#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtf n ASP 2 N 0.00 6.09 -4.87 6.12 2.03 -1.26 -4.99 116.55 119.67 1jtf n ASP 2 Ca 0.00 -2.86 -0.26 0.00 0.52 0.00 0.00 54.79 52.19 1jtf n ASP 2 Cb 0.00 -1.55 0.08 0.00 -0.72 0.00 0.00 41.12 38.92 1jtf n ASP 2 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1jtf s VAL 3 N 1.72 2.26 0.00 5.18 -7.23 -1.26 -2.17 120.40 118.90 1jtf s VAL 3 Ca 0.53 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1jtf s VAL 3 Cb 0.15 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1jtf s VAL 3 CO -0.06 0.00 0.00 0.55 -0.31 0.00 0.00 175.10 175.28 1jtf n VAL 4 N -2.95 0.00 -4.48 1.32 3.14 0.42 -4.78 118.33 111.00 1jtf n VAL 4 Ca 0.09 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.14 1jtf n VAL 4 Cb 0.60 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.23 1jtf n VAL 4 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jtf s SER 5 N 0.00 3.77 0.04 6.55 0.01 -1.26 0.08 113.70 122.88 1jtf s SER 5 Ca 0.00 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 56.87 1jtf s SER 5 Cb 0.00 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 1jtf s SER 5 CO 0.00 0.08 -0.16 -0.76 0.41 0.00 0.00 173.24 172.81 1jtf s LEU 6 N 0.83 2.16 -0.11 2.44 1.02 -1.26 -5.04 118.68 118.73 1jtf s LEU 6 Ca -0.05 -0.47 -0.25 0.00 0.02 0.00 0.00 54.13 53.39 1jtf s LEU 6 Cb -0.15 -0.74 -0.21 0.00 0.02 0.00 0.00 46.19 45.11 1jtf s LEU 6 CO -0.00 0.08 0.79 0.44 0.02 0.00 0.00 176.35 177.69 1jtf h ASP 7 N 4.96 -0.02 -5.23 2.29 3.45 -2.01 -3.47 116.42 116.39 1jtf h ASP 7 Ca -0.39 -0.74 -0.08 0.00 0.43 0.00 0.00 57.03 56.25 1jtf h ASP 7 Cb 1.17 0.01 -0.11 0.00 -0.56 0.00 0.00 39.33 39.83 1jtf h ASP 7 CO 0.44 0.79 -0.21 -1.59 -1.57 0.00 0.00 179.24 177.10 1jtf s LYS 8 N -2.64 1.29 0.51 3.56 0.00 -1.26 -5.17 119.74 116.02 1jtf s LYS 8 Ca -0.16 -1.13 0.04 0.00 0.00 0.00 0.00 55.97 54.73 1jtf s LYS 8 Cb -0.02 0.43 0.03 0.00 0.00 0.00 0.00 37.83 38.27 1jtf s LYS 8 CO 0.59 -0.50 0.70 -1.25 0.00 0.00 0.00 175.35 174.89 1jtf s PRO 9 N -3.96 2.61 -0.64 1.78 0.04 -1.26 -5.03 135.00 128.54 1jtf s PRO 9 Ca 0.17 -1.02 -0.27 0.00 0.04 0.00 0.00 61.00 59.91 1jtf s PRO 9 Cb 0.02 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1jtf s PRO 9 CO 0.01 -0.58 1.47 -0.06 0.04 0.00 0.00 177.00 177.89 1jtf s PHE 10 N -2.61 2.14 0.12 0.56 0.08 -1.26 -4.84 117.98 112.16 1jtf s PHE 10 Ca 0.57 0.35 0.06 0.00 0.12 0.00 0.00 56.93 58.03 1jtf s PHE 10 Cb -0.10 -4.41 -0.21 0.00 -0.57 0.00 0.00 43.02 37.73 1jtf s PHE 10 CO 0.36 -2.10 1.26 0.52 -0.10 0.00 0.00 175.22 175.17 1jtf h MET 11 N 11.59 0.04 -5.13 0.44 2.86 -1.95 -3.44 114.93 119.33 1jtf h MET 11 Ca -0.27 -0.06 -0.39 0.00 -2.06 0.00 0.00 59.70 56.92 1jtf h MET 11 Cb 1.09 0.02 -0.23 0.00 0.06 0.00 0.00 31.60 32.55 1jtf h MET 11 CO 1.22 1.03 -0.77 0.71 1.06 0.00 0.00 176.91 180.16 1jtf s TYR 12 N -2.71 1.07 0.42 -0.22 1.51 -1.26 -1.16 117.35 115.00 1jtf s TYR 12 Ca 0.00 -0.42 0.25 0.00 -1.01 0.00 0.00 57.07 55.89 1jtf s TYR 12 Cb 0.10 -0.62 1.29 0.00 -0.11 0.00 0.00 41.96 42.62 1jtf s TYR 12 CO 0.83 0.02 1.68 0.35 -1.11 0.00 0.00 175.55 177.32 1jtf h PHE 13 N 4.59 0.58 0.00 2.71 3.04 -1.54 0.13 116.94 126.45 1jtf h PHE 13 Ca -0.38 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.59 1jtf h PHE 13 Cb 1.19 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.55 1jtf h PHE 13 CO 0.60 -0.10 0.00 0.39 -2.02 0.00 0.00 178.31 177.18 1jtf n GLU 14 N -4.67 0.19 0.09 1.11 4.71 -1.26 -2.49 120.64 118.31 1jtf n GLU 14 Ca 0.32 0.48 0.04 0.00 -0.01 0.00 0.00 57.16 57.99 1jtf n GLU 14 Cb 1.20 -1.90 -0.02 0.00 -1.01 0.00 0.00 31.44 29.71 1jtf n GLU 14 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1jtf h GLU 15 N 0.00 0.00 -5.93 3.49 5.08 -1.13 -3.45 114.58 112.63 1jtf h GLU 15 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1jtf h GLU 15 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jtf h GLU 15 CO 0.00 0.26 1.51 -0.89 -1.00 0.00 0.00 179.01 178.89 1jtf n ILE 16 N -2.95 0.27 -0.61 3.13 5.41 -1.04 -4.84 119.36 118.73 1jtf n ILE 16 Ca -0.03 -0.48 -0.17 0.00 1.00 0.00 0.00 62.75 63.06 1jtf n ILE 16 Cb 0.73 -2.48 0.12 0.00 -0.71 0.00 0.00 39.64 37.30 1jtf n ILE 16 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1jtf n ASP 17 N 12.03 3.73 -3.57 4.38 3.85 -1.26 -4.94 116.55 130.77 1jtf n ASP 17 Ca 0.32 -3.16 -0.07 0.00 -0.71 0.00 0.00 54.79 51.18 1jtf n ASP 17 Cb 0.43 -0.76 -0.03 0.00 -1.35 0.00 0.00 41.12 39.41 1jtf n ASP 17 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1jtf s ASN 18 N -0.63 -0.27 0.23 -1.12 3.84 -1.26 -5.18 114.94 110.55 1jtf s ASN 18 Ca 0.41 0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.63 1jtf s ASN 18 Cb 0.34 0.25 -0.05 0.00 -0.55 0.00 0.00 41.25 41.24 1jtf s ASN 18 CO 0.07 -0.36 0.02 -1.83 -2.79 0.00 0.00 177.10 172.22 1jtf s GLU 19 N -2.07 1.32 -0.04 0.43 -1.05 -1.26 -4.45 118.70 111.58 1jtf s GLU 19 Ca 0.05 -1.68 -0.07 0.00 -0.15 0.00 0.00 54.97 53.12 1jtf s GLU 19 Cb -0.01 -0.47 0.01 0.00 -0.44 0.00 0.00 34.13 33.22 1jtf s GLU 19 CO -0.04 -0.15 0.16 -0.51 0.95 0.00 0.00 175.26 175.67 1jtf s LEU 20 N -3.29 1.41 0.03 1.83 1.43 -0.67 -4.87 118.68 114.55 1jtf s LEU 20 Ca 0.30 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1jtf s LEU 20 Cb 0.06 0.64 -0.06 0.00 0.03 0.00 0.00 46.19 46.86 1jtf s LEU 20 CO 0.09 -0.18 1.45 -1.81 0.23 0.00 0.00 176.35 176.13 1jtf s ASP 21 N -0.47 6.79 0.17 2.29 -0.00 -1.26 -4.33 116.67 119.86 1jtf s ASP 21 Ca -0.06 2.22 -0.32 0.00 -0.00 0.00 0.00 52.55 54.40 1jtf s ASP 21 Cb -0.04 -2.56 -0.11 0.00 -0.00 0.00 0.00 42.92 40.21 1jtf s ASP 21 CO 0.01 -0.75 1.66 -0.47 -0.00 0.00 0.00 175.17 175.62 1jtf s TYR 22 N 2.28 2.85 -0.47 4.23 5.04 -1.26 -4.98 117.35 125.04 1jtf s TYR 22 Ca 0.66 0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 55.60 1jtf s TYR 22 Cb -0.34 -4.03 0.10 0.00 0.35 0.00 0.00 41.96 38.04 1jtf s TYR 22 CO 0.28 -3.94 0.36 -1.21 -1.34 0.00 0.00 175.55 169.70 1jtf s GLU 23 N 1.47 2.72 0.62 4.97 2.02 -1.26 -4.96 118.70 124.28 1jtf s GLU 23 Ca 0.73 -1.57 0.22 0.00 0.02 0.00 0.00 54.97 54.38 1jtf s GLU 23 Cb -0.46 -3.99 0.99 0.00 0.10 0.00 0.00 34.13 30.77 1jtf s GLU 23 CO 0.32 -1.11 1.49 -1.00 0.02 0.00 0.00 175.26 174.99 1jtf h PRO 24 N 8.58 0.00 0.00 0.39 0.13 -2.05 0.39 132.00 139.44 1jtf h PRO 24 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 1jtf h PRO 24 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1jtf h PRO 24 CO 0.86 0.00 -0.27 0.93 -0.23 0.00 0.00 178.00 179.29 1jtf h GLU 25 N 0.00 0.00 0.00 0.86 3.07 -2.03 -2.75 114.58 113.74 1jtf h GLU 25 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1jtf h GLU 25 Cb 1.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.84 1jtf h GLU 25 CO -0.00 0.27 0.15 0.66 -1.40 0.00 0.00 179.01 178.69 1jtf h SER 26 N 0.00 0.00 -0.06 1.42 4.64 -1.33 -1.35 113.55 116.87 1jtf h SER 26 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1jtf h SER 26 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1jtf h SER 26 CO 0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.89 1jtf h ALA 27 N 1.68 1.42 0.00 5.18 0.00 -1.70 -2.12 119.26 123.72 1jtf h ALA 27 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jtf h ALA 27 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jtf h ALA 27 CO 0.00 0.40 0.00 -0.91 0.00 0.00 0.00 179.25 178.74 1jtf h ASN 28 N 0.34 0.00 -3.84 0.00 4.21 -1.46 -3.46 115.58 111.35 1jtf h ASN 28 Ca 0.07 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.08 1jtf h ASN 28 Cb 0.39 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.61 1jtf h ASN 28 CO 0.02 0.00 0.47 -1.61 -1.29 0.00 0.00 177.43 175.02 1jtf s GLU 29 N -3.17 4.51 -0.41 0.81 2.02 -0.80 -4.91 118.70 116.75 1jtf s GLU 29 Ca 0.09 1.78 -0.44 0.00 0.02 0.00 0.00 54.97 56.42 1jtf s GLU 29 Cb 0.11 -3.04 -0.18 0.00 0.10 0.00 0.00 34.13 31.12 1jtf s GLU 29 CO 0.57 0.10 1.70 0.28 0.02 0.00 0.00 175.26 177.92 1jtf n VAL 30 N 0.89 0.13 0.20 2.63 0.31 -1.26 -4.85 118.33 116.39 1jtf n VAL 30 Ca 0.00 -0.03 0.10 0.00 -0.01 0.00 0.00 64.34 64.40 1jtf n VAL 30 Cb 0.46 -0.83 0.21 0.00 -0.91 0.00 0.00 33.84 32.77 1jtf n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jtf h ALA 31 N 6.23 0.91 -2.43 3.52 0.00 -1.92 -3.43 119.26 122.14 1jtf h ALA 31 Ca -0.43 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1jtf h ALA 31 Cb 1.35 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.90 1jtf h ALA 31 CO 0.98 0.20 -0.14 -1.59 0.00 0.00 0.00 179.25 178.69 1jtf s LYS 32 N -3.23 0.71 -0.02 0.00 -2.85 -1.26 -0.80 119.74 112.28 1jtf s LYS 32 Ca 0.05 0.17 0.07 0.00 -1.00 0.00 0.00 55.97 55.25 1jtf s LYS 32 Cb 0.07 0.33 -0.11 0.00 -2.06 0.00 0.00 37.83 36.06 1jtf s LYS 32 CO 0.67 -0.18 0.12 0.36 0.10 0.00 0.00 175.35 176.43 1jtf n LYS 33 N 1.68 0.92 -4.22 1.78 -0.00 -1.26 -5.05 118.16 112.01 1jtf n LYS 33 Ca -0.18 -0.05 -0.31 0.00 -0.00 0.00 0.00 58.31 57.77 1jtf n LYS 33 Cb 0.56 -1.17 -0.09 0.00 -0.00 0.00 0.00 35.03 34.33 1jtf n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jtf s LEU 34 N -3.77 3.37 0.29 -5.58 1.43 -1.26 -5.11 118.68 108.05 1jtf s LEU 34 Ca -0.03 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1jtf s LEU 34 Cb 0.04 -2.05 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 1jtf s LEU 34 CO 0.30 0.21 1.02 -2.16 0.23 0.00 0.00 176.35 175.95 1jtf s PRO 35 N -2.02 4.64 -1.80 1.29 0.04 -1.26 -3.15 135.00 132.74 1jtf s PRO 35 Ca 0.23 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1jtf s PRO 35 Cb -0.11 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1jtf s PRO 35 CO 0.14 0.28 0.00 0.66 0.04 0.00 0.00 177.00 178.12 1jtf n TYR 36 N 1.05 -0.89 -0.27 0.56 4.02 -1.26 -4.83 117.16 115.53 1jtf n TYR 36 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 1jtf n TYR 36 Cb 0.47 -3.84 0.31 0.00 -0.02 0.00 0.00 39.34 36.25 1jtf n TYR 36 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1jtf h GLN 37 N 0.00 0.84 -0.38 -0.72 4.15 -1.90 -1.18 115.11 115.92 1jtf h GLN 37 Ca -0.48 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 58.96 1jtf h GLN 37 Cb 1.35 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.80 1jtf h GLN 37 CO 0.58 0.55 0.03 0.78 -1.93 0.00 0.00 178.83 178.84 1jtf h GLY 38 N 0.86 0.40 2.00 2.39 0.00 -1.88 0.33 103.07 107.17 1jtf h GLY 38 Ca 0.40 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1jtf h GLY 38 CO -0.16 -0.07 -0.20 1.46 0.00 0.00 0.00 176.54 177.57 1jtf h GLN 39 N 0.14 0.00 0.09 4.80 1.08 -1.66 -1.88 115.11 117.67 1jtf h GLN 39 Ca 0.19 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1jtf h GLN 39 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1jtf h GLN 39 CO -0.29 0.20 -0.04 1.25 -0.95 0.00 0.00 178.83 179.00 1jtf h LEU 40 N 0.00 -0.10 -0.36 1.46 5.85 0.22 -1.57 115.31 120.81 1jtf h LEU 40 Ca -0.00 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1jtf h LEU 40 Cb 0.80 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1jtf h LEU 40 CO 0.03 0.47 -0.10 0.50 -0.34 0.00 0.00 178.44 179.00 1jtf h LYS 41 N -0.73 -0.01 -0.21 1.25 3.64 -0.35 -1.07 116.57 119.09 1jtf h LYS 41 Ca -0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1jtf h LYS 41 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1jtf h LYS 41 CO 0.02 -0.00 0.13 -0.07 -2.27 0.00 0.00 179.45 177.25 1jtf h LEU 42 N -0.01 0.21 -0.22 5.20 3.38 -1.42 -2.99 115.31 119.46 1jtf h LEU 42 Ca 0.17 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1jtf h LEU 42 Cb 0.27 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jtf h LEU 42 CO -0.38 0.16 -0.15 0.25 0.09 0.00 0.00 178.44 178.41 1jtf h LEU 43 N 0.27 0.52 -0.35 1.67 5.85 -0.71 -0.42 115.31 122.13 1jtf h LEU 43 Ca 0.08 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1jtf h LEU 43 Cb -0.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1jtf h LEU 43 CO -0.03 0.84 0.17 -0.07 -0.34 0.00 0.00 178.44 179.01 1jtf h LEU 44 N 0.19 0.46 -0.16 2.25 3.38 -1.29 0.53 115.31 120.68 1jtf h LEU 44 Ca 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jtf h LEU 44 Cb 0.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1jtf h LEU 44 CO 0.04 0.45 0.09 1.23 0.09 0.00 0.00 178.44 180.34 1jtf h GLY 45 N 0.43 0.23 2.00 0.83 0.00 -1.56 -0.55 103.07 104.45 1jtf h GLY 45 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1jtf h GLY 45 CO -0.02 0.10 0.00 0.83 0.00 0.00 0.00 176.54 177.45 1jtf h GLU 46 N 0.16 0.00 0.12 4.80 5.08 -0.70 -1.41 114.58 122.62 1jtf h GLU 46 Ca 0.06 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.13 1jtf h GLU 46 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1jtf h GLU 46 CO -0.01 0.00 -1.37 -0.07 -1.00 0.00 0.00 179.01 176.56 1jtf h LEU 47 N 0.00 0.40 0.42 1.33 3.38 -0.59 -3.02 115.31 117.23 1jtf h LEU 47 Ca 0.00 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1jtf h LEU 47 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jtf h LEU 47 CO 0.00 1.39 -0.20 0.15 0.09 0.00 0.00 178.44 179.87 1jtf h PHE 48 N 0.07 -0.52 -0.07 1.13 3.57 -0.56 -2.56 116.94 118.00 1jtf h PHE 48 Ca -0.18 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.34 1jtf h PHE 48 Cb 1.99 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 40.84 1jtf h PHE 48 CO 0.06 -0.20 -0.45 0.35 -2.23 0.00 0.00 178.31 175.84 1jtf h PHE 49 N -0.85 -1.31 -0.86 0.41 3.57 -1.40 -2.86 116.94 113.63 1jtf h PHE 49 Ca -0.06 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1jtf h PHE 49 Cb 0.55 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 1jtf h PHE 49 CO 0.01 -0.51 0.57 -0.07 -2.23 0.00 0.00 178.31 176.08 1jtf h LEU 50 N -0.56 0.98 -1.17 0.59 -0.00 -1.64 -2.50 115.31 111.01 1jtf h LEU 50 Ca 0.05 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1jtf h LEU 50 Cb 0.66 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.04 1jtf h LEU 50 CO -0.37 0.71 0.56 0.28 -0.00 0.00 0.00 178.44 179.61 1jtf h SER 51 N 1.16 0.96 0.48 -0.43 0.02 -1.32 -1.39 113.55 113.04 1jtf h SER 51 Ca 0.32 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1jtf h SER 51 Cb -0.12 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 1jtf h SER 51 CO -0.07 0.70 -0.43 0.50 -1.14 0.00 0.00 176.83 176.38 1jtf h LYS 52 N 1.14 -0.88 -0.79 3.45 3.64 -1.23 0.17 116.57 122.07 1jtf h LYS 52 Ca 0.31 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.93 1jtf h LYS 52 Cb -0.12 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 31.78 1jtf h LYS 52 CO -0.07 -0.59 0.21 -0.07 -2.27 0.00 0.00 179.45 176.67 1jtf h LEU 53 N -0.91 0.04 -0.58 5.20 3.38 -1.16 0.88 115.31 122.16 1jtf h LEU 53 Ca -0.05 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jtf h LEU 53 Cb 0.79 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1jtf h LEU 53 CO -0.03 -0.06 0.34 -0.61 0.09 0.00 0.00 178.44 178.17 1jtf h GLN 54 N 0.27 0.79 -0.34 1.13 4.15 -0.89 0.44 115.11 120.66 1jtf h GLN 54 Ca 0.46 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 1jtf h GLN 54 Cb 0.84 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1jtf h GLN 54 CO -0.55 0.58 0.15 -0.09 -1.93 0.00 0.00 178.83 176.98 1jtf h ARG 55 N 0.78 0.46 -0.01 1.69 2.43 0.36 -1.96 114.38 118.13 1jtf h ARG 55 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1jtf h ARG 55 Cb -0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1jtf h ARG 55 CO -0.04 0.37 -0.18 0.72 -1.51 0.00 0.00 179.97 179.34 1jtf n HIS 56 N -4.42 0.00 -2.64 2.20 8.25 0.14 -4.95 115.22 113.80 1jtf n HIS 56 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.41 1jtf n HIS 56 Cb 0.12 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.15 1jtf n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jtf n GLY 57 N 1.29 0.43 0.00 -1.41 0.00 -0.02 -4.97 105.19 100.50 1jtf n GLY 57 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1jtf n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jtf n ILE 58 N -3.41 0.00 -0.08 -0.61 -5.35 -0.25 -4.85 119.36 104.81 1jtf n ILE 58 Ca -0.02 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 1jtf n ILE 58 Cb 0.53 1.41 -0.10 0.00 -1.74 0.00 0.00 39.64 39.73 1jtf n ILE 58 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1jtf h LEU 59 N 0.00 0.00 -9.26 7.28 5.85 -1.88 -3.42 115.31 113.88 1jtf h LEU 59 Ca 0.00 -0.68 -0.64 0.00 0.84 0.00 0.00 57.88 57.40 1jtf h LEU 59 Cb 0.20 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.25 1jtf h LEU 59 CO 0.00 1.04 1.03 -0.67 -0.34 0.00 0.00 178.44 179.51 1jtf n ASP 60 N -4.59 3.16 0.00 1.25 4.64 -1.26 -1.10 116.55 118.66 1jtf n ASP 60 Ca -0.14 1.00 0.00 0.00 -1.38 0.00 0.00 54.79 54.27 1jtf n ASP 60 Cb 0.45 -1.32 0.00 0.00 -1.04 0.00 0.00 41.12 39.22 1jtf n ASP 60 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1jtf n GLY 61 N 4.28 0.81 3.83 0.27 0.00 0.44 -4.96 105.19 109.85 1jtf n GLY 61 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1jtf n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jtf s ALA 62 N -2.30 2.61 -0.17 4.61 0.00 -0.26 -4.64 121.76 121.60 1jtf s ALA 62 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1jtf s ALA 62 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1jtf s ALA 62 CO 0.00 -1.32 -0.02 0.99 0.00 0.00 0.00 175.76 175.41 1jtf s THR 63 N -3.12 3.95 -0.25 0.00 2.01 0.34 -2.41 115.64 116.17 1jtf s THR 63 Ca 0.59 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.09 1jtf s THR 63 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1jtf s THR 63 CO 0.54 0.47 0.43 -0.69 -0.69 0.00 0.00 174.62 174.69 1jtf s VAL 64 N 0.54 5.14 -0.30 3.82 1.01 0.29 -0.82 120.40 130.09 1jtf s VAL 64 Ca -0.02 0.71 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 1jtf s VAL 64 Cb -0.14 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1jtf s VAL 64 CO 0.02 0.16 0.13 -0.69 0.00 0.00 0.00 175.10 174.72 1jtf s VAL 65 N 1.96 4.43 -0.19 2.92 1.01 0.73 0.27 120.40 131.54 1jtf s VAL 65 Ca 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1jtf s VAL 65 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1jtf s VAL 65 CO 0.09 0.09 -0.07 -0.47 0.00 0.00 0.00 175.10 174.74 1jtf s TYR 66 N 1.59 2.92 -0.14 5.22 6.14 0.15 -0.68 117.35 132.53 1jtf s TYR 66 Ca 0.04 -0.87 -0.00 0.00 0.64 0.00 0.00 57.07 56.88 1jtf s TYR 66 Cb -0.17 -2.02 -0.01 0.00 0.42 0.00 0.00 41.96 40.18 1jtf s TYR 66 CO 0.05 -0.44 -0.13 0.42 0.64 0.00 0.00 175.55 176.09 1jtf s ILE 67 N 1.10 3.00 0.00 3.14 1.01 0.12 -1.01 121.20 128.57 1jtf s ILE 67 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1jtf s ILE 67 Cb -0.15 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1jtf s ILE 67 CO -0.01 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1jtf n GLY 68 N 3.72 0.72 0.02 6.18 0.00 -0.40 0.11 105.19 115.54 1jtf n GLY 68 Ca -0.18 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.54 1jtf n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jtf n SER 69 N -1.08 0.18 -4.75 1.61 3.41 -1.23 -4.16 113.62 107.61 1jtf n SER 69 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1jtf n SER 69 Cb 0.42 1.85 -0.06 0.00 -0.26 0.00 0.00 64.21 66.16 1jtf n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jtf s ALA 70 N -3.35 3.34 0.25 7.33 0.00 -1.26 -0.08 121.76 127.99 1jtf s ALA 70 Ca -0.08 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1jtf s ALA 70 Cb 0.13 -3.20 0.32 0.00 0.00 0.00 0.00 23.12 20.37 1jtf s ALA 70 CO 0.87 0.19 1.72 -1.00 0.00 0.00 0.00 175.76 177.54 1jtf h PRO 71 N 4.35 0.72 -5.02 0.00 0.13 -1.96 -3.49 132.00 126.73 1jtf h PRO 71 Ca -0.45 -0.23 -0.34 0.00 -0.87 0.00 0.00 66.00 64.11 1jtf h PRO 71 Cb 1.20 -0.07 0.11 0.00 0.13 0.00 0.00 31.00 32.38 1jtf h PRO 71 CO 0.68 0.80 -0.57 0.41 -0.23 0.00 0.00 178.00 179.09 1jtf n GLY 72 N -0.50 -0.32 0.17 1.56 0.00 0.88 -1.44 105.19 105.55 1jtf n GLY 72 Ca 0.01 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1jtf n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jtf h THR 73 N -2.22 1.08 -0.06 2.61 2.02 -1.93 -2.37 112.91 112.04 1jtf h THR 73 Ca -0.48 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1jtf h THR 73 Cb 1.31 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1jtf h THR 73 CO 0.48 0.10 -0.01 1.12 0.37 0.00 0.00 175.52 177.58 1jtf h HIS 74 N 0.52 0.08 -0.62 3.16 2.07 -1.91 -2.75 115.15 115.69 1jtf h HIS 74 Ca 0.15 -0.00 0.12 0.00 -2.85 0.00 0.00 60.37 57.79 1jtf h HIS 74 Cb -0.04 -0.03 -0.04 0.00 2.57 0.00 0.00 27.41 29.88 1jtf h HIS 74 CO -0.06 0.09 0.42 0.82 -3.07 0.00 0.00 177.93 176.14 1jtf h ILE 75 N 0.08 0.85 -0.12 6.12 2.04 -1.81 -2.19 117.51 122.49 1jtf h ILE 75 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jtf h ILE 75 Cb 0.07 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1jtf h ILE 75 CO 0.00 0.07 0.08 -0.09 0.00 0.00 0.00 178.15 178.20 1jtf h ARG 76 N 0.36 0.16 -0.68 2.37 9.65 -1.57 0.41 114.38 125.09 1jtf h ARG 76 Ca 0.30 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1jtf h ARG 76 Cb 0.67 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1jtf h ARG 76 CO -0.08 0.13 0.42 -0.92 2.80 0.00 0.00 179.97 182.33 1jtf h TYR 77 N 0.14 0.88 -0.19 2.20 5.03 -1.57 -1.35 116.97 122.11 1jtf h TYR 77 Ca 0.04 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1jtf h TYR 77 Cb 0.01 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 37.95 1jtf h TYR 77 CO -0.06 0.58 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.17 1jtf h LEU 78 N 0.92 -0.37 -0.91 2.82 3.38 -1.12 0.00 115.31 120.03 1jtf h LEU 78 Ca 0.24 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1jtf h LEU 78 Cb -0.06 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1jtf h LEU 78 CO -0.05 -0.15 0.58 -0.09 0.09 0.00 0.00 178.44 178.82 1jtf h ARG 79 N -0.11 1.05 -0.28 1.13 1.12 0.22 -2.62 114.38 114.90 1jtf h ARG 79 Ca 0.11 -0.06 -0.15 0.00 -1.11 0.00 0.00 59.98 58.77 1jtf h ARG 79 Cb 0.27 -0.24 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1jtf h ARG 79 CO -0.25 0.70 -0.41 -0.44 -3.11 0.00 0.00 179.97 176.46 1jtf h ASP 80 N 1.09 0.83 -0.58 -3.80 3.45 -0.94 -2.50 116.42 113.97 1jtf h ASP 80 Ca 0.38 -0.51 0.06 0.00 0.43 0.00 0.00 57.03 57.40 1jtf h ASP 80 Cb 0.11 -0.24 -0.06 0.00 -0.56 0.00 0.00 39.33 38.58 1jtf h ASP 80 CO -0.15 1.18 0.27 -0.74 -1.57 0.00 0.00 179.24 178.23 1jtf h HIS 81 N 0.51 0.49 0.00 4.55 2.76 -0.64 0.51 115.15 123.33 1jtf h HIS 81 Ca 0.03 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 1jtf h HIS 81 Cb 1.00 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 1jtf h HIS 81 CO 0.08 0.21 -0.97 0.74 -1.30 0.00 0.00 177.93 176.69 1jtf h PHE 82 N 0.51 0.01 -0.52 5.26 -1.00 -1.53 -2.46 116.94 117.22 1jtf h PHE 82 Ca 0.27 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.94 1jtf h PHE 82 Cb 0.23 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1jtf h PHE 82 CO -0.12 0.97 -0.09 -0.92 -1.61 0.00 0.00 178.31 176.55 1jtf h TYR 83 N 0.00 1.05 -0.00 -0.55 5.03 -0.95 0.23 116.97 121.78 1jtf h TYR 83 Ca -0.01 -0.20 -0.17 0.00 2.58 0.00 0.00 58.73 60.93 1jtf h TYR 83 Cb 1.71 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.70 1jtf h TYR 83 CO 0.00 0.98 -0.80 -0.91 -1.32 0.00 0.00 178.16 176.11 1jtf h ASN 84 N 0.85 0.02 1.07 -2.11 -0.26 0.04 -2.74 115.58 112.46 1jtf h ASN 84 Ca 0.14 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1jtf h ASN 84 Cb 0.62 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1jtf h ASN 84 CO 0.04 0.81 0.00 -0.07 -1.06 0.00 0.00 177.43 177.16 1jtf h LEU 85 N 0.01 0.00 0.00 1.61 3.38 -1.02 -3.47 115.31 115.83 1jtf h LEU 85 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jtf h LEU 85 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1jtf h LEU 85 CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1jtf n GLY 86 N 0.27 0.85 3.73 0.83 0.00 -0.70 -5.06 105.19 105.11 1jtf n GLY 86 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1jtf n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jtf s VAL 87 N -2.04 4.50 -0.03 1.61 1.01 -0.01 -5.01 120.40 120.43 1jtf s VAL 87 Ca 0.00 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 1jtf s VAL 87 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1jtf s VAL 87 CO 0.00 0.28 0.64 -0.63 0.00 0.00 0.00 175.10 175.39 1jtf s ILE 88 N 0.17 4.95 -0.09 2.22 -1.09 -1.26 -4.13 121.20 121.97 1jtf s ILE 88 Ca 0.48 1.33 -0.23 0.00 -2.23 0.00 0.00 60.65 60.00 1jtf s ILE 88 Cb -0.24 -3.98 0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1jtf s ILE 88 CO 0.30 0.35 0.55 -0.63 -1.23 0.00 0.00 174.94 174.28 1jtf s ILE 89 N 0.21 0.02 -0.05 2.92 1.01 -1.26 -0.42 121.20 123.62 1jtf s ILE 89 Ca 0.34 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1jtf s ILE 89 Cb -0.18 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1jtf s ILE 89 CO 0.18 -0.07 -0.19 -0.54 0.00 0.00 0.00 174.94 174.31 1jtf s LYS 90 N -0.76 2.46 -0.10 2.79 1.02 -1.01 -4.93 119.74 119.22 1jtf s LYS 90 Ca -0.08 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.12 1jtf s LYS 90 Cb -0.03 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1jtf s LYS 90 CO 0.06 0.54 -0.11 -1.58 -0.92 0.00 0.00 175.35 173.33 1jtf s TRP 91 N -0.53 2.82 -0.27 3.18 0.52 0.54 0.10 118.94 125.31 1jtf s TRP 91 Ca 0.07 -0.33 -0.00 0.00 0.02 0.00 0.00 56.10 55.86 1jtf s TRP 91 Cb -0.11 -1.76 0.08 0.00 -1.15 0.00 0.00 33.47 30.52 1jtf s TRP 91 CO 0.01 0.03 0.03 1.41 0.02 0.00 0.00 176.95 178.45 1jtf s MET 92 N -0.20 1.08 -0.26 4.98 1.75 0.14 -0.73 119.30 126.06 1jtf s MET 92 Ca 0.01 -1.03 -0.09 0.00 -1.25 0.00 0.00 55.69 53.34 1jtf s MET 92 Cb -0.13 -2.35 -0.04 0.00 2.84 0.00 0.00 34.83 35.15 1jtf s MET 92 CO 0.03 -0.80 0.12 -0.51 -0.65 0.00 0.00 175.02 173.21 1jtf s LEU 93 N 1.50 3.70 -0.08 4.11 1.43 0.10 -0.68 118.68 128.76 1jtf s LEU 93 Ca 0.03 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1jtf s LEU 93 Cb -0.18 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 1jtf s LEU 93 CO -0.14 -0.03 -0.23 -0.63 0.23 0.00 0.00 176.35 175.55 1jtf s ILE 94 N 1.63 1.93 0.01 -0.59 1.01 -0.18 0.01 121.20 125.02 1jtf s ILE 94 Ca 0.07 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 1jtf s ILE 94 Cb -0.15 -1.66 0.09 0.00 0.01 0.00 0.00 42.46 40.75 1jtf s ILE 94 CO 0.07 0.53 0.79 -0.62 0.00 0.00 0.00 174.94 175.71 1jtf s ASP 95 N 0.21 -0.48 0.27 3.58 2.15 -0.77 -1.28 116.67 120.36 1jtf s ASP 95 Ca -0.13 0.20 0.14 0.00 0.43 0.00 0.00 52.55 53.19 1jtf s ASP 95 Cb -0.16 0.46 0.17 0.00 -0.30 0.00 0.00 42.92 43.09 1jtf s ASP 95 CO 0.07 -0.67 1.49 1.23 -0.17 0.00 0.00 175.17 177.12 1jtf h GLY 96 N 2.28 0.00 -1.09 2.66 0.00 -1.85 0.12 103.07 105.19 1jtf h GLY 96 Ca -0.26 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.62 1jtf h GLY 96 CO 0.34 0.00 0.25 0.50 0.00 0.00 0.00 176.54 177.63 1jtf s ARG 97 N -3.10 1.98 0.17 4.80 0.52 -1.26 -4.71 118.95 117.35 1jtf s ARG 97 Ca 0.02 -0.33 -0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1jtf s ARG 97 Cb 0.09 -2.14 -0.06 0.00 0.52 0.00 0.00 34.95 33.36 1jtf s ARG 97 CO 0.75 -1.40 0.47 -1.01 0.02 0.00 0.00 175.30 174.13 1jtf s HIS 98 N -3.32 3.48 0.31 -0.53 3.76 -1.26 -4.83 115.29 112.90 1jtf s HIS 98 Ca 0.62 0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 56.21 1jtf s HIS 98 Cb -0.10 -2.16 -0.06 0.00 1.11 0.00 0.00 32.58 31.37 1jtf s HIS 98 CO 0.46 0.38 0.64 -1.01 -0.85 0.00 0.00 174.74 174.35 1jtf s HIS 99 N -1.67 3.45 0.10 1.40 0.09 -1.26 -4.29 115.29 113.11 1jtf s HIS 99 Ca 0.42 0.87 -0.33 0.00 -0.00 0.00 0.00 55.06 56.03 1jtf s HIS 99 Cb -0.12 -2.28 -0.12 0.00 -0.00 0.00 0.00 32.58 30.05 1jtf s HIS 99 CO 0.22 0.10 1.73 -3.47 -0.00 0.00 0.00 174.74 173.32 1jtf n ASP 100 N -0.81 3.54 -0.08 1.40 4.64 -0.52 -4.87 116.55 119.85 1jtf n ASP 100 Ca 0.01 1.03 0.26 0.00 -1.38 0.00 0.00 54.79 54.70 1jtf n ASP 100 Cb 0.53 -1.46 0.69 0.00 -1.04 0.00 0.00 41.12 39.84 1jtf n ASP 100 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1jtf h PRO 101 N 7.49 0.00 0.00 -0.67 0.11 -1.96 -0.90 132.00 136.08 1jtf h PRO 101 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jtf h PRO 101 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jtf h PRO 101 CO 0.92 0.00 0.03 0.44 -0.21 0.00 0.00 178.00 179.19 1jtf n ILE 102 N -3.78 1.48 0.08 4.15 -5.35 -1.26 -0.46 119.36 114.22 1jtf n ILE 102 Ca 0.15 0.61 -0.03 0.00 -0.27 0.00 0.00 62.75 63.21 1jtf n ILE 102 Cb 0.95 -1.61 -0.06 0.00 -1.74 0.00 0.00 39.64 37.18 1jtf n ILE 102 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1jtf h LEU 103 N 0.00 0.00-10.16 7.28 3.38 -1.52 -3.47 115.31 110.81 1jtf h LEU 103 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1jtf h LEU 103 Cb 0.07 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.03 1jtf h LEU 103 CO 0.00 0.75 0.02 0.20 0.09 0.00 0.00 178.44 179.50 1jtf s ASN 104 N -6.42 1.01 -0.42 -0.43 0.02 0.40 -3.81 114.94 105.28 1jtf s ASN 104 Ca 0.01 1.45 0.00 0.00 -1.02 0.00 0.00 52.86 53.31 1jtf s ASN 104 Cb 0.09 -2.24 0.00 0.00 0.02 0.00 0.00 41.25 39.11 1jtf s ASN 104 CO 0.79 -4.17 0.00 0.61 0.02 0.00 0.00 177.10 174.35 1jtf n GLY 105 N 0.63 0.38 3.59 0.66 0.00 -1.26 -4.96 105.19 104.22 1jtf n GLY 105 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1jtf n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jtf s LEU 106 N -0.97 3.89 0.40 0.99 1.43 -1.25 -5.00 118.68 118.17 1jtf s LEU 106 Ca 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1jtf s LEU 106 Cb 0.00 -2.05 0.84 0.00 0.03 0.00 0.00 46.19 45.01 1jtf s LEU 106 CO 0.00 0.03 2.01 0.03 0.23 0.00 0.00 176.35 178.64 1jtf h ARG 107 N 7.79 0.43 -0.00 1.70 3.08 -1.93 -2.86 114.38 122.59 1jtf h ARG 107 Ca -0.37 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1jtf h ARG 107 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1jtf h ARG 107 CO 0.61 0.36 -0.02 -0.40 -1.07 0.00 0.00 179.97 179.46 1jtf n ASP 108 N -4.41 0.28 -4.11 7.04 5.75 -1.26 -4.69 116.55 115.15 1jtf n ASP 108 Ca 0.01 -0.89 -0.29 0.00 -0.01 0.00 0.00 54.79 53.62 1jtf n ASP 108 Cb 0.14 -0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 40.01 1jtf n ASP 108 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1jtf s VAL 109 N -2.15 1.66 -0.15 2.12 -7.23 -1.08 -0.34 120.40 113.24 1jtf s VAL 109 Ca 0.41 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1jtf s VAL 109 Cb 0.21 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 1jtf s VAL 109 CO 0.39 0.47 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.62 1jtf s THR 110 N 0.74 2.74 0.09 5.32 2.01 0.09 -4.66 115.64 121.98 1jtf s THR 110 Ca -0.11 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1jtf s THR 110 Cb -0.16 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1jtf s THR 110 CO 0.02 0.52 0.33 -0.76 -0.69 0.00 0.00 174.62 174.03 1jtf s LEU 111 N 0.71 4.31 -0.06 4.42 1.43 -1.26 -0.72 118.68 127.51 1jtf s LEU 111 Ca -0.07 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1jtf s LEU 111 Cb -0.16 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 43.02 1jtf s LEU 111 CO 0.01 0.13 0.14 -0.69 0.23 0.00 0.00 176.35 176.17 1jtf s VAL 112 N -1.53 -0.04 -0.86 -1.59 1.01 0.10 -4.90 120.40 112.60 1jtf s VAL 112 Ca 0.36 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1jtf s VAL 112 Cb -0.13 -0.22 0.22 0.00 0.00 0.00 0.00 36.38 36.25 1jtf s VAL 112 CO 0.23 0.06 0.77 -0.89 0.00 0.00 0.00 175.10 175.26 1jtf s THR 113 N 0.96 4.95 -0.22 3.92 2.01 -1.25 -1.85 115.64 124.16 1jtf s THR 113 Ca -0.07 -3.12 -0.10 0.00 0.31 0.00 0.00 61.69 58.70 1jtf s THR 113 Cb -0.10 -4.07 0.08 0.00 0.01 0.00 0.00 72.50 68.43 1jtf s THR 113 CO -0.05 -1.04 0.52 -0.13 -0.69 0.00 0.00 174.62 173.23 1jtf s ARG 114 N -0.56 0.48 -0.28 4.92 1.81 0.41 -4.87 118.95 120.87 1jtf s ARG 114 Ca 0.23 1.05 -0.28 0.00 -1.72 0.00 0.00 55.73 55.01 1jtf s ARG 114 Cb -0.12 0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.62 1jtf s ARG 114 CO -0.08 -0.18 1.00 -0.06 -0.68 0.00 0.00 175.30 175.30 1jtf s PHE 115 N 1.97 3.24 0.30 -0.53 2.99 -1.26 -3.56 117.98 121.12 1jtf s PHE 115 Ca -0.07 1.24 -0.28 0.00 0.00 0.00 0.00 56.93 57.82 1jtf s PHE 115 Cb -0.09 -3.42 -0.09 0.00 0.00 0.00 0.00 43.02 39.42 1jtf s PHE 115 CO -0.15 -0.60 1.08 0.14 -0.00 0.00 0.00 175.22 175.68 1jtf s VAL 116 N 3.33 3.56 0.45 -0.44 -7.23 -1.26 -5.01 120.40 113.80 1jtf s VAL 116 Ca 0.42 1.49 0.03 0.00 -1.81 0.00 0.00 61.98 62.11 1jtf s VAL 116 Cb -0.14 -3.92 -0.02 0.00 0.56 0.00 0.00 36.38 32.86 1jtf s VAL 116 CO 0.11 0.29 0.06 1.51 -0.31 0.00 0.00 175.10 176.76 1jtf s ASP 117 N -1.03 3.49 0.26 4.85 3.84 -1.26 -5.01 116.67 121.81 1jtf s ASP 117 Ca 0.47 -1.63 -0.03 0.00 -0.00 0.00 0.00 52.55 51.36 1jtf s ASP 117 Cb -0.30 0.43 0.38 0.00 -1.38 0.00 0.00 42.92 42.05 1jtf s ASP 117 CO 0.38 -0.85 1.89 -0.08 -0.00 0.00 0.00 175.17 176.51 1jtf h GLU 118 N 1.59 1.18 -0.35 2.11 4.81 -1.98 -1.95 114.58 119.99 1jtf h GLU 118 Ca -0.40 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1jtf h GLU 118 Cb 1.29 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1jtf h GLU 118 CO 0.67 0.78 0.21 1.49 -0.73 0.00 0.00 179.01 181.43 1jtf h GLU 119 N 1.22 0.41 0.38 1.92 4.81 -2.01 -2.94 114.58 118.37 1jtf h GLU 119 Ca 0.42 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1jtf h GLU 119 Cb 0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1jtf h GLU 119 CO -0.15 0.27 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.28 1jtf h TYR 120 N 0.43 -0.52 -1.29 0.92 3.20 -1.83 -1.63 116.97 116.25 1jtf h TYR 120 Ca 0.14 -0.01 0.39 0.00 3.14 0.00 0.00 58.73 62.39 1jtf h TYR 120 Cb -0.00 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.35 1jtf h TYR 120 CO -0.07 -0.32 0.87 -0.07 -1.64 0.00 0.00 178.16 176.93 1jtf h LEU 121 N -0.54 0.22 -0.44 2.82 3.38 -1.22 0.26 115.31 119.80 1jtf h LEU 121 Ca -0.05 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1jtf h LEU 121 Cb 0.42 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jtf h LEU 121 CO 0.07 -0.05 -0.54 0.03 0.09 0.00 0.00 178.44 178.04 1jtf h ARG 122 N 0.14 0.67 -0.09 1.13 3.08 -1.13 -1.22 114.38 116.97 1jtf h ARG 122 Ca 0.72 -0.42 -0.16 0.00 0.07 0.00 0.00 59.98 60.19 1jtf h ARG 122 Cb 2.36 0.05 0.01 0.00 0.08 0.00 0.00 29.97 32.47 1jtf h ARG 122 CO -0.25 1.04 -0.55 0.66 -1.07 0.00 0.00 179.97 179.80 1jtf h SER 123 N 0.52 0.64 0.56 7.04 4.64 -0.31 -1.84 113.55 124.80 1jtf h SER 123 Ca 0.01 -0.66 -0.02 0.00 -0.47 0.00 0.00 61.79 60.65 1jtf h SER 123 Cb 1.11 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jtf h SER 123 CO 0.11 1.20 -0.09 0.16 -0.87 0.00 0.00 176.83 177.34 1jtf h ILE 124 N 0.13 0.34 -0.02 0.95 3.07 -1.16 0.13 117.51 120.94 1jtf h ILE 124 Ca -0.04 -0.54 -0.25 0.00 1.55 0.00 0.00 64.86 65.57 1jtf h ILE 124 Cb 1.20 1.40 0.02 0.00 -0.27 0.00 0.00 36.82 39.17 1jtf h ILE 124 CO 0.11 0.09 -0.97 0.50 -1.05 0.00 0.00 178.15 176.84 1jtf h LYS 125 N 0.00 0.69 -0.52 0.16 1.63 -1.10 -1.49 116.57 115.94 1jtf h LYS 125 Ca -0.00 -0.72 -0.10 0.00 -0.85 0.00 0.00 60.65 58.98 1jtf h LYS 125 Cb 0.39 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1jtf h LYS 125 CO 0.01 1.30 -0.06 0.87 -3.45 0.00 0.00 179.45 178.12 1jtf h LYS 126 N 0.37 0.96 0.00 1.90 1.57 -0.33 -2.82 116.57 118.22 1jtf h LYS 126 Ca -0.11 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.19 1jtf h LYS 126 Cb 1.62 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 1jtf h LYS 126 CO 0.19 1.01 -0.66 -0.56 -0.57 0.00 0.00 179.45 178.86 1jtf h GLN 127 N 0.83 0.00 -0.25 3.15 3.07 -0.85 -3.22 115.11 117.85 1jtf h GLN 127 Ca 0.14 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.69 1jtf h GLN 127 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1jtf h GLN 127 CO 0.04 0.66 -0.59 -0.07 0.09 0.00 0.00 178.83 178.96 1jtf h LEU 128 N 0.00 0.95 -8.92 0.06 4.07 -1.26 -3.46 115.31 106.75 1jtf h LEU 128 Ca -0.01 -0.56 -0.72 0.00 0.08 0.00 0.00 57.88 56.67 1jtf h LEU 128 Cb 1.23 -0.27 0.08 0.00 1.08 0.00 0.00 40.66 42.77 1jtf h LEU 128 CO 0.09 1.33 -0.23 1.57 -1.08 0.00 0.00 178.44 180.12 1jtf n HIS 129 N -4.02 0.08 -1.15 1.13 -0.00 -1.07 -2.02 115.22 108.17 1jtf n HIS 129 Ca -0.05 1.01 -0.28 0.00 0.46 0.00 0.00 57.72 58.86 1jtf n HIS 129 Cb 0.65 -2.01 0.11 0.00 -0.12 0.00 0.00 29.99 28.62 1jtf n HIS 129 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1jtf n PRO 130 N 1.24 2.36 -2.64 1.57 -0.04 -1.26 -5.05 135.00 131.18 1jtf n PRO 130 Ca 0.19 -2.85 -0.37 0.00 -0.04 0.00 0.00 63.50 60.43 1jtf n PRO 130 Cb 0.16 -2.12 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 1jtf n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jtf s SER 131 N -1.29 7.06 0.34 3.54 0.01 -0.86 -5.00 113.70 117.50 1jtf s SER 131 Ca 0.56 1.97 -0.28 0.00 1.31 0.00 0.00 55.95 59.50 1jtf s SER 131 Cb 0.45 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 64.00 1jtf s SER 131 CO 0.03 -0.27 1.21 -0.54 0.41 0.00 0.00 173.24 174.08 1jtf s LYS 132 N -2.22 4.33 -0.00 12.44 -0.14 -1.26 -4.87 119.74 128.01 1jtf s LYS 132 Ca 0.53 2.00 0.05 0.00 -1.36 0.00 0.00 55.97 57.19 1jtf s LYS 132 Cb -0.21 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 32.93 1jtf s LYS 132 CO 0.27 -0.13 -0.15 0.42 -0.76 0.00 0.00 175.35 175.00 1jtf s ILE 133 N -1.23 3.04 -0.13 2.17 1.01 -1.26 -0.50 121.20 124.30 1jtf s ILE 133 Ca 0.50 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1jtf s ILE 133 Cb -0.35 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 39.88 1jtf s ILE 133 CO 0.46 0.45 -0.19 -0.63 0.00 0.00 0.00 174.94 175.03 1jtf s ILE 134 N -0.86 1.85 -0.09 2.92 1.01 0.00 -0.34 121.20 125.71 1jtf s ILE 134 Ca 0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1jtf s ILE 134 Cb -0.11 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1jtf s ILE 134 CO 0.04 0.51 0.02 -0.22 0.00 0.00 0.00 174.94 175.29 1jtf s LEU 135 N 0.91 3.70 -0.04 2.97 2.96 -1.05 -0.19 118.68 127.94 1jtf s LEU 135 Ca -0.06 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1jtf s LEU 135 Cb -0.15 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1jtf s LEU 135 CO -0.02 0.38 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.75 1jtf s ILE 136 N -0.92 0.29 -0.03 6.68 1.01 0.14 -0.81 121.20 127.56 1jtf s ILE 136 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.88 1jtf s ILE 136 Cb -0.11 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1jtf s ILE 136 CO 0.03 0.19 -0.11 -0.55 0.00 0.00 0.00 174.94 174.50 1jtf s SER 137 N 1.25 1.43 -0.32 3.58 0.15 -0.91 0.13 113.70 119.02 1jtf s SER 137 Ca -0.06 -0.22 0.17 0.00 0.70 0.00 0.00 55.95 56.53 1jtf s SER 137 Cb -0.13 -0.35 0.45 0.00 -1.71 0.00 0.00 66.02 64.27 1jtf s SER 137 CO -0.02 0.09 1.29 -0.67 1.20 0.00 0.00 173.24 175.14 1jtf n ASP 138 N 3.19 -0.11 -4.80 5.45 2.03 0.12 -3.30 116.55 119.13 1jtf n ASP 138 Ca -0.18 -2.25 -0.34 0.00 0.52 0.00 0.00 54.79 52.54 1jtf n ASP 138 Cb 0.54 0.18 -0.04 0.00 -0.72 0.00 0.00 41.12 41.08 1jtf n ASP 138 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1jtf s VAL 139 N -1.64 3.87 -0.06 5.18 -7.23 -1.24 -4.65 120.40 114.64 1jtf s VAL 139 Ca 0.19 1.23 -0.07 0.00 -1.81 0.00 0.00 61.98 61.53 1jtf s VAL 139 Cb 0.40 -3.53 0.02 0.00 0.56 0.00 0.00 36.38 33.82 1jtf s VAL 139 CO -0.07 -0.19 0.18 -0.13 -0.31 0.00 0.00 175.10 174.58 1jtf s ARG 140 N -3.04 0.26 -0.02 4.82 0.52 -1.26 -5.03 118.95 115.20 1jtf s ARG 140 Ca 0.64 0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 56.00 1jtf s ARG 140 Cb -0.16 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.42 1jtf s ARG 140 CO 0.20 -0.04 -0.02 0.77 0.02 0.00 0.00 175.30 176.24 1jtf h SER 141 N 5.60 0.00 -2.38 0.23 0.02 -1.97 -3.53 113.55 111.52 1jtf h SER 141 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1jtf h SER 141 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1jtf h SER 141 CO 0.39 0.12 0.00 -0.81 -1.14 0.00 0.00 176.83 175.40 1jtf n PRO 148 N -2.63 0.00 -1.67 3.45 -0.04 -1.26 -5.10 135.00 127.75 1jtf n PRO 148 Ca -0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 1jtf n PRO 148 Cb 0.02 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.55 1jtf n PRO 148 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jtf s SER 149 N 0.00 4.74 0.46 3.54 1.04 -1.26 -4.76 113.70 117.47 1jtf s SER 149 Ca 0.00 2.22 0.14 0.00 0.48 0.00 0.00 55.95 58.79 1jtf s SER 149 Cb 0.00 -2.58 1.10 0.00 0.10 0.00 0.00 66.02 64.64 1jtf s SER 149 CO 0.00 -1.89 2.06 0.74 0.98 0.00 0.00 173.24 175.13 1jtf h THR 150 N 0.07 0.97 -0.45 2.02 2.02 -1.99 0.16 112.91 115.70 1jtf h THR 150 Ca -0.48 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1jtf h THR 150 Cb 1.28 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1jtf h THR 150 CO 0.52 0.05 0.24 0.00 0.37 0.00 0.00 175.52 176.70 1jtf h ALA 151 N 1.81 0.58 0.51 6.16 0.00 -1.92 0.55 119.26 126.95 1jtf h ALA 151 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jtf h ALA 151 Cb 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jtf h ALA 151 CO -0.03 0.12 -0.25 -0.44 0.00 0.00 0.00 179.25 178.65 1jtf h ASP 152 N 0.59 -0.58 -0.28 0.00 3.45 -1.17 -1.96 116.42 116.48 1jtf h ASP 152 Ca 0.16 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.68 1jtf h ASP 152 Cb 0.08 0.15 -0.08 0.00 -0.56 0.00 0.00 39.33 38.92 1jtf h ASP 152 CO -0.02 -0.39 -0.41 -0.07 -1.57 0.00 0.00 179.24 176.77 1jtf h LEU 153 N -0.72 -1.33 -0.53 1.55 3.38 -0.39 -0.89 115.31 116.38 1jtf h LEU 153 Ca -0.07 0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1jtf h LEU 153 Cb 0.54 0.57 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1jtf h LEU 153 CO 0.12 -0.39 0.11 -0.07 0.09 0.00 0.00 178.44 178.30 1jtf h LEU 154 N -0.39 0.00 -1.29 1.67 3.38 -0.88 0.15 115.31 117.95 1jtf h LEU 154 Ca 0.11 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1jtf h LEU 154 Cb 0.60 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1jtf h LEU 154 CO -0.49 0.02 0.51 -1.28 0.09 0.00 0.00 178.44 177.29 1jtf h SER 155 N 0.24 0.77 0.17 -0.43 0.87 -0.47 0.27 113.55 114.98 1jtf h SER 155 Ca 0.27 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1jtf h SER 155 Cb 0.37 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1jtf h SER 155 CO -0.35 0.52 -0.08 0.78 -0.53 0.00 0.00 176.83 177.17 1jtf h ASN 156 N 0.89 -0.19 -0.47 6.23 -0.26 0.28 -2.13 115.58 119.92 1jtf h ASN 156 Ca 0.32 -0.31 0.11 0.00 -0.56 0.00 0.00 56.30 55.86 1jtf h ASN 156 Cb 0.14 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1jtf h ASN 156 CO -0.10 0.25 0.33 1.88 -1.06 0.00 0.00 177.43 178.72 1jtf h TYR 157 N -0.67 0.18 0.09 1.19 0.05 0.09 -0.09 116.97 117.80 1jtf h TYR 157 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1jtf h TYR 157 Cb 0.49 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1jtf h TYR 157 CO 0.06 0.08 -0.04 0.00 -1.05 0.00 0.00 178.16 177.21 1jtf h ALA 158 N 1.76 -0.12 -0.80 3.88 0.00 -0.44 -2.22 119.26 121.32 1jtf h ALA 158 Ca 0.22 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1jtf h ALA 158 Cb 0.66 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1jtf h ALA 158 CO -0.03 -0.43 0.51 1.25 0.00 0.00 0.00 179.25 180.55 1jtf h LEU 159 N -0.41 0.83 -1.18 0.00 5.85 -0.40 -1.12 115.31 118.87 1jtf h LEU 159 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jtf h LEU 159 Cb 0.35 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1jtf h LEU 159 CO 0.02 0.57 0.51 1.56 -0.34 0.00 0.00 178.44 180.76 1jtf h GLN 160 N 0.98 1.06 -0.23 1.25 4.20 -1.02 -0.17 115.11 121.17 1jtf h GLN 160 Ca 0.32 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 1jtf h GLN 160 Cb 0.03 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1jtf h GLN 160 CO -0.12 0.72 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.60 1jtf h ASN 161 N 1.08 0.42 1.34 1.46 2.35 -0.60 -2.32 115.58 119.32 1jtf h ASN 161 Ca 0.29 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1jtf h ASN 161 Cb -0.09 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1jtf h ASN 161 CO -0.06 0.67 -0.11 0.58 -1.65 0.00 0.00 177.43 176.86 1jtf h VAL 162 N 0.38 0.24 0.18 2.81 2.07 -0.30 -2.13 116.25 119.50 1jtf h VAL 162 Ca 0.06 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1jtf h VAL 162 Cb 0.63 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1jtf h VAL 162 CO 0.05 0.11 -0.08 0.24 0.02 0.00 0.00 177.57 177.90 1jtf h MET 163 N 0.00 -0.23 -0.62 1.57 2.86 -0.53 -1.22 114.93 116.76 1jtf h MET 163 Ca -0.00 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1jtf h MET 163 Cb 0.81 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1jtf h MET 163 CO 0.01 0.13 0.16 0.82 1.06 0.00 0.00 176.91 179.09 1jtf h ILE 164 N -0.62 1.25 -0.20 -1.22 2.04 -1.44 0.50 117.51 117.82 1jtf h ILE 164 Ca -0.02 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1jtf h ILE 164 Cb 0.46 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1jtf h ILE 164 CO 0.04 0.34 -0.25 0.77 0.00 0.00 0.00 178.15 179.05 1jtf h SER 165 N 0.91 0.37 0.01 1.72 4.64 -1.36 0.93 113.55 120.78 1jtf h SER 165 Ca 0.20 -0.12 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 1jtf h SER 165 Cb 0.35 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 1jtf h SER 165 CO 0.00 0.63 -1.35 0.40 -0.87 0.00 0.00 176.83 175.64 1jtf h ILE 166 N 0.34 0.87 0.00 0.95 2.04 -1.09 -3.37 117.51 117.25 1jtf h ILE 166 Ca 0.05 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.67 1jtf h ILE 166 Cb 0.62 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1jtf h ILE 166 CO 0.04 0.37 -0.21 -0.07 0.00 0.00 0.00 178.15 178.28 1jtf h LEU 167 N -0.89 0.00 -3.60 1.44 4.07 -0.10 -3.47 115.31 112.76 1jtf h LEU 167 Ca -0.36 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.13 1jtf h LEU 167 Cb 1.39 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.14 1jtf h LEU 167 CO -0.18 0.21 -0.95 -3.20 -1.08 0.00 0.00 178.44 173.24 1jtf n ASN 168 N -3.54 -4.98 -4.78 -0.43 4.05 0.32 -4.85 115.26 101.04 1jtf n ASN 168 Ca -0.01 -1.00 -0.29 0.00 0.45 0.00 0.00 54.58 53.73 1jtf n ASN 168 Cb 0.36 -2.26 0.12 0.00 1.23 0.00 0.00 39.78 39.23 1jtf n ASN 168 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1jtf s PRO 169 N -5.68 1.53 0.03 1.20 0.04 -1.26 -4.73 135.00 126.13 1jtf s PRO 169 Ca 0.22 0.50 0.22 0.00 0.04 0.00 0.00 61.00 61.98 1jtf s PRO 169 Cb -0.11 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1jtf s PRO 169 CO 0.90 -1.97 0.88 1.33 0.04 0.00 0.00 177.00 178.18 1jtf n VAL 170 N -3.65 0.11 -3.50 -0.36 0.24 0.54 -4.69 118.33 107.03 1jtf n VAL 170 Ca 0.07 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 1jtf n VAL 170 Cb 0.58 0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1jtf n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jtf s ALA 171 N -3.24 -1.65 0.11 2.33 0.00 -1.25 -1.43 121.76 116.63 1jtf s ALA 171 Ca 0.02 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 1jtf s ALA 171 Cb 0.14 0.72 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1jtf s ALA 171 CO 0.84 -0.78 0.40 -1.54 0.00 0.00 0.00 175.76 174.68 1jtf s SER 172 N -2.68 -0.23 -0.10 0.00 1.04 0.15 -2.53 113.70 109.35 1jtf s SER 172 Ca 0.04 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1jtf s SER 172 Cb -0.01 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1jtf s SER 172 CO -0.09 -0.82 0.04 -0.55 0.98 0.00 0.00 173.24 172.80 1jtf s SER 173 N -2.66 1.76 0.10 7.02 0.15 0.01 -0.77 113.70 119.31 1jtf s SER 173 Ca 0.02 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.53 1jtf s SER 173 Cb 0.01 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1jtf s SER 173 CO -0.10 -0.25 -0.21 -0.76 1.20 0.00 0.00 173.24 173.11 1jtf s LEU 174 N 2.05 2.52 -0.13 3.45 1.43 0.94 -2.14 118.68 126.81 1jtf s LEU 174 Ca 0.04 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1jtf s LEU 174 Cb -0.13 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1jtf s LEU 174 CO -0.06 0.20 1.37 -0.75 0.23 0.00 0.00 176.35 177.35 1jtf s LYS 175 N -1.91 4.22 -0.18 1.70 2.20 -1.21 0.05 119.74 124.62 1jtf s LYS 175 Ca 0.16 1.82 -0.01 0.00 -0.36 0.00 0.00 55.97 57.57 1jtf s LYS 175 Cb -0.10 -3.81 0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1jtf s LYS 175 CO 0.07 -0.73 -0.01 -0.46 -0.36 0.00 0.00 175.35 173.86 1jtf s TRP 176 N 3.58 1.44 -0.10 4.03 -0.00 -0.61 -4.88 118.94 122.39 1jtf s TRP 176 Ca 0.60 -1.00 -0.02 0.00 -0.00 0.00 0.00 56.10 55.68 1jtf s TRP 176 Cb -0.25 -1.19 0.04 0.00 -0.00 0.00 0.00 33.47 32.07 1jtf s TRP 176 CO 0.19 -0.61 0.02 0.50 -0.00 0.00 0.00 176.95 177.05 1jtf s ARG 177 N 1.72 0.54 0.51 5.86 3.52 -1.26 -0.59 118.95 129.26 1jtf s ARG 177 Ca -0.00 -0.01 -0.21 0.00 -0.13 0.00 0.00 55.73 55.38 1jtf s ARG 177 Cb -0.16 -1.25 -0.06 0.00 -1.56 0.00 0.00 34.95 31.91 1jtf s ARG 177 CO -0.07 -0.40 1.20 0.00 -0.81 0.00 0.00 175.30 175.22 1jtf s PRO 179 N -2.94 -0.22 -0.06 0.00 0.02 -1.26 -4.99 135.00 125.55 1jtf s PRO 179 Ca 0.69 0.09 -0.14 0.00 0.02 0.00 0.00 61.00 61.65 1jtf s PRO 179 Cb -0.30 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1jtf s PRO 179 CO 0.35 -3.07 0.37 -1.58 -0.33 0.00 0.00 177.00 172.74 1jtf s TRP 180 N -3.15 3.63 0.31 6.54 0.23 -1.26 -4.83 118.94 120.41 1jtf s TRP 180 Ca 0.69 0.86 0.08 0.00 -2.03 0.00 0.00 56.10 55.70 1jtf s TRP 180 Cb -0.12 -2.30 0.83 0.00 0.03 0.00 0.00 33.47 31.90 1jtf s TRP 180 CO 0.56 0.51 1.74 -1.00 0.96 0.00 0.00 176.95 179.72 1jtf h PRO 181 N 5.40 0.62 0.00 4.98 0.13 -1.87 0.63 132.00 141.89 1jtf h PRO 181 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1jtf h PRO 181 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1jtf h PRO 181 CO 0.66 0.41 0.00 -0.40 -0.23 0.00 0.00 178.00 178.44 1jtf n ASP 182 N -4.85 0.00 -1.65 1.44 5.75 -1.26 -2.19 116.55 113.80 1jtf n ASP 182 Ca 0.25 -0.89 0.01 0.00 -0.01 0.00 0.00 54.79 54.15 1jtf n ASP 182 Cb 0.68 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.84 1jtf n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jtf n GLN 183 N -0.88 1.12 -2.12 0.11 6.02 0.21 -5.09 117.38 116.75 1jtf n GLN 183 Ca 0.13 -2.85 -0.34 0.00 -0.01 0.00 0.00 57.00 53.93 1jtf n GLN 183 Cb 0.06 -0.95 0.01 0.00 1.02 0.00 0.00 30.24 30.38 1jtf n GLN 183 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1jtf s TRP 184 N -1.93 2.70 0.00 1.08 -0.11 -0.75 -4.56 118.94 115.37 1jtf s TRP 184 Ca 0.35 1.55 0.00 0.00 1.22 0.00 0.00 56.10 59.22 1jtf s TRP 184 Cb 0.37 -3.22 0.00 0.00 -1.50 0.00 0.00 33.47 29.12 1jtf s TRP 184 CO -0.10 -1.52 0.00 -0.89 -4.62 0.00 0.00 176.95 169.82 1jtf n ILE 185 N -1.65 0.00 -3.58 5.86 5.41 -1.26 -5.10 119.36 119.05 1jtf n ILE 185 Ca 0.11 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.76 1jtf n ILE 185 Cb 0.51 -0.75 -0.05 0.00 -0.71 0.00 0.00 39.64 38.64 1jtf n ILE 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1jtf s LYS 186 N -1.84 0.57 0.20 0.38 -2.85 -1.26 -5.14 119.74 109.80 1jtf s LYS 186 Ca 0.00 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 1jtf s LYS 186 Cb 0.00 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 1jtf s LYS 186 CO 0.00 -0.18 1.31 -0.51 0.10 0.00 0.00 175.35 176.07 1jtf s ASP 187 N -1.21 6.89 0.23 0.03 -0.00 -1.26 -4.96 116.67 116.38 1jtf s ASP 187 Ca -0.00 2.41 0.01 0.00 -0.00 0.00 0.00 52.55 54.97 1jtf s ASP 187 Cb -0.01 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1jtf s ASP 187 CO 0.00 -0.53 0.15 0.72 -0.00 0.00 0.00 175.17 175.51 1jtf s PHE 188 N 0.10 1.32 -0.02 4.23 -0.12 -0.66 -4.91 117.98 117.92 1jtf s PHE 188 Ca 0.57 -1.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.06 1jtf s PHE 188 Cb -0.37 -0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 41.35 1jtf s PHE 188 CO 0.38 -0.64 -0.06 0.71 -0.05 0.00 0.00 175.22 175.56 1jtf s TYR 189 N -3.97 2.92 0.22 3.49 2.02 -1.26 0.13 117.35 120.90 1jtf s TYR 189 Ca 0.39 -0.01 0.08 0.00 -0.37 0.00 0.00 57.07 57.16 1jtf s TYR 189 Cb 0.06 -1.64 -0.05 0.00 -0.40 0.00 0.00 41.96 39.93 1jtf s TYR 189 CO 0.15 0.37 -0.13 0.96 -1.57 0.00 0.00 175.55 175.33 1jtf s ILE 190 N -0.95 1.73 0.50 2.71 -4.36 -0.02 -4.90 121.20 115.90 1jtf s ILE 190 Ca 0.16 -2.20 -0.20 0.00 -0.26 0.00 0.00 60.65 58.15 1jtf s ILE 190 Cb -0.11 -2.13 -0.08 0.00 1.25 0.00 0.00 42.46 41.39 1jtf s ILE 190 CO 0.06 -0.53 1.04 -2.84 0.24 0.00 0.00 174.94 172.91 1jtf s PRO 191 N -3.66 3.74 0.23 0.37 0.02 -1.26 -0.76 135.00 133.68 1jtf s PRO 191 Ca 0.24 1.36 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 1jtf s PRO 191 Cb 0.00 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1jtf s PRO 191 CO 0.08 -0.48 1.22 -1.58 -0.33 0.00 0.00 177.00 175.90 1jtf s HIS 192 N -2.01 3.37 0.06 6.54 2.46 -0.19 -4.77 115.29 120.76 1jtf s HIS 192 Ca 0.67 1.44 -0.26 0.00 0.47 0.00 0.00 55.06 57.38 1jtf s HIS 192 Cb -0.17 -3.47 0.09 0.00 -0.13 0.00 0.00 32.58 28.90 1jtf s HIS 192 CO 0.22 -1.30 1.18 0.20 -2.47 0.00 0.00 174.74 172.56 1jtf s GLY 193 N -0.15 -0.12 0.09 1.59 0.00 -1.26 -4.69 107.32 102.78 1jtf s GLY 193 Ca 0.51 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 45.05 1jtf s GLY 193 CO 0.40 2.82 0.79 -1.31 0.00 0.00 0.00 173.10 175.80 1jtf s ASN 194 N -3.41 7.30 -1.02 1.64 -0.87 -0.14 -4.82 114.94 113.63 1jtf s ASN 194 Ca 0.22 1.55 -0.21 0.00 -1.57 0.00 0.00 52.86 52.85 1jtf s ASN 194 Cb -0.00 -2.49 0.08 0.00 -0.02 0.00 0.00 41.25 38.82 1jtf s ASN 194 CO 0.01 0.07 1.36 -0.54 -2.57 0.00 0.00 177.10 175.43 1jtf s LYS 195 N -0.40 3.65 -0.16 -0.60 -0.14 -1.26 -2.16 119.74 118.66 1jtf s LYS 195 Ca 0.39 -1.48 -0.29 0.00 -1.36 0.00 0.00 55.97 53.23 1jtf s LYS 195 Cb -0.22 -5.21 -0.01 0.00 -1.68 0.00 0.00 37.83 30.72 1jtf s LYS 195 CO 0.25 -2.04 1.16 1.41 -0.76 0.00 0.00 175.35 175.36 1jtf s MET 196 N 3.98 4.28 0.17 1.68 1.75 -0.50 -1.31 119.30 129.34 1jtf s MET 196 Ca 0.42 1.54 -0.30 0.00 -1.25 0.00 0.00 55.69 56.10 1jtf s MET 196 Cb -0.01 -3.67 -0.07 0.00 2.84 0.00 0.00 34.83 33.91 1jtf s MET 196 CO -0.08 -0.61 1.10 -0.51 -0.65 0.00 0.00 175.02 174.27 1jtf s LEU 197 N 3.08 4.49 -0.39 4.11 1.02 -0.31 -1.15 118.68 129.53 1jtf s LEU 197 Ca 0.51 2.07 -0.13 0.00 0.02 0.00 0.00 54.13 56.60 1jtf s LEU 197 Cb -0.20 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.43 1jtf s LEU 197 CO 0.13 -0.22 0.26 -1.10 0.02 0.00 0.00 176.35 175.44 1jtf s GLN 198 N -0.32 3.01 0.86 1.70 -0.21 -1.26 -4.95 119.66 118.49 1jtf s GLN 198 Ca 0.49 -0.98 -0.11 0.00 0.02 0.00 0.00 55.36 54.79 1jtf s GLN 198 Cb -0.29 -3.86 0.11 0.00 1.00 0.00 0.00 33.01 29.97 1jtf s GLN 198 CO 0.34 -0.68 1.09 -1.25 -2.12 0.00 0.00 175.29 172.68 1jtf s PRO 199 N 1.64 1.58 -2.03 2.91 0.04 -1.26 -3.24 135.00 134.64 1jtf s PRO 199 Ca 0.04 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1jtf s PRO 199 Cb -0.19 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jtf s PRO 199 CO 0.09 -2.04 0.00 1.19 0.04 0.00 0.00 177.00 176.28 1jtf n PHE 200 N -3.76 -0.36 -2.56 0.56 3.01 -1.26 -4.55 117.46 108.54 1jtf n PHE 200 Ca 0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.23 1jtf n PHE 200 Cb 0.55 -3.59 -0.02 0.00 -0.01 0.00 0.00 39.48 36.40 1jtf n PHE 200 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jtf s ALA 201 N -2.83 3.26 0.29 4.37 0.00 -1.20 -4.39 121.76 121.27 1jtf s ALA 201 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.52 1jtf s ALA 201 Cb 0.00 -2.82 -0.14 0.00 0.00 0.00 0.00 23.12 20.15 1jtf s ALA 201 CO 0.00 -0.23 0.95 -2.30 0.00 0.00 0.00 175.76 174.18 1jtf n PRO 202 N -1.77 1.21 -0.15 0.00 -0.02 -1.26 -4.79 135.00 128.22 1jtf n PRO 202 Ca 0.03 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1jtf n PRO 202 Cb 0.54 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1jtf n PRO 202 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jtf n SER 203 N 1.25 -0.22 -1.07 2.55 7.64 0.02 0.04 113.62 123.83 1jtf n SER 203 Ca 0.10 0.67 0.02 0.00 1.01 0.00 0.00 58.87 60.67 1jtf n SER 203 Cb 0.32 -0.17 0.23 0.00 -1.01 0.00 0.00 64.21 63.58 1jtf n SER 203 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1jtf n TYR 204 N -4.59 1.12 -1.89 1.43 4.01 -1.26 -4.74 117.16 111.25 1jtf n TYR 204 Ca 0.05 -1.21 -0.41 0.00 -0.16 0.00 0.00 57.90 56.16 1jtf n TYR 204 Cb 0.17 -0.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 1jtf n TYR 204 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jtf s SER 205 N -2.13 6.49 0.00 7.72 0.15 0.11 -4.90 113.70 121.13 1jtf s SER 205 Ca 0.44 2.87 0.16 0.00 0.70 0.00 0.00 55.95 60.12 1jtf s SER 205 Cb 0.37 -2.64 0.38 0.00 -1.71 0.00 0.00 66.02 62.42 1jtf s SER 205 CO 0.05 -0.80 1.29 0.00 1.20 0.00 0.00 173.24 174.99 1jtf n ALA 206 N 1.55 2.31 -1.90 5.45 0.00 -1.26 -4.92 120.51 121.73 1jtf n ALA 206 Ca 0.05 -1.08 -0.37 0.00 0.00 0.00 0.00 53.44 52.04 1jtf n ALA 206 Cb 0.39 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1jtf n ALA 206 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jtf s GLU 207 N -1.08 4.45 0.06 0.00 2.12 -1.26 -4.54 118.70 118.45 1jtf s GLU 207 Ca 0.31 1.16 0.01 0.00 0.36 0.00 0.00 54.97 56.80 1jtf s GLU 207 Cb 0.17 -2.81 -0.00 0.00 0.26 0.00 0.00 34.13 31.75 1jtf s GLU 207 CO 0.23 0.31 0.07 0.00 -0.54 0.00 0.00 175.26 175.33 1jtf n MET 208 N 0.58 0.10 -4.40 4.30 0.00 0.25 -4.58 117.12 113.36 1jtf n MET 208 Ca 0.01 -0.56 -0.29 0.00 0.00 0.00 0.00 57.70 56.86 1jtf n MET 208 Cb 0.51 0.49 -0.17 0.00 0.00 0.00 0.00 33.22 34.05 1jtf n MET 208 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1jtf s ARG 209 N -2.20 2.32 -0.39 3.17 1.81 -0.30 -1.57 118.95 121.80 1jtf s ARG 209 Ca 0.06 -0.59 -0.24 0.00 -1.72 0.00 0.00 55.73 53.24 1jtf s ARG 209 Cb 0.00 -1.99 0.01 0.00 -0.45 0.00 0.00 34.95 32.53 1jtf s ARG 209 CO 0.04 -0.09 0.84 -1.17 -0.68 0.00 0.00 175.30 174.24 1jtf s LEU 210 N 1.06 4.09 -0.23 2.53 2.96 0.11 -1.41 118.68 127.78 1jtf s LEU 210 Ca -0.04 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.15 1jtf s LEU 210 Cb -0.15 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 1jtf s LEU 210 CO -0.03 -0.82 0.02 -0.76 -1.32 0.00 0.00 176.35 173.44 1jtf s LEU 211 N 3.30 3.24 0.04 -0.68 1.43 -0.92 -0.04 118.68 125.05 1jtf s LEU 211 Ca 0.34 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1jtf s LEU 211 Cb -0.12 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1jtf s LEU 211 CO 0.19 -0.02 -0.12 -0.44 0.23 0.00 0.00 176.35 176.19 1jtf s SER 212 N 1.49 1.41 -0.17 2.29 0.01 0.05 -0.96 113.70 117.82 1jtf s SER 212 Ca 0.06 -0.44 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 1jtf s SER 212 Cb -0.15 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1jtf s SER 212 CO 0.01 -0.01 -0.15 -0.63 0.41 0.00 0.00 173.24 172.87 1jtf s ILE 213 N -0.88 2.57 -0.45 1.44 1.01 -1.26 0.30 121.20 123.93 1jtf s ILE 213 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.67 1jtf s ILE 213 Cb -0.08 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.33 1jtf s ILE 213 CO 0.01 0.51 0.56 -0.31 0.00 0.00 0.00 174.94 175.71 1jtf s TYR 214 N 1.05 3.10 0.05 3.97 2.02 -0.52 -4.95 117.35 122.07 1jtf s TYR 214 Ca -0.01 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1jtf s TYR 214 Cb -0.15 -3.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.15 1jtf s TYR 214 CO -0.04 -0.84 0.25 0.99 -1.57 0.00 0.00 175.55 174.33 1jtf s THR 215 N 2.52 5.34 0.00 -0.71 2.01 -1.26 -4.82 115.64 118.72 1jtf s THR 215 Ca 0.17 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1jtf s THR 215 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1jtf s THR 215 CO 0.15 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1jtf n GLY 216 N 0.56 0.95 0.31 4.40 0.00 -1.26 -3.80 105.19 106.35 1jtf n GLY 216 Ca -0.07 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.35 1jtf n GLY 216 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jtf n GLU 217 N 0.00 2.33 -3.02 1.61 0.28 -1.26 -5.03 120.64 115.56 1jtf n GLU 217 Ca 0.00 -2.26 -0.26 0.00 -0.16 0.00 0.00 57.16 54.48 1jtf n GLU 217 Cb 0.00 -1.40 -0.01 0.00 1.43 0.00 0.00 31.44 31.46 1jtf n GLU 217 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1jtf s ASN 218 N -1.89 6.30 -0.25 -1.84 -0.87 -1.25 -5.09 114.94 110.05 1jtf s ASN 218 Ca 0.24 0.72 -0.04 0.00 -1.57 0.00 0.00 52.86 52.21 1jtf s ASN 218 Cb 0.19 -2.15 0.10 0.00 -0.02 0.00 0.00 41.25 39.37 1jtf s ASN 218 CO 0.05 -0.42 0.16 -0.32 -2.57 0.00 0.00 177.10 174.00 1jtf s MET 219 N -4.43 0.19 -0.16 -0.60 1.75 -1.26 -4.77 119.30 110.02 1jtf s MET 219 Ca 0.44 -0.28 -0.20 0.00 -1.25 0.00 0.00 55.69 54.40 1jtf s MET 219 Cb -0.10 -1.22 -0.03 0.00 2.84 0.00 0.00 34.83 36.32 1jtf s MET 219 CO 0.39 -0.91 0.59 0.50 -0.65 0.00 0.00 175.02 174.95 1jtf s ARG 220 N 2.18 4.27 0.51 4.11 3.52 -1.26 -5.05 118.95 127.24 1jtf s ARG 220 Ca 0.07 0.60 0.06 0.00 -0.13 0.00 0.00 55.73 56.33 1jtf s ARG 220 Cb -0.16 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1jtf s ARG 220 CO -0.27 -0.09 0.35 -0.51 -0.81 0.00 0.00 175.30 173.96 1jtf s LEU 221 N 1.41 2.79 -0.17 -0.88 1.43 -1.26 -1.02 118.68 120.98 1jtf s LEU 221 Ca 0.29 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 1jtf s LEU 221 Cb -0.16 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.84 1jtf s LEU 221 CO 0.12 -0.98 0.43 0.42 0.23 0.00 0.00 176.35 176.57 1jtf s THR 222 N -2.73 -0.02 0.51 5.49 -4.23 0.06 -4.64 115.64 110.10 1jtf s THR 222 Ca 0.34 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.71 1jtf s THR 222 Cb -0.01 -0.63 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 1jtf s THR 222 CO 0.21 0.02 1.13 -0.60 -0.54 0.00 0.00 174.62 174.84 1jtf s ARG 223 N 1.06 3.51 -0.11 3.99 3.52 -1.26 -0.84 118.95 128.82 1jtf s ARG 223 Ca -0.07 1.62 -0.00 0.00 -0.13 0.00 0.00 55.73 57.15 1jtf s ARG 223 Cb -0.07 -2.12 0.02 0.00 -1.56 0.00 0.00 34.95 31.23 1jtf s ARG 223 CO -0.09 -0.72 -0.08 0.54 -0.81 0.00 0.00 175.30 174.14 1jtf s VAL 224 N -1.74 1.03 0.31 7.11 0.11 0.35 -4.90 120.40 122.68 1jtf s VAL 224 Ca 0.70 -0.29 0.09 0.00 -2.93 0.00 0.00 61.98 59.55 1jtf s VAL 224 Cb -0.24 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.51 1jtf s VAL 224 CO 0.28 0.37 0.03 0.42 -3.33 0.00 0.00 175.10 172.87 1jtf s THR 225 N 1.69 3.02 0.38 5.04 -4.23 -1.26 -1.65 115.64 118.63 1jtf s THR 225 Ca 0.05 -1.90 0.07 0.00 -1.18 0.00 0.00 61.69 58.72 1jtf s THR 225 Cb -0.13 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.17 1jtf s THR 225 CO -0.08 -0.27 1.99 0.50 -0.54 0.00 0.00 174.62 176.22 1jtf h LYS 226 N 1.80 0.65 -0.80 3.99 3.64 -1.97 0.28 116.57 124.17 1jtf h LYS 226 Ca -0.43 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1jtf h LYS 226 Cb 1.25 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1jtf h LYS 226 CO 0.63 0.43 0.49 0.66 -2.27 0.00 0.00 179.45 179.40 1jtf h SER 227 N 0.67 0.94 -0.24 4.20 4.64 -1.99 0.11 113.55 121.88 1jtf h SER 227 Ca 0.26 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1jtf h SER 227 Cb 0.17 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1jtf h SER 227 CO -0.07 0.71 0.10 0.44 -0.87 0.00 0.00 176.83 177.14 1jtf h ASP 228 N 1.09 0.33 -0.59 4.97 3.45 -0.91 -1.71 116.42 123.06 1jtf h ASP 228 Ca 0.29 -0.15 0.08 0.00 0.43 0.00 0.00 57.03 57.68 1jtf h ASP 228 Cb -0.07 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.58 1jtf h ASP 228 CO -0.06 0.39 0.39 0.00 -1.57 0.00 0.00 179.24 178.40 1jtf h ALA 229 N 0.95 1.95 -0.18 3.45 0.00 0.25 0.12 119.26 125.80 1jtf h ALA 229 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jtf h ALA 229 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jtf h ALA 229 CO -0.01 -0.07 -0.14 0.28 0.00 0.00 0.00 179.25 179.32 1jtf h VAL 230 N 0.46 1.33 -0.27 0.00 2.07 -0.45 -2.29 116.25 117.10 1jtf h VAL 230 Ca 0.27 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1jtf h VAL 230 Cb 0.45 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1jtf h VAL 230 CO -0.08 0.38 0.16 -1.13 0.02 0.00 0.00 177.57 176.92 1jtf h ASN 231 N 0.08 0.33 -0.67 0.57 -0.73 -0.24 -1.62 115.58 113.29 1jtf h ASN 231 Ca 0.03 -0.05 0.09 0.00 1.87 0.00 0.00 56.30 58.24 1jtf h ASN 231 Cb 0.65 -0.08 -0.07 0.00 0.27 0.00 0.00 38.32 39.09 1jtf h ASN 231 CO 0.04 0.28 0.31 1.88 -0.37 0.00 0.00 177.43 179.57 1jtf h TYR 232 N 0.34 0.55 0.08 0.67 0.99 -0.86 -0.46 116.97 118.28 1jtf h TYR 232 Ca 0.10 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1jtf h TYR 232 Cb 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.60 1jtf h TYR 232 CO -0.04 0.19 -0.04 1.49 -0.00 0.00 0.00 178.16 179.76 1jtf h GLU 233 N 0.53 -0.10 -0.41 4.88 4.81 -1.22 -2.14 114.58 120.94 1jtf h GLU 233 Ca 0.33 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1jtf h GLU 233 Cb 0.36 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1jtf h GLU 233 CO -0.28 -0.00 -0.08 0.87 -0.73 0.00 0.00 179.01 178.80 1jtf h LYS 234 N -0.17 0.78 -0.41 1.92 1.57 -0.80 -1.59 116.57 117.86 1jtf h LYS 234 Ca -0.01 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 1jtf h LYS 234 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1jtf h LYS 234 CO 0.02 0.90 -0.14 0.87 -0.57 0.00 0.00 179.45 180.52 1jtf h LYS 235 N 0.59 0.82 -0.12 3.15 1.79 -1.16 -1.62 116.57 120.03 1jtf h LYS 235 Ca 0.11 -0.33 -0.09 0.00 -2.18 0.00 0.00 60.65 58.16 1jtf h LYS 235 Cb 0.60 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1jtf h LYS 235 CO 0.04 0.96 -0.31 0.52 -1.08 0.00 0.00 179.45 179.58 1jtf h MET 236 N 0.64 0.23 -0.05 3.15 2.86 -1.37 -1.43 114.93 118.96 1jtf h MET 236 Ca 0.10 -0.09 -0.22 0.00 -2.06 0.00 0.00 59.70 57.43 1jtf h MET 236 Cb 0.68 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1jtf h MET 236 CO 0.05 0.52 -0.87 -0.92 1.06 0.00 0.00 176.91 176.75 1jtf h TYR 237 N 0.20 0.74 -0.27 -0.22 5.03 -1.26 -1.34 116.97 119.85 1jtf h TYR 237 Ca 0.03 -0.37 -0.06 0.00 2.58 0.00 0.00 58.73 60.91 1jtf h TYR 237 Cb 0.66 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1jtf h TYR 237 CO 0.01 1.18 -0.07 -0.92 -1.32 0.00 0.00 178.16 177.03 1jtf h TYR 238 N 0.32 0.59 0.34 -3.82 5.03 -1.25 -1.20 116.97 116.98 1jtf h TYR 238 Ca -0.07 -0.13 -0.00 0.00 2.58 0.00 0.00 58.73 61.11 1jtf h TYR 238 Cb 1.50 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.61 1jtf h TYR 238 CO 0.07 0.74 -0.33 1.25 -1.32 0.00 0.00 178.16 178.57 1jtf h LEU 239 N 0.27 -0.88 -0.06 2.82 5.85 -1.26 0.29 115.31 122.35 1jtf h LEU 239 Ca 0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jtf h LEU 239 Cb 0.55 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1jtf h LEU 239 CO 0.03 -0.47 -0.03 0.78 -0.34 0.00 0.00 178.44 178.41 1jtf h ASN 240 N -0.69 -0.11 0.13 1.25 2.35 -1.28 0.18 115.58 117.41 1jtf h ASN 240 Ca -0.02 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1jtf h ASN 240 Cb 0.62 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1jtf h ASN 240 CO -0.06 -0.05 -0.06 0.50 -1.65 0.00 0.00 177.43 176.11 1jtf h LYS 241 N -0.04 -0.17 0.00 0.81 1.63 -1.22 -3.39 116.57 114.20 1jtf h LYS 241 Ca 0.03 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1jtf h LYS 241 Cb 0.09 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1jtf h LYS 241 CO -0.08 0.30 -0.37 0.82 -3.45 0.00 0.00 179.45 176.68 1jtf h ILE 242 N -0.80 0.00 0.31 2.00 1.08 -0.48 -3.39 117.51 116.23 1jtf h ILE 242 Ca -0.02 -0.82 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 1jtf h ILE 242 Cb 0.55 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1jtf h ILE 242 CO 0.03 0.00 -0.21 0.58 -0.69 0.00 0.00 178.15 177.86 1jtf h VAL 243 N -0.82 0.00 -0.26 1.67 2.07 -0.69 -3.06 116.25 115.15 1jtf h VAL 243 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1jtf h VAL 243 Cb 0.37 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1jtf h VAL 243 CO 0.00 0.00 0.52 0.03 0.02 0.00 0.00 177.57 178.14 1jtf h ARG 244 N -0.49 0.00 -0.77 1.57 3.08 -0.91 0.83 114.38 117.68 1jtf h ARG 244 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1jtf h ARG 244 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1jtf h ARG 244 CO 0.03 0.00 0.05 0.09 -1.07 0.00 0.00 179.97 179.07 1jtf n ASN 245 N -3.22 3.87 -4.82 7.04 3.02 -1.16 -4.31 115.26 115.68 1jtf n ASN 245 Ca 0.04 -2.62 -0.38 0.00 -0.03 0.00 0.00 54.58 51.59 1jtf n ASN 245 Cb 0.64 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 1jtf n ASN 245 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jtf s LYS 246 N -2.08 3.92 -0.32 3.52 -0.14 0.29 -4.79 119.74 120.14 1jtf s LYS 246 Ca 0.34 0.33 -0.09 0.00 -1.36 0.00 0.00 55.97 55.19 1jtf s LYS 246 Cb 0.26 -3.25 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1jtf s LYS 246 CO 0.09 0.63 0.13 0.08 -0.76 0.00 0.00 175.35 175.52 1jtf s VAL 247 N -0.83 4.32 -1.28 3.17 1.01 -0.92 -0.38 120.40 125.49 1jtf s VAL 247 Ca 0.22 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1jtf s VAL 247 Cb -0.16 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1jtf s VAL 247 CO 0.11 0.01 1.90 0.52 0.00 0.00 0.00 175.10 177.64 1jtf n VAL 248 N 4.93 3.36 0.25 2.92 0.31 -0.45 -0.44 118.33 129.21 1jtf n VAL 248 Ca -0.14 -3.34 0.13 0.00 -0.01 0.00 0.00 64.34 60.98 1jtf n VAL 248 Cb 0.48 -2.38 0.68 0.00 -0.91 0.00 0.00 33.84 31.71 1jtf n VAL 248 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1jtf h VAL 249 N 5.21 0.00 -0.40 2.52 -1.51 -0.64 0.87 116.25 122.31 1jtf h VAL 249 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1jtf h VAL 249 Cb 0.81 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1jtf h VAL 249 CO 1.56 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 177.44 1jtf n ASN 250 N -2.53 2.79 -4.45 4.19 2.04 -1.25 -4.76 115.26 111.29 1jtf n ASN 250 Ca -0.02 -1.92 -0.44 0.00 -0.44 0.00 0.00 54.58 51.76 1jtf n ASN 250 Cb 0.26 -0.26 -0.06 0.00 -2.53 0.00 0.00 39.78 37.19 1jtf n ASN 250 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1jtf s PHE 251 N -1.48 3.06 -0.80 -2.53 5.36 0.30 -5.00 117.98 116.90 1jtf s PHE 251 Ca 0.36 -0.51 -0.24 0.00 -0.96 0.00 0.00 56.93 55.58 1jtf s PHE 251 Cb 0.20 -3.48 0.06 0.00 -0.34 0.00 0.00 43.02 39.45 1jtf s PHE 251 CO 0.28 -1.00 1.22 0.34 -1.46 0.00 0.00 175.22 174.60 1jtf s ASP 252 N 2.60 6.29 0.09 6.13 3.68 -1.26 -4.74 116.67 129.45 1jtf s ASP 252 Ca 0.15 -0.97 -0.26 0.00 2.13 0.00 0.00 52.55 53.60 1jtf s ASP 252 Cb -0.19 -2.51 0.07 0.00 -1.45 0.00 0.00 42.92 38.85 1jtf s ASP 252 CO 0.12 -1.58 0.65 -0.47 0.13 0.00 0.00 175.17 174.02 1jtf s TYR 253 N 4.82 -0.55 0.53 -5.34 6.14 -1.26 -5.02 117.35 116.67 1jtf s TYR 253 Ca 0.34 0.53 0.30 0.00 0.64 0.00 0.00 57.07 58.87 1jtf s TYR 253 Cb -0.08 0.52 1.44 0.00 0.42 0.00 0.00 41.96 44.26 1jtf s TYR 253 CO 0.06 -0.76 1.91 -1.35 0.64 0.00 0.00 175.55 176.05 1jtf h PRO 254 N 2.26 0.02 -3.59 4.97 0.11 -2.02 -3.36 132.00 130.40 1jtf h PRO 254 Ca -0.31 -0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.39 1jtf h PRO 254 Cb 1.26 -0.01 -0.38 0.00 0.11 0.00 0.00 31.00 31.99 1jtf h PRO 254 CO 0.38 0.02 -0.76 1.21 -0.21 0.00 0.00 178.00 178.64 1jtf s ASN 255 N -5.74 1.33 0.00 -2.05 2.47 -1.26 -5.02 114.94 104.67 1jtf s ASN 255 Ca -0.05 -0.03 0.23 0.00 0.42 0.00 0.00 52.86 53.43 1jtf s ASN 255 Cb 0.21 -0.33 0.07 0.00 -1.45 0.00 0.00 41.25 39.75 1jtf s ASN 255 CO 0.77 -0.20 1.12 0.00 -3.72 0.00 0.00 177.10 175.06 1jtf n GLN 256 N 5.08 0.48 -1.50 0.43 6.02 -1.26 -4.60 117.38 122.03 1jtf n GLN 256 Ca -0.08 -0.37 -0.40 0.00 -0.01 0.00 0.00 57.00 56.13 1jtf n GLN 256 Cb 0.50 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.29 1jtf n GLN 256 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1jtf n GLU 257 N -0.93 0.76 -0.07 -1.09 4.71 -1.26 -1.34 120.64 121.41 1jtf n GLU 257 Ca 0.07 0.28 -0.12 0.00 -0.01 0.00 0.00 57.16 57.38 1jtf n GLU 257 Cb 0.38 -1.73 -0.08 0.00 -1.01 0.00 0.00 31.44 28.99 1jtf n GLU 257 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 1jtf h TYR 258 N 0.80 -1.42 -1.00 -0.32 3.20 -0.90 -2.50 116.97 114.83 1jtf h TYR 258 Ca -0.43 0.06 0.41 0.00 3.14 0.00 0.00 58.73 61.91 1jtf h TYR 258 Cb 1.38 0.65 -0.18 0.00 1.54 0.00 0.00 36.73 40.13 1jtf h TYR 258 CO 0.37 -0.43 0.54 -0.44 -1.64 0.00 0.00 178.16 176.55 1jtf h ASP 259 N -0.40 0.34 0.57 -2.11 3.45 -1.87 1.07 116.42 117.47 1jtf h ASP 259 Ca 0.05 0.25 -0.20 0.00 0.43 0.00 0.00 57.03 57.56 1jtf h ASP 259 Cb 0.53 0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 1jtf h ASP 259 CO -0.45 -0.41 -0.90 1.88 -1.57 0.00 0.00 179.24 177.79 1jtf h TYR 260 N 0.03 0.33 -0.30 4.55 -1.99 -1.77 0.18 116.97 118.00 1jtf h TYR 260 Ca 0.84 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 61.35 1jtf h TYR 260 Cb 2.19 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 40.87 1jtf h TYR 260 CO -0.01 1.01 0.09 0.35 -0.00 0.00 0.00 178.16 179.59 1jtf h PHE 261 N 0.12 0.49 -0.44 4.88 3.57 0.13 0.29 116.94 125.97 1jtf h PHE 261 Ca -0.05 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1jtf h PHE 261 Cb 1.54 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 1jtf h PHE 261 CO 0.03 0.51 0.22 1.25 -2.23 0.00 0.00 178.31 178.09 1jtf h HIS 262 N 0.32 0.64 -0.76 0.41 2.76 -0.02 -2.68 115.15 115.82 1jtf h HIS 262 Ca 0.10 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1jtf h HIS 262 Cb 0.26 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1jtf h HIS 262 CO 0.01 0.51 0.26 1.98 -1.30 0.00 0.00 177.93 179.39 1jtf h MET 263 N 0.57 1.17 -0.68 5.26 1.85 -0.38 -2.80 114.93 119.93 1jtf h MET 263 Ca 0.15 -0.24 0.12 0.00 -0.61 0.00 0.00 59.70 59.13 1jtf h MET 263 Cb 0.11 -0.18 -0.09 0.00 0.43 0.00 0.00 31.60 31.88 1jtf h MET 263 CO -0.02 0.98 0.23 -0.92 -0.40 0.00 0.00 176.91 176.78 1jtf h TYR 264 N 1.13 0.39 -0.35 1.39 3.20 -0.11 -0.53 116.97 122.08 1jtf h TYR 264 Ca 0.25 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1jtf h TYR 264 Cb 0.28 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1jtf h TYR 264 CO 0.02 0.04 0.14 0.74 -1.64 0.00 0.00 178.16 177.46 1jtf h PHE 265 N 0.38 0.48 0.11 -3.82 0.04 -1.24 0.43 116.94 113.32 1jtf h PHE 265 Ca 0.36 -0.01 -0.27 0.00 2.80 0.00 0.00 57.97 60.85 1jtf h PHE 265 Cb 0.53 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1jtf h PHE 265 CO -0.19 0.39 -1.25 0.52 -0.60 0.00 0.00 178.31 177.18 1jtf h MET 266 N 0.49 0.22 -0.07 1.51 2.86 -1.33 -3.32 114.93 115.29 1jtf h MET 266 Ca 0.12 -0.38 -0.14 0.00 -2.06 0.00 0.00 59.70 57.24 1jtf h MET 266 Cb 0.11 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1jtf h MET 266 CO -0.01 1.16 -0.59 -0.07 1.06 0.00 0.00 176.91 178.46 1jtf h LEU 267 N 0.06 0.25 0.00 1.22 3.38 -0.60 -3.08 115.31 116.55 1jtf h LEU 267 Ca -0.13 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jtf h LEU 267 Cb 1.95 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1jtf h LEU 267 CO 0.19 0.79 0.00 -2.11 0.09 0.00 0.00 178.44 177.39 1jtf n ARG 268 N -3.88 0.11 0.00 1.13 1.85 0.10 -1.38 116.66 114.59 1jtf n ARG 268 Ca -0.02 0.22 0.09 0.00 -1.00 0.00 0.00 57.85 57.14 1jtf n ARG 268 Cb 0.61 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.41 1jtf n ARG 268 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1jtf n THR 269 N -1.34 0.00 -2.70 8.89 -2.24 -1.16 -4.97 114.28 110.76 1jtf n THR 269 Ca 0.04 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1jtf n THR 269 Cb 0.09 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1jtf n THR 269 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jtf s VAL 270 N -2.87 4.09 -0.04 2.28 1.01 -0.48 -4.87 120.40 119.52 1jtf s VAL 270 Ca 0.08 1.49 -0.10 0.00 0.00 0.00 0.00 61.98 63.45 1jtf s VAL 270 Cb 0.15 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1jtf s VAL 270 CO 0.81 -0.10 0.28 -0.31 0.00 0.00 0.00 175.10 175.78 1jtf s TYR 271 N -1.87 3.64 0.37 5.22 1.51 -1.26 -5.06 117.35 119.90 1jtf s TYR 271 Ca 0.58 0.72 0.04 0.00 -1.01 0.00 0.00 57.07 57.40 1jtf s TYR 271 Cb -0.16 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 1jtf s TYR 271 CO 0.21 0.67 0.08 0.00 -1.11 0.00 0.00 175.55 175.39 1jtf n ASN 273 N -0.95 1.96 -4.77 0.00 3.02 -1.26 -4.93 115.26 108.34 1jtf n ASN 273 Ca -0.05 0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1jtf n ASN 273 Cb 0.66 -0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1jtf n ASN 273 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jtf s LYS 274 N -2.47 4.42 -0.12 3.52 2.20 -1.26 -5.01 119.74 121.01 1jtf s LYS 274 Ca -0.32 2.13 -0.08 0.00 -0.36 0.00 0.00 55.97 57.34 1jtf s LYS 274 Cb 0.09 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1jtf s LYS 274 CO 0.60 -0.10 0.15 0.99 -0.36 0.00 0.00 175.35 176.63 1jtf s THR 275 N -1.11 5.48 0.12 3.43 2.01 -1.26 -5.10 115.64 119.21 1jtf s THR 275 Ca 0.48 0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.83 1jtf s THR 275 Cb -0.38 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1jtf s THR 275 CO 0.50 0.60 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.43 1jtf s PHE 276 N -0.90 2.39 0.36 4.92 2.99 -1.26 -5.02 117.98 121.46 1jtf s PHE 276 Ca 0.15 -0.34 0.09 0.00 0.00 0.00 0.00 56.93 56.84 1jtf s PHE 276 Cb -0.12 -1.29 0.69 0.00 0.00 0.00 0.00 43.02 42.31 1jtf s PHE 276 CO 0.04 0.36 1.85 -1.00 -0.00 0.00 0.00 175.22 176.46 1jtf h PRO 277 N 3.83 0.19 -4.34 0.24 0.13 -1.99 -3.45 132.00 126.61 1jtf h PRO 277 Ca -0.51 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.41 1jtf h PRO 277 Cb 1.17 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1jtf h PRO 277 CO 0.42 0.43 -0.67 0.95 -0.23 0.00 0.00 178.00 178.90 1jtf s THR 278 N -4.48 0.18 0.28 1.56 -4.23 -1.26 -5.03 115.64 102.66 1jtf s THR 278 Ca -0.05 -1.86 0.26 0.00 -1.18 0.00 0.00 61.69 58.86 1jtf s THR 278 Cb 0.15 -1.77 0.26 0.00 1.34 0.00 0.00 72.50 72.48 1jtf s THR 278 CO 0.74 -0.75 1.95 0.74 -0.54 0.00 0.00 174.62 176.76 1jtf h THR 279 N 3.01 0.56 -0.71 3.99 2.02 -2.00 -1.88 112.91 117.90 1jtf h THR 279 Ca -0.35 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1jtf h THR 279 Cb 1.17 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1jtf h THR 279 CO 0.63 0.17 0.44 0.50 0.37 0.00 0.00 175.52 177.63 1jtf h LYS 280 N 0.00 0.95 -0.45 6.66 3.64 -1.99 -1.77 116.57 123.61 1jtf h LYS 280 Ca -0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1jtf h LYS 280 Cb 0.54 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1jtf h LYS 280 CO 0.02 0.66 0.12 0.00 -2.27 0.00 0.00 179.45 177.98 1jtf h ALA 281 N 1.24 0.60 -0.52 5.00 0.00 -1.76 0.17 119.26 123.98 1jtf h ALA 281 Ca 0.26 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1jtf h ALA 281 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jtf h ALA 281 CO -0.05 0.27 -0.13 -0.22 0.00 0.00 0.00 179.25 179.12 1jtf h LYS 282 N 0.60 1.01 -0.22 0.00 3.64 -1.40 -1.62 116.57 118.58 1jtf h LYS 282 Ca 0.14 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1jtf h LYS 282 Cb 0.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1jtf h LYS 282 CO -0.00 1.07 -0.07 0.28 -2.27 0.00 0.00 179.45 178.46 1jtf h VAL 283 N 0.87 1.29 -0.78 2.00 2.07 -1.23 0.27 116.25 120.74 1jtf h VAL 283 Ca 0.13 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1jtf h VAL 283 Cb 0.70 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1jtf h VAL 283 CO 0.05 0.33 0.51 -0.07 0.02 0.00 0.00 177.57 178.42 1jtf h LEU 284 N 0.15 0.76 0.12 2.57 3.38 -0.96 0.36 115.31 121.69 1jtf h LEU 284 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1jtf h LEU 284 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jtf h LEU 284 CO 0.03 0.50 -0.06 0.15 0.09 0.00 0.00 178.44 179.15 1jtf h PHE 285 N 0.87 -0.15 -0.08 1.13 3.04 -0.86 -1.37 116.94 119.53 1jtf h PHE 285 Ca 0.33 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.17 1jtf h PHE 285 Cb 0.19 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1jtf h PHE 285 CO -0.00 0.25 -0.46 -0.07 -2.02 0.00 0.00 178.31 176.01 1jtf h LEU 286 N -0.58 0.19 0.59 0.59 3.38 -0.03 -0.35 115.31 119.11 1jtf h LEU 286 Ca -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1jtf h LEU 286 Cb 0.46 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jtf h LEU 286 CO 0.03 0.63 -0.29 -0.61 0.09 0.00 0.00 178.44 178.29 1jtf h GLN 287 N 0.15 -0.77 -0.54 1.13 4.15 -0.96 -1.04 115.11 117.23 1jtf h GLN 287 Ca 0.01 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.59 1jtf h GLN 287 Cb 0.87 0.17 -0.09 0.00 0.21 0.00 0.00 27.48 28.64 1jtf h GLN 287 CO 0.07 -0.46 -0.02 0.37 -1.93 0.00 0.00 178.83 176.86 1jtf h GLN 288 N -1.04 0.10 -0.28 1.69 -0.00 -1.20 0.46 115.11 114.84 1jtf h GLN 288 Ca -0.08 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.61 1jtf h GLN 288 Cb 0.67 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.08 1jtf h GLN 288 CO 0.13 0.06 -0.03 1.03 0.00 0.00 0.00 178.83 180.03 1jtf h SER 289 N 0.10 -0.17 -0.26 -0.69 0.87 -1.01 0.82 113.55 113.21 1jtf h SER 289 Ca 0.27 0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.72 1jtf h SER 289 Cb 0.42 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1jtf h SER 289 CO -0.47 -0.05 -0.53 0.40 -0.53 0.00 0.00 176.83 175.65 1jtf h ILE 290 N 0.05 1.28 -0.36 2.23 2.04 -0.54 0.23 117.51 122.43 1jtf h ILE 290 Ca 0.13 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.23 1jtf h ILE 290 Cb 0.19 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1jtf h ILE 290 CO -0.25 0.56 0.07 -0.26 0.00 0.00 0.00 178.15 178.28 1jtf h PHE 291 N 0.66 0.62 -0.63 1.37 0.05 0.07 -0.26 116.94 118.82 1jtf h PHE 291 Ca 0.02 -0.08 0.00 0.00 3.82 0.00 0.00 57.97 61.73 1jtf h PHE 291 Cb 1.14 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.88 1jtf h PHE 291 CO 0.07 0.63 0.41 -0.09 -0.18 0.00 0.00 178.31 179.14 1jtf h ARG 292 N 0.44 0.84 -0.85 1.51 2.43 -0.68 0.23 114.38 118.30 1jtf h ARG 292 Ca 0.11 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1jtf h ARG 292 Cb 0.33 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1jtf h ARG 292 CO 0.00 0.58 0.55 0.35 -1.51 0.00 0.00 179.97 179.95 1jtf h PHE 293 N 0.86 1.04 -0.00 2.20 3.04 -0.61 -2.28 116.94 121.19 1jtf h PHE 293 Ca 0.23 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.21 1jtf h PHE 293 Cb -0.07 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.09 1jtf h PHE 293 CO -0.02 0.62 -0.18 1.28 -2.02 0.00 0.00 178.31 177.99 1jtf n LEU 294 N -4.53 0.40 -1.08 0.59 4.77 -0.14 -4.91 117.00 112.10 1jtf n LEU 294 Ca 0.10 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.11 1jtf n LEU 294 Cb 0.06 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1jtf n LEU 294 CO 0.35 0.08 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.27 1jtf n ASN 295 N -1.17 -2.96 -4.64 -1.43 4.05 0.66 -4.91 115.26 104.85 1jtf n ASN 295 Ca 0.11 -0.07 -0.38 0.00 0.45 0.00 0.00 54.58 54.69 1jtf n ASN 295 Cb 0.31 -1.99 -0.09 0.00 1.23 0.00 0.00 39.78 39.24 1jtf n ASN 295 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1jtf s ILE 296 N -2.64 5.27 -0.88 -1.44 1.01 -0.32 -5.02 121.20 117.18 1jtf s ILE 296 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1jtf s ILE 296 Cb -0.03 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1jtf s ILE 296 CO 0.09 0.27 0.22 -2.65 0.00 0.00 0.00 174.94 172.88