#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyi h PRO 27 N 0.00 0.27 0.00 1.57 0.11 -1.97 0.23 132.00 132.21 3jyi h PRO 27 Ca 0.00 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 3jyi h PRO 27 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3jyi h PRO 27 CO 0.00 0.18 -0.68 0.93 -0.21 0.00 0.00 178.00 178.22 3jyi h GLU 28 N 0.27 0.00 -0.35 1.05 4.39 -1.99 -1.75 114.58 116.21 3jyi h GLU 28 Ca 0.70 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.25 3jyi h GLU 28 Cb 1.91 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 3jyi h GLU 28 CO -0.39 0.68 -0.35 1.15 -1.16 0.00 0.00 179.01 178.93 3jyi h THR 29 N 0.00 1.28 -0.80 1.13 2.02 -1.26 -2.35 112.91 112.93 3jyi h THR 29 Ca -0.01 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.68 3jyi h THR 29 Cb 1.30 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 69.13 3jyi h THR 29 CO 0.09 0.50 0.51 0.25 0.37 0.00 0.00 175.52 177.24 3jyi h LEU 30 N 0.64 0.83 -0.72 2.58 5.85 -1.31 -0.20 115.31 122.98 3jyi h LEU 30 Ca 0.05 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3jyi h LEU 30 Cb 0.94 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3jyi h LEU 30 CO 0.09 0.57 0.45 0.58 -0.34 0.00 0.00 178.44 179.78 3jyi h VAL 31 N 0.98 1.09 -0.42 1.05 2.07 -1.21 -1.53 116.25 118.28 3jyi h VAL 31 Ca 0.32 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 3jyi h VAL 31 Cb 0.03 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3jyi h VAL 31 CO -0.12 0.16 -0.21 0.50 0.02 0.00 0.00 177.57 177.92 3jyi h LYS 32 N 0.87 0.82 0.22 1.57 1.63 -0.84 -1.23 116.57 119.62 3jyi h LYS 32 Ca 0.29 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3jyi h LYS 32 Cb 0.04 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 3jyi h LYS 32 CO -0.12 0.96 -0.29 0.28 -3.45 0.00 0.00 179.45 176.83 3jyi h VAL 33 N 0.72 0.38 -0.94 2.00 2.07 -0.75 -0.34 116.25 119.39 3jyi h VAL 33 Ca 0.10 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.75 3jyi h VAL 33 Cb 0.73 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 3jyi h VAL 33 CO 0.06 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.32 3jyi h LYS 34 N -0.57 0.84 -0.13 1.57 1.57 -1.12 0.14 116.57 118.87 3jyi h LYS 34 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3jyi h LYS 34 Cb 0.55 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3jyi h LYS 34 CO -0.10 0.55 -0.10 0.22 -0.57 0.00 0.00 179.45 179.45 3jyi h ASP 35 N 0.86 0.18 -0.20 0.86 3.58 -0.77 -2.40 116.42 118.52 3jyi h ASP 35 Ca 0.48 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.81 3jyi h ASP 35 Cb 0.55 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 3jyi h ASP 35 CO -0.29 0.31 -0.18 0.00 -2.88 0.00 0.00 179.24 176.20 3jyi h ALA 36 N 1.72 1.05 -0.27 -0.78 0.00 0.10 -1.52 119.26 119.55 3jyi h ALA 36 Ca 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3jyi h ALA 36 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3jyi h ALA 36 CO 0.02 0.57 0.15 0.93 0.00 0.00 0.00 179.25 180.92 3jyi h GLU 37 N 0.57 0.31 -0.75 0.00 5.08 -0.92 -2.28 114.58 116.59 3jyi h GLU 37 Ca 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3jyi h GLU 37 Cb 0.62 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3jyi h GLU 37 CO 0.04 0.20 0.43 -0.44 -1.00 0.00 0.00 179.01 178.25 3jyi h ASP 38 N 0.31 0.91 0.58 1.42 3.45 -1.21 0.28 116.42 122.16 3jyi h ASP 38 Ca 0.11 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.39 3jyi h ASP 38 Cb 0.01 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3jyi h ASP 38 CO -0.06 0.72 -0.47 1.56 -1.57 0.00 0.00 179.24 179.42 3jyi h GLN 39 N 1.02 0.00 0.00 3.56 1.08 -1.13 -3.16 115.11 116.48 3jyi h GLN 39 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3jyi h GLN 39 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3jyi h GLN 39 CO -0.05 0.47 -1.82 1.28 -0.95 0.00 0.00 178.83 177.76 3jyi n LEU 40 N -3.83 0.17 -3.44 1.46 4.77 -0.87 -5.00 117.00 110.26 3jyi n LEU 40 Ca -0.01 -0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 3jyi n LEU 40 Cb 0.51 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.69 3jyi n LEU 40 CO 0.39 0.04 0.13 0.61 -1.33 0.00 0.00 177.39 177.23 3jyi n GLY 41 N 1.31 -0.38 3.42 -0.72 0.00 0.94 -4.18 105.19 105.58 3jyi n GLY 41 Ca -0.03 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3jyi n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyi s ALA 42 N -3.35 -1.44 0.63 4.61 0.00 -1.14 -4.51 121.76 116.56 3jyi s ALA 42 Ca 0.08 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 3jyi s ALA 42 Cb -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3jyi s ALA 42 CO 0.73 -0.55 1.21 1.03 0.00 0.00 0.00 175.76 178.19 3jyi s ARG 43 N -2.58 2.73 -0.05 0.00 0.52 -1.25 -4.45 118.95 113.88 3jyi s ARG 43 Ca -0.05 1.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 3jyi s ARG 43 Cb -0.01 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.59 3jyi s ARG 43 CO -0.03 -1.39 -0.03 0.08 0.02 0.00 0.00 175.30 173.95 3jyi s VAL 44 N -1.69 0.48 -0.06 3.52 1.01 -1.26 -3.68 120.40 118.71 3jyi s VAL 44 Ca 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3jyi s VAL 44 Cb -0.31 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3jyi s VAL 44 CO 0.37 0.23 0.11 -0.83 0.00 0.00 0.00 175.10 174.98 3jyi s GLY 45 N 1.18 2.07 -0.22 4.51 0.00 0.11 -4.57 107.32 110.40 3jyi s GLY 45 Ca -0.07 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 3jyi s GLY 45 CO -0.01 -0.56 0.51 -0.47 0.00 0.00 0.00 173.10 172.56 3jyi s TYR 46 N -1.10 -0.85 0.04 1.90 5.04 -0.32 -1.74 117.35 120.32 3jyi s TYR 46 Ca 0.19 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.50 3jyi s TYR 46 Cb -0.12 0.43 -0.03 0.00 0.35 0.00 0.00 41.96 42.59 3jyi s TYR 46 CO 0.09 -0.46 -0.04 -1.50 -1.34 0.00 0.00 175.55 172.30 3jyi s ILE 47 N 1.89 0.28 -0.11 3.14 2.07 -0.78 -0.68 121.20 127.02 3jyi s ILE 47 Ca -0.08 -1.30 -0.02 0.00 -1.41 0.00 0.00 60.65 57.85 3jyi s ILE 47 Cb -0.09 -0.82 0.04 0.00 0.13 0.00 0.00 42.46 41.72 3jyi s ILE 47 CO -0.15 -0.65 0.00 -0.70 -1.91 0.00 0.00 174.94 171.52 3jyi s GLU 48 N -2.41 0.73 0.02 3.50 2.12 -0.36 -1.87 118.70 120.43 3jyi s GLU 48 Ca -0.06 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.26 3jyi s GLU 48 Cb -0.03 -1.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 3jyi s GLU 48 CO -0.04 -0.38 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.65 3jyi s LEU 49 N 1.91 2.78 -0.13 2.70 1.43 0.11 -0.67 118.68 126.81 3jyi s LEU 49 Ca 0.04 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 3jyi s LEU 49 Cb -0.13 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3jyi s LEU 49 CO -0.06 0.28 1.22 -0.62 0.23 0.00 0.00 176.35 177.39 3jyi s ASP 50 N -1.33 7.00 0.39 2.29 2.15 -0.45 -0.79 116.67 125.92 3jyi s ASP 50 Ca 0.15 1.70 0.06 0.00 0.43 0.00 0.00 52.55 54.89 3jyi s ASP 50 Cb -0.11 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.77 3jyi s ASP 50 CO 0.05 -0.69 2.03 0.25 -0.17 0.00 0.00 175.17 176.64 3jyi h LEU 51 N 9.18 0.56 0.00 -1.34 5.85 -1.56 0.58 115.31 128.58 3jyi h LEU 51 Ca -0.28 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3jyi h LEU 51 Cb 1.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3jyi h LEU 51 CO 0.94 0.39 -0.06 0.78 -0.34 0.00 0.00 178.44 180.15 3jyi h ASN 52 N 0.65 0.00 0.60 1.25 2.35 -1.91 -3.39 115.58 115.13 3jyi h ASN 52 Ca 0.21 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3jyi h ASN 52 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3jyi h ASN 52 CO -0.05 0.24 -0.44 0.77 -1.65 0.00 0.00 177.43 176.30 3jyi h SER 53 N -0.41 0.00 0.00 5.81 4.64 -1.97 -3.46 113.55 118.16 3jyi h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jyi h SER 53 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3jyi h SER 53 CO 0.00 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 3jyi n GLY 54 N -0.03 0.98 3.76 -0.77 0.00 0.20 -5.01 105.19 104.32 3jyi n GLY 54 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3jyi n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jyi s LYS 55 N -0.00 3.60 -0.16 1.61 2.20 -1.25 -4.52 119.74 121.21 3jyi s LYS 55 Ca 0.00 2.32 -0.28 0.00 -0.36 0.00 0.00 55.97 57.64 3jyi s LYS 55 Cb 0.00 -2.57 -0.00 0.00 -1.51 0.00 0.00 37.83 33.75 3jyi s LYS 55 CO 0.00 -0.85 0.98 0.42 -0.36 0.00 0.00 175.35 175.54 3jyi s ILE 56 N -1.25 4.77 -0.10 5.43 1.01 -1.26 -1.35 121.20 128.45 3jyi s ILE 56 Ca 0.63 1.95 0.20 0.00 0.00 0.00 0.00 60.65 63.43 3jyi s ILE 56 Cb -0.42 -4.27 -0.28 0.00 0.01 0.00 0.00 42.46 37.50 3jyi s ILE 56 CO 0.52 -0.06 0.38 0.18 0.00 0.00 0.00 174.94 175.97 3jyi n LEU 57 N 5.52 0.09 -3.61 2.97 4.77 0.15 -4.99 117.00 121.91 3jyi n LEU 57 Ca 0.09 0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3jyi n LEU 57 Cb 0.48 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 3jyi n LEU 57 CO 0.51 0.17 0.67 -0.70 -1.33 0.00 0.00 177.39 176.72 3jyi s GLU 58 N -3.12 0.64 -0.01 3.23 2.56 -1.22 -4.31 118.70 116.46 3jyi s GLU 58 Ca -0.08 0.50 -0.29 0.00 0.00 0.00 0.00 54.97 55.10 3jyi s GLU 58 Cb 0.11 0.31 0.07 0.00 2.00 0.00 0.00 34.13 36.61 3jyi s GLU 58 CO 0.87 -0.13 0.65 -1.54 -0.56 0.00 0.00 175.26 174.55 3jyi s SER 59 N -0.25 -0.62 -0.20 -1.70 1.04 -1.26 -1.22 113.70 109.48 3jyi s SER 59 Ca -0.00 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 3jyi s SER 59 Cb -0.03 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.72 3jyi s SER 59 CO -0.01 -0.66 0.42 0.12 0.98 0.00 0.00 173.24 174.08 3jyi s PHE 60 N -1.64 -0.81 -1.37 5.02 5.36 0.15 -4.88 117.98 119.81 3jyi s PHE 60 Ca -0.09 1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 57.29 3jyi s PHE 60 Cb -0.00 0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.97 3jyi s PHE 60 CO 0.06 -0.52 0.73 0.54 -1.46 0.00 0.00 175.22 174.58 3jyi n ARG 61 N 5.39 -4.90 0.27 10.12 1.74 -1.26 -1.17 116.66 126.85 3jyi n ARG 61 Ca -0.08 0.59 0.11 0.00 -0.77 0.00 0.00 57.85 57.71 3jyi n ARG 61 Cb 0.50 -5.19 0.76 0.00 -1.02 0.00 0.00 32.46 27.51 3jyi n ARG 61 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3jyi h PRO 62 N -1.91 0.00 -0.00 5.56 0.11 -1.90 -3.10 132.00 130.75 3jyi h PRO 62 Ca -0.61 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.50 3jyi h PRO 62 Cb 1.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3jyi h PRO 62 CO 0.59 0.02 -0.12 0.39 -0.21 0.00 0.00 178.00 178.68 3jyi n GLU 63 N -4.14 1.36 -3.35 1.05 1.02 -1.26 -1.19 120.64 114.13 3jyi n GLU 63 Ca -0.03 -2.76 -0.24 0.00 -0.02 0.00 0.00 57.16 54.11 3jyi n GLU 63 Cb 0.11 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 3jyi n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3jyi s GLU 64 N -2.97 3.44 -0.11 3.49 2.02 -1.17 -4.99 118.70 118.41 3jyi s GLU 64 Ca 0.34 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 54.87 3jyi s GLU 64 Cb 0.30 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 3jyi s GLU 64 CO 0.01 0.11 0.21 1.03 0.02 0.00 0.00 175.26 176.63 3jyi s ARG 65 N -4.34 3.69 0.08 1.61 0.52 -1.26 -4.16 118.95 115.09 3jyi s ARG 65 Ca 0.41 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 3jyi s ARG 65 Cb -0.10 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 3jyi s ARG 65 CO 0.36 0.67 -0.09 -0.06 0.02 0.00 0.00 175.30 176.19 3jyi s PHE 66 N -0.77 0.97 0.17 -0.53 0.08 -0.41 -4.97 117.98 112.53 3jyi s PHE 66 Ca 0.16 -0.65 -0.32 0.00 0.12 0.00 0.00 56.93 56.25 3jyi s PHE 66 Cb -0.13 -0.54 -0.11 0.00 -0.57 0.00 0.00 43.02 41.67 3jyi s PHE 66 CO 0.05 -0.04 1.74 -2.14 -0.10 0.00 0.00 175.22 174.74 3jyi s PRO 67 N -2.64 4.14 0.24 0.24 0.02 -1.26 -1.54 135.00 134.20 3jyi s PRO 67 Ca 0.03 2.57 -0.04 0.00 0.02 0.00 0.00 61.00 63.58 3jyi s PRO 67 Cb -0.03 -3.27 0.26 0.00 0.02 0.00 0.00 34.50 31.48 3jyi s PRO 67 CO -0.00 -0.77 1.75 0.52 -0.33 0.00 0.00 177.00 178.17 3jyi h MET 68 N 7.45 0.92 0.00 5.54 2.86 -1.61 -3.46 114.93 126.64 3jyi h MET 68 Ca -0.44 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 3jyi h MET 68 Cb 1.21 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3jyi h MET 68 CO 0.95 0.87 0.00 -1.33 1.06 0.00 0.00 176.91 178.46 3jyi n MET 69 N -4.23 0.00 0.00 1.72 2.81 -1.26 -2.37 117.12 113.79 3jyi n MET 69 Ca 0.04 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.94 3jyi n MET 69 Cb 0.28 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.85 3jyi n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3jyi n SER 70 N -3.15 0.00 0.32 7.83 7.64 -1.26 -2.18 113.62 122.82 3jyi n SER 70 Ca 0.00 0.19 0.21 0.00 1.01 0.00 0.00 58.87 60.28 3jyi n SER 70 Cb 0.00 -0.23 1.08 0.00 -1.01 0.00 0.00 64.21 64.04 3jyi n SER 70 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3jyi h THR 71 N 0.00 0.01 0.00 0.44 2.02 -1.59 -2.06 112.91 111.73 3jyi h THR 71 Ca 0.00 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3jyi h THR 71 Cb 0.02 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3jyi h THR 71 CO 0.00 0.00 -0.21 2.19 0.37 0.00 0.00 175.52 177.87 3jyi h PHE 72 N 0.00 0.00 -0.02 3.16 -5.15 -1.63 -3.24 116.94 110.07 3jyi h PHE 72 Ca -0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 3jyi h PHE 72 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.31 3jyi h PHE 72 CO 0.00 0.21 0.02 0.87 -2.00 0.00 0.00 178.31 177.42 3jyi h LYS 73 N 0.00 0.00 -0.08 6.09 1.57 -1.63 0.17 116.57 122.70 3jyi h LYS 73 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3jyi h LYS 73 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3jyi h LYS 73 CO 0.03 0.00 -0.34 0.28 -0.57 0.00 0.00 179.45 178.85 3jyi h VAL 74 N 0.00 1.41 -0.93 0.50 2.07 -1.77 -2.33 116.25 115.20 3jyi h VAL 74 Ca 0.01 -1.72 0.08 0.00 0.82 0.00 0.00 66.70 65.89 3jyi h VAL 74 Cb 0.06 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 3jyi h VAL 74 CO -0.00 0.50 0.58 -0.07 0.02 0.00 0.00 177.57 178.60 3jyi h LEU 75 N -0.11 0.88 0.41 2.57 4.07 -1.06 -1.75 115.31 120.33 3jyi h LEU 75 Ca -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3jyi h LEU 75 Cb 0.98 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.56 3jyi h LEU 75 CO 0.07 0.53 -0.25 0.25 -1.08 0.00 0.00 178.44 177.96 3jyi h LEU 76 N 1.00 -0.63 -2.10 1.67 5.85 -0.72 -1.67 115.31 118.69 3jyi h LEU 76 Ca 0.43 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 3jyi h LEU 76 Cb 0.28 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3jyi h LEU 76 CO -0.21 -0.40 -0.03 0.00 -0.34 0.00 0.00 178.44 177.46 3jyi h GLY 78 N 1.07 1.06 0.92 0.00 0.00 -0.72 -1.26 103.07 104.15 3jyi h GLY 78 Ca -0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.33 3jyi h GLY 78 CO 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 176.54 177.35 3jyi h ALA 79 N 0.86 0.47 -0.54 3.60 0.00 -0.06 -1.52 119.26 122.06 3jyi h ALA 79 Ca 0.11 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3jyi h ALA 79 Cb 0.78 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3jyi h ALA 79 CO 0.06 0.28 0.29 0.28 0.00 0.00 0.00 179.25 180.17 3jyi h VAL 80 N 0.44 0.98 -0.41 0.00 2.07 -1.12 -2.37 116.25 115.84 3jyi h VAL 80 Ca 0.09 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3jyi h VAL 80 Cb 0.53 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3jyi h VAL 80 CO 0.03 0.10 -0.04 -0.07 0.02 0.00 0.00 177.57 177.61 3jyi h LEU 81 N 0.57 0.66 -1.36 2.57 3.38 -1.11 -1.76 115.31 118.26 3jyi h LEU 81 Ca 0.24 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3jyi h LEU 81 Cb 0.11 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3jyi h LEU 81 CO -0.15 0.76 0.50 -1.28 0.09 0.00 0.00 178.44 178.37 3jyi h SER 82 N 0.64 0.65 0.06 -0.43 0.87 -0.78 -1.07 113.55 113.50 3jyi h SER 82 Ca 0.12 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 3jyi h SER 82 Cb 0.46 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3jyi h SER 82 CO 0.02 0.40 -0.75 0.03 -0.53 0.00 0.00 176.83 176.00 3jyi h ARG 83 N 0.73 0.41 -0.72 2.24 3.08 -1.01 -2.69 114.38 116.42 3jyi h ARG 83 Ca 0.35 -0.52 0.15 0.00 0.07 0.00 0.00 59.98 60.03 3jyi h ARG 83 Cb 0.39 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.50 3jyi h ARG 83 CO -0.13 1.18 0.20 0.28 -1.07 0.00 0.00 179.97 180.44 3jyi h VAL 84 N -0.13 0.56 -0.06 2.04 2.07 -0.94 0.30 116.25 120.09 3jyi h VAL 84 Ca -0.11 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3jyi h VAL 84 Cb 1.49 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3jyi h VAL 84 CO 0.15 0.06 0.04 0.44 0.02 0.00 0.00 177.57 178.28 3jyi h ASP 85 N 0.31 0.00 -0.52 0.57 3.32 -1.13 -2.68 116.42 116.28 3jyi h ASP 85 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3jyi h ASP 85 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3jyi h ASP 85 CO -0.47 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.05 3jyi n ALA 86 N -2.52 2.42 -1.16 3.45 0.00 0.92 -4.93 120.51 118.69 3jyi n ALA 86 Ca -0.02 -1.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.34 3jyi n ALA 86 Cb 0.15 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3jyi n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyi n GLY 87 N 1.48 0.80 0.58 0.00 0.00 -0.72 -4.90 105.19 102.44 3jyi n GLY 87 Ca 0.20 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.50 3jyi n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jyi n GLN 88 N -2.81 2.53 -3.51 1.61 6.02 -0.50 -4.99 117.38 115.72 3jyi n GLN 88 Ca -0.06 -1.90 -0.10 0.00 -0.01 0.00 0.00 57.00 54.94 3jyi n GLN 88 Cb 0.18 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 3jyi n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3jyi s GLU 89 N -0.98 0.84 -0.06 -1.09 2.56 -1.23 -4.83 118.70 113.91 3jyi s GLU 89 Ca 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 54.97 55.03 3jyi s GLU 89 Cb 0.11 0.39 0.02 0.00 2.00 0.00 0.00 34.13 36.65 3jyi s GLU 89 CO 0.15 -0.34 -0.05 -0.65 -0.56 0.00 0.00 175.26 173.81 3jyi s GLN 90 N -2.51 0.97 0.53 4.30 -0.21 -1.26 -4.10 119.66 117.37 3jyi s GLN 90 Ca 0.01 -0.13 0.22 0.00 0.02 0.00 0.00 55.36 55.49 3jyi s GLN 90 Cb -0.01 -0.99 1.36 0.00 1.00 0.00 0.00 33.01 34.37 3jyi s GLN 90 CO -0.05 -0.11 2.05 -0.07 -2.12 0.00 0.00 175.29 174.99 3jyi h LEU 91 N 7.39 0.00 0.00 2.90 4.07 -1.97 -1.09 115.31 126.61 3jyi h LEU 91 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3jyi h LEU 91 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3jyi h LEU 91 CO 0.44 0.00 -0.11 0.61 -1.08 0.00 0.00 178.44 178.30 3jyi n GLY 92 N -1.60 -1.45 3.74 0.83 0.00 -1.26 -1.34 105.19 104.11 3jyi n GLY 92 Ca 0.05 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3jyi n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jyi s ARG 93 N -3.00 4.14 -0.12 1.61 3.52 -0.41 -4.75 118.95 119.94 3jyi s ARG 93 Ca 0.13 2.54 -0.04 0.00 -0.13 0.00 0.00 55.73 58.23 3jyi s ARG 93 Cb 0.19 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 3jyi s ARG 93 CO 0.57 -0.62 0.04 0.50 -0.81 0.00 0.00 175.30 174.98 3jyi s ARG 94 N -0.22 3.39 -0.07 5.12 3.52 -1.26 -1.34 118.95 128.09 3jyi s ARG 94 Ca 0.64 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 3jyi s ARG 94 Cb -0.47 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 3jyi s ARG 94 CO 0.45 0.57 -0.23 0.42 -0.81 0.00 0.00 175.30 175.69 3jyi s ILE 95 N -0.48 2.18 0.04 4.11 1.01 0.77 -4.94 121.20 123.89 3jyi s ILE 95 Ca 0.09 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.78 3jyi s ILE 95 Cb -0.12 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3jyi s ILE 95 CO 0.02 0.57 -0.05 -1.00 0.00 0.00 0.00 174.94 174.48 3jyi s HIS 96 N -0.03 2.92 0.30 3.97 3.76 -1.26 -1.34 115.29 123.60 3jyi s HIS 96 Ca -0.07 -0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 3jyi s HIS 96 Cb -0.15 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 3jyi s HIS 96 CO 0.05 0.42 0.42 1.52 -0.85 0.00 0.00 174.74 176.31 3jyi s TYR 97 N -1.13 0.94 0.25 1.40 -0.85 -1.26 -5.06 117.35 111.63 3jyi s TYR 97 Ca 0.21 -1.18 0.10 0.00 -0.52 0.00 0.00 57.07 55.67 3jyi s TYR 97 Cb -0.11 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 3jyi s TYR 97 CO 0.12 -1.03 -0.08 0.45 -1.52 0.00 0.00 175.55 173.49 3jyi s SER 98 N -3.18 4.22 0.43 -0.18 0.15 -1.26 -4.89 113.70 108.99 3jyi s SER 98 Ca 0.30 -0.73 0.23 0.00 0.70 0.00 0.00 55.95 56.45 3jyi s SER 98 Cb 0.01 -0.67 1.22 0.00 -1.71 0.00 0.00 66.02 64.87 3jyi s SER 98 CO 0.17 0.04 1.76 -0.61 1.20 0.00 0.00 173.24 175.79 3jyi h GLN 99 N 2.23 0.28 0.00 5.44 5.75 -1.98 0.20 115.11 127.03 3jyi h GLN 99 Ca -0.44 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3jyi h GLN 99 Cb 1.24 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.73 3jyi h GLN 99 CO 0.59 0.18 0.00 -1.71 -2.65 0.00 0.00 178.83 175.24 3jyi n ASN 100 N -4.56 0.00 -0.00 -0.69 5.15 -1.26 -2.85 115.26 111.05 3jyi n ASN 100 Ca 0.27 0.40 -0.06 0.00 -0.60 0.00 0.00 54.58 54.58 3jyi n ASN 100 Cb 1.02 -0.45 -0.12 0.00 -0.53 0.00 0.00 39.78 39.69 3jyi n ASN 100 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3jyi h ASP 101 N 0.00 0.00 -2.43 1.20 3.32 -0.98 -3.47 116.42 114.06 3jyi h ASP 101 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3jyi h ASP 101 Cb 0.27 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.88 3jyi h ASP 101 CO 0.00 0.90 0.80 0.18 -1.72 0.00 0.00 179.24 179.40 3jyi n LEU 102 N -3.03 3.27 0.00 1.55 4.32 -1.13 -4.90 117.00 117.07 3jyi n LEU 102 Ca -0.14 1.09 -0.17 0.00 -0.02 0.00 0.00 56.01 56.77 3jyi n LEU 102 Cb 0.99 -1.45 -0.02 0.00 -1.62 0.00 0.00 43.42 41.32 3jyi n LEU 102 CO 0.45 -0.24 -0.04 1.33 -1.22 0.00 0.00 177.39 177.67 3jyi n VAL 103 N 3.20 0.00 -1.69 4.08 0.24 -1.26 -5.07 118.33 117.84 3jyi n VAL 103 Ca 0.16 -1.35 -0.44 0.00 -2.04 0.00 0.00 64.34 60.66 3jyi n VAL 103 Cb 0.30 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 3jyi n VAL 103 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3jyi n GLU 104 N -1.05 2.19 -2.79 7.34 2.13 -1.26 -4.05 120.64 123.14 3jyi n GLU 104 Ca -0.06 0.78 -0.04 0.00 0.66 0.00 0.00 57.16 58.50 3jyi n GLU 104 Cb 0.38 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.64 3jyi n GLU 104 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3jyi n TYR 105 N 1.81 -2.91 -3.17 4.31 9.36 -1.26 -4.60 117.16 120.69 3jyi n TYR 105 Ca 0.10 1.15 -0.24 0.00 3.32 0.00 0.00 57.90 62.23 3jyi n TYR 105 Cb 0.33 -3.83 -0.05 0.00 -0.63 0.00 0.00 39.34 35.16 3jyi n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3jyi n SER 106 N -0.97 2.49 -0.34 2.98 7.64 -1.26 -1.95 113.62 122.22 3jyi n SER 106 Ca 0.06 -3.25 0.09 0.00 1.01 0.00 0.00 58.87 56.77 3jyi n SER 106 Cb 0.45 -0.62 0.28 0.00 -1.01 0.00 0.00 64.21 63.32 3jyi n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3jyi h PRO 107 N 3.47 0.87 0.00 1.43 0.13 -1.95 -1.65 132.00 134.30 3jyi h PRO 107 Ca 0.13 -0.05 -0.35 0.00 -0.87 0.00 0.00 66.00 64.86 3jyi h PRO 107 Cb 0.74 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 31.61 3jyi h PRO 107 CO 0.67 0.58 -2.31 1.55 -0.23 0.00 0.00 178.00 178.26 3jyi n VAL 108 N -4.61 1.31 0.02 1.56 3.14 -1.26 -4.52 118.33 113.97 3jyi n VAL 108 Ca 0.19 -0.62 -0.01 0.00 -2.96 0.00 0.00 64.34 60.93 3jyi n VAL 108 Cb 0.40 -1.00 0.26 0.00 -1.06 0.00 0.00 33.84 32.44 3jyi n VAL 108 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3jyi h THR 109 N 0.00 1.23 -0.72 1.55 1.35 -1.95 -2.20 112.91 112.16 3jyi h THR 109 Ca -0.51 -1.02 0.21 0.00 -0.55 0.00 0.00 66.41 64.54 3jyi h THR 109 Cb 1.94 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 69.50 3jyi h THR 109 CO -0.04 0.33 0.68 -0.33 -0.25 0.00 0.00 175.52 175.91 3jyi h GLU 110 N 0.44 0.00 -0.68 4.72 5.08 -1.53 -2.42 114.58 120.19 3jyi h GLU 110 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3jyi h GLU 110 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3jyi h GLU 110 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 3jyi n LYS 111 N -3.78 2.61 -2.71 2.33 5.02 -0.83 -4.34 118.16 116.46 3jyi n LYS 111 Ca 0.15 -2.49 -0.06 0.00 -2.02 0.00 0.00 58.31 53.88 3jyi n LYS 111 Cb 0.93 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 34.44 3jyi n LYS 111 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jyi n HIS 112 N 1.54 1.39 -0.06 2.13 8.25 -0.91 -4.87 115.22 122.69 3jyi n HIS 112 Ca 0.23 -2.44 -0.16 0.00 -0.26 0.00 0.00 57.72 55.09 3jyi n HIS 112 Cb 0.59 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 3jyi n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3jyi h LEU 113 N 2.74 0.91 -0.04 2.41 3.38 -1.76 -1.39 115.31 121.56 3jyi h LEU 113 Ca -0.08 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 3jyi h LEU 113 Cb 1.23 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.73 3jyi h LEU 113 CO 0.37 1.31 -0.35 0.71 0.09 0.00 0.00 178.44 180.56 3jyi h THR 114 N 0.55 1.45 0.00 0.22 1.35 -1.90 -3.38 112.91 111.20 3jyi h THR 114 Ca -0.01 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3jyi h THR 114 Cb 1.19 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3jyi h THR 114 CO 0.13 0.52 -1.26 -0.90 -0.25 0.00 0.00 175.52 173.76 3jyi n ASP 115 N -4.41 0.55 -0.30 5.36 5.75 -1.25 -5.04 116.55 117.21 3jyi n ASP 115 Ca -0.09 -0.29 0.01 0.00 -0.01 0.00 0.00 54.79 54.41 3jyi n ASP 115 Cb 0.53 1.11 -0.00 0.00 -1.03 0.00 0.00 41.12 41.73 3jyi n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jyi n GLY 116 N 1.36 -1.81 3.15 6.12 0.00 -0.52 -4.92 105.19 108.57 3jyi n GLY 116 Ca 0.01 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3jyi n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jyi s MET 117 N -0.14 0.62 0.62 1.61 -1.94 -0.45 -4.87 119.30 114.73 3jyi s MET 117 Ca 0.00 -0.56 -0.10 0.00 -1.71 0.00 0.00 55.69 53.32 3jyi s MET 117 Cb 0.00 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 37.07 3jyi s MET 117 CO 0.00 -0.17 0.99 0.95 -0.01 0.00 0.00 175.02 176.79 3jyi s THR 118 N -2.17 4.31 0.26 2.05 -4.23 -1.26 -0.16 115.64 114.44 3jyi s THR 118 Ca -0.08 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3jyi s THR 118 Cb -0.03 -3.72 0.25 0.00 1.34 0.00 0.00 72.50 70.33 3jyi s THR 118 CO -0.02 -0.89 1.83 0.58 -0.54 0.00 0.00 174.62 175.57 3jyi h VAL 119 N -0.30 0.94 -0.09 2.29 2.07 -1.12 -0.74 116.25 119.28 3jyi h VAL 119 Ca -0.45 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3jyi h VAL 119 Cb 1.22 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3jyi h VAL 119 CO 0.62 0.17 -0.13 -0.09 0.02 0.00 0.00 177.57 178.16 3jyi h ARG 120 N 0.92 -0.17 0.00 1.57 2.43 -1.50 -1.18 114.38 116.44 3jyi h ARG 120 Ca 0.44 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.57 3jyi h ARG 120 Cb 0.38 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3jyi h ARG 120 CO -0.24 -0.12 -0.23 0.93 -1.51 0.00 0.00 179.97 178.80 3jyi h GLU 121 N -0.18 0.00 -0.05 0.20 5.08 -1.68 -1.45 114.58 116.50 3jyi h GLU 121 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3jyi h GLU 121 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 3jyi h GLU 121 CO -0.20 0.23 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.52 3jyi h LEU 122 N 0.00 0.49 -0.75 1.33 4.07 -0.71 -1.23 115.31 118.51 3jyi h LEU 122 Ca -0.00 -0.70 -0.07 0.00 0.08 0.00 0.00 57.88 57.19 3jyi h LEU 122 Cb 0.43 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 3jyi h LEU 122 CO 0.03 1.11 0.13 0.00 -1.08 0.00 0.00 178.44 178.63 3jyi h SER 124 N 1.02 0.63 0.25 0.00 0.87 -1.28 -2.04 113.55 113.01 3jyi h SER 124 Ca 0.21 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 3jyi h SER 124 Cb 0.40 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3jyi h SER 124 CO 0.01 0.46 -0.53 0.00 -0.53 0.00 0.00 176.83 176.23 3jyi h ALA 125 N 1.20 0.89 -0.03 6.23 0.00 -0.65 0.67 119.26 127.57 3jyi h ALA 125 Ca 0.20 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3jyi h ALA 125 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3jyi h ALA 125 CO -0.04 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 3jyi h ALA 126 N 1.20 0.04 0.02 0.00 0.00 -0.63 -1.55 119.26 118.35 3jyi h ALA 126 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3jyi h ALA 126 Cb 1.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3jyi h ALA 126 CO 0.09 -0.21 -0.36 0.82 0.00 0.00 0.00 179.25 179.59 3jyi h ILE 127 N -0.36 1.56 -0.03 0.00 2.04 -1.39 -1.94 117.51 117.38 3jyi h ILE 127 Ca 0.01 -2.12 -0.23 0.00 1.00 0.00 0.00 64.86 63.52 3jyi h ILE 127 Cb 0.48 2.91 0.01 0.00 -0.74 0.00 0.00 36.82 39.48 3jyi h ILE 127 CO 0.01 0.58 -0.91 0.74 0.00 0.00 0.00 178.15 178.57 3jyi h THR 128 N -0.50 1.36 -0.01 -0.27 2.02 -1.00 -3.34 112.91 111.17 3jyi h THR 128 Ca -0.05 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3jyi h THR 128 Cb 1.15 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 3jyi h THR 128 CO 0.07 0.70 0.00 0.23 0.37 0.00 0.00 175.52 176.89 3jyi n MET 129 N -3.80 -0.11 -2.21 6.66 2.81 -0.84 -1.62 117.12 118.01 3jyi n MET 129 Ca -0.07 -0.79 -0.18 0.00 -1.81 0.00 0.00 57.70 54.85 3jyi n MET 129 Cb 0.81 -1.04 -0.02 0.00 -0.71 0.00 0.00 33.22 32.25 3jyi n MET 129 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3jyi n SER 130 N 0.05 -5.16 -4.68 7.83 2.88 -0.73 -4.91 113.62 108.91 3jyi n SER 130 Ca 0.01 0.14 -0.44 0.00 -1.33 0.00 0.00 58.87 57.26 3jyi n SER 130 Cb 0.09 -4.38 -0.04 0.00 -0.75 0.00 0.00 64.21 59.13 3jyi n SER 130 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3jyi n ASP 131 N -1.74 3.79 -0.02 -3.46 4.64 -0.64 -4.93 116.55 114.19 3jyi n ASP 131 Ca -0.21 0.98 -0.16 0.00 -1.38 0.00 0.00 54.79 54.03 3jyi n ASP 131 Cb 0.65 -1.48 -0.12 0.00 -1.04 0.00 0.00 41.12 39.13 3jyi n ASP 131 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 3jyi h ASN 132 N 8.67 0.28 -0.89 1.67 2.35 -1.64 -2.91 115.58 123.10 3jyi h ASN 132 Ca -0.47 -0.81 0.02 0.00 -0.55 0.00 0.00 56.30 54.49 3jyi h ASN 132 Cb 1.24 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.48 3jyi h ASN 132 CO 0.94 1.05 0.59 0.74 -1.65 0.00 0.00 177.43 179.10 3jyi h THR 133 N -0.47 1.19 -0.74 2.81 2.02 -1.85 -1.61 112.91 114.26 3jyi h THR 133 Ca -0.05 -0.40 0.11 0.00 0.77 0.00 0.00 66.41 66.85 3jyi h THR 133 Cb 1.12 -0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 3jyi h THR 133 CO 0.07 0.21 0.34 0.00 0.37 0.00 0.00 175.52 176.51 3jyi h ALA 134 N 1.35 1.03 -0.38 6.16 0.00 -1.90 0.22 119.26 125.74 3jyi h ALA 134 Ca 0.34 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 3jyi h ALA 134 Cb -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3jyi h ALA 134 CO -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.02 3jyi h ALA 135 N 1.48 0.51 0.21 0.00 0.00 -1.12 -2.40 119.26 117.94 3jyi h ALA 135 Ca 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3jyi h ALA 135 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jyi h ALA 135 CO -0.32 0.32 -0.19 -0.91 0.00 0.00 0.00 179.25 178.15 3jyi h ASN 136 N 0.50 -0.49 -0.95 0.00 2.35 -0.55 -0.10 115.58 116.35 3jyi h ASN 136 Ca 0.10 0.04 0.24 0.00 -0.55 0.00 0.00 56.30 56.14 3jyi h ASN 136 Cb 0.52 0.16 -0.13 0.00 0.05 0.00 0.00 38.32 38.93 3jyi h ASN 136 CO 0.03 -0.28 0.48 -0.07 -1.65 0.00 0.00 177.43 175.93 3jyi h LEU 137 N -0.42 0.46 -0.57 1.61 4.07 -0.95 0.95 115.31 120.46 3jyi h LEU 137 Ca -0.01 0.15 -0.16 0.00 0.08 0.00 0.00 57.88 57.95 3jyi h LEU 137 Cb 0.38 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3jyi h LEU 137 CO -0.03 0.01 -0.68 -0.07 -1.08 0.00 0.00 178.44 176.59 3jyi h LEU 138 N 0.45 0.19 -0.38 1.67 3.38 -0.87 -2.40 115.31 117.35 3jyi h LEU 138 Ca 0.61 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 3jyi h LEU 138 Cb 1.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3jyi h LEU 138 CO -0.53 0.82 0.04 -0.07 0.09 0.00 0.00 178.44 178.79 3jyi h LEU 139 N 0.11 0.62 -0.57 1.67 3.38 0.10 -2.72 115.31 117.90 3jyi h LEU 139 Ca -0.02 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.79 3jyi h LEU 139 Cb 1.22 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 3jyi h LEU 139 CO 0.10 0.74 0.09 0.74 0.09 0.00 0.00 178.44 180.20 3jyi h THR 140 N 0.47 0.63 -1.00 0.22 2.02 -1.09 0.39 112.91 114.55 3jyi h THR 140 Ca 0.11 -0.07 0.38 0.00 0.77 0.00 0.00 66.41 67.60 3jyi h THR 140 Cb 0.40 0.39 -0.17 0.00 -1.74 0.00 0.00 68.15 67.03 3jyi h THR 140 CO 0.01 0.04 0.54 0.74 0.37 0.00 0.00 175.52 177.22 3jyi h THR 141 N 0.22 0.11 -0.01 3.16 2.02 -1.11 -2.50 112.91 114.80 3jyi h THR 141 Ca 0.30 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3jyi h THR 141 Cb 0.44 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3jyi h THR 141 CO -0.41 0.02 -0.07 2.30 0.37 0.00 0.00 175.52 177.74 3jyi n ILE 142 N -5.19 0.00 0.00 3.11 -5.35 -0.61 -4.98 119.36 106.34 3jyi n ILE 142 Ca 0.36 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3jyi n ILE 142 Cb 1.17 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 40.28 3jyi n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jyi n GLY 143 N 0.73 1.12 0.00 3.28 0.00 -0.53 -4.75 105.19 105.04 3jyi n GLY 143 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3jyi n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyi n GLY 144 N -1.78 -0.74 0.33 -0.02 0.00 0.12 -4.31 105.19 98.80 3jyi n GLY 144 Ca 0.00 -1.72 0.21 0.00 0.00 0.00 0.00 46.02 44.52 3jyi n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jyi h PRO 145 N 0.00 0.33 -0.33 1.61 0.11 -1.85 -0.36 132.00 131.50 3jyi h PRO 145 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3jyi h PRO 145 Cb 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3jyi h PRO 145 CO 0.00 0.22 0.13 0.87 -0.21 0.00 0.00 178.00 179.01 3jyi h LYS 146 N 0.34 0.46 0.13 1.05 1.57 -1.80 -1.83 116.57 116.49 3jyi h LYS 146 Ca 0.70 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 59.13 3jyi h LYS 146 Cb 1.54 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 33.78 3jyi h LYS 146 CO -0.60 0.38 -1.25 0.93 -0.57 0.00 0.00 179.45 178.35 3jyi h GLU 147 N 0.46 0.55 -0.43 3.15 4.39 -1.25 -1.79 114.58 119.66 3jyi h GLU 147 Ca 0.12 -0.76 0.07 0.00 0.34 0.00 0.00 59.36 59.13 3jyi h GLU 147 Cb 0.09 0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 3jyi h GLU 147 CO -0.01 1.34 0.06 1.25 -1.16 0.00 0.00 179.01 180.49 3jyi h LEU 148 N 0.23 -0.05 -1.29 1.33 6.46 -1.33 0.38 115.31 121.04 3jyi h LEU 148 Ca -0.18 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 3jyi h LEU 148 Cb 1.93 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.96 3jyi h LEU 148 CO 0.23 0.01 0.30 0.74 -0.62 0.00 0.00 178.44 179.10 3jyi h THR 149 N 0.18 1.18 -0.35 1.05 2.02 -1.29 -1.70 112.91 114.00 3jyi h THR 149 Ca 0.21 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 3jyi h THR 149 Cb 0.28 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3jyi h THR 149 CO -0.30 0.20 0.01 0.00 0.37 0.00 0.00 175.52 175.80 3jyi h ALA 150 N 1.54 0.47 -0.47 6.16 0.00 -0.76 -2.40 119.26 123.81 3jyi h ALA 150 Ca 0.20 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3jyi h ALA 150 Cb 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3jyi h ALA 150 CO -0.03 0.22 0.21 0.35 0.00 0.00 0.00 179.25 180.00 3jyi h PHE 151 N 0.43 0.38 -0.62 0.00 3.57 -0.40 -1.72 116.94 118.58 3jyi h PHE 151 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3jyi h PHE 151 Cb 0.44 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3jyi h PHE 151 CO 0.03 0.17 0.38 -0.07 -2.23 0.00 0.00 178.31 176.60 3jyi h LEU 152 N 0.42 0.63 -0.56 0.59 4.07 -1.27 -2.74 115.31 116.45 3jyi h LEU 152 Ca 0.21 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 3jyi h LEU 152 Cb 0.16 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 3jyi h LEU 152 CO -0.18 0.44 0.23 -0.74 -1.08 0.00 0.00 178.44 177.12 3jyi h HIS 153 N 0.76 0.85 0.00 1.13 2.76 -1.12 -1.78 115.15 117.75 3jyi h HIS 153 Ca 0.24 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3jyi h HIS 153 Cb 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.71 3jyi h HIS 153 CO -0.05 0.68 0.00 0.09 -1.30 0.00 0.00 177.93 177.35 3jyi n ASN 154 N -4.51 0.54 -0.87 3.26 3.02 -0.67 -1.57 115.26 114.46 3jyi n ASN 154 Ca 0.03 0.67 0.09 0.00 -0.03 0.00 0.00 54.58 55.34 3jyi n ASN 154 Cb 0.15 -0.77 0.17 0.00 -0.61 0.00 0.00 39.78 38.72 3jyi n ASN 154 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3jyi n MET 155 N -2.14 2.23 0.00 3.52 0.00 -0.96 -4.96 117.12 114.81 3jyi n MET 155 Ca 0.01 -2.02 0.00 0.00 0.00 0.00 0.00 57.70 55.69 3jyi n MET 155 Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 31.98 3jyi n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3jyi n GLY 156 N 1.03 0.88 3.37 3.17 0.00 -0.61 -5.05 105.19 107.98 3jyi n GLY 156 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3jyi n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyi s ASP 157 N -2.23 6.19 -0.27 1.61 -1.08 -0.71 -4.90 116.67 115.29 3jyi s ASP 157 Ca 0.00 -1.41 0.13 0.00 -0.52 0.00 0.00 52.55 50.74 3jyi s ASP 157 Cb 0.00 -2.27 0.79 0.00 -1.46 0.00 0.00 42.92 39.98 3jyi s ASP 157 CO 0.00 -0.98 1.77 1.41 0.52 0.00 0.00 175.17 177.89 3jyi n HIS 158 N 5.97 2.20 -0.00 -5.34 8.25 -1.26 -3.07 115.22 121.97 3jyi n HIS 158 Ca -0.10 -0.91 -0.00 0.00 -0.26 0.00 0.00 57.72 56.44 3jyi n HIS 158 Cb 0.42 -0.58 -0.00 0.00 1.12 0.00 0.00 29.99 30.96 3jyi n HIS 158 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3jyi n VAL 159 N 0.30 0.02 -2.12 1.59 0.31 -1.26 -5.03 118.33 112.14 3jyi n VAL 159 Ca 0.33 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 64.25 3jyi n VAL 159 Cb 1.27 -1.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.76 3jyi n VAL 159 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3jyi s THR 160 N -2.01 2.74 -0.25 2.52 2.01 -1.26 -4.76 115.64 114.63 3jyi s THR 160 Ca -0.01 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.57 3jyi s THR 160 Cb 0.00 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.17 3jyi s THR 160 CO 0.01 0.13 0.60 0.00 -0.69 0.00 0.00 174.62 174.67 3jyi s ARG 161 N -2.02 0.59 -0.11 4.92 1.70 -0.98 -4.89 118.95 118.16 3jyi s ARG 161 Ca 0.53 1.17 -0.02 0.00 -0.47 0.00 0.00 55.73 56.93 3jyi s ARG 161 Cb -0.38 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.24 3jyi s ARG 161 CO 0.50 -0.17 -0.02 -1.17 -1.08 0.00 0.00 175.30 173.35 3jyi s LEU 162 N 1.92 3.39 0.00 -1.89 2.96 -1.26 -2.87 118.68 120.93 3jyi s LEU 162 Ca -0.08 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3jyi s LEU 162 Cb -0.08 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.83 3jyi s LEU 162 CO -0.18 0.30 0.00 0.47 -1.32 0.00 0.00 176.35 175.62 3jyi n ASP 163 N 2.69 3.11 -4.29 3.68 8.00 -1.26 -4.25 116.55 124.24 3jyi n ASP 163 Ca -0.18 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.04 3jyi n ASP 163 Cb 0.53 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 3jyi n ASP 163 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jyi n ARG 164 N -1.69 0.82 -3.54 -1.24 1.74 -1.26 -4.87 116.66 106.62 3jyi n ARG 164 Ca 0.00 -3.35 -0.24 0.00 -0.77 0.00 0.00 57.85 53.49 3jyi n ARG 164 Cb 0.33 1.08 0.02 0.00 -1.02 0.00 0.00 32.46 32.88 3jyi n ARG 164 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3jyi s TRP 165 N -2.74 1.51 0.24 -1.55 0.52 -1.26 -4.76 118.94 110.90 3jyi s TRP 165 Ca 0.04 -0.80 -0.30 0.00 0.02 0.00 0.00 56.10 55.06 3jyi s TRP 165 Cb 0.00 -2.03 -0.09 0.00 -1.15 0.00 0.00 33.47 30.20 3jyi s TRP 165 CO 0.03 -0.77 1.00 -1.21 0.02 0.00 0.00 176.95 176.02 3jyi s GLU 166 N -4.45 4.77 0.00 4.98 0.41 -1.26 -1.73 118.70 121.42 3jyi s GLU 166 Ca 0.45 1.60 0.26 0.00 -0.41 0.00 0.00 54.97 56.87 3jyi s GLU 166 Cb -0.04 -3.26 0.56 0.00 -1.78 0.00 0.00 34.13 29.61 3jyi s GLU 166 CO 0.29 0.38 1.46 -2.30 -0.49 0.00 0.00 175.26 174.59 3jyi n PRO 167 N 1.55 1.70 0.00 0.39 -0.02 -1.26 -4.94 135.00 132.42 3jyi n PRO 167 Ca -0.01 -1.22 0.10 0.00 -2.02 0.00 0.00 63.50 60.34 3jyi n PRO 167 Cb 0.46 -1.47 0.46 0.00 -0.02 0.00 0.00 33.50 32.93 3jyi n PRO 167 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3jyi n GLU 168 N 0.42 0.09 0.00 -0.52 0.00 -0.86 -3.03 120.64 116.74 3jyi n GLU 168 Ca 0.15 0.13 0.10 0.00 0.00 0.00 0.00 57.16 57.54 3jyi n GLU 168 Cb 0.45 -1.50 0.47 0.00 0.00 0.00 0.00 31.44 30.86 3jyi n GLU 168 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3jyi n LEU 169 N -1.43 0.00 -2.25 -1.84 -0.00 -0.70 -3.42 117.00 107.36 3jyi n LEU 169 Ca 0.06 0.40 -0.31 0.00 -0.00 0.00 0.00 56.01 56.16 3jyi n LEU 169 Cb 0.22 -0.40 0.05 0.00 -0.00 0.00 0.00 43.42 43.29 3jyi n LEU 169 CO 0.18 -0.13 0.93 0.61 -0.00 0.00 0.00 177.39 178.99 3jyi n GLY 170 N 0.52 6.07 0.09 1.47 0.00 -1.17 -4.62 105.19 107.55 3jyi n GLY 170 Ca 0.07 -2.47 -0.12 0.00 0.00 0.00 0.00 46.02 43.50 3jyi n GLY 170 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jyi h GLU 171 N 2.14 0.09 -6.15 1.61 4.81 -1.82 -0.64 114.58 114.62 3jyi h GLU 171 Ca 0.51 -0.15 -0.44 0.00 -0.13 0.00 0.00 59.36 59.14 3jyi h GLU 171 Cb 1.05 0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.51 3jyi h GLU 171 CO 1.25 0.78 -0.76 0.00 -0.73 0.00 0.00 179.01 179.54 3jyi n ALA 172 N -2.64 -1.47 -1.70 2.92 0.00 -1.26 -4.59 120.51 111.77 3jyi n ALA 172 Ca -0.18 0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 3jyi n ALA 172 Cb 1.04 -4.08 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 3jyi n ALA 172 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3jyi n ILE 173 N -4.64 0.30 -1.67 0.00 5.41 -1.26 -4.88 119.36 112.62 3jyi n ILE 173 Ca -0.05 -0.08 -0.45 0.00 1.00 0.00 0.00 62.75 63.18 3jyi n ILE 173 Cb 0.57 -1.78 -0.03 0.00 -0.71 0.00 0.00 39.64 37.69 3jyi n ILE 173 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jyi n PRO 174 N 3.23 2.00 0.00 0.38 -0.02 -1.26 -1.41 135.00 137.92 3jyi n PRO 174 Ca 0.14 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3jyi n PRO 174 Cb 0.33 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3jyi n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3jyi n ASN 175 N 2.11 0.00 -4.66 2.55 3.02 -1.26 -4.97 115.26 112.04 3jyi n ASN 175 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 3jyi n ASN 175 Cb 0.31 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3jyi n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jyi s ASP 176 N -2.17 6.64 0.00 6.41 -1.08 -0.50 -4.89 116.67 121.08 3jyi s ASP 176 Ca 0.00 2.30 0.28 0.00 -0.52 0.00 0.00 52.55 54.61 3jyi s ASP 176 Cb 0.00 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.96 3jyi s ASP 176 CO 0.00 -0.93 1.74 -0.62 0.52 0.00 0.00 175.17 175.88 3jyi n GLU 177 N 7.01 1.26 -2.06 4.34 1.02 -1.26 -4.84 120.64 126.11 3jyi n GLU 177 Ca 0.17 -0.67 -0.41 0.00 -0.02 0.00 0.00 57.16 56.23 3jyi n GLU 177 Cb 0.42 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 3jyi n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3jyi s ARG 178 N -2.21 4.30 -1.15 3.49 0.52 -1.26 -3.47 118.95 119.18 3jyi s ARG 178 Ca 0.33 2.27 -0.04 0.00 -0.52 0.00 0.00 55.73 57.77 3jyi s ARG 178 Cb 0.20 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.59 3jyi s ARG 178 CO 0.41 -0.32 0.50 -0.25 0.02 0.00 0.00 175.30 175.66 3jyi n ASP 179 N 1.56 -5.01 -4.50 0.23 8.00 -1.14 -4.92 116.55 110.77 3jyi n ASP 179 Ca 0.03 -0.23 -0.24 0.00 0.71 0.00 0.00 54.79 55.06 3jyi n ASP 179 Cb 0.41 -3.84 -0.10 0.00 -0.02 0.00 0.00 41.12 37.57 3jyi n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3jyi s THR 180 N -3.04 2.59 0.31 -3.53 -4.23 -1.15 -1.55 115.64 105.05 3jyi s THR 180 Ca 0.25 -2.32 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 3jyi s THR 180 Cb -0.11 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 3jyi s THR 180 CO 0.30 -0.38 0.26 0.28 -0.54 0.00 0.00 174.62 174.54 3jyi s THR 181 N -2.49 0.01 0.06 3.99 -1.32 -0.59 -2.32 115.64 112.98 3jyi s THR 181 Ca 0.30 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.84 3jyi s THR 181 Cb -0.05 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 3jyi s THR 181 CO 0.16 0.00 -0.09 -0.04 -2.21 0.00 0.00 174.62 172.44 3jyi s MET 182 N -3.55 2.30 0.24 7.08 -1.94 -1.26 -1.28 119.30 120.89 3jyi s MET 182 Ca 0.40 -0.91 -0.05 0.00 -1.71 0.00 0.00 55.69 53.43 3jyi s MET 182 Cb 0.03 -2.38 0.44 0.00 2.01 0.00 0.00 34.83 34.93 3jyi s MET 182 CO 0.25 0.54 1.71 -1.35 -0.01 0.00 0.00 175.02 176.17 3jyi h PRO 183 N 3.97 0.34 -0.85 2.03 0.11 -1.69 -1.34 132.00 134.57 3jyi h PRO 183 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jyi h PRO 183 Cb 1.17 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3jyi h PRO 183 CO 0.53 0.23 0.55 0.00 -0.21 0.00 0.00 178.00 179.10 3jyi h ALA 184 N 1.56 1.09 0.35 -0.75 0.00 -1.48 -2.56 119.26 117.47 3jyi h ALA 184 Ca 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3jyi h ALA 184 Cb 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3jyi h ALA 184 CO -0.44 0.51 -0.17 0.00 0.00 0.00 0.00 179.25 179.15 3jyi h ALA 185 N 1.30 -0.47 -0.95 0.00 0.00 -1.55 -2.18 119.26 115.41 3jyi h ALA 185 Ca 0.31 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.24 3jyi h ALA 185 Cb -0.10 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 3jyi h ALA 185 CO -0.06 -0.57 0.53 1.98 0.00 0.00 0.00 179.25 181.12 3jyi h MET 186 N -0.86 0.58 -0.03 0.00 -1.53 -1.29 0.29 114.93 112.09 3jyi h MET 186 Ca -0.05 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.15 3jyi h MET 186 Cb 0.53 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.45 3jyi h MET 186 CO 0.08 0.38 -0.09 0.00 0.14 0.00 0.00 176.91 177.42 3jyi h ALA 187 N 1.67 0.05 -0.77 0.39 0.00 -1.49 0.29 119.26 119.40 3jyi h ALA 187 Ca 0.58 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3jyi h ALA 187 Cb 1.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3jyi h ALA 187 CO -0.44 -0.07 0.51 1.15 0.00 0.00 0.00 179.25 180.40 3jyi h THR 188 N -0.45 1.09 0.03 0.00 2.02 -0.69 -1.17 112.91 113.74 3jyi h THR 188 Ca -0.00 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 3jyi h THR 188 Cb 0.71 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3jyi h THR 188 CO 0.02 0.17 -0.01 0.74 0.37 0.00 0.00 175.52 176.80 3jyi h THR 189 N 0.91 1.40 -0.96 3.16 2.02 -0.31 -2.44 112.91 116.69 3jyi h THR 189 Ca 0.32 -1.49 0.15 0.00 0.77 0.00 0.00 66.41 66.16 3jyi h THR 189 Cb 0.11 2.37 -0.08 0.00 -1.74 0.00 0.00 68.15 68.81 3jyi h THR 189 CO -0.10 0.37 0.60 0.25 0.37 0.00 0.00 175.52 177.02 3jyi h LEU 190 N -0.70 0.75 -0.40 2.58 5.85 -0.25 -1.54 115.31 121.59 3jyi h LEU 190 Ca -0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3jyi h LEU 190 Cb 0.64 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3jyi h LEU 190 CO 0.01 0.35 0.21 -0.09 -0.34 0.00 0.00 178.44 178.57 3jyi h ARG 191 N 0.78 0.56 -0.93 1.25 2.43 -1.18 -0.70 114.38 116.59 3jyi h ARG 191 Ca 0.50 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 3jyi h ARG 191 Cb 0.74 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 3jyi h ARG 191 CO -0.26 0.47 0.54 0.87 -1.51 0.00 0.00 179.97 180.08 3jyi h LYS 192 N 0.51 1.27 -0.44 0.20 1.57 -0.80 -0.12 116.57 118.75 3jyi h LYS 192 Ca 0.14 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3jyi h LYS 192 Cb 0.08 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3jyi h LYS 192 CO -0.02 0.90 0.09 -0.07 -0.57 0.00 0.00 179.45 179.78 3jyi h LEU 193 N 1.29 0.69 0.00 2.94 4.07 -1.19 -0.34 115.31 122.77 3jyi h LEU 193 Ca 0.33 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3jyi h LEU 193 Cb -0.03 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3jyi h LEU 193 CO -0.06 0.76 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.63 3jyi h LEU 194 N 0.59 0.00 0.00 1.67 3.38 -0.82 -3.42 115.31 116.71 3jyi h LEU 194 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3jyi h LEU 194 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jyi h LEU 194 CO 0.01 0.01 -0.37 0.41 0.09 0.00 0.00 178.44 178.58 3jyi n THR 195 N -2.86 0.00 -1.35 0.22 -1.04 -0.08 -4.89 114.28 104.27 3jyi n THR 195 Ca 0.03 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.95 3jyi n THR 195 Cb 0.53 -0.36 0.06 0.00 -1.82 0.00 0.00 70.33 68.73 3jyi n THR 195 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jyi n GLY 196 N 1.43 -1.12 0.68 3.41 0.00 -0.14 -4.96 105.19 104.49 3jyi n GLY 196 Ca 0.00 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.40 3jyi n GLY 196 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3jyi n GLU 197 N -1.85 1.86 -0.05 1.61 4.07 -1.26 -4.34 120.64 120.68 3jyi n GLU 197 Ca 0.05 -1.33 -0.11 0.00 -0.06 0.00 0.00 57.16 55.71 3jyi n GLU 197 Cb 0.18 -1.35 -0.05 0.00 -0.06 0.00 0.00 31.44 30.16 3jyi n GLU 197 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3jyi h LEU 198 N 2.35 0.27 -9.85 4.31 5.85 -1.92 -3.43 115.31 112.90 3jyi h LEU 198 Ca 0.00 -0.19 -0.55 0.00 0.84 0.00 0.00 57.88 57.98 3jyi h LEU 198 Cb 0.53 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 3jyi h LEU 198 CO 0.00 0.38 -0.54 -0.76 -0.34 0.00 0.00 178.44 177.18 3jyi s LEU 199 N -9.78 3.88 0.76 2.25 1.02 -1.26 -4.97 118.68 110.57 3jyi s LEU 199 Ca -0.14 -0.12 -0.12 0.00 0.02 0.00 0.00 54.13 53.77 3jyi s LEU 199 Cb 0.07 -2.46 0.05 0.00 0.02 0.00 0.00 46.19 43.87 3jyi s LEU 199 CO 0.71 0.03 1.11 0.42 0.02 0.00 0.00 176.35 178.64 3jyi s THR 200 N -1.86 3.15 0.35 5.49 -4.23 -1.26 -4.71 115.64 112.58 3jyi s THR 200 Ca 0.32 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 3jyi s THR 200 Cb -0.10 -2.87 0.20 0.00 1.34 0.00 0.00 72.50 71.07 3jyi s THR 200 CO 0.24 -0.44 1.93 0.17 -0.54 0.00 0.00 174.62 175.99 3jyi h LEU 201 N -0.87 0.53 -1.43 4.79 8.10 -1.97 0.13 115.31 124.59 3jyi h LEU 201 Ca -0.44 -0.07 0.02 0.00 0.11 0.00 0.00 57.88 57.50 3jyi h LEU 201 Cb 1.24 -0.14 -0.03 0.00 -0.44 0.00 0.00 40.66 41.29 3jyi h LEU 201 CO 0.51 0.52 0.40 0.00 -4.11 0.00 0.00 178.44 175.76 3jyi h ALA 202 N 1.56 1.62 0.01 0.17 0.00 -1.99 -0.42 119.26 120.21 3jyi h ALA 202 Ca 0.14 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3jyi h ALA 202 Cb 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3jyi h ALA 202 CO -0.01 0.33 -0.70 0.77 0.00 0.00 0.00 179.25 179.65 3jyi h SER 203 N 0.77 0.60 -0.52 0.00 0.02 -1.42 -2.01 113.55 110.99 3jyi h SER 203 Ca 0.23 -0.76 0.09 0.00 -0.84 0.00 0.00 61.79 60.51 3jyi h SER 203 Cb -0.01 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.27 3jyi h SER 203 CO -0.06 1.29 0.10 0.03 -1.14 0.00 0.00 176.83 177.05 3jyi h ARG 204 N -0.02 0.22 -0.58 3.45 3.08 -0.63 -0.75 114.38 119.15 3jyi h ARG 204 Ca -0.09 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3jyi h ARG 204 Cb 1.40 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 3jyi h ARG 204 CO 0.14 0.15 0.35 0.37 -1.07 0.00 0.00 179.97 179.91 3jyi h GLN 205 N 0.23 0.78 -0.68 0.04 5.75 -1.09 -2.20 115.11 117.93 3jyi h GLN 205 Ca 0.26 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.64 3jyi h GLN 205 Cb 0.37 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3jyi h GLN 205 CO -0.35 0.56 0.19 0.37 -2.65 0.00 0.00 178.83 176.95 3jyi h GLN 206 N 0.78 1.07 0.34 1.69 5.75 -0.74 0.79 115.11 124.79 3jyi h GLN 206 Ca 0.21 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3jyi h GLN 206 Cb -0.03 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.38 3jyi h GLN 206 CO -0.04 0.94 -0.16 1.25 -2.65 0.00 0.00 178.83 178.17 3jyi h LEU 207 N 1.01 -0.39 -0.90 -2.39 5.85 -0.91 -1.63 115.31 115.95 3jyi h LEU 207 Ca 0.22 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3jyi h LEU 207 Cb 0.33 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3jyi h LEU 207 CO -0.00 -0.27 -0.26 -0.29 -0.34 0.00 0.00 178.44 177.28 3jyi h ILE 208 N -0.47 1.27 -0.82 4.05 2.10 -1.27 -2.19 117.51 120.18 3jyi h ILE 208 Ca -0.05 -1.29 0.06 0.00 1.08 0.00 0.00 64.86 64.66 3jyi h ILE 208 Cb 0.36 1.35 -0.05 0.00 -1.09 0.00 0.00 36.82 37.39 3jyi h ILE 208 CO 0.08 0.41 0.53 0.44 -1.08 0.00 0.00 178.15 178.53 3jyi h ASP 209 N 0.45 0.81 -0.25 2.19 3.32 -0.64 0.09 116.42 122.38 3jyi h ASP 209 Ca 0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3jyi h ASP 209 Cb 0.69 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3jyi h ASP 209 CO 0.05 0.53 -0.42 -0.50 -1.72 0.00 0.00 179.24 177.18 3jyi h TRP 210 N 0.93 0.91 -0.27 4.55 6.55 -0.70 -2.69 115.95 125.22 3jyi h TRP 210 Ca 0.34 -0.32 -0.03 0.00 0.95 0.00 0.00 58.89 59.84 3jyi h TRP 210 Cb 0.18 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 3jyi h TRP 210 CO -0.00 1.10 0.06 0.52 -1.05 0.00 0.00 178.44 179.07 3jyi h MET 211 N 0.47 0.44 -0.66 0.49 2.86 -1.03 -2.37 114.93 115.13 3jyi h MET 211 Ca 0.02 -0.11 0.17 0.00 -2.06 0.00 0.00 59.70 57.72 3jyi h MET 211 Cb 1.02 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 3jyi h MET 211 CO 0.10 0.54 0.46 1.49 1.06 0.00 0.00 176.91 180.55 3jyi h GLU 212 N 0.27 0.14 -0.18 1.72 4.81 -0.98 -0.37 114.58 120.00 3jyi h GLU 212 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3jyi h GLU 212 Cb 0.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3jyi h GLU 212 CO 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 179.01 178.37 3jyi n ALA 213 N -2.61 2.49 -1.66 2.92 0.00 -0.90 -4.87 120.51 115.89 3jyi n ALA 213 Ca 0.13 -0.37 -0.58 0.00 0.00 0.00 0.00 53.44 52.61 3jyi n ALA 213 Cb 0.63 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 3jyi n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3jyi n ASP 214 N 0.05 2.09 0.03 0.00 4.64 -0.16 -4.86 116.55 118.35 3jyi n ASP 214 Ca 0.10 0.99 0.11 0.00 -1.38 0.00 0.00 54.79 54.61 3jyi n ASP 214 Cb 0.20 -1.10 -0.05 0.00 -1.04 0.00 0.00 41.12 39.12 3jyi n ASP 214 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3jyi n LYS 215 N 5.66 0.44 0.00 -0.67 4.76 -0.64 -4.86 118.16 122.85 3jyi n LYS 215 Ca 0.31 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 3jyi n LYS 215 Cb 0.10 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3jyi n LYS 215 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3jyi n VAL 216 N -2.15 0.00 -0.89 -0.18 0.31 -1.23 -4.66 118.33 109.53 3jyi n VAL 216 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3jyi n VAL 216 Cb 0.49 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3jyi n VAL 216 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3jyi n ALA 217 N -3.00 0.00 -0.05 3.52 0.00 -1.26 -4.86 120.51 114.86 3jyi n ALA 217 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3jyi n ALA 217 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 3jyi n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jyi h GLY 218 N 0.00 0.08 1.63 0.00 0.00 -1.91 -2.25 103.07 100.62 3jyi h GLY 218 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3jyi h GLY 218 CO 0.00 -0.13 0.00 -1.05 0.00 0.00 0.00 176.54 175.36 3jyi n PRO 219 N -5.27 0.16 0.00 4.80 -0.02 -1.26 -2.90 135.00 130.50 3jyi n PRO 219 Ca -0.01 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3jyi n PRO 219 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3jyi n PRO 219 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jyi n LEU 220 N -1.32 0.00 -0.17 2.45 4.32 -0.85 -4.54 117.00 116.90 3jyi n LEU 220 Ca 0.06 0.00 0.21 0.00 -0.02 0.00 0.00 56.01 56.25 3jyi n LEU 220 Cb 0.11 0.00 0.59 0.00 -1.62 0.00 0.00 43.42 42.50 3jyi n LEU 220 CO 0.10 0.00 1.22 -0.07 -1.22 0.00 0.00 177.39 177.42 3jyi h LEU 221 N 0.00 0.24 -1.60 2.23 4.07 -1.84 -2.50 115.31 115.91 3jyi h LEU 221 Ca 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 3jyi h LEU 221 Cb 0.00 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3jyi h LEU 221 CO 0.00 0.11 -0.09 0.03 -1.08 0.00 0.00 178.44 177.41 3jyi h ARG 222 N 0.25 0.15 0.00 1.13 3.08 -1.75 -2.38 114.38 114.85 3jyi h ARG 222 Ca 0.40 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3jyi h ARG 222 Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3jyi h ARG 222 CO -0.09 0.25 0.00 -1.13 -1.07 0.00 0.00 179.97 177.92 3jyi n SER 223 N -4.36 0.00 -0.53 7.04 3.41 -0.94 -2.04 113.62 116.21 3jyi n SER 223 Ca -0.01 0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 3jyi n SER 223 Cb 0.21 -0.35 0.10 0.00 -0.26 0.00 0.00 64.21 63.91 3jyi n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyi n ALA 224 N -1.35 2.29 -2.72 7.33 0.00 -0.90 -4.99 120.51 120.17 3jyi n ALA 224 Ca 0.09 -0.92 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 3jyi n ALA 224 Cb 0.19 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 3jyi n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3jyi s LEU 225 N -0.95 4.23 0.75 0.00 2.96 -0.86 -4.68 118.68 120.13 3jyi s LEU 225 Ca 0.18 0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 3jyi s LEU 225 Cb 0.10 -2.41 0.04 0.00 0.50 0.00 0.00 46.19 44.43 3jyi s LEU 225 CO 0.14 0.06 1.09 -2.84 -1.32 0.00 0.00 176.35 173.48 3jyi s PRO 226 N 0.63 2.45 0.46 0.98 0.02 -1.26 -5.02 135.00 133.27 3jyi s PRO 226 Ca 0.17 0.69 -0.24 0.00 0.02 0.00 0.00 61.00 61.64 3jyi s PRO 226 Cb -0.13 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 3jyi s PRO 226 CO 0.05 -1.38 1.31 0.00 -0.33 0.00 0.00 177.00 176.65 3jyi s ALA 227 N -3.16 3.08 0.00 -1.55 0.00 -1.26 -3.21 121.76 115.66 3jyi s ALA 227 Ca 0.60 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3jyi s ALA 227 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3jyi s ALA 227 CO 0.54 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3jyi n GLY 228 N 0.63 3.47 3.79 0.00 0.00 -1.26 -5.00 105.19 106.81 3jyi n GLY 228 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3jyi n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3jyi s TRP 229 N -2.99 3.74 0.01 1.61 0.52 -1.20 0.95 118.94 121.58 3jyi s TRP 229 Ca 0.00 1.68 -0.19 0.00 0.02 0.00 0.00 56.10 57.61 3jyi s TRP 229 Cb 0.00 -2.83 -0.06 0.00 -1.15 0.00 0.00 33.47 29.43 3jyi s TRP 229 CO 0.00 0.31 0.55 0.12 0.02 0.00 0.00 176.95 177.95 3jyi s PHE 230 N -1.49 3.71 -0.10 -1.98 5.36 0.15 -4.73 117.98 118.90 3jyi s PHE 230 Ca 0.46 1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 57.55 3jyi s PHE 230 Cb -0.19 -2.53 0.05 0.00 -0.34 0.00 0.00 43.02 40.00 3jyi s PHE 230 CO 0.24 0.45 0.21 -1.50 -1.46 0.00 0.00 175.22 173.16 3jyi s ILE 231 N -0.51 -0.14 -0.14 3.12 2.07 -1.26 -1.27 121.20 123.06 3jyi s ILE 231 Ca 0.29 0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.75 3jyi s ILE 231 Cb -0.18 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.07 3jyi s ILE 231 CO 0.17 0.09 -0.19 0.00 -1.91 0.00 0.00 174.94 173.09 3jyi s ALA 232 N 1.57 2.37 0.22 1.50 0.00 0.57 -4.36 121.76 123.64 3jyi s ALA 232 Ca -0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 3jyi s ALA 232 Cb -0.11 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3jyi s ALA 232 CO -0.07 -0.00 0.50 0.16 0.00 0.00 0.00 175.76 176.34 3jyi s ASP 233 N 0.77 -0.15 -0.10 0.00 -4.77 -1.13 -0.53 116.67 110.77 3jyi s ASP 233 Ca -0.07 -0.74 -0.04 0.00 -3.30 0.00 0.00 52.55 48.40 3jyi s ASP 233 Cb -0.16 0.58 0.05 0.00 -1.09 0.00 0.00 42.92 42.31 3jyi s ASP 233 CO -0.00 -1.11 0.21 -0.75 0.70 0.00 0.00 175.17 174.22 3jyi s LYS 234 N -3.95 0.13 0.39 2.11 2.47 -0.58 -4.68 119.74 115.64 3jyi s LYS 234 Ca 0.16 0.54 0.06 0.00 -1.56 0.00 0.00 55.97 55.17 3jyi s LYS 234 Cb -0.01 -0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.22 3jyi s LYS 234 CO 0.04 -0.21 0.55 -1.54 0.16 0.00 0.00 175.35 174.34 3jyi s SER 235 N 1.63 5.79 -0.09 1.43 1.04 -1.26 -1.45 113.70 120.79 3jyi s SER 235 Ca -0.05 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 3jyi s SER 235 Cb -0.11 -1.01 0.02 0.00 0.10 0.00 0.00 66.02 65.02 3jyi s SER 235 CO -0.07 -0.63 0.25 -0.83 0.98 0.00 0.00 173.24 172.93 3jyi s GLY 236 N -4.26 -0.18 0.11 7.32 0.00 0.17 -3.93 107.32 106.55 3jyi s GLY 236 Ca 0.50 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.97 3jyi s GLY 236 CO 0.33 0.59 -0.15 0.00 0.00 0.00 0.00 173.10 173.87 3jyi s ALA 237 N 0.10 1.47 0.28 3.20 0.00 -1.26 -1.21 121.76 124.33 3jyi s ALA 237 Ca -0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 3jyi s ALA 237 Cb -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3jyi s ALA 237 CO 0.00 0.13 0.49 0.41 0.00 0.00 0.00 175.76 176.79 3jyi n GLY 238 N 0.68 1.73 3.79 0.00 0.00 -0.69 -4.46 105.19 106.24 3jyi n GLY 238 Ca -0.17 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 3jyi n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jyi s GLU 239 N -2.29 2.09 -1.29 1.61 2.56 -0.25 -3.48 118.70 117.65 3jyi s GLU 239 Ca 0.16 0.75 -0.02 0.00 0.00 0.00 0.00 54.97 55.86 3jyi s GLU 239 Cb -0.02 -1.91 -0.00 0.00 2.00 0.00 0.00 34.13 34.19 3jyi s GLU 239 CO 0.12 -1.65 0.69 0.54 -0.56 0.00 0.00 175.26 174.40 3jyi n ARG 240 N -3.47 -4.43 -1.67 4.30 1.74 -1.26 -2.37 116.66 109.51 3jyi n ARG 240 Ca 0.07 0.60 -0.20 0.00 -0.77 0.00 0.00 57.85 57.55 3jyi n ARG 240 Cb 0.55 -5.08 -0.08 0.00 -1.02 0.00 0.00 32.46 26.84 3jyi n ARG 240 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jyi n GLY 241 N -1.60 1.66 3.75 -0.13 0.00 -1.18 -0.95 105.19 106.75 3jyi n GLY 241 Ca -0.28 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3jyi n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyi s SER 242 N -2.72 7.08 -0.01 1.61 0.01 -1.00 -4.25 113.70 114.43 3jyi s SER 242 Ca 0.00 2.33 -0.29 0.00 1.31 0.00 0.00 55.95 59.31 3jyi s SER 242 Cb 0.00 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.69 3jyi s SER 242 CO 0.00 -0.33 0.71 -0.60 0.41 0.00 0.00 173.24 173.43 3jyi s ARG 243 N -0.90 1.05 -0.08 12.44 6.06 -0.08 -1.70 118.95 135.74 3jyi s ARG 243 Ca 0.50 0.03 -0.32 0.00 -2.50 0.00 0.00 55.73 53.43 3jyi s ARG 243 Cb -0.34 0.49 0.14 0.00 0.06 0.00 0.00 34.95 35.30 3jyi s ARG 243 CO 0.41 -0.37 1.41 0.20 -2.50 0.00 0.00 175.30 174.44 3jyi s GLY 244 N -1.65 -0.48 -0.17 8.12 0.00 -0.35 -0.55 107.32 112.25 3jyi s GLY 244 Ca -0.06 0.89 -0.28 0.00 0.00 0.00 0.00 44.72 45.27 3jyi s GLY 244 CO 0.02 0.33 0.71 -1.50 0.00 0.00 0.00 173.10 172.66 3jyi s ILE 245 N -2.11 0.00 0.13 0.90 2.07 0.22 -0.65 121.20 121.76 3jyi s ILE 245 Ca 0.15 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.49 3jyi s ILE 245 Cb 0.07 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 3jyi s ILE 245 CO -0.06 0.00 -0.23 0.27 -1.91 0.00 0.00 174.94 173.00 3jyi s ILE 246 N -0.38 2.01 -0.14 2.00 -4.36 -0.53 -1.20 121.20 118.60 3jyi s ILE 246 Ca -0.05 -1.71 -0.29 0.00 -0.26 0.00 0.00 60.65 58.33 3jyi s ILE 246 Cb -0.03 -1.82 0.09 0.00 1.25 0.00 0.00 42.46 41.96 3jyi s ILE 246 CO 0.05 -0.03 0.81 0.00 0.24 0.00 0.00 174.94 176.01 3jyi s ALA 247 N -1.25 -1.84 -0.18 2.27 0.00 -0.57 -1.52 121.76 118.67 3jyi s ALA 247 Ca 0.12 1.56 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 3jyi s ALA 247 Cb -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3jyi s ALA 247 CO 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 175.76 175.44 3jyi s ALA 248 N -0.78 2.91 0.13 0.00 0.00 0.31 -1.27 121.76 123.07 3jyi s ALA 248 Ca -0.05 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 3jyi s ALA 248 Cb -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 3jyi s ALA 248 CO 0.05 -0.02 0.16 -0.48 0.00 0.00 0.00 175.76 175.47 3jyi s LEU 249 N 0.77 1.45 -0.23 0.00 2.34 -0.75 -0.32 118.68 121.95 3jyi s LEU 249 Ca -0.02 -0.99 -0.37 0.00 0.06 0.00 0.00 54.13 52.81 3jyi s LEU 249 Cb -0.15 0.74 0.15 0.00 -0.56 0.00 0.00 46.19 46.38 3jyi s LEU 249 CO 0.02 -0.79 1.38 -0.83 -1.06 0.00 0.00 176.35 175.07 3jyi s GLY 250 N -2.99 -0.28 0.69 -3.48 0.00 -0.40 -1.18 107.32 99.69 3jyi s GLY 250 Ca 0.18 1.64 -0.11 0.00 0.00 0.00 0.00 44.72 46.43 3jyi s GLY 250 CO -0.01 0.51 1.08 2.56 0.00 0.00 0.00 173.10 177.24 3jyi s PRO 251 N -2.08 2.98 -1.33 2.90 0.05 -1.23 0.33 135.00 136.62 3jyi s PRO 251 Ca 0.12 0.48 -0.02 0.00 0.05 0.00 0.00 61.00 61.63 3jyi s PRO 251 Cb 0.01 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.52 3jyi s PRO 251 CO -0.03 -0.95 0.33 -0.25 0.05 0.00 0.00 177.00 176.15 3jyi n ASP 252 N -2.95 -5.18 0.00 6.66 8.00 -1.10 -2.93 116.55 119.05 3jyi n ASP 252 Ca 0.07 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3jyi n ASP 252 Cb 0.57 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 3jyi n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jyi n GLY 253 N -1.26 0.23 3.22 0.44 0.00 0.27 -4.95 105.19 103.14 3jyi n GLY 253 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 3jyi n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jyi s LYS 254 N -1.12 1.33 0.35 1.61 1.02 -1.15 -4.62 119.74 117.17 3jyi s LYS 254 Ca 0.00 -0.87 -0.21 0.00 0.02 0.00 0.00 55.97 54.91 3jyi s LYS 254 Cb 0.00 -1.41 -0.10 0.00 -0.52 0.00 0.00 37.83 35.80 3jyi s LYS 254 CO 0.00 0.36 0.87 -1.25 -0.92 0.00 0.00 175.35 174.41 3jyi s PRO 255 N -1.06 4.27 0.00 -1.68 0.04 -1.26 -3.49 135.00 131.82 3jyi s PRO 255 Ca 0.06 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3jyi s PRO 255 Cb -0.08 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3jyi s PRO 255 CO 0.01 0.15 0.00 -1.13 0.04 0.00 0.00 177.00 176.07 3jyi n SER 256 N -0.09 0.00 -4.07 6.66 3.41 -0.32 -4.85 113.62 114.36 3jyi n SER 256 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 3jyi n SER 256 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3jyi n SER 256 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3jyi s ARG 257 N 0.00 0.55 -0.13 4.33 0.52 -0.89 -1.40 118.95 121.92 3jyi s ARG 257 Ca 0.00 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 3jyi s ARG 257 Cb 0.00 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 3jyi s ARG 257 CO 0.00 0.04 -0.02 0.42 0.02 0.00 0.00 175.30 175.76 3jyi s ILE 258 N -1.59 4.12 -0.07 1.52 1.01 0.03 -1.81 121.20 124.41 3jyi s ILE 258 Ca -0.08 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3jyi s ILE 258 Cb -0.09 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 3jyi s ILE 258 CO -0.00 0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.57 3jyi s VAL 259 N -0.14 1.79 -0.06 2.92 1.01 -0.40 0.10 120.40 125.62 3jyi s VAL 259 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3jyi s VAL 259 Cb -0.13 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3jyi s VAL 259 CO 0.02 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.79 3jyi s VAL 260 N 0.20 1.26 -0.03 2.92 1.01 -0.78 -1.52 120.40 123.47 3jyi s VAL 260 Ca -0.11 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3jyi s VAL 260 Cb -0.15 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3jyi s VAL 260 CO 0.05 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.88 3jyi s ILE 261 N 0.46 0.36 -0.03 2.22 1.01 -0.35 -1.86 121.20 123.01 3jyi s ILE 261 Ca -0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3jyi s ILE 261 Cb -0.15 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.94 3jyi s ILE 261 CO 0.04 0.17 0.08 -0.31 0.00 0.00 0.00 174.94 174.91 3jyi s TYR 262 N 0.73 -0.09 0.01 3.97 2.02 -0.71 -0.61 117.35 122.68 3jyi s TYR 262 Ca -0.08 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 3jyi s TYR 262 Cb -0.12 0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.46 3jyi s TYR 262 CO -0.01 -0.04 -0.02 -0.08 -1.57 0.00 0.00 175.55 173.83 3jyi s THR 263 N 0.04 0.09 -0.09 -0.71 -1.32 0.29 0.07 115.64 114.01 3jyi s THR 263 Ca -0.00 -0.61 -0.09 0.00 -1.21 0.00 0.00 61.69 59.78 3jyi s THR 263 Cb -0.01 -0.19 0.02 0.00 -1.51 0.00 0.00 72.50 70.82 3jyi s THR 263 CO 0.00 -0.32 0.25 0.28 -2.21 0.00 0.00 174.62 172.62 3jyi s THR 264 N -0.96 -0.00 0.00 5.08 -1.32 -1.24 -0.91 115.64 116.29 3jyi s THR 264 Ca -0.10 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 3jyi s THR 264 Cb -0.07 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 3jyi s THR 264 CO -0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 3jyi n GLY 265 N 2.96 1.36 3.71 6.08 0.00 -0.13 -3.88 105.19 115.30 3jyi n GLY 265 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3jyi n GLY 265 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jyi s SER 266 N -1.21 3.66 0.00 1.61 0.15 -1.25 -4.78 113.70 111.89 3jyi s SER 266 Ca 0.00 2.19 0.12 0.00 0.70 0.00 0.00 55.95 58.95 3jyi s SER 266 Cb 0.00 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 62.06 3jyi s SER 266 CO 0.00 -2.61 1.25 0.00 1.20 0.00 0.00 173.24 173.09 3jyi n GLN 267 N -3.55 2.74 -1.81 5.44 6.02 -1.26 -3.08 117.38 121.88 3jyi n GLN 267 Ca 0.12 -2.05 -0.32 0.00 -0.01 0.00 0.00 57.00 54.74 3jyi n GLN 267 Cb 0.52 -1.29 0.03 0.00 1.02 0.00 0.00 30.24 30.52 3jyi n GLN 267 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jyi s ALA 268 N -1.00 2.72 0.91 -1.58 0.00 -1.26 -5.02 121.76 116.52 3jyi s ALA 268 Ca 0.25 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 3jyi s ALA 268 Cb 0.13 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 20.15 3jyi s ALA 268 CO 0.17 -1.01 0.92 2.41 0.00 0.00 0.00 175.76 178.25 3jyi n THR 269 N -2.58 0.33 -0.09 0.00 -1.04 -1.26 -4.76 114.28 104.88 3jyi n THR 269 Ca 0.08 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.05 61.93 3jyi n THR 269 Cb 0.53 -0.91 0.01 0.00 -1.82 0.00 0.00 70.33 68.14 3jyi n THR 269 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3jyi h MET 270 N -1.63 0.22 -0.98 -2.82 4.05 -1.99 -1.27 114.93 110.52 3jyi h MET 270 Ca -0.44 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.11 3jyi h MET 270 Cb 1.28 -0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 31.94 3jyi h MET 270 CO 0.40 0.14 0.60 -0.44 0.23 0.00 0.00 176.91 177.84 3jyi h ASP 271 N 0.22 0.84 -0.11 1.39 3.32 -1.99 0.06 116.42 120.15 3jyi h ASP 271 Ca 0.15 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 3jyi h ASP 271 Cb 0.14 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3jyi h ASP 271 CO -0.17 0.41 -0.63 -0.33 -1.72 0.00 0.00 179.24 176.79 3jyi h GLU 272 N 0.89 0.72 -0.21 3.56 5.08 -1.77 -1.08 114.58 121.78 3jyi h GLU 272 Ca 0.51 -0.50 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3jyi h GLU 272 Cb 0.60 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3jyi h GLU 272 CO -0.30 1.13 -0.48 0.00 -1.00 0.00 0.00 179.01 178.36 3jyi h ARG 273 N 0.53 0.54 0.17 2.33 3.08 -0.79 -2.76 114.38 117.48 3jyi h ARG 273 Ca -0.01 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.75 3jyi h ARG 273 Cb 1.22 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 3jyi h ARG 273 CO 0.13 0.90 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.72 3jyi h ASN 274 N 0.43 -0.84 -0.75 7.04 2.35 -0.85 -2.75 115.58 120.21 3jyi h ASN 274 Ca 0.02 0.09 0.12 0.00 -0.55 0.00 0.00 56.30 55.99 3jyi h ASN 274 Cb 0.99 0.31 -0.09 0.00 0.05 0.00 0.00 38.32 39.59 3jyi h ASN 274 CO 0.09 -0.40 0.34 -0.09 -1.65 0.00 0.00 177.43 175.72 3jyi h ARG 275 N -0.55 0.51 -0.09 0.81 2.43 -1.08 0.13 114.38 116.54 3jyi h ARG 275 Ca 0.02 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3jyi h ARG 275 Cb 0.56 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3jyi h ARG 275 CO -0.14 0.34 -0.27 1.96 -1.51 0.00 0.00 179.97 180.35 3jyi h GLN 276 N 0.53 0.17 0.18 0.20 1.08 -1.44 -0.90 115.11 114.92 3jyi h GLN 276 Ca 0.40 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.53 3jyi h GLN 276 Cb 0.54 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3jyi h GLN 276 CO -0.35 0.43 -0.08 0.82 -0.95 0.00 0.00 178.83 178.70 3jyi h ILE 277 N 0.15 0.94 -0.99 2.54 1.08 -0.74 -2.73 117.51 117.75 3jyi h ILE 277 Ca 0.02 -0.87 0.10 0.00 -0.39 0.00 0.00 64.86 63.73 3jyi h ILE 277 Cb 0.57 1.43 -0.08 0.00 -3.07 0.00 0.00 36.82 35.67 3jyi h ILE 277 CO 0.04 0.19 0.62 0.00 -0.69 0.00 0.00 178.15 178.31 3jyi h ALA 278 N 0.00 1.45 -0.02 1.87 0.00 -0.83 -1.20 119.26 120.53 3jyi h ALA 278 Ca -0.02 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3jyi h ALA 278 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3jyi h ALA 278 CO 0.04 0.28 -0.51 0.93 0.00 0.00 0.00 179.25 179.98 3jyi h GLU 279 N 1.03 0.06 -0.66 0.00 5.08 -1.19 0.70 114.58 119.59 3jyi h GLU 279 Ca 0.47 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.72 3jyi h GLU 279 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3jyi h GLU 279 CO -0.24 0.56 0.08 0.82 -1.00 0.00 0.00 179.01 179.23 3jyi h ILE 280 N 0.05 1.27 -0.09 3.13 2.04 -0.92 -2.30 117.51 120.68 3jyi h ILE 280 Ca -0.00 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3jyi h ILE 280 Cb 0.92 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3jyi h ILE 280 CO 0.07 0.40 0.03 1.23 0.00 0.00 0.00 178.15 179.88 3jyi h GLY 281 N 1.04 0.15 -0.27 5.37 0.00 -0.61 -1.28 103.07 107.47 3jyi h GLY 281 Ca 0.20 -0.09 0.27 0.00 0.00 0.00 0.00 47.33 47.71 3jyi h GLY 281 CO 0.02 0.08 0.57 0.00 0.00 0.00 0.00 176.54 177.21 3jyi h ALA 282 N 0.83 1.81 -0.12 3.60 0.00 -0.78 0.06 119.26 124.66 3jyi h ALA 282 Ca 0.03 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3jyi h ALA 282 Cb 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3jyi h ALA 282 CO -0.00 -0.37 -0.18 0.77 0.00 0.00 0.00 179.25 179.47 3jyi h SER 283 N 0.48 0.36 -0.92 0.00 0.02 -1.02 -0.65 113.55 111.83 3jyi h SER 283 Ca 0.67 -0.53 0.14 0.00 -0.84 0.00 0.00 61.79 61.23 3jyi h SER 283 Cb 1.35 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 3jyi h SER 283 CO -0.52 0.82 0.53 0.25 -1.14 0.00 0.00 176.83 176.77 3jyi h LEU 284 N -0.09 0.70 0.03 5.07 5.85 -0.18 -0.36 115.31 126.34 3jyi h LEU 284 Ca 0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3jyi h LEU 284 Cb 0.75 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3jyi h LEU 284 CO 0.04 0.31 -0.02 0.40 -0.34 0.00 0.00 178.44 178.84 3jyi h ILE 285 N 0.76 1.25 -0.97 4.05 2.04 -1.02 -2.80 117.51 120.81 3jyi h ILE 285 Ca 0.49 -1.74 0.27 0.00 1.00 0.00 0.00 64.86 64.88 3jyi h ILE 285 Cb 0.64 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.94 3jyi h ILE 285 CO -0.33 0.39 0.68 0.50 0.00 0.00 0.00 178.15 179.39 3jyi h LYS 286 N -0.92 0.11 -0.25 2.37 3.64 -0.94 -1.89 116.57 118.70 3jyi h LYS 286 Ca -0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3jyi h LYS 286 Cb 0.68 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 3jyi h LYS 286 CO 0.01 0.07 -0.15 0.72 -2.27 0.00 0.00 179.45 177.83 3jyi n HIS 287 N -4.33 0.79 0.00 1.91 8.25 -0.16 -5.08 115.22 116.60 3jyi n HIS 287 Ca 0.21 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.21 3jyi n HIS 287 Cb 0.97 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.68 3jyi n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85