#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 0.21 0.00 1.57 0.11 -1.97 0.24 132.00 132.16 3jyi h PRO 27 Ca 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 3jyi h PRO 27 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3jyi h PRO 27 CO 0.00 0.14 -0.66 0.93 -0.21 0.00 0.00 178.00 178.19 3jyi h GLU 28 N 0.21 0.00 -0.28 1.05 4.39 -1.99 -1.96 114.58 116.01 3jyi h GLU 28 Ca 0.72 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.31 3jyi h GLU 28 Cb 2.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.75 3jyi h GLU 28 CO -0.36 0.66 -0.24 1.15 -1.16 0.00 0.00 179.01 179.06 3jyi h THR 29 N 0.00 1.30 -0.80 1.13 2.02 -1.26 -2.42 112.91 112.89 3jyi h THR 29 Ca -0.01 -1.39 0.06 0.00 0.77 0.00 0.00 66.41 65.84 3jyi h THR 29 Cb 1.30 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 69.23 3jyi h THR 29 CO 0.09 0.44 0.49 0.25 0.37 0.00 0.00 175.52 177.16 3jyi h LEU 30 N 0.40 0.76 -0.61 2.58 5.85 -1.37 -0.32 115.31 122.60 3jyi h LEU 30 Ca 0.05 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3jyi h LEU 30 Cb 0.80 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3jyi h LEU 30 CO 0.06 0.49 0.38 0.58 -0.34 0.00 0.00 178.44 179.62 3jyi h VAL 31 N 0.90 1.08 -0.50 1.05 2.07 -1.27 -1.47 116.25 118.11 3jyi h VAL 31 Ca 0.35 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3jyi h VAL 31 Cb 0.15 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3jyi h VAL 31 CO -0.17 0.14 0.00 0.50 0.02 0.00 0.00 177.57 178.06 3jyi h LYS 32 N 0.75 0.83 0.16 1.57 1.63 -0.84 -1.40 116.57 119.27 3jyi h LYS 32 Ca 0.25 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3jyi h LYS 32 Cb 0.02 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3jyi h LYS 32 CO -0.10 0.83 -0.12 0.28 -3.45 0.00 0.00 179.45 176.89 3jyi h VAL 33 N 0.77 0.74 -0.84 2.00 2.07 -0.73 -0.07 116.25 120.20 3jyi h VAL 33 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 3jyi h VAL 33 Cb 0.46 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3jyi h VAL 33 CO 0.02 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.27 3jyi h LYS 34 N -0.28 0.87 -0.15 1.57 1.57 -1.07 0.59 116.57 119.66 3jyi h LYS 34 Ca -0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3jyi h LYS 34 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3jyi h LYS 34 CO -0.00 0.57 -0.23 0.22 -0.57 0.00 0.00 179.45 179.44 3jyi h ASP 35 N 0.89 0.25 0.02 0.86 3.58 -0.81 -2.60 116.42 118.61 3jyi h ASP 35 Ca 0.37 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 3jyi h ASP 35 Cb 0.27 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3jyi h ASP 35 CO -0.14 0.49 -0.17 0.00 -2.88 0.00 0.00 179.24 176.54 3jyi h ALA 36 N 1.53 1.37 -0.26 -0.78 0.00 0.10 -1.31 119.26 119.91 3jyi h ALA 36 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3jyi h ALA 36 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3jyi h ALA 36 CO 0.04 0.43 0.07 0.93 0.00 0.00 0.00 179.25 180.72 3jyi h GLU 37 N 0.28 0.41 -0.56 0.00 5.08 -1.07 -2.16 114.58 116.57 3jyi h GLU 37 Ca 0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3jyi h GLU 37 Cb 0.48 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3jyi h GLU 37 CO 0.03 0.49 0.30 -0.44 -1.00 0.00 0.00 179.01 178.39 3jyi h ASP 38 N 0.25 0.70 0.26 1.42 3.45 -1.25 0.25 116.42 121.50 3jyi h ASP 38 Ca 0.08 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 3jyi h ASP 38 Cb 0.26 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3jyi h ASP 38 CO -0.00 0.60 -0.31 1.56 -1.57 0.00 0.00 179.24 179.52 3jyi h GLN 39 N 0.75 0.07 0.00 3.56 1.08 -1.17 -3.20 115.11 116.21 3jyi h GLN 39 Ca 0.19 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 3jyi h GLN 39 Cb 0.06 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3jyi h GLN 39 CO -0.03 0.37 -1.96 1.28 -0.95 0.00 0.00 178.83 177.54 3jyi n LEU 40 N -4.15 0.04 -3.20 1.46 4.77 -0.82 -5.00 117.00 110.10 3jyi n LEU 40 Ca -0.02 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3jyi n LEU 40 Cb 0.37 0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3jyi n LEU 40 CO 0.39 0.00 0.14 0.61 -1.33 0.00 0.00 177.39 177.20 3jyi n GLY 41 N 1.27 -0.31 3.36 -0.72 0.00 0.85 -4.16 105.19 105.48 3jyi n GLY 41 Ca -0.04 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.31 -1.21 0.58 4.61 0.00 -1.15 -4.49 121.76 116.80 3jyi s ALA 42 Ca 0.17 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 3jyi s ALA 42 Cb -0.08 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3jyi s ALA 42 CO 0.65 -0.60 1.27 1.03 0.00 0.00 0.00 175.76 178.11 3jyi s ARG 43 N -3.17 2.98 -0.06 0.00 0.52 -1.25 -4.48 118.95 113.49 3jyi s ARG 43 Ca -0.01 1.99 0.01 0.00 -0.52 0.00 0.00 55.73 57.20 3jyi s ARG 43 Cb 0.00 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3jyi s ARG 43 CO -0.07 -1.24 -0.08 0.08 0.02 0.00 0.00 175.30 174.00 3jyi s VAL 44 N -1.46 0.83 -0.09 3.52 1.01 -1.26 -3.67 120.40 119.28 3jyi s VAL 44 Ca 0.76 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 3jyi s VAL 44 Cb -0.35 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3jyi s VAL 44 CO 0.39 0.29 0.07 -0.83 0.00 0.00 0.00 175.10 175.02 3jyi s GLY 45 N 0.87 2.01 -0.22 4.51 0.00 0.82 -4.55 107.32 110.76 3jyi s GLY 45 Ca -0.11 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 3jyi s GLY 45 CO 0.01 -0.52 0.52 -0.47 0.00 0.00 0.00 173.10 172.64 3jyi s TYR 46 N -1.00 -0.84 0.03 1.90 5.04 -0.20 -1.84 117.35 120.45 3jyi s TYR 46 Ca 0.16 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 3jyi s TYR 46 Cb -0.12 0.43 -0.03 0.00 0.35 0.00 0.00 41.96 42.60 3jyi s TYR 46 CO 0.05 -0.45 -0.04 -1.50 -1.34 0.00 0.00 175.55 172.27 3jyi s ILE 47 N 1.80 0.22 -0.14 3.14 2.07 -0.69 -0.54 121.20 127.06 3jyi s ILE 47 Ca -0.08 -1.23 -0.02 0.00 -1.41 0.00 0.00 60.65 57.90 3jyi s ILE 47 Cb -0.08 -0.73 0.05 0.00 0.13 0.00 0.00 42.46 41.83 3jyi s ILE 47 CO -0.15 -0.65 0.02 -0.70 -1.91 0.00 0.00 174.94 171.55 3jyi s GLU 48 N -2.28 0.69 -0.02 3.50 2.12 -0.39 -1.59 118.70 120.72 3jyi s GLU 48 Ca -0.07 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.06 3jyi s GLU 48 Cb -0.04 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 3jyi s GLU 48 CO -0.04 -0.50 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.61 3jyi s LEU 49 N 1.89 3.16 -0.10 2.70 1.43 0.16 -0.55 118.68 127.37 3jyi s LEU 49 Ca 0.02 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3jyi s LEU 49 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3jyi s LEU 49 CO -0.07 0.31 1.37 -0.62 0.23 0.00 0.00 176.35 177.57 3jyi s ASP 50 N -1.20 6.88 0.35 2.29 2.15 -0.34 -0.68 116.67 126.11 3jyi s ASP 50 Ca 0.15 1.90 0.03 0.00 0.43 0.00 0.00 52.55 55.07 3jyi s ASP 50 Cb -0.11 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.64 3jyi s ASP 50 CO 0.05 -0.77 1.99 0.25 -0.17 0.00 0.00 175.17 176.52 3jyi h LEU 51 N 9.47 0.71 0.00 -1.34 5.85 -1.42 0.47 115.31 129.05 3jyi h LEU 51 Ca -0.32 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3jyi h LEU 51 Cb 1.14 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3jyi h LEU 51 CO 0.95 0.49 -0.02 0.78 -0.34 0.00 0.00 178.44 180.30 3jyi h ASN 52 N 0.83 0.00 0.49 1.25 2.35 -1.91 -3.39 115.58 115.20 3jyi h ASN 52 Ca 0.27 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.93 3jyi h ASN 52 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3jyi h ASN 52 CO -0.07 0.14 -0.41 0.77 -1.65 0.00 0.00 177.43 176.21 3jyi h SER 53 N -0.26 0.00 0.00 5.81 4.64 -1.97 -3.46 113.55 118.31 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 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3jyi h SER 53 CO 0.00 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3jyi n GLY 54 N -0.22 0.91 3.76 -0.77 0.00 0.16 -5.01 105.19 104.03 3jyi n GLY 54 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.01 3.50 -0.20 1.61 2.20 -1.25 -4.55 119.74 121.03 3jyi s LYS 55 Ca 0.00 2.31 -0.29 0.00 -0.36 0.00 0.00 55.97 57.63 3jyi s LYS 55 Cb 0.00 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 3jyi s LYS 55 CO 0.00 -0.93 1.01 0.42 -0.36 0.00 0.00 175.35 175.49 3jyi s ILE 56 N -1.26 4.72 -0.11 5.43 1.01 -1.26 -1.20 121.20 128.53 3jyi s ILE 56 Ca 0.65 1.99 0.20 0.00 0.00 0.00 0.00 60.65 63.48 3jyi s ILE 56 Cb -0.41 -4.29 -0.24 0.00 0.01 0.00 0.00 42.46 37.52 3jyi s ILE 56 CO 0.52 -0.12 0.48 0.18 0.00 0.00 0.00 174.94 176.00 3jyi n LEU 57 N 5.95 0.25 -3.61 2.97 4.77 0.29 -4.98 117.00 122.64 3jyi n LEU 57 Ca 0.10 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 3jyi n LEU 57 Cb 0.47 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3jyi n LEU 57 CO 0.52 0.15 0.64 -0.70 -1.33 0.00 0.00 177.39 176.66 3jyi s GLU 58 N -3.10 0.68 0.03 3.23 2.56 -1.22 -4.28 118.70 116.59 3jyi s GLU 58 Ca -0.07 0.54 -0.26 0.00 0.00 0.00 0.00 54.97 55.18 3jyi s GLU 58 Cb 0.10 0.33 0.06 0.00 2.00 0.00 0.00 34.13 36.62 3jyi s GLU 58 CO 0.86 -0.13 0.60 -1.54 -0.56 0.00 0.00 175.26 174.49 3jyi s SER 59 N -0.23 -0.56 -0.24 -1.70 1.04 -1.26 -1.27 113.70 109.48 3jyi s SER 59 Ca -0.01 0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.71 3jyi s SER 59 Cb -0.03 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.73 3jyi s SER 59 CO -0.01 -0.73 0.51 0.12 0.98 0.00 0.00 173.24 174.11 3jyi s PHE 60 N -2.22 -1.03 -1.38 5.02 5.36 0.30 -4.89 117.98 119.14 3jyi s PHE 60 Ca -0.06 1.81 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 3jyi s PHE 60 Cb -0.01 0.49 0.02 0.00 -0.34 0.00 0.00 43.02 43.18 3jyi s PHE 60 CO 0.01 -0.57 0.70 0.54 -1.46 0.00 0.00 175.22 174.43 3jyi n ARG 61 N 5.41 -4.69 0.28 10.12 1.74 -1.26 -1.03 116.66 127.23 3jyi n ARG 61 Ca -0.09 0.57 0.13 0.00 -0.77 0.00 0.00 57.85 57.69 3jyi n ARG 61 Cb 0.49 -5.11 0.81 0.00 -1.02 0.00 0.00 32.46 27.63 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 -1.90 0.00 0.00 5.56 0.11 -1.90 -3.07 132.00 130.80 3jyi h PRO 62 Ca -0.61 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 3jyi h PRO 62 Cb 1.37 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 3jyi h PRO 62 CO 0.60 0.04 -0.25 0.39 -0.21 0.00 0.00 178.00 178.58 3jyi n GLU 63 N -3.90 1.24 -3.58 1.05 1.02 -1.26 -0.95 120.64 114.26 3jyi n GLU 63 Ca -0.03 -2.69 -0.23 0.00 -0.02 0.00 0.00 57.16 54.19 3jyi n GLU 63 Cb 0.13 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.67 3.47 -0.08 3.49 2.02 -1.16 -5.00 118.70 118.76 3jyi s GLU 64 Ca 0.32 -0.47 -0.13 0.00 0.02 0.00 0.00 54.97 54.70 3jyi s GLU 64 Cb 0.30 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 3jyi s GLU 64 CO -0.01 0.25 0.33 1.03 0.02 0.00 0.00 175.26 176.87 3jyi s ARG 65 N -4.18 3.99 0.10 1.61 0.52 -1.26 -4.14 118.95 115.59 3jyi s ARG 65 Ca 0.38 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.85 3jyi s ARG 65 Cb -0.09 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3jyi s ARG 65 CO 0.34 0.51 -0.11 -0.06 0.02 0.00 0.00 175.30 175.99 3jyi s PHE 66 N -0.39 1.15 0.16 -0.53 0.08 -0.36 -4.97 117.98 113.12 3jyi s PHE 66 Ca 0.20 -0.61 -0.31 0.00 0.12 0.00 0.00 56.93 56.32 3jyi s PHE 66 Cb -0.14 -0.62 -0.11 0.00 -0.57 0.00 0.00 43.02 41.57 3jyi s PHE 66 CO 0.08 0.04 1.75 -2.14 -0.10 0.00 0.00 175.22 174.85 3jyi s PRO 67 N -2.67 4.14 0.20 0.24 0.02 -1.26 -1.60 135.00 134.07 3jyi s PRO 67 Ca 0.06 2.56 -0.09 0.00 0.02 0.00 0.00 61.00 63.54 3jyi s PRO 67 Cb -0.04 -3.33 0.12 0.00 0.02 0.00 0.00 34.50 31.26 3jyi s PRO 67 CO 0.01 -0.77 1.73 0.52 -0.33 0.00 0.00 177.00 178.16 3jyi h MET 68 N 7.65 1.10 0.00 5.54 2.86 -1.53 -3.47 114.93 127.08 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 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3jyi h MET 68 CO 0.95 0.94 0.00 -1.33 1.06 0.00 0.00 176.91 178.52 3jyi n MET 69 N -4.30 0.00 0.00 1.72 2.81 -1.26 -2.68 117.12 113.41 3jyi n MET 69 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3jyi n MET 69 Cb 0.22 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.73 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 -3.01 0.00 0.30 7.83 7.64 -1.26 -2.01 113.62 123.11 3jyi n SER 70 Ca 0.00 0.39 0.19 0.00 1.01 0.00 0.00 58.87 60.46 3jyi n SER 70 Cb 0.00 -0.39 1.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.16 0.00 0.44 2.02 -1.62 -1.67 112.91 112.24 3jyi h THR 71 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3jyi h THR 71 Cb 0.03 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3jyi h THR 71 CO 0.00 0.00 -0.28 2.19 0.37 0.00 0.00 175.52 177.80 3jyi h PHE 72 N 0.00 0.00 -0.08 3.16 -5.15 -1.60 -3.23 116.94 110.04 3jyi h PHE 72 Ca 0.02 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.82 3jyi h PHE 72 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.46 3jyi h PHE 72 CO 0.00 0.28 0.11 0.87 -2.00 0.00 0.00 178.31 177.57 3jyi h LYS 73 N 0.00 0.00 -0.08 6.09 1.57 -1.55 0.20 116.57 122.80 3jyi h LYS 73 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3jyi h LYS 73 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3jyi h LYS 73 CO 0.04 0.00 -0.25 0.28 -0.57 0.00 0.00 179.45 178.94 3jyi h VAL 74 N 0.00 1.42 -0.95 0.50 2.07 -1.76 -2.45 116.25 115.07 3jyi h VAL 74 Ca 0.04 -1.63 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3jyi h VAL 74 Cb 0.26 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 3jyi h VAL 74 CO -0.00 0.46 0.61 -0.07 0.02 0.00 0.00 177.57 178.60 3jyi h LEU 75 N -0.18 0.90 0.54 2.57 4.07 -0.91 -1.42 115.31 120.89 3jyi h LEU 75 Ca -0.01 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 3jyi h LEU 75 Cb 0.88 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.46 3jyi h LEU 75 CO 0.05 0.54 -0.26 0.25 -1.08 0.00 0.00 178.44 177.94 3jyi h LEU 76 N 1.00 -0.61 -1.31 1.67 5.85 -0.81 -1.50 115.31 119.59 3jyi h LEU 76 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3jyi h LEU 76 Cb 0.35 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3jyi h LEU 76 CO -0.19 -0.41 0.00 0.00 -0.34 0.00 0.00 178.44 177.50 3jyi h GLY 78 N 1.42 0.85 1.00 0.00 0.00 -0.66 -1.88 103.07 103.80 3jyi h GLY 78 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 47.33 46.28 3jyi h GLY 78 CO 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 176.54 177.28 3jyi h ALA 79 N 0.67 0.57 -0.49 3.60 0.00 -0.02 -1.24 119.26 122.35 3jyi h ALA 79 Ca 0.02 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3jyi h ALA 79 Cb 1.03 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3jyi h ALA 79 CO 0.10 0.47 0.23 0.28 0.00 0.00 0.00 179.25 180.32 3jyi h VAL 80 N 0.63 0.93 -0.51 0.00 2.07 -1.21 -2.40 116.25 115.76 3jyi h VAL 80 Ca 0.10 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3jyi h VAL 80 Cb 0.66 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3jyi h VAL 80 CO 0.05 0.08 0.02 -0.07 0.02 0.00 0.00 177.57 177.66 3jyi h LEU 81 N 0.45 0.80 -1.52 2.57 3.38 -1.21 -1.65 115.31 118.13 3jyi h LEU 81 Ca 0.22 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3jyi h LEU 81 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3jyi h LEU 81 CO -0.17 0.86 0.43 -1.28 0.09 0.00 0.00 178.44 178.36 3jyi h SER 82 N 0.78 0.50 0.19 -0.43 0.87 -0.75 -0.77 113.55 113.94 3jyi h SER 82 Ca 0.15 0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.41 3jyi h SER 82 Cb 0.45 -0.10 0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3jyi h SER 82 CO 0.02 0.31 -1.33 0.03 -0.53 0.00 0.00 176.83 175.33 3jyi h ARG 83 N 0.56 0.59 -0.76 2.24 3.08 -0.99 -2.75 114.38 116.35 3jyi h ARG 83 Ca 0.29 -0.85 0.08 0.00 0.07 0.00 0.00 59.98 59.57 3jyi h ARG 83 Cb 0.41 0.30 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 3jyi h ARG 83 CO -0.09 1.40 0.43 0.28 -1.07 0.00 0.00 179.97 180.92 3jyi h VAL 84 N 0.23 0.93 0.00 2.04 2.07 -0.70 0.14 116.25 120.96 3jyi h VAL 84 Ca -0.21 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3jyi h VAL 84 Cb 2.00 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3jyi h VAL 84 CO 0.25 0.14 -0.02 0.44 0.02 0.00 0.00 177.57 178.40 3jyi h ASP 85 N 0.75 0.00 -0.60 0.57 3.32 -1.14 -2.80 116.42 116.52 3jyi h ASP 85 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3jyi h ASP 85 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3jyi h ASP 85 CO -0.22 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.32 3jyi n ALA 86 N -2.48 2.40 -1.62 3.45 0.00 0.32 -4.94 120.51 117.65 3jyi n ALA 86 Ca -0.03 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.20 3jyi n ALA 86 Cb 0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 1.53 0.70 0.52 0.00 0.00 -0.74 -4.91 105.19 102.30 3jyi n GLY 87 Ca 0.22 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.43 2.63 -3.54 1.61 6.02 -0.30 -5.00 117.38 116.37 3jyi n GLN 88 Ca -0.10 -1.87 -0.10 0.00 -0.01 0.00 0.00 57.00 54.92 3jyi n GLN 88 Cb 0.42 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 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 0.73 -0.07 -1.09 2.56 -1.23 -4.84 118.70 113.79 3jyi s GLU 89 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.07 3jyi s GLU 89 Cb 0.10 0.34 0.02 0.00 2.00 0.00 0.00 34.13 36.59 3jyi s GLU 89 CO 0.13 -0.28 -0.04 -0.65 -0.56 0.00 0.00 175.26 173.86 3jyi s GLN 90 N -2.18 0.93 0.52 4.30 -0.21 -1.26 -4.15 119.66 117.61 3jyi s GLN 90 Ca 0.01 -0.08 0.28 0.00 0.02 0.00 0.00 55.36 55.60 3jyi s GLN 90 Cb -0.01 -1.05 1.42 0.00 1.00 0.00 0.00 33.01 34.37 3jyi s GLN 90 CO -0.03 -0.18 1.92 -0.07 -2.12 0.00 0.00 175.29 174.80 3jyi h LEU 91 N 7.74 0.04 -0.01 2.90 4.07 -1.96 -0.06 115.31 128.03 3jyi h LEU 91 Ca -0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3jyi h LEU 91 Cb 1.14 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 3jyi h LEU 91 CO 0.39 0.02 -0.22 0.61 -1.08 0.00 0.00 178.44 178.16 3jyi n GLY 92 N -1.67 -1.37 3.75 0.83 0.00 -1.26 -1.15 105.19 104.32 3jyi n GLY 92 Ca 0.16 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3jyi n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3jyi n ARG 93 N -1.47 2.69 -4.23 1.61 0.63 -0.04 -4.76 116.66 111.10 3jyi n ARG 93 Ca 0.07 0.95 -0.35 0.00 -0.92 0.00 0.00 57.85 57.60 3jyi n ARG 93 Cb 0.33 -2.73 -0.09 0.00 0.45 0.00 0.00 32.46 30.42 3jyi n ARG 93 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3jyi s ARG 94 N -0.73 3.37 -0.07 -0.14 3.52 -1.26 -1.26 118.95 122.38 3jyi s ARG 94 Ca 0.63 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.91 3jyi s ARG 94 Cb -0.50 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3jyi s ARG 94 CO 0.51 0.55 -0.23 0.42 -0.81 0.00 0.00 175.30 175.74 3jyi s ILE 95 N -0.45 1.93 -0.02 4.11 1.01 0.84 -4.94 121.20 123.68 3jyi s ILE 95 Ca 0.09 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3jyi s ILE 95 Cb -0.12 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3jyi s ILE 95 CO 0.02 0.54 -0.08 -1.00 0.00 0.00 0.00 174.94 174.42 3jyi s HIS 96 N 0.02 2.87 0.27 3.97 3.76 -1.26 -1.30 115.29 123.61 3jyi s HIS 96 Ca -0.08 -0.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 3jyi s HIS 96 Cb -0.14 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 3jyi s HIS 96 CO 0.05 0.33 0.26 1.52 -0.85 0.00 0.00 174.74 176.05 3jyi s TYR 97 N -0.91 1.30 0.24 1.40 -0.85 -1.26 -5.07 117.35 112.21 3jyi s TYR 97 Ca 0.15 -1.42 0.09 0.00 -0.52 0.00 0.00 57.07 55.37 3jyi s TYR 97 Cb -0.11 -0.49 -0.04 0.00 0.38 0.00 0.00 41.96 41.70 3jyi s TYR 97 CO 0.05 -0.83 0.00 0.45 -1.52 0.00 0.00 175.55 173.70 3jyi s SER 98 N -3.24 4.63 0.38 -0.18 0.15 -1.26 -4.87 113.70 109.31 3jyi s SER 98 Ca 0.37 -0.57 0.17 0.00 0.70 0.00 0.00 55.95 56.63 3jyi s SER 98 Cb 0.04 -0.91 1.09 0.00 -1.71 0.00 0.00 66.02 64.53 3jyi s SER 98 CO 0.19 0.02 1.73 -0.61 1.20 0.00 0.00 173.24 175.77 3jyi h GLN 99 N 2.08 0.38 0.00 5.44 5.75 -1.98 0.19 115.11 126.97 3jyi h GLN 99 Ca -0.45 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3jyi h GLN 99 Cb 1.24 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.70 3jyi h GLN 99 CO 0.59 0.25 0.00 -1.71 -2.65 0.00 0.00 178.83 175.32 3jyi n ASN 100 N -4.73 0.09 0.01 -0.69 5.15 -1.26 -2.67 115.26 111.15 3jyi n ASN 100 Ca 0.28 0.52 -0.06 0.00 -0.60 0.00 0.00 54.58 54.72 3jyi n ASN 100 Cb 0.92 -0.54 -0.11 0.00 -0.53 0.00 0.00 39.78 39.52 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 -2.71 1.20 3.32 -1.35 -3.47 116.42 113.41 3jyi h ASP 101 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3jyi h ASP 101 Cb 0.23 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.85 3jyi h ASP 101 CO 0.00 0.86 0.86 0.18 -1.72 0.00 0.00 179.24 179.43 3jyi n LEU 102 N -3.05 3.72 0.00 1.55 4.32 -1.09 -4.91 117.00 117.55 3jyi n LEU 102 Ca -0.12 1.10 -0.16 0.00 -0.02 0.00 0.00 56.01 56.81 3jyi n LEU 102 Cb 0.97 -1.52 -0.02 0.00 -1.62 0.00 0.00 43.42 41.23 3jyi n LEU 102 CO 0.44 -0.05 -0.04 1.33 -1.22 0.00 0.00 177.39 177.86 3jyi n VAL 103 N 3.06 0.00 -1.67 4.08 0.24 -1.26 -5.07 118.33 117.71 3jyi n VAL 103 Ca 0.14 -1.27 -0.45 0.00 -2.04 0.00 0.00 64.34 60.73 3jyi n VAL 103 Cb 0.33 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.98 2.04 -2.80 7.34 2.13 -1.26 -4.05 120.64 123.06 3jyi n GLU 104 Ca -0.06 0.72 -0.06 0.00 0.66 0.00 0.00 57.16 58.43 3jyi n GLU 104 Cb 0.35 -2.37 0.01 0.00 0.27 0.00 0.00 31.44 29.70 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 1.77 -3.14 -3.16 4.31 9.36 -1.26 -4.59 117.16 120.45 3jyi n TYR 105 Ca 0.11 1.25 -0.23 0.00 3.32 0.00 0.00 57.90 62.35 3jyi n TYR 105 Cb 0.32 -3.92 -0.05 0.00 -0.63 0.00 0.00 39.34 35.06 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 -0.63 2.25 -0.27 2.98 7.64 -1.26 -1.89 113.62 122.43 3jyi n SER 106 Ca 0.09 -3.21 0.06 0.00 1.01 0.00 0.00 58.87 56.81 3jyi n SER 106 Cb 0.44 -0.62 0.20 0.00 -1.01 0.00 0.00 64.21 63.23 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 3.39 0.48 0.01 1.43 0.13 -1.95 -1.57 132.00 133.92 3jyi h PRO 107 Ca 0.12 -0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.85 3jyi h PRO 107 Cb 0.76 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.73 3jyi h PRO 107 CO 0.64 0.31 -2.30 1.55 -0.23 0.00 0.00 178.00 177.98 3jyi n VAL 108 N -4.97 1.49 0.11 1.56 3.14 -1.26 -4.45 118.33 113.96 3jyi n VAL 108 Ca 0.15 -0.73 -0.01 0.00 -2.96 0.00 0.00 64.34 60.79 3jyi n VAL 108 Cb 0.42 -0.99 0.26 0.00 -1.06 0.00 0.00 33.84 32.48 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 0.01 1.29 -0.66 1.55 1.35 -1.95 -2.39 112.91 112.11 3jyi h THR 109 Ca -0.51 -1.40 0.19 0.00 -0.55 0.00 0.00 66.41 64.14 3jyi h THR 109 Cb 2.08 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 70.10 3jyi h THR 109 CO 0.00 0.42 0.56 -0.33 -0.25 0.00 0.00 175.52 175.92 3jyi h GLU 110 N 0.17 0.00 -0.61 4.72 5.08 -1.50 -2.52 114.58 119.92 3jyi h GLU 110 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3jyi h GLU 110 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3jyi h GLU 110 CO 0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 3jyi n LYS 111 N -3.99 2.44 -2.74 2.33 5.02 -0.90 -4.30 118.16 116.02 3jyi n LYS 111 Ca 0.13 -2.23 -0.04 0.00 -2.02 0.00 0.00 58.31 54.16 3jyi n LYS 111 Cb 0.81 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.38 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 1.32 1.41 -0.03 2.13 8.25 -0.95 -4.87 115.22 122.47 3jyi n HIS 112 Ca 0.21 -2.24 -0.10 0.00 -0.26 0.00 0.00 57.72 55.33 3jyi n HIS 112 Cb 0.53 -0.26 0.05 0.00 1.12 0.00 0.00 29.99 31.43 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 2.62 0.72 0.03 2.41 3.38 -1.75 -0.69 115.31 122.03 3jyi h LEU 113 Ca -0.08 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3jyi h LEU 113 Cb 1.28 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.83 3jyi h LEU 113 CO 0.28 1.07 -0.40 0.71 0.09 0.00 0.00 178.44 180.20 3jyi h THR 114 N 0.53 1.57 0.00 0.22 1.35 -1.89 -3.39 112.91 111.30 3jyi h THR 114 Ca 0.03 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3jyi h THR 114 Cb 1.01 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 3jyi h THR 114 CO 0.09 0.60 -1.01 -0.90 -0.25 0.00 0.00 175.52 174.06 3jyi n ASP 115 N -4.39 0.72 -0.61 5.36 5.75 -1.25 -5.04 116.55 117.09 3jyi n ASP 115 Ca -0.11 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 3jyi n ASP 115 Cb 0.60 0.90 0.00 0.00 -1.03 0.00 0.00 41.12 41.60 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 1.45 -1.34 3.15 6.12 0.00 -0.27 -4.92 105.19 109.37 3jyi n GLY 116 Ca 0.03 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.59 0.59 1.61 -1.94 -0.42 -4.88 119.30 114.85 3jyi s MET 117 Ca 0.00 -0.51 -0.10 0.00 -1.71 0.00 0.00 55.69 53.37 3jyi s MET 117 Cb 0.00 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 37.04 3jyi s MET 117 CO 0.00 -0.16 0.98 0.95 -0.01 0.00 0.00 175.02 176.79 3jyi s THR 118 N -1.96 4.74 0.30 2.05 -4.23 -1.26 -0.11 115.64 115.17 3jyi s THR 118 Ca -0.10 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.23 3jyi s THR 118 Cb -0.04 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.23 3jyi s THR 118 CO -0.01 -1.07 1.84 0.58 -0.54 0.00 0.00 174.62 175.42 3jyi h VAL 119 N -0.15 0.88 -0.03 2.29 2.07 -1.07 0.16 116.25 120.41 3jyi h VAL 119 Ca -0.45 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3jyi h VAL 119 Cb 1.19 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3jyi h VAL 119 CO 0.62 0.16 -0.05 -0.09 0.02 0.00 0.00 177.57 178.23 3jyi h ARG 120 N 0.89 -0.08 -0.07 1.57 2.43 -1.42 -1.42 114.38 116.29 3jyi h ARG 120 Ca 0.49 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.61 3jyi h ARG 120 Cb 0.59 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3jyi h ARG 120 CO -0.26 -0.05 -0.22 0.93 -1.51 0.00 0.00 179.97 178.85 3jyi h GLU 121 N -0.08 0.12 -0.22 0.20 5.08 -1.62 -1.54 114.58 116.52 3jyi h GLU 121 Ca 0.03 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3jyi h GLU 121 Cb 0.12 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3jyi h GLU 121 CO -0.08 0.34 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.91 3jyi h LEU 122 N 0.11 0.63 -0.53 1.33 4.07 -0.69 -1.31 115.31 118.92 3jyi h LEU 122 Ca 0.02 -0.51 -0.11 0.00 0.08 0.00 0.00 57.88 57.36 3jyi h LEU 122 Cb 0.46 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3jyi h LEU 122 CO 0.03 1.02 -0.10 0.00 -1.08 0.00 0.00 178.44 178.31 3jyi h SER 124 N 0.88 0.38 -0.38 0.00 0.87 -1.33 -1.63 113.55 112.33 3jyi h SER 124 Ca 0.14 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3jyi h SER 124 Cb 0.67 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3jyi h SER 124 CO 0.05 0.27 -0.05 0.00 -0.53 0.00 0.00 176.83 176.57 3jyi h ALA 125 N 1.12 1.04 -0.11 6.23 0.00 -0.68 0.14 119.26 126.99 3jyi h ALA 125 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3jyi h ALA 125 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3jyi h ALA 125 CO -0.03 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 3jyi h ALA 126 N 1.21 0.16 0.12 0.00 0.00 -0.34 -1.59 119.26 118.81 3jyi h ALA 126 Ca 0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3jyi h ALA 126 Cb 0.52 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.29 3jyi h ALA 126 CO 0.03 -0.09 -0.72 0.82 0.00 0.00 0.00 179.25 179.29 3jyi h ILE 127 N -0.11 1.53 -0.03 0.00 2.04 -1.29 -1.86 117.51 117.80 3jyi h ILE 127 Ca 0.03 -2.50 -0.24 0.00 1.00 0.00 0.00 64.86 63.14 3jyi h ILE 127 Cb 0.47 3.21 0.01 0.00 -0.74 0.00 0.00 36.82 39.77 3jyi h ILE 127 CO 0.01 0.70 -0.94 0.74 0.00 0.00 0.00 178.15 178.66 3jyi h THR 128 N -0.47 1.32 -0.03 -0.27 2.02 -0.83 -3.34 112.91 111.32 3jyi h THR 128 Ca -0.13 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.80 3jyi h THR 128 Cb 1.55 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 3jyi h THR 128 CO 0.12 0.69 0.00 0.23 0.37 0.00 0.00 175.52 176.93 3jyi n MET 129 N -3.83 1.20 -2.17 6.66 2.81 -0.68 -1.55 117.12 119.56 3jyi n MET 129 Ca -0.09 -1.12 -0.14 0.00 -1.81 0.00 0.00 57.70 54.55 3jyi n MET 129 Cb 0.83 -1.04 -0.02 0.00 -0.71 0.00 0.00 33.22 32.28 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 -0.13 -4.09 -4.68 7.83 2.88 -0.70 -4.88 113.62 109.86 3jyi n SER 130 Ca 0.01 0.21 -0.46 0.00 -1.33 0.00 0.00 58.87 57.30 3jyi n SER 130 Cb 0.17 -3.53 -0.04 0.00 -0.75 0.00 0.00 64.21 60.05 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 -1.52 3.47 0.00 -3.46 4.64 -0.71 -4.93 116.55 114.04 3jyi n ASP 131 Ca -0.16 1.02 -0.17 0.00 -1.38 0.00 0.00 54.79 54.10 3jyi n ASP 131 Cb 0.58 -1.44 -0.12 0.00 -1.04 0.00 0.00 41.12 39.11 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 7.85 0.46 -0.85 1.67 2.35 -1.63 -3.00 115.58 122.44 3jyi h ASN 132 Ca -0.47 -0.79 -0.00 0.00 -0.55 0.00 0.00 56.30 54.49 3jyi h ASN 132 Cb 1.25 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.44 3jyi h ASN 132 CO 0.93 1.20 0.52 0.74 -1.65 0.00 0.00 177.43 179.16 3jyi h THR 133 N -0.22 1.23 -0.66 2.81 2.02 -1.85 -1.65 112.91 114.59 3jyi h THR 133 Ca -0.08 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 66.71 3jyi h THR 133 Cb 1.30 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.67 3jyi h THR 133 CO 0.11 0.24 0.28 0.00 0.37 0.00 0.00 175.52 176.52 3jyi h ALA 134 N 1.28 0.89 -0.38 6.16 0.00 -1.91 0.09 119.26 125.39 3jyi h ALA 134 Ca 0.31 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 3jyi h ALA 134 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3jyi h ALA 134 CO -0.06 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.11 3jyi h ALA 135 N 1.44 0.51 0.12 0.00 0.00 -1.26 -2.16 119.26 117.92 3jyi h ALA 135 Ca 0.34 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3jyi h ALA 135 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3jyi h ALA 135 CO -0.31 0.21 -0.17 -0.91 0.00 0.00 0.00 179.25 178.07 3jyi h ASN 136 N 0.48 -0.47 -0.89 0.00 2.35 -0.58 -0.15 115.58 116.32 3jyi h ASN 136 Ca 0.12 0.05 0.21 0.00 -0.55 0.00 0.00 56.30 56.13 3jyi h ASN 136 Cb 0.35 0.17 -0.12 0.00 0.05 0.00 0.00 38.32 38.77 3jyi h ASN 136 CO 0.01 -0.25 0.39 -0.07 -1.65 0.00 0.00 177.43 175.86 3jyi h LEU 137 N -0.35 0.33 -0.62 1.61 4.07 -0.94 0.42 115.31 119.84 3jyi h LEU 137 Ca 0.02 0.15 -0.15 0.00 0.08 0.00 0.00 57.88 57.98 3jyi h LEU 137 Cb 0.35 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3jyi h LEU 137 CO -0.08 0.02 -0.54 -0.07 -1.08 0.00 0.00 178.44 176.69 3jyi h LEU 138 N 0.41 0.46 -0.57 1.67 3.38 -0.87 -2.02 115.31 117.78 3jyi h LEU 138 Ca 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 3jyi h LEU 138 Cb 1.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3jyi h LEU 138 CO -0.51 0.91 0.25 -0.07 0.09 0.00 0.00 178.44 179.11 3jyi h LEU 139 N 0.32 0.76 -0.38 1.67 3.38 0.88 -2.43 115.31 119.51 3jyi h LEU 139 Ca 0.01 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3jyi h LEU 139 Cb 1.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 3jyi h LEU 139 CO 0.09 0.69 0.07 0.74 0.09 0.00 0.00 178.44 180.13 3jyi h THR 140 N 0.77 0.80 -0.93 0.22 2.02 -0.95 0.60 112.91 115.45 3jyi h THR 140 Ca 0.19 -0.07 0.32 0.00 0.77 0.00 0.00 66.41 67.63 3jyi h THR 140 Cb 0.15 0.59 -0.17 0.00 -1.74 0.00 0.00 68.15 66.99 3jyi h THR 140 CO -0.02 0.03 0.27 0.41 0.37 0.00 0.00 175.52 176.58 3jyi n THR 141 N -5.10 -0.39 0.56 3.16 -1.04 -0.78 -1.90 114.28 108.79 3jyi n THR 141 Ca 0.02 1.96 0.07 0.00 -2.04 0.00 0.00 64.05 64.06 3jyi n THR 141 Cb 0.17 -3.03 0.05 0.00 -1.82 0.00 0.00 70.33 65.70 3jyi n THR 141 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3jyi n ILE 142 N -5.23 0.00 0.00 12.58 -5.35 -0.80 -4.97 119.36 115.59 3jyi n ILE 142 Ca 0.29 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3jyi n ILE 142 Cb 0.96 1.26 0.00 0.00 -1.74 0.00 0.00 39.64 40.12 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 0.80 1.18 0.00 3.28 0.00 -0.59 -4.75 105.19 105.10 3jyi n GLY 143 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.73 -0.61 0.32 -0.02 0.00 0.20 -4.29 105.19 99.06 3jyi n GLY 144 Ca 0.00 -1.76 0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 0.39 -0.43 1.61 0.11 -1.86 -0.61 132.00 131.22 3jyi h PRO 145 Ca 0.00 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.14 3jyi h PRO 145 Cb 0.00 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3jyi h PRO 145 CO 0.00 0.26 0.29 0.87 -0.21 0.00 0.00 178.00 179.21 3jyi h LYS 146 N 0.40 0.36 0.16 1.05 1.57 -1.80 -1.39 116.57 116.92 3jyi h LYS 146 Ca 0.57 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 59.03 3jyi h LYS 146 Cb 1.08 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.34 3jyi h LYS 146 CO -0.53 0.24 -1.30 0.93 -0.57 0.00 0.00 179.45 178.22 3jyi h GLU 147 N 0.37 0.48 -0.52 3.15 4.39 -1.29 -1.78 114.58 119.38 3jyi h GLU 147 Ca 0.19 -0.73 0.06 0.00 0.34 0.00 0.00 59.36 59.22 3jyi h GLU 147 Cb 0.27 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 3jyi h GLU 147 CO -0.04 1.33 0.22 1.25 -1.16 0.00 0.00 179.01 180.61 3jyi h LEU 148 N 0.17 0.28 -0.87 1.33 6.46 -1.24 0.35 115.31 121.79 3jyi h LEU 148 Ca -0.19 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 3jyi h LEU 148 Cb 1.99 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.89 3jyi h LEU 148 CO 0.24 0.19 0.48 0.74 -0.62 0.00 0.00 178.44 179.47 3jyi h THR 149 N 0.43 1.25 -0.71 1.05 2.02 -1.24 -1.87 112.91 113.83 3jyi h THR 149 Ca 0.24 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3jyi h THR 149 Cb 0.21 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 3jyi h THR 149 CO -0.21 0.28 0.33 0.00 0.37 0.00 0.00 175.52 176.29 3jyi h ALA 150 N 1.26 0.92 -0.58 6.16 0.00 -0.72 -2.10 119.26 124.21 3jyi h ALA 150 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3jyi h ALA 150 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3jyi h ALA 150 CO -0.05 0.50 0.32 0.35 0.00 0.00 0.00 179.25 180.37 3jyi h PHE 151 N 1.00 0.79 -0.56 0.00 3.57 -0.39 -1.87 116.94 119.49 3jyi h PHE 151 Ca 0.24 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3jyi h PHE 151 Cb 0.15 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3jyi h PHE 151 CO 0.01 0.57 0.37 -0.07 -2.23 0.00 0.00 178.31 176.96 3jyi h LEU 152 N 0.78 0.63 -0.61 0.59 4.07 -1.21 -2.83 115.31 116.73 3jyi h LEU 152 Ca 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 3jyi h LEU 152 Cb 0.05 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 3jyi h LEU 152 CO -0.03 0.46 0.32 -0.74 -1.08 0.00 0.00 178.44 177.36 3jyi h HIS 153 N 0.75 0.85 0.00 1.13 2.76 -1.10 -1.86 115.15 117.68 3jyi h HIS 153 Ca 0.21 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3jyi h HIS 153 Cb -0.08 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.61 3jyi h HIS 153 CO -0.04 0.63 0.00 0.09 -1.30 0.00 0.00 177.93 177.31 3jyi n ASN 154 N -4.55 0.43 -0.90 3.26 3.02 -0.73 -1.23 115.26 114.57 3jyi n ASN 154 Ca 0.04 0.63 0.08 0.00 -0.03 0.00 0.00 54.58 55.30 3jyi n ASN 154 Cb 0.10 -0.71 0.20 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.00 2.55 -0.07 3.52 0.00 -0.96 -4.97 117.12 115.20 3jyi n MET 155 Ca 0.02 -2.18 0.00 0.00 0.00 0.00 0.00 57.70 55.54 3jyi n MET 155 Cb 0.17 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 1.00 0.86 3.34 3.17 0.00 -0.36 -5.05 105.19 108.14 3jyi n GLY 156 Ca 0.16 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 -2.25 6.25 -0.23 1.61 -1.08 -0.74 -4.90 116.67 115.32 3jyi s ASP 157 Ca 0.00 -1.73 0.12 0.00 -0.52 0.00 0.00 52.55 50.42 3jyi s ASP 157 Cb 0.00 -2.25 0.75 0.00 -1.46 0.00 0.00 42.92 39.96 3jyi s ASP 157 CO 0.00 -0.95 1.66 1.41 0.52 0.00 0.00 175.17 177.81 3jyi n HIS 158 N 5.62 1.98 -0.00 -5.34 8.25 -1.26 -3.14 115.22 121.33 3jyi n HIS 158 Ca -0.09 -0.73 -0.02 0.00 -0.26 0.00 0.00 57.72 56.62 3jyi n HIS 158 Cb 0.42 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 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 0.48 0.20 -2.06 1.59 0.31 -1.26 -5.03 118.33 112.55 3jyi n VAL 159 Ca 0.27 0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 64.21 3jyi n VAL 159 Cb 1.15 -1.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 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 -2.03 2.60 -0.23 2.52 2.01 -1.26 -4.75 115.64 114.50 3jyi s THR 160 Ca -0.02 0.59 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 3jyi s THR 160 Cb 0.01 -3.36 0.08 0.00 0.01 0.00 0.00 72.50 69.23 3jyi s THR 160 CO 0.03 0.12 0.55 0.00 -0.69 0.00 0.00 174.62 174.64 3jyi s ARG 161 N -1.97 0.54 -0.11 4.92 1.70 -0.98 -4.88 118.95 118.17 3jyi s ARG 161 Ca 0.52 1.05 -0.03 0.00 -0.47 0.00 0.00 55.73 56.80 3jyi s ARG 161 Cb -0.40 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.09 3jyi s ARG 161 CO 0.53 -0.17 0.01 -1.17 -1.08 0.00 0.00 175.30 173.42 3jyi s LEU 162 N 1.72 3.59 0.00 -1.89 2.96 -1.26 -2.88 118.68 120.92 3jyi s LEU 162 Ca -0.09 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 3jyi s LEU 162 Cb -0.07 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.78 3jyi s LEU 162 CO -0.16 0.33 0.00 0.47 -1.32 0.00 0.00 176.35 175.67 3jyi n ASP 163 N 2.46 3.20 -4.55 3.68 8.00 -1.26 -4.24 116.55 123.84 3jyi n ASP 163 Ca -0.18 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 3jyi n ASP 163 Cb 0.53 0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 41.84 3jyi n ASP 163 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3jyi s ARG 164 N -1.66 2.07 0.57 -1.24 0.52 -1.26 -4.86 118.95 113.09 3jyi s ARG 164 Ca 0.00 -2.29 0.08 0.00 -0.52 0.00 0.00 55.73 53.01 3jyi s ARG 164 Cb 0.00 -1.24 0.08 0.00 0.52 0.00 0.00 34.95 34.30 3jyi s ARG 164 CO 0.00 -0.36 0.68 -1.58 0.02 0.00 0.00 175.30 174.06 3jyi s TRP 165 N -2.98 1.40 0.24 -0.53 0.52 -1.26 -4.74 118.94 111.59 3jyi s TRP 165 Ca 0.15 -0.78 -0.30 0.00 0.02 0.00 0.00 56.10 55.19 3jyi s TRP 165 Cb 0.03 -2.10 -0.09 0.00 -1.15 0.00 0.00 33.47 30.16 3jyi s TRP 165 CO 0.08 -0.97 1.00 -1.21 0.02 0.00 0.00 176.95 175.87 3jyi s GLU 166 N -4.56 4.77 0.00 4.98 0.41 -1.26 -1.82 118.70 121.22 3jyi s GLU 166 Ca 0.53 1.60 0.25 0.00 -0.41 0.00 0.00 54.97 56.94 3jyi s GLU 166 Cb -0.04 -3.26 0.42 0.00 -1.78 0.00 0.00 34.13 29.47 3jyi s GLU 166 CO 0.33 0.38 1.38 -2.30 -0.49 0.00 0.00 175.26 174.56 3jyi n PRO 167 N 1.53 1.67 0.00 0.39 -0.02 -1.26 -4.94 135.00 132.37 3jyi n PRO 167 Ca -0.01 -1.26 0.06 0.00 -2.02 0.00 0.00 63.50 60.27 3jyi n PRO 167 Cb 0.46 -1.47 0.29 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.43 0.02 0.00 -0.52 0.00 -0.88 -2.98 120.64 116.72 3jyi n GLU 168 Ca 0.14 0.26 0.12 0.00 0.00 0.00 0.00 57.16 57.67 3jyi n GLU 168 Cb 0.47 -1.50 0.59 0.00 0.00 0.00 0.00 31.44 31.01 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 -1.47 0.00 -2.12 -1.84 -0.00 -0.76 -3.31 117.00 107.49 3jyi n LEU 169 Ca 0.04 0.33 -0.28 0.00 -0.00 0.00 0.00 56.01 56.10 3jyi n LEU 169 Cb 0.15 -0.33 0.08 0.00 -0.00 0.00 0.00 43.42 43.31 3jyi n LEU 169 CO 0.12 -0.06 0.95 0.61 -0.00 0.00 0.00 177.39 179.01 3jyi n GLY 170 N 0.83 5.90 0.10 1.47 0.00 -1.16 -4.63 105.19 107.70 3jyi n GLY 170 Ca 0.10 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 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 1.92 0.13 -6.10 1.61 4.81 -1.82 -0.21 114.58 114.92 3jyi h GLU 171 Ca 0.50 -0.23 -0.43 0.00 -0.13 0.00 0.00 59.36 59.07 3jyi h GLU 171 Cb 1.24 0.08 0.04 0.00 0.63 0.00 0.00 28.75 30.75 3jyi h GLU 171 CO 1.19 0.92 -0.75 0.00 -0.73 0.00 0.00 179.01 179.64 3jyi n ALA 172 N -2.60 -1.49 -1.71 2.92 0.00 -1.26 -4.59 120.51 111.78 3jyi n ALA 172 Ca -0.15 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3jyi n ALA 172 Cb 1.03 -4.09 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 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 -4.65 0.03 -1.62 0.00 5.41 -1.26 -4.89 119.36 112.38 3jyi n ILE 173 Ca -0.06 -0.01 -0.47 0.00 1.00 0.00 0.00 62.75 63.21 3jyi n ILE 173 Cb 0.58 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.57 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 3.83 1.55 0.00 0.38 -0.02 -1.26 -1.33 135.00 138.15 3jyi n PRO 174 Ca 0.16 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3jyi n PRO 174 Cb 0.34 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.08 0.00 -4.66 2.55 3.02 -1.26 -4.97 115.26 112.03 3jyi n ASN 175 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3jyi n ASN 175 Cb 0.28 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.18 6.61 0.00 6.41 -1.08 -0.44 -4.90 116.67 121.09 3jyi s ASP 176 Ca 0.00 2.16 0.28 0.00 -0.52 0.00 0.00 52.55 54.46 3jyi s ASP 176 Cb 0.00 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.91 3jyi s ASP 176 CO 0.00 -0.99 1.71 -0.62 0.52 0.00 0.00 175.17 175.79 3jyi n GLU 177 N 7.23 0.95 -1.91 4.34 1.02 -1.26 -4.83 120.64 126.18 3jyi n GLU 177 Ca 0.18 -0.49 -0.41 0.00 -0.02 0.00 0.00 57.16 56.42 3jyi n GLU 177 Cb 0.43 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.38 4.20 -1.18 3.49 0.52 -1.26 -3.39 118.95 118.94 3jyi s ARG 178 Ca 0.29 2.44 -0.04 0.00 -0.52 0.00 0.00 55.73 57.89 3jyi s ARG 178 Cb 0.20 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3jyi s ARG 178 CO 0.47 -0.47 0.55 -0.25 0.02 0.00 0.00 175.30 175.61 3jyi n ASP 179 N 1.52 -5.15 -4.53 0.23 8.00 -1.14 -4.92 116.55 110.56 3jyi n ASP 179 Ca 0.04 -0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.05 3jyi n ASP 179 Cb 0.39 -3.96 -0.10 0.00 -0.02 0.00 0.00 41.12 37.44 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 -3.07 2.58 0.31 -3.53 -4.23 -1.16 -1.34 115.64 105.20 3jyi s THR 180 Ca 0.27 -2.25 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 3jyi s THR 180 Cb -0.12 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 3jyi s THR 180 CO 0.33 -0.33 0.27 0.28 -0.54 0.00 0.00 174.62 174.63 3jyi s THR 181 N -2.51 0.00 0.07 3.99 -1.32 -0.63 -2.31 115.64 112.94 3jyi s THR 181 Ca 0.31 -1.97 0.06 0.00 -1.21 0.00 0.00 61.69 58.88 3jyi s THR 181 Cb -0.03 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 3jyi s THR 181 CO 0.16 0.00 -0.07 -0.04 -2.21 0.00 0.00 174.62 172.47 3jyi s MET 182 N -3.53 2.34 0.20 7.08 -1.94 -1.26 -1.23 119.30 120.97 3jyi s MET 182 Ca 0.40 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 3jyi s MET 182 Cb 0.03 -2.41 0.27 0.00 2.01 0.00 0.00 34.83 34.72 3jyi s MET 182 CO 0.25 0.54 1.70 -1.35 -0.01 0.00 0.00 175.02 176.15 3jyi h PRO 183 N 3.82 0.23 -0.71 2.03 0.11 -1.69 -1.42 132.00 134.37 3jyi h PRO 183 Ca -0.48 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.66 3jyi h PRO 183 Cb 1.17 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3jyi h PRO 183 CO 0.54 0.15 0.42 0.00 -0.21 0.00 0.00 178.00 178.91 3jyi h ALA 184 N 1.47 0.96 0.33 -0.75 0.00 -1.37 -2.42 119.26 117.47 3jyi h ALA 184 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3jyi h ALA 184 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jyi h ALA 184 CO -0.40 0.14 -0.16 0.00 0.00 0.00 0.00 179.25 178.84 3jyi h ALA 185 N 1.34 -0.44 -0.89 0.00 0.00 -1.64 -1.70 119.26 115.93 3jyi h ALA 185 Ca 0.31 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.25 3jyi h ALA 185 Cb 0.13 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 3jyi h ALA 185 CO -0.16 -0.57 0.40 1.98 0.00 0.00 0.00 179.25 180.90 3jyi h MET 186 N -0.80 0.40 0.06 0.00 -1.53 -1.26 0.25 114.93 112.05 3jyi h MET 186 Ca -0.05 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3jyi h MET 186 Cb 0.52 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.48 3jyi h MET 186 CO 0.07 0.27 -0.03 0.00 0.14 0.00 0.00 176.91 177.36 3jyi h ALA 187 N 1.70 -0.09 -0.89 0.39 0.00 -1.45 0.36 119.26 119.29 3jyi h ALA 187 Ca 0.55 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.31 3jyi h ALA 187 Cb 1.04 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3jyi h ALA 187 CO -0.52 -0.24 0.57 1.15 0.00 0.00 0.00 179.25 180.21 3jyi h THR 188 N -0.70 0.89 0.02 0.00 2.02 -0.78 -1.27 112.91 113.09 3jyi h THR 188 Ca -0.01 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3jyi h THR 188 Cb 0.58 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3jyi h THR 188 CO 0.01 0.14 -0.01 0.74 0.37 0.00 0.00 175.52 176.78 3jyi h THR 189 N 0.78 1.45 -0.88 3.16 2.02 -0.39 -2.49 112.91 116.55 3jyi h THR 189 Ca 0.43 -1.53 0.17 0.00 0.77 0.00 0.00 66.41 66.25 3jyi h THR 189 Cb 0.58 2.46 -0.07 0.00 -1.74 0.00 0.00 68.15 69.38 3jyi h THR 189 CO -0.20 0.39 0.57 0.25 0.37 0.00 0.00 175.52 176.90 3jyi h LEU 190 N -0.70 0.53 -0.24 2.58 5.85 -0.02 -1.74 115.31 121.57 3jyi h LEU 190 Ca -0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3jyi h LEU 190 Cb 0.65 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3jyi h LEU 190 CO 0.00 0.25 0.01 -0.09 -0.34 0.00 0.00 178.44 178.28 3jyi h ARG 191 N 0.55 0.42 -0.83 1.25 2.43 -1.20 -1.01 114.38 115.99 3jyi h ARG 191 Ca 0.45 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 3jyi h ARG 191 Cb 0.91 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 3jyi h ARG 191 CO -0.19 0.58 0.55 0.87 -1.51 0.00 0.00 179.97 180.27 3jyi h LYS 192 N 0.21 1.05 -0.35 0.20 1.57 -0.87 0.52 116.57 118.89 3jyi h LYS 192 Ca 0.07 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3jyi h LYS 192 Cb 0.38 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3jyi h LYS 192 CO 0.01 0.69 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.45 3jyi h LEU 193 N 1.08 0.67 0.00 2.94 4.07 -1.21 -0.78 115.31 122.07 3jyi h LEU 193 Ca 0.32 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3jyi h LEU 193 Cb -0.05 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.51 3jyi h LEU 193 CO -0.08 0.86 -0.53 -0.07 -1.08 0.00 0.00 178.44 177.54 3jyi h LEU 194 N 0.46 0.00 0.00 1.67 3.38 -0.77 -3.41 115.31 116.63 3jyi h LEU 194 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3jyi h LEU 194 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3jyi h LEU 194 CO 0.03 0.06 -0.29 0.41 0.09 0.00 0.00 178.44 178.74 3jyi n THR 195 N -2.32 0.00 -1.60 0.22 -1.04 0.14 -4.91 114.28 104.77 3jyi n THR 195 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.93 3jyi n THR 195 Cb 0.46 -0.26 0.07 0.00 -1.82 0.00 0.00 70.33 68.78 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 1.19 -0.80 0.74 3.41 0.00 -0.30 -4.96 105.19 104.47 3jyi n GLY 196 Ca 0.00 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.99 1.93 -0.04 1.61 4.07 -1.26 -4.27 120.64 120.69 3jyi n GLU 197 Ca 0.06 -1.44 -0.12 0.00 -0.06 0.00 0.00 57.16 55.61 3jyi n GLU 197 Cb 0.22 -1.32 -0.06 0.00 -0.06 0.00 0.00 31.44 30.22 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 2.38 0.22 -9.85 4.31 5.85 -1.92 -3.43 115.31 112.87 3jyi h LEU 198 Ca 0.00 -0.26 -0.53 0.00 0.84 0.00 0.00 57.88 57.92 3jyi h LEU 198 Cb 0.54 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3jyi h LEU 198 CO 0.00 0.42 -0.54 -0.76 -0.34 0.00 0.00 178.44 177.22 3jyi s LEU 199 N -9.63 3.83 0.71 2.25 1.02 -1.26 -4.97 118.68 110.63 3jyi s LEU 199 Ca -0.14 -0.18 -0.13 0.00 0.02 0.00 0.00 54.13 53.70 3jyi s LEU 199 Cb 0.06 -2.40 0.02 0.00 0.02 0.00 0.00 46.19 43.89 3jyi s LEU 199 CO 0.71 0.01 1.10 0.42 0.02 0.00 0.00 176.35 178.61 3jyi s THR 200 N -1.95 3.27 0.39 5.49 -4.23 -1.26 -4.70 115.64 112.64 3jyi s THR 200 Ca 0.32 0.51 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 3jyi s THR 200 Cb -0.09 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.96 3jyi s THR 200 CO 0.24 -0.44 2.00 0.17 -0.54 0.00 0.00 174.62 176.05 3jyi h LEU 201 N -0.46 0.45 -1.41 4.79 8.10 -1.97 0.15 115.31 124.96 3jyi h LEU 201 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 57.88 57.53 3jyi h LEU 201 Cb 1.24 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 41.31 3jyi h LEU 201 CO 0.53 0.40 0.43 0.00 -4.11 0.00 0.00 178.44 175.69 3jyi h ALA 202 N 1.67 1.65 0.06 0.17 0.00 -1.99 0.13 119.26 120.95 3jyi h ALA 202 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3jyi h ALA 202 Cb 0.08 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.67 3jyi h ALA 202 CO -0.02 0.28 -0.65 0.77 0.00 0.00 0.00 179.25 179.63 3jyi h SER 203 N 0.76 0.47 -0.68 0.00 0.02 -1.40 -1.76 113.55 110.96 3jyi h SER 203 Ca 0.26 -0.85 0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3jyi h SER 203 Cb 0.08 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 3jyi h SER 203 CO -0.07 1.27 0.26 0.03 -1.14 0.00 0.00 176.83 177.18 3jyi h ARG 204 N -0.27 0.42 -0.42 3.45 3.08 -0.60 -0.43 114.38 119.62 3jyi h ARG 204 Ca -0.10 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3jyi h ARG 204 Cb 1.43 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3jyi h ARG 204 CO 0.13 0.28 0.10 0.37 -1.07 0.00 0.00 179.97 179.77 3jyi h GLN 205 N 0.43 0.67 -0.70 0.04 5.75 -0.98 -2.26 115.11 118.06 3jyi h GLN 205 Ca 0.36 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.66 3jyi h GLN 205 Cb 0.48 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3jyi h GLN 205 CO -0.35 0.69 0.29 0.37 -2.65 0.00 0.00 178.83 177.18 3jyi h GLN 206 N 0.54 1.04 0.52 1.69 5.75 -0.69 0.50 115.11 124.46 3jyi h GLN 206 Ca 0.13 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3jyi h GLN 206 Cb 0.32 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 3jyi h GLN 206 CO 0.00 0.85 -0.37 1.25 -2.65 0.00 0.00 178.83 177.92 3jyi h LEU 207 N 1.00 -0.95 -1.16 -2.39 5.85 -0.90 -1.59 115.31 115.18 3jyi h LEU 207 Ca 0.24 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 3jyi h LEU 207 Cb 0.19 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3jyi h LEU 207 CO -0.02 -0.55 -0.11 -0.29 -0.34 0.00 0.00 178.44 177.13 3jyi h ILE 208 N -0.86 1.22 -0.61 4.05 2.10 -1.31 -1.27 117.51 120.83 3jyi h ILE 208 Ca -0.06 -0.95 0.02 0.00 1.08 0.00 0.00 64.86 64.95 3jyi h ILE 208 Cb 0.72 1.13 -0.03 0.00 -1.09 0.00 0.00 36.82 37.55 3jyi h ILE 208 CO 0.03 0.31 0.40 0.44 -1.08 0.00 0.00 178.15 178.25 3jyi h ASP 209 N 0.43 0.65 -0.18 2.19 5.19 -0.66 0.04 116.42 124.08 3jyi h ASP 209 Ca 0.08 -0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.33 3jyi h ASP 209 Cb 0.45 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3jyi h ASP 209 CO 0.03 0.46 -0.50 -0.50 -3.12 0.00 0.00 179.24 175.61 3jyi h TRP 210 N 0.76 0.84 -0.20 4.55 6.55 -0.23 -2.70 115.95 125.52 3jyi h TRP 210 Ca 0.24 -0.33 -0.02 0.00 0.95 0.00 0.00 58.89 59.72 3jyi h TRP 210 Cb 0.01 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 3jyi h TRP 210 CO -0.00 1.11 0.05 0.52 -1.05 0.00 0.00 178.44 179.07 3jyi h MET 211 N 0.33 0.33 -0.88 0.49 2.86 -1.03 -2.44 114.93 114.58 3jyi h MET 211 Ca -0.01 -0.08 0.21 0.00 -2.06 0.00 0.00 59.70 57.76 3jyi h MET 211 Cb 1.11 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 3jyi h MET 211 CO 0.11 0.46 0.60 1.49 1.06 0.00 0.00 176.91 180.62 3jyi h GLU 212 N 0.14 0.29 -0.10 1.72 4.81 -1.02 -0.00 114.58 120.43 3jyi h GLU 212 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3jyi h GLU 212 Cb 0.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3jyi h GLU 212 CO 0.00 0.19 0.00 0.00 -0.73 0.00 0.00 179.01 178.48 3jyi n ALA 213 N -2.56 2.53 -1.60 2.92 0.00 -0.92 -4.87 120.51 116.01 3jyi n ALA 213 Ca 0.19 -0.26 -0.57 0.00 0.00 0.00 0.00 53.44 52.80 3jyi n ALA 213 Cb 0.75 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.23 2.09 0.08 0.00 4.64 -0.03 -4.87 116.55 118.24 3jyi n ASP 214 Ca 0.10 0.88 0.11 0.00 -1.38 0.00 0.00 54.79 54.50 3jyi n ASP 214 Cb 0.15 -1.13 -0.04 0.00 -1.04 0.00 0.00 41.12 39.06 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 6.25 0.62 0.00 -0.67 4.76 -0.60 -4.86 118.16 123.67 3jyi n LYS 215 Ca 0.34 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 3jyi n LYS 215 Cb 0.12 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 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 -2.59 0.00 -1.01 -0.18 0.31 -1.22 -4.66 118.33 108.97 3jyi n VAL 216 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3jyi n VAL 216 Cb 0.56 -0.63 -0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.01 -0.05 3.52 0.00 -1.26 -4.87 120.51 114.85 3jyi n ALA 217 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3jyi n ALA 217 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 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 0.18 1.68 0.00 0.00 -1.91 -2.57 103.07 100.45 3jyi h GLY 218 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3jyi h GLY 218 CO 0.01 -0.06 0.00 -1.05 0.00 0.00 0.00 176.54 175.45 3jyi n PRO 219 N -5.16 0.15 0.00 4.80 -0.02 -1.26 -2.72 135.00 130.78 3jyi n PRO 219 Ca -0.02 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3jyi n PRO 219 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.34 0.00 -0.25 2.45 4.32 -0.97 -4.52 117.00 116.69 3jyi n LEU 220 Ca 0.06 0.00 0.21 0.00 -0.02 0.00 0.00 56.01 56.26 3jyi n LEU 220 Cb 0.12 0.00 0.54 0.00 -1.62 0.00 0.00 43.42 42.46 3jyi n LEU 220 CO 0.11 0.00 1.23 -0.07 -1.22 0.00 0.00 177.39 177.44 3jyi h LEU 221 N 0.00 0.37 -1.60 2.23 4.07 -1.85 -2.26 115.31 116.27 3jyi h LEU 221 Ca 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 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 0.13 0.03 0.03 -1.08 0.00 0.00 178.44 177.55 3jyi h ARG 222 N 0.36 0.28 0.00 1.13 3.08 -1.75 -2.11 114.38 115.37 3jyi h ARG 222 Ca 0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3jyi h ARG 222 Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3jyi h ARG 222 CO -0.18 0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 177.88 3jyi n SER 223 N -4.40 0.00 -0.55 7.04 3.41 -0.85 -1.99 113.62 116.28 3jyi n SER 223 Ca -0.00 0.04 0.06 0.00 -0.26 0.00 0.00 58.87 58.71 3jyi n SER 223 Cb 0.16 -0.31 0.11 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.31 2.31 -2.70 7.33 0.00 -0.80 -4.99 120.51 120.35 3jyi n ALA 224 Ca 0.10 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.26 3jyi n ALA 224 Cb 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.96 4.19 0.78 0.00 2.96 -0.84 -4.68 118.68 120.13 3jyi s LEU 225 Ca 0.19 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 3jyi s LEU 225 Cb 0.11 -2.36 0.06 0.00 0.50 0.00 0.00 46.19 44.49 3jyi s LEU 225 CO 0.15 0.04 1.09 -2.84 -1.32 0.00 0.00 176.35 173.46 3jyi s PRO 226 N 0.85 2.25 0.39 0.98 0.02 -1.26 -5.02 135.00 133.22 3jyi s PRO 226 Ca 0.15 0.77 -0.27 0.00 0.02 0.00 0.00 61.00 61.68 3jyi s PRO 226 Cb -0.14 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 3jyi s PRO 226 CO 0.05 -1.53 1.33 0.00 -0.33 0.00 0.00 177.00 176.52 3jyi s ALA 227 N -3.09 3.35 0.00 -1.55 0.00 -1.26 -3.25 121.76 115.96 3jyi s ALA 227 Ca 0.60 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3jyi s ALA 227 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3jyi s ALA 227 CO 0.55 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3jyi n GLY 228 N 0.67 2.59 3.79 0.00 0.00 -1.26 -5.00 105.19 105.98 3jyi n GLY 228 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.74 3.78 0.03 1.61 0.52 -1.20 0.14 118.94 121.08 3jyi s TRP 229 Ca 0.00 1.63 -0.22 0.00 0.02 0.00 0.00 56.10 57.53 3jyi s TRP 229 Cb 0.00 -2.79 -0.06 0.00 -1.15 0.00 0.00 33.47 29.48 3jyi s TRP 229 CO 0.00 0.37 0.64 0.12 0.02 0.00 0.00 176.95 178.10 3jyi s PHE 230 N -1.40 3.74 -0.12 -1.98 5.36 0.24 -4.73 117.98 119.09 3jyi s PHE 230 Ca 0.42 1.30 -0.05 0.00 -0.96 0.00 0.00 56.93 57.65 3jyi s PHE 230 Cb -0.20 -2.64 0.05 0.00 -0.34 0.00 0.00 43.02 39.89 3jyi s PHE 230 CO 0.24 0.40 0.26 -1.50 -1.46 0.00 0.00 175.22 173.16 3jyi s ILE 231 N -0.42 -0.20 -0.13 3.12 2.07 -1.26 -1.17 121.20 123.21 3jyi s ILE 231 Ca 0.32 0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 3jyi s ILE 231 Cb -0.19 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 3jyi s ILE 231 CO 0.19 0.08 -0.17 0.00 -1.91 0.00 0.00 174.94 173.14 3jyi s ALA 232 N 1.75 2.45 0.22 1.50 0.00 0.66 -4.36 121.76 123.99 3jyi s ALA 232 Ca -0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.77 3jyi s ALA 232 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.93 3jyi s ALA 232 CO -0.09 0.17 0.57 0.16 0.00 0.00 0.00 175.76 176.57 3jyi s ASP 233 N 0.50 -0.26 -0.10 0.00 -4.77 -1.15 -0.30 116.67 110.60 3jyi s ASP 233 Ca -0.11 -0.55 -0.04 0.00 -3.30 0.00 0.00 52.55 48.55 3jyi s ASP 233 Cb -0.16 0.62 0.05 0.00 -1.09 0.00 0.00 42.92 42.33 3jyi s ASP 233 CO 0.05 -1.13 0.22 -0.75 0.70 0.00 0.00 175.17 174.26 3jyi s LYS 234 N -3.90 0.15 0.34 2.11 2.47 -0.40 -4.67 119.74 115.84 3jyi s LYS 234 Ca 0.11 0.55 0.05 0.00 -1.56 0.00 0.00 55.97 55.12 3jyi s LYS 234 Cb -0.02 -0.13 -0.01 0.00 -1.46 0.00 0.00 37.83 36.21 3jyi s LYS 234 CO 0.01 -0.20 0.48 -1.54 0.16 0.00 0.00 175.35 174.26 3jyi s SER 235 N 1.57 6.01 -0.06 1.43 1.04 -1.26 -1.52 113.70 120.91 3jyi s SER 235 Ca -0.06 -0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 3jyi s SER 235 Cb -0.11 -1.39 0.01 0.00 0.10 0.00 0.00 66.02 64.64 3jyi s SER 235 CO -0.08 -0.41 0.16 -0.83 0.98 0.00 0.00 173.24 173.05 3jyi s GLY 236 N -4.15 -0.11 0.11 7.32 0.00 0.40 -3.86 107.32 107.02 3jyi s GLY 236 Ca 0.44 0.42 0.06 0.00 0.00 0.00 0.00 44.72 45.64 3jyi s GLY 236 CO 0.32 0.36 -0.16 0.00 0.00 0.00 0.00 173.10 173.62 3jyi s ALA 237 N 0.04 1.51 0.38 3.20 0.00 -1.26 -0.70 121.76 124.93 3jyi s ALA 237 Ca -0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 3jyi s ALA 237 Cb -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.01 3jyi s ALA 237 CO 0.00 0.19 0.64 0.20 0.00 0.00 0.00 175.76 176.79 3jyi s GLY 238 N -2.14 1.04 0.92 0.00 0.00 -0.60 -4.46 107.32 102.07 3jyi s GLY 238 Ca 0.06 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 3jyi s GLY 238 CO 0.03 -0.69 1.09 1.85 0.00 0.00 0.00 173.10 175.38 3jyi s GLU 239 N -2.50 1.09 -1.33 2.90 2.56 -0.09 -3.42 118.70 117.91 3jyi s GLU 239 Ca 0.24 0.90 -0.01 0.00 0.00 0.00 0.00 54.97 56.10 3jyi s GLU 239 Cb -0.03 -1.78 -0.00 0.00 2.00 0.00 0.00 34.13 34.32 3jyi s GLU 239 CO 0.17 -2.38 0.62 0.54 -0.56 0.00 0.00 175.26 173.65 3jyi n ARG 240 N -3.99 -4.33 -1.56 4.30 1.74 -1.26 -2.34 116.66 109.22 3jyi n ARG 240 Ca 0.07 0.56 -0.19 0.00 -0.77 0.00 0.00 57.85 57.52 3jyi n ARG 240 Cb 0.55 -4.97 -0.08 0.00 -1.02 0.00 0.00 32.46 26.93 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 -1.69 1.83 3.75 -0.13 0.00 -1.17 -0.75 105.19 107.03 3jyi n GLY 241 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.70 6.91 -0.04 1.61 0.01 -0.99 -4.30 113.70 114.20 3jyi s SER 242 Ca 0.00 2.46 -0.29 0.00 1.31 0.00 0.00 55.95 59.43 3jyi s SER 242 Cb 0.00 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.67 3jyi s SER 242 CO 0.00 -0.48 0.64 -0.60 0.41 0.00 0.00 173.24 173.21 3jyi s ARG 243 N -0.73 1.03 0.07 12.44 6.06 0.03 -1.55 118.95 136.30 3jyi s ARG 243 Ca 0.53 0.18 -0.27 0.00 -2.50 0.00 0.00 55.73 53.68 3jyi s ARG 243 Cb -0.37 0.48 0.09 0.00 0.06 0.00 0.00 34.95 35.22 3jyi s ARG 243 CO 0.42 -0.33 1.17 0.20 -2.50 0.00 0.00 175.30 174.27 3jyi s GLY 244 N -1.27 -0.14 -0.20 8.12 0.00 0.13 -0.50 107.32 113.45 3jyi s GLY 244 Ca -0.11 0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 3jyi s GLY 244 CO 0.08 2.49 0.80 -1.50 0.00 0.00 0.00 173.10 174.97 3jyi s ILE 245 N -2.33 0.00 0.12 0.90 2.07 0.20 -0.46 121.20 121.71 3jyi s ILE 245 Ca 0.21 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.55 3jyi s ILE 245 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3jyi s ILE 245 CO 0.01 0.00 -0.24 0.27 -1.91 0.00 0.00 174.94 173.07 3jyi s ILE 246 N -0.28 2.03 -0.20 2.00 -4.36 -0.58 -0.90 121.20 118.92 3jyi s ILE 246 Ca -0.03 -1.70 -0.27 0.00 -0.26 0.00 0.00 60.65 58.39 3jyi s ILE 246 Cb -0.03 -1.83 0.10 0.00 1.25 0.00 0.00 42.46 41.95 3jyi s ILE 246 CO 0.02 -0.00 0.89 0.00 0.24 0.00 0.00 174.94 176.09 3jyi s ALA 247 N -1.19 -1.88 -0.21 2.27 0.00 -0.65 -1.28 121.76 118.83 3jyi s ALA 247 Ca 0.12 1.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.74 3jyi s ALA 247 Cb -0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3jyi s ALA 247 CO 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 175.76 175.53 3jyi s ALA 248 N -0.36 3.09 0.13 0.00 0.00 0.59 -0.92 121.76 124.30 3jyi s ALA 248 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3jyi s ALA 248 Cb -0.03 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3jyi s ALA 248 CO 0.01 -0.19 0.14 -0.48 0.00 0.00 0.00 175.76 175.23 3jyi s LEU 249 N 1.07 1.53 -0.24 0.00 2.34 -0.74 -0.24 118.68 122.40 3jyi s LEU 249 Ca 0.03 -1.03 -0.36 0.00 0.06 0.00 0.00 54.13 52.82 3jyi s LEU 249 Cb -0.14 0.65 0.15 0.00 -0.56 0.00 0.00 46.19 46.28 3jyi s LEU 249 CO 0.02 -0.77 1.28 -0.83 -1.06 0.00 0.00 176.35 174.99 3jyi s GLY 250 N -3.00 -0.23 0.67 -3.48 0.00 -0.32 -1.48 107.32 99.48 3jyi s GLY 250 Ca 0.19 1.81 -0.11 0.00 0.00 0.00 0.00 44.72 46.61 3jyi s GLY 250 CO -0.01 0.62 1.06 2.56 0.00 0.00 0.00 173.10 177.34 3jyi s PRO 251 N -2.16 3.19 -1.12 2.90 0.05 -1.22 0.79 135.00 137.43 3jyi s PRO 251 Ca 0.10 0.63 -0.03 0.00 0.05 0.00 0.00 61.00 61.75 3jyi s PRO 251 Cb -0.01 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.50 3jyi s PRO 251 CO -0.04 -0.84 0.40 -0.25 0.05 0.00 0.00 177.00 176.33 3jyi n ASP 252 N -2.91 -4.80 0.00 6.66 8.00 -1.08 -3.07 116.55 119.35 3jyi n ASP 252 Ca 0.07 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3jyi n ASP 252 Cb 0.55 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 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 -1.28 0.17 3.26 0.44 0.00 0.36 -4.94 105.19 103.19 3jyi n GLY 253 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.28 1.54 0.35 1.61 1.02 -1.18 -4.63 119.74 117.18 3jyi s LYS 254 Ca 0.00 -0.91 -0.24 0.00 0.02 0.00 0.00 55.97 54.84 3jyi s LYS 254 Cb 0.00 -1.61 -0.10 0.00 -0.52 0.00 0.00 37.83 35.60 3jyi s LYS 254 CO 0.00 0.42 0.93 -1.25 -0.92 0.00 0.00 175.35 174.53 3jyi s PRO 255 N -0.98 4.43 0.00 -1.68 0.04 -1.26 -3.42 135.00 132.13 3jyi s PRO 255 Ca 0.08 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3jyi s PRO 255 Cb -0.09 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3jyi s PRO 255 CO 0.01 0.18 0.00 -1.13 0.04 0.00 0.00 177.00 176.10 3jyi n SER 256 N 0.15 0.00 -4.09 6.66 3.41 -0.55 -4.84 113.62 114.36 3jyi n SER 256 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 3jyi n SER 256 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.60 -0.14 4.33 0.52 -0.89 -1.05 118.95 122.31 3jyi s ARG 257 Ca 0.00 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 3jyi s ARG 257 Cb 0.00 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.10 3jyi s ARG 257 CO 0.00 0.05 0.02 0.42 0.02 0.00 0.00 175.30 175.81 3jyi s ILE 258 N -1.66 4.40 -0.09 1.52 1.01 0.14 -1.79 121.20 124.73 3jyi s ILE 258 Ca -0.06 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.44 3jyi s ILE 258 Cb -0.08 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 3jyi s ILE 258 CO -0.00 0.52 -0.22 -0.69 0.00 0.00 0.00 174.94 174.55 3jyi s VAL 259 N -0.05 2.29 -0.07 2.92 1.01 -0.09 0.37 120.40 126.77 3jyi s VAL 259 Ca 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3jyi s VAL 259 Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3jyi s VAL 259 CO 0.02 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 3jyi s VAL 260 N 0.18 1.41 -0.04 2.92 1.01 -0.62 -1.63 120.40 123.64 3jyi s VAL 260 Ca -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3jyi s VAL 260 Cb -0.16 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3jyi s VAL 260 CO 0.07 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.94 3jyi s ILE 261 N 0.45 0.30 -0.00 2.22 1.01 -0.08 -1.71 121.20 123.40 3jyi s ILE 261 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3jyi s ILE 261 Cb -0.15 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 3jyi s ILE 261 CO 0.05 0.18 -0.01 -0.31 0.00 0.00 0.00 174.94 174.84 3jyi s TYR 262 N 1.05 0.12 0.01 3.97 2.02 -0.77 -0.63 117.35 123.14 3jyi s TYR 262 Ca -0.09 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3jyi s TYR 262 Cb -0.14 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.33 3jyi s TYR 262 CO -0.01 -0.00 -0.03 -0.08 -1.57 0.00 0.00 175.55 173.85 3jyi s THR 263 N -0.01 0.16 -0.08 -0.71 -1.32 0.34 -0.13 115.64 113.90 3jyi s THR 263 Ca 0.00 -0.54 -0.09 0.00 -1.21 0.00 0.00 61.69 59.85 3jyi s THR 263 Cb -0.01 -0.23 0.02 0.00 -1.51 0.00 0.00 72.50 70.77 3jyi s THR 263 CO -0.00 -0.24 0.24 0.28 -2.21 0.00 0.00 174.62 172.69 3jyi s THR 264 N -0.80 0.01 0.00 5.08 -1.32 -1.24 -0.79 115.64 116.58 3jyi s THR 264 Ca -0.08 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 3jyi s THR 264 Cb -0.06 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 3jyi s THR 264 CO -0.00 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 3jyi n GLY 265 N 2.77 1.31 3.69 6.08 0.00 0.07 -3.86 105.19 115.24 3jyi n GLY 265 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3jyi n GLY 265 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3jyi n SER 266 N 0.00 0.96 -0.66 1.61 2.88 -1.24 -4.78 113.62 112.39 3jyi n SER 266 Ca 0.00 0.57 0.06 0.00 -1.33 0.00 0.00 58.87 58.17 3jyi n SER 266 Cb 0.00 -1.51 0.14 0.00 -0.75 0.00 0.00 64.21 62.09 3jyi n SER 266 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3jyi n GLN 267 N -3.42 2.25 -1.60 -1.46 6.02 -1.26 -3.03 117.38 114.88 3jyi n GLN 267 Ca 0.13 -1.87 -0.32 0.00 -0.01 0.00 0.00 57.00 54.94 3jyi n GLN 267 Cb 0.51 -1.28 0.06 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.01 2.44 0.88 -1.58 0.00 -1.26 -5.02 121.76 116.21 3jyi s ALA 268 Ca 0.23 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 3jyi s ALA 268 Cb 0.13 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 20.08 3jyi s ALA 268 CO 0.17 -1.39 1.05 2.41 0.00 0.00 0.00 175.76 178.00 3jyi n THR 269 N -2.83 0.66 -0.19 0.00 -1.04 -1.26 -4.77 114.28 104.86 3jyi n THR 269 Ca 0.09 -0.10 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3jyi n THR 269 Cb 0.53 -1.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.09 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 -1.52 0.59 -1.00 -2.82 4.05 -1.99 -0.90 114.93 111.35 3jyi h MET 270 Ca -0.44 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.01 3jyi h MET 270 Cb 1.28 -0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 3jyi h MET 270 CO 0.42 0.39 0.65 -0.44 0.23 0.00 0.00 176.91 178.16 3jyi h ASP 271 N 0.61 1.03 -0.35 1.39 3.32 -1.99 0.09 116.42 120.53 3jyi h ASP 271 Ca 0.24 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 3jyi h ASP 271 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3jyi h ASP 271 CO -0.14 0.66 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.36 3jyi h GLU 272 N 1.17 0.86 -0.28 3.56 5.08 -1.73 -1.17 114.58 122.06 3jyi h GLU 272 Ca 0.43 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3jyi h GLU 272 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3jyi h GLU 272 CO -0.17 1.10 -0.31 0.00 -1.00 0.00 0.00 179.01 178.62 3jyi h ARG 273 N 0.66 0.60 0.28 2.33 3.08 -0.91 -2.62 114.38 117.79 3jyi h ARG 273 Ca 0.06 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3jyi h ARG 273 Cb 0.94 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3jyi h ARG 273 CO 0.09 0.84 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.64 3jyi h ASN 274 N 0.51 -0.76 -0.83 7.04 2.35 -0.83 -2.58 115.58 120.48 3jyi h ASN 274 Ca 0.06 0.07 0.12 0.00 -0.55 0.00 0.00 56.30 56.00 3jyi h ASN 274 Cb 0.79 0.26 -0.08 0.00 0.05 0.00 0.00 38.32 39.34 3jyi h ASN 274 CO 0.06 -0.40 0.45 -0.09 -1.65 0.00 0.00 177.43 175.80 3jyi h ARG 275 N -0.59 0.67 -0.18 0.81 2.43 -1.10 0.87 114.38 117.28 3jyi h ARG 275 Ca -0.01 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3jyi h ARG 275 Cb 0.55 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3jyi h ARG 275 CO -0.06 0.44 -0.23 1.96 -1.51 0.00 0.00 179.97 180.57 3jyi h GLN 276 N 0.69 0.31 0.28 0.20 1.08 -1.40 -1.20 115.11 115.08 3jyi h GLN 276 Ca 0.43 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 3jyi h GLN 276 Cb 0.53 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3jyi h GLN 276 CO -0.31 0.53 -0.14 0.82 -0.95 0.00 0.00 178.83 178.78 3jyi h ILE 277 N 0.28 0.72 -0.98 2.54 1.08 -0.68 -2.76 117.51 117.71 3jyi h ILE 277 Ca 0.05 -0.68 0.13 0.00 -0.39 0.00 0.00 64.86 63.97 3jyi h ILE 277 Cb 0.57 1.05 -0.09 0.00 -3.07 0.00 0.00 36.82 35.29 3jyi h ILE 277 CO 0.04 0.13 0.61 0.00 -0.69 0.00 0.00 178.15 178.24 3jyi h ALA 278 N -0.22 1.50 0.00 1.87 0.00 -0.73 -0.85 119.26 120.82 3jyi h ALA 278 Ca -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3jyi h ALA 278 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3jyi h ALA 278 CO 0.06 0.17 -0.47 0.93 0.00 0.00 0.00 179.25 179.95 3jyi h GLU 279 N 0.94 0.00 -0.45 0.00 5.08 -1.24 0.23 114.58 119.14 3jyi h GLU 279 Ca 0.50 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.73 3jyi h GLU 279 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3jyi h GLU 279 CO -0.28 0.47 -0.21 0.82 -1.00 0.00 0.00 179.01 178.80 3jyi h ILE 280 N 0.00 1.27 -0.15 3.13 2.04 -0.87 -2.39 117.51 120.54 3jyi h ILE 280 Ca -0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 3jyi h ILE 280 Cb 0.86 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3jyi h ILE 280 CO 0.06 0.47 0.09 1.23 0.00 0.00 0.00 178.15 180.00 3jyi h GLY 281 N 0.77 0.23 0.01 5.37 0.00 -0.64 -1.42 103.07 107.39 3jyi h GLY 281 Ca 0.10 -0.10 0.22 0.00 0.00 0.00 0.00 47.33 47.55 3jyi h GLY 281 CO 0.06 0.10 0.61 0.00 0.00 0.00 0.00 176.54 177.31 3jyi h ALA 282 N 0.99 1.80 -0.05 3.60 0.00 -0.87 0.92 119.26 125.65 3jyi h ALA 282 Ca 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3jyi h ALA 282 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3jyi h ALA 282 CO -0.01 -0.21 -0.08 0.77 0.00 0.00 0.00 179.25 179.73 3jyi h SER 283 N 0.65 0.15 -0.84 0.00 0.02 -1.13 -0.59 113.55 111.80 3jyi h SER 283 Ca 0.60 -0.54 0.18 0.00 -0.84 0.00 0.00 61.79 61.19 3jyi h SER 283 Cb 1.09 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 63.48 3jyi h SER 283 CO -0.40 0.66 0.37 0.25 -1.14 0.00 0.00 176.83 176.57 3jyi h LEU 284 N -0.35 0.34 0.09 5.07 5.85 -0.21 -0.14 115.31 125.96 3jyi h LEU 284 Ca 0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3jyi h LEU 284 Cb 0.63 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3jyi h LEU 284 CO 0.02 0.08 -0.04 0.40 -0.34 0.00 0.00 178.44 178.55 3jyi h ILE 285 N 0.46 0.96 -0.97 4.05 2.04 -0.87 -2.71 117.51 120.47 3jyi h ILE 285 Ca 0.49 -1.42 0.25 0.00 1.00 0.00 0.00 64.86 65.18 3jyi h ILE 285 Cb 0.83 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 3jyi h ILE 285 CO -0.46 0.29 0.66 0.50 0.00 0.00 0.00 178.15 179.14 3jyi h LYS 286 N -0.91 0.23 -0.39 2.37 3.64 -0.92 -1.79 116.57 118.80 3jyi h LYS 286 Ca -0.01 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3jyi h LYS 286 Cb 0.56 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 3jyi h LYS 286 CO 0.02 0.15 -0.01 0.72 -2.27 0.00 0.00 179.45 178.07 3jyi n HIS 287 N -4.43 1.22 0.00 1.91 8.25 -0.08 -5.08 115.22 117.01 3jyi n HIS 287 Ca 0.21 -1.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.19 3jyi n HIS 287 Cb 0.88 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3jyi n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85