80 1tkj h ALA 229 N 1.41 1.05 -0.48 0.00 0.00 -1.99 -0.96 119.26 118.28 1tkj h ALA 229 Ca 0.32 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1tkj h ALA 229 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1tkj h ALA 229 CO -0.28 0.60 -0.23 1.96 0.00 0.00 0.00 179.25 181.31 1tkj h GLN 230 N 0.83 1.00 -0.25 0.00 4.20 -1.80 -1.84 115.11 117.25 1tkj h GLN 230 Ca 0.16 -0.44 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 1tkj h GLN 230 Cb 0.45 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1tkj h GLN 230 CO 0.02 1.11 -0.09 0.00 -0.67 0.00 0.00 178.83 179.20 1tkj h ALA 231 N 0.86 1.38 -0.45 3.87 0.00 -0.67 -0.52 119.26 123.74 1tkj h ALA 231 Ca 0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1tkj h ALA 231 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tkj h ALA 231 CO 0.07 0.43 -0.06 1.96 0.00 0.00 0.00 179.25 181.65 1tkj h GLN 232 N 0.38 0.78 0.00 0.00 1.08 -0.95 0.13 115.11 116.53 1tkj h GLN 232 Ca 0.08 -0.23 -0.12 0.00 -1.45 0.00 0.00 58.65 56.92 1tkj h GLN 232 Cb 0.40 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1tkj h GLN 232 CO 0.02 0.82 -1.07 1.57 -0.95 0.00 0.00 178.83 179.23 1tkj h LYS 233 N 0.71 0.00 0.00 1.46 2.10 -0.89 -3.39 116.57 116.57 1tkj h LYS 233 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1tkj h LYS 233 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1tkj h LYS 233 CO 0.03 0.28 0.00 0.91 -2.00 0.00 0.00 179.45 178.67 1tkj n TRP 234 N -2.95 0.00 -4.11 0.07 8.01 -0.24 -4.83 117.44 113.39 1tkj n TRP 234 Ca -0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 1tkj n TRP 234 Cb 0.76 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.06 1tkj n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1tkj n GLY 235 N 0.84 -1.97 4.32 6.99 0.00 0.44 -4.99 105.19 110.83 1tkj n GLY 235 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1tkj n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tkj n GLY 236 N 0.00 0.22 2.87 -0.02 0.00 -1.26 -4.37 105.19 102.63 1tkj n GLY 236 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 1tkj n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tkj s THR 237 N 0.00 1.27 0.43 2.61 2.01 -1.26 -5.00 115.64 115.70 1tkj s THR 237 Ca 0.00 -1.19 -0.26 0.00 0.31 0.00 0.00 61.69 60.56 1tkj s THR 237 Cb 0.00 -1.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.74 1tkj s THR 237 CO 0.00 -0.24 1.39 0.00 -0.69 0.00 0.00 174.62 175.08 1tkj s ALA 238 N 1.49 3.28 0.00 7.40 0.00 -1.26 -2.82 121.76 129.85 1tkj s ALA 238 Ca -0.01 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1tkj s ALA 238 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1tkj s ALA 238 CO -0.09 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1tkj n GLY 239 N 0.60 1.20 3.65 0.00 0.00 0.04 -4.98 105.19 105.70 1tkj n GLY 239 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1tkj n GLY 239 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tkj s GLN 240 N -0.36 2.40 0.64 1.61 -1.52 -1.13 -4.84 119.66 116.46 1tkj s GLN 240 Ca 0.00 -0.95 -0.18 0.00 -1.95 0.00 0.00 55.36 52.29 1tkj s GLN 240 Cb 0.00 -2.44 -0.03 0.00 -0.22 0.00 0.00 33.01 30.33 1tkj s GLN 240 CO 0.00 0.51 1.04 0.00 -0.25 0.00 0.00 175.29 176.59 1tkj n ALA 241 N 0.45 0.33 -0.30 6.09 0.00 -1.26 -1.17 120.51 124.65 1tkj n ALA 241 Ca -0.11 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1tkj n ALA 241 Cb 0.53 -2.16 0.14 0.00 0.00 0.00 0.00 19.45 17.95 1tkj n ALA 241 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1tkj h PHE 242 N 0.32 0.93 -3.30 0.00 0.04 -1.09 -3.37 116.94 110.47 1tkj h PHE 242 Ca -0.49 0.03 -0.59 0.00 2.80 0.00 0.00 57.97 59.72 1tkj h PHE 242 Cb 1.35 -0.30 -0.40 0.00 2.20 0.00 0.00 35.95 38.81 1tkj h PHE 242 CO 0.38 0.46 -0.75 0.34 -0.60 0.00 0.00 178.31 178.14 1tkj s ASP 243 N -5.73 4.05 0.00 2.17 -1.08 -0.16 -1.58 116.67 114.34 1tkj s ASP 243 Ca -0.13 -1.62 0.14 0.00 -0.52 0.00 0.00 52.55 50.43 1tkj s ASP 243 Cb 0.18 -1.01 0.65 0.00 -1.46 0.00 0.00 42.92 41.28 1tkj s ASP 243 CO 0.79 -0.38 1.44 0.54 0.52 0.00 0.00 175.17 178.07 1tkj n ARG 244 N 4.74 0.07 -0.19 4.34 1.74 -1.26 -2.82 116.66 123.27 1tkj n ARG 244 Ca -0.03 0.22 0.09 0.00 -0.77 0.00 0.00 57.85 57.36 1tkj n ARG 244 Cb 0.43 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.51 1tkj n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tkj n TYR 246 N -1.32 2.20 -1.95 0.00 9.36 -1.13 -1.23 117.16 123.11 1tkj n TYR 246 Ca 0.16 0.21 -0.21 0.00 3.32 0.00 0.00 57.90 61.38 1tkj n TYR 246 Cb 0.66 -2.57 -0.05 0.00 -0.63 0.00 0.00 39.34 36.74 1tkj n TYR 246 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1tkj n HIS 247 N 5.04 -0.45 -4.20 2.98 8.25 -1.26 -4.95 115.22 120.62 1tkj n HIS 247 Ca 0.21 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.42 1tkj n HIS 247 Cb 0.26 -3.67 -0.08 0.00 1.12 0.00 0.00 29.99 27.63 1tkj n HIS 247 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1tkj s SER 248 N -2.45 4.38 0.55 0.41 0.01 -0.36 -4.74 113.70 111.51 1tkj s SER 248 Ca 0.00 -1.01 0.32 0.00 1.31 0.00 0.00 55.95 56.58 1tkj s SER 248 Cb 0.00 -0.54 1.52 0.00 0.21 0.00 0.00 66.02 67.21 1tkj s SER 248 CO 0.00 -0.41 2.06 0.28 0.41 0.00 0.00 173.24 175.58 1tkj h SER 249 N 1.57 0.00 -0.18 2.44 0.02 -1.85 -2.04 113.55 113.52 1tkj h SER 249 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1tkj h SER 249 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1tkj h SER 249 CO 0.68 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 1tkj n ASP 251 N 0.05 4.10 -2.59 0.00 2.03 -0.77 -4.49 116.55 114.88 1tkj n ASP 251 Ca 0.06 -2.89 -0.06 0.00 0.52 0.00 0.00 54.79 52.43 1tkj n ASP 251 Cb 0.19 -1.63 -0.00 0.00 -0.72 0.00 0.00 41.12 38.96 1tkj n ASP 251 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1tkj n SER 252 N 5.69 1.47 0.31 1.67 3.41 -1.26 -1.59 113.62 123.32 1tkj n SER 252 Ca 0.50 -1.41 0.17 0.00 -0.26 0.00 0.00 58.87 57.88 1tkj n SER 252 Cb 0.38 0.00 1.00 0.00 -0.26 0.00 0.00 64.21 65.34 1tkj n SER 252 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1tkj h LEU 253 N 0.00 0.00 0.00 1.04 3.38 -1.93 -0.26 115.31 117.54 1tkj h LEU 253 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1tkj h LEU 253 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1tkj h LEU 253 CO 0.12 0.01 0.00 -1.20 0.09 0.00 0.00 178.44 177.45 1tkj n SER 254 N -3.61 0.00 -2.61 -0.43 7.64 -1.26 -3.98 113.62 109.37 1tkj n SER 254 Ca -0.03 0.23 -0.35 0.00 1.01 0.00 0.00 58.87 59.73 1tkj n SER 254 Cb 0.09 -0.40 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1tkj n SER 254 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1tkj n ASN 255 N -1.40 7.38 -3.90 6.43 5.15 -0.11 -4.89 115.26 123.93 1tkj n ASN 255 Ca 0.08 -3.69 -0.17 0.00 -0.60 0.00 0.00 54.58 50.21 1tkj n ASN 255 Cb 0.23 -1.06 -0.15 0.00 -0.53 0.00 0.00 39.78 38.27 1tkj n ASN 255 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1tkj s ILE 256 N -4.44 0.36 -0.35 -1.44 -1.09 -1.26 -4.37 121.20 108.62 1tkj s ILE 256 Ca 0.55 -0.11 -0.19 0.00 -2.23 0.00 0.00 60.65 58.67 1tkj s ILE 256 Cb 0.44 -0.36 -0.00 0.00 -1.58 0.00 0.00 42.46 40.96 1tkj s ILE 256 CO -0.24 0.14 0.55 0.21 -1.23 0.00 0.00 174.94 174.38 1tkj s ASN 257 N 0.40 6.35 0.23 3.58 3.84 0.27 -4.76 114.94 124.85 1tkj s ASN 257 Ca -0.04 0.04 -0.08 0.00 0.21 0.00 0.00 52.86 52.99 1tkj s ASN 257 Cb -0.08 -2.29 0.20 0.00 -0.55 0.00 0.00 41.25 38.53 1tkj s ASN 257 CO -0.00 -0.51 1.86 0.44 -2.79 0.00 0.00 177.10 176.09 1tkj h ASP 258 N 8.45 1.07 -0.47 -4.21 3.32 -1.93 -1.62 116.42 121.02 1tkj h ASP 258 Ca -0.27 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1tkj h ASP 258 Cb 1.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1tkj h ASP 258 CO 0.79 0.84 0.23 0.74 -1.72 0.00 0.00 179.24 180.13 1tkj h THR 259 N 1.21 1.19 -0.59 0.35 2.02 -1.98 0.38 112.91 115.48 1tkj h THR 259 Ca 0.31 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 1tkj h THR 259 Cb -0.01 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1tkj h THR 259 CO -0.05 0.20 0.07 0.00 0.37 0.00 0.00 175.52 176.11 1tkj h ALA 260 N 1.07 0.79 -0.74 6.16 0.00 -1.80 -0.28 119.26 124.46 1tkj h ALA 260 Ca 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1tkj h ALA 260 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1tkj h ALA 260 CO -0.02 0.56 0.33 1.25 0.00 0.00 0.00 179.25 181.37 1tkj h LEU 261 N 0.89 1.00 0.18 0.00 5.85 -0.97 -0.77 115.31 121.50 1tkj h LEU 261 Ca 0.18 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1tkj h LEU 261 Cb 0.45 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1tkj h LEU 261 CO 0.02 0.88 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.13 1tkj h ASP 262 N 1.06 -0.21 -0.54 1.25 3.58 -0.63 -0.45 116.42 120.48 1tkj h ASP 262 Ca 0.25 -0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.53 1tkj h ASP 262 Cb 0.17 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1tkj h ASP 262 CO -0.03 0.09 0.31 0.03 -2.88 0.00 0.00 179.24 176.77 1tkj h ARG 263 N -0.51 0.60 -0.01 0.28 3.08 -0.91 -0.49 114.38 116.40 1tkj h ARG 263 Ca -0.02 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1tkj h ARG 263 Cb 0.39 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1tkj h ARG 263 CO 0.04 0.39 -0.74 -0.91 -1.07 0.00 0.00 179.97 177.68 1tkj h ASN 264 N 0.61 0.14 -0.48 7.04 2.35 -1.12 0.44 115.58 124.56 1tkj h ASN 264 Ca 0.22 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1tkj h ASN 264 Cb 0.05 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1tkj h ASN 264 CO -0.11 0.83 0.08 0.28 -1.65 0.00 0.00 177.43 176.86 1tkj h SER 265 N 0.07 0.76 -0.64 5.81 0.02 -0.74 -0.24 113.55 118.60 1tkj h SER 265 Ca -0.02 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 1tkj h SER 265 Cb 1.31 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1tkj h SER 265 CO 0.11 0.83 0.18 0.44 -1.14 0.00 0.00 176.83 177.24 1tkj h ASP 266 N 0.67 0.97 -0.25 3.07 3.32 -0.91 -2.02 116.42 121.27 1tkj h ASP 266 Ca 0.15 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1tkj h ASP 266 Cb 0.39 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1tkj h ASP 266 CO 0.01 0.92 -0.23 0.00 -1.72 0.00 0.00 179.24 178.22 1tkj h ALA 267 N 1.20 0.91 -0.13 3.45 0.00 -0.75 -0.54 119.26 123.41 1tkj h ALA 267 Ca 0.21 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1tkj h ALA 267 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1tkj h ALA 267 CO -0.00 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.91 1tkj h ALA 268 N 1.11 0.14 -0.67 0.00 0.00 -0.72 0.32 119.26 119.43 1tkj h ALA 268 Ca 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1tkj h ALA 268 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1tkj h ALA 268 CO 0.06 -0.40 0.19 0.00 0.00 0.00 0.00 179.25 179.09 1tkj h ALA 269 N 1.08 0.89 -0.25 0.00 0.00 -1.19 -0.91 119.26 118.88 1tkj h ALA 269 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1tkj h ALA 269 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1tkj h ALA 269 CO -0.05 0.59 0.08 1.25 0.00 0.00 0.00 179.25 181.11 1tkj h HIS 270 N 1.00 0.14 -0.48 0.00 6.17 -0.75 -1.07 115.15 120.15 1tkj h HIS 270 Ca 0.21 0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.24 1tkj h HIS 270 Cb 0.33 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.22 1tkj h HIS 270 CO 0.03 0.06 0.04 0.00 0.71 0.00 0.00 177.93 178.77 1tkj h ALA 271 N 1.17 0.64 -0.75 5.26 0.00 -0.72 -0.82 119.26 124.05 1tkj h ALA 271 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1tkj h ALA 271 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1tkj h ALA 271 CO -0.13 0.41 0.44 0.82 0.00 0.00 0.00 179.25 180.79 1tkj h ILE 272 N 0.69 1.21 0.07 0.00 2.04 -0.82 0.73 117.51 121.43 1tkj h ILE 272 Ca 0.14 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1tkj h ILE 272 Cb 0.44 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1tkj h ILE 272 CO 0.02 0.23 -0.03 -0.50 0.00 0.00 0.00 178.15 177.86 1tkj h TRP 273 N 1.02 -0.08 -0.70 1.37 6.55 -1.09 -2.62 115.95 120.40 1tkj h TRP 273 Ca 0.27 -0.00 -0.06 0.00 0.95 0.00 0.00 58.89 60.05 1tkj h TRP 273 Cb -0.02 0.03 -0.03 0.00 -0.86 0.00 0.00 29.16 28.28 1tkj h TRP 273 CO -0.01 0.20 0.21 1.79 -1.05 0.00 0.00 178.44 179.57 1tkj h THR 274 N -0.36 1.26 -0.00 1.49 1.35 -0.89 -2.76 112.91 112.99 1tkj h THR 274 Ca -0.01 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1tkj h THR 274 Cb 0.32 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1tkj h THR 274 CO 0.02 0.35 -0.06 0.18 -0.25 0.00 0.00 175.52 175.76 1tkj n LEU 275 N -4.28 0.12 -0.78 3.87 4.77 0.23 -3.36 117.00 117.57 1tkj n LEU 275 Ca 0.05 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1tkj n LEU 275 Cb 0.23 -0.35 0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1tkj n LEU 275 CO 0.42 0.03 0.56 -1.54 -1.33 0.00 0.00 177.39 175.53 1tkj n SER 276 N -1.33 2.66 -0.47 -1.43 3.41 -0.99 -4.93 113.62 110.56 1tkj n SER 276 Ca 0.11 -1.80 0.14 0.00 -0.26 0.00 0.00 58.87 57.05 1tkj n SER 276 Cb 0.29 -0.04 0.54 0.00 -0.26 0.00 0.00 64.21 64.74 1tkj n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68