#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 0.26 0.00 1.57 0.11 -1.97 0.01 132.00 131.98 3jyi h PRO 27 Ca 0.00 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 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 0.17 -0.59 0.93 -0.21 0.00 0.00 178.00 178.30 3jyi h GLU 28 N 0.27 0.00 -0.30 1.05 4.39 -1.99 -1.92 114.58 116.07 3jyi h GLU 28 Ca 0.75 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.32 3jyi h GLU 28 Cb 1.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.46 3jyi h GLU 28 CO -0.61 0.59 -0.33 1.15 -1.16 0.00 0.00 179.01 178.66 3jyi h THR 29 N 0.00 1.29 -0.95 1.13 2.02 -1.31 -2.48 112.91 112.62 3jyi h THR 29 Ca -0.01 -1.50 0.03 0.00 0.77 0.00 0.00 66.41 65.70 3jyi h THR 29 Cb 1.17 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 3jyi h THR 29 CO 0.08 0.49 0.62 0.25 0.37 0.00 0.00 175.52 177.32 3jyi h LEU 30 N 0.52 1.03 -0.88 2.58 5.85 -1.29 -0.08 115.31 123.05 3jyi h LEU 30 Ca 0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3jyi h LEU 30 Cb 0.91 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3jyi h LEU 30 CO 0.08 0.71 0.56 0.58 -0.34 0.00 0.00 178.44 180.03 3jyi h VAL 31 N 1.20 1.23 -0.22 1.05 2.07 -1.24 -1.60 116.25 118.75 3jyi h VAL 31 Ca 0.38 -0.47 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 3jyi h VAL 31 Cb -0.01 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3jyi h VAL 31 CO -0.12 0.23 -0.41 0.50 0.02 0.00 0.00 177.57 177.80 3jyi h LYS 32 N 1.20 0.52 0.33 1.57 1.63 -0.82 -1.36 116.57 119.64 3jyi h LYS 32 Ca 0.32 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3jyi h LYS 32 Cb -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3jyi h LYS 32 CO -0.06 0.84 -0.16 0.28 -3.45 0.00 0.00 179.45 176.90 3jyi h VAL 33 N 0.43 0.68 -0.99 2.00 2.07 -0.73 -0.53 116.25 119.18 3jyi h VAL 33 Ca 0.04 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 3jyi h VAL 33 Cb 0.90 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 3jyi h VAL 33 CO 0.08 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.40 3jyi h LYS 34 N -0.45 0.93 -0.13 1.57 1.57 -1.16 0.74 116.57 119.65 3jyi h LYS 34 Ca -0.05 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3jyi h LYS 34 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3jyi h LYS 34 CO 0.07 0.61 -0.17 0.22 -0.57 0.00 0.00 179.45 179.62 3jyi h ASP 35 N 0.95 0.20 -0.15 0.86 3.58 -0.83 -2.36 116.42 118.68 3jyi h ASP 35 Ca 0.49 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.80 3jyi h ASP 35 Cb 0.51 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 3jyi h ASP 35 CO -0.25 0.39 -0.19 0.00 -2.88 0.00 0.00 179.24 176.30 3jyi h ALA 36 N 1.64 1.09 -0.29 -0.78 0.00 0.78 -1.54 119.26 120.16 3jyi h ALA 36 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3jyi h ALA 36 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jyi h ALA 36 CO 0.03 0.56 0.18 0.93 0.00 0.00 0.00 179.25 180.95 3jyi h GLU 37 N 0.51 0.39 -0.69 0.00 5.08 -0.89 -1.62 114.58 117.36 3jyi h GLU 37 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3jyi h GLU 37 Cb 0.62 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3jyi h GLU 37 CO 0.04 0.28 0.38 -0.44 -1.00 0.00 0.00 179.01 178.28 3jyi h ASP 38 N 0.38 0.85 0.45 1.42 3.45 -1.20 0.35 116.42 122.12 3jyi h ASP 38 Ca 0.11 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.37 3jyi h ASP 38 Cb -0.02 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 3jyi h ASP 38 CO -0.02 0.70 -0.47 1.56 -1.57 0.00 0.00 179.24 179.43 3jyi h GLN 39 N 0.94 0.03 0.00 3.56 1.08 -1.11 -3.19 115.11 116.42 3jyi h GLN 39 Ca 0.24 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 3jyi h GLN 39 Cb 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3jyi h GLN 39 CO -0.04 0.50 -1.70 1.28 -0.95 0.00 0.00 178.83 177.92 3jyi n LEU 40 N -3.97 0.26 -3.32 1.46 4.77 -0.63 -4.99 117.00 110.57 3jyi n LEU 40 Ca -0.02 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 3jyi n LEU 40 Cb 0.50 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.66 3jyi n LEU 40 CO 0.40 -0.05 0.12 0.61 -1.33 0.00 0.00 177.39 177.15 3jyi n GLY 41 N 1.25 -0.34 3.43 -0.72 0.00 0.12 -4.19 105.19 104.75 3jyi n GLY 41 Ca -0.03 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.34 -1.50 0.71 4.61 0.00 -1.14 -4.48 121.76 116.62 3jyi s ALA 42 Ca 0.06 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 3jyi s ALA 42 Cb -0.03 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.41 3jyi s ALA 42 CO 0.69 -0.48 1.25 1.03 0.00 0.00 0.00 175.76 178.26 3jyi s ARG 43 N -2.10 2.20 -0.04 0.00 0.52 -1.25 -4.47 118.95 113.80 3jyi s ARG 43 Ca -0.07 1.93 0.01 0.00 -0.52 0.00 0.00 55.73 57.07 3jyi s ARG 43 Cb -0.01 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.67 3jyi s ARG 43 CO 0.01 -1.83 -0.03 0.08 0.02 0.00 0.00 175.30 173.55 3jyi s VAL 44 N -1.71 0.44 -0.07 3.52 1.01 -1.26 -3.76 120.40 118.57 3jyi s VAL 44 Ca 0.78 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 3jyi s VAL 44 Cb -0.34 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3jyi s VAL 44 CO 0.44 0.21 0.10 -0.83 0.00 0.00 0.00 175.10 175.01 3jyi s GLY 45 N 1.03 2.05 -0.20 4.51 0.00 0.14 -4.57 107.32 110.27 3jyi s GLY 45 Ca -0.09 -0.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 3jyi s GLY 45 CO -0.01 -0.55 0.48 -0.47 0.00 0.00 0.00 173.10 172.55 3jyi s TYR 46 N -1.07 -0.77 0.03 1.90 5.04 -0.14 -1.59 117.35 120.75 3jyi s TYR 46 Ca 0.18 1.56 -0.00 0.00 -2.44 0.00 0.00 57.07 56.36 3jyi s TYR 46 Cb -0.12 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.54 3jyi s TYR 46 CO 0.08 -0.43 -0.03 -1.50 -1.34 0.00 0.00 175.55 172.33 3jyi s ILE 47 N 1.78 0.16 -0.12 3.14 2.07 -0.82 -0.56 121.20 126.86 3jyi s ILE 47 Ca -0.08 -1.20 -0.02 0.00 -1.41 0.00 0.00 60.65 57.94 3jyi s ILE 47 Cb -0.09 -0.67 0.04 0.00 0.13 0.00 0.00 42.46 41.87 3jyi s ILE 47 CO -0.14 -0.66 -0.00 -0.70 -1.91 0.00 0.00 174.94 171.53 3jyi s GLU 48 N -2.25 0.79 0.01 3.50 2.12 -0.35 -1.73 118.70 120.79 3jyi s GLU 48 Ca -0.08 -0.13 0.05 0.00 0.36 0.00 0.00 54.97 55.17 3jyi s GLU 48 Cb -0.04 -1.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 3jyi s GLU 48 CO -0.04 -0.40 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.64 3jyi s LEU 49 N 1.88 2.86 -0.11 2.70 1.43 0.12 -0.57 118.68 126.99 3jyi s LEU 49 Ca 0.03 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3jyi s LEU 49 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3jyi s LEU 49 CO -0.07 0.28 1.31 -0.62 0.23 0.00 0.00 176.35 177.49 3jyi s ASP 50 N -1.29 6.92 0.35 2.29 2.15 -0.33 -0.75 116.67 126.02 3jyi s ASP 50 Ca 0.15 1.83 0.04 0.00 0.43 0.00 0.00 52.55 55.00 3jyi s ASP 50 Cb -0.11 -2.54 0.68 0.00 -0.30 0.00 0.00 42.92 40.65 3jyi s ASP 50 CO 0.05 -0.74 1.97 0.25 -0.17 0.00 0.00 175.17 176.53 3jyi h LEU 51 N 9.33 0.72 0.00 -1.34 5.85 -1.50 0.62 115.31 128.99 3jyi h LEU 51 Ca -0.31 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3jyi h LEU 51 Cb 1.13 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3jyi h LEU 51 CO 0.94 0.48 -0.02 0.78 -0.34 0.00 0.00 178.44 180.29 3jyi h ASN 52 N 0.82 0.00 0.54 1.25 2.35 -1.91 -3.38 115.58 115.24 3jyi h ASN 52 Ca 0.29 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.97 3jyi h ASN 52 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3jyi h ASN 52 CO -0.09 0.16 -0.36 0.77 -1.65 0.00 0.00 177.43 176.25 3jyi h SER 53 N -0.30 0.00 0.00 5.81 4.64 -1.96 -3.46 113.55 118.28 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 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 3jyi n GLY 54 N -0.21 0.87 3.76 -0.77 0.00 0.22 -5.00 105.19 104.05 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 -0.08 3.39 -0.19 1.61 2.20 -1.25 -4.54 119.74 120.88 3jyi s LYS 55 Ca 0.00 2.22 -0.26 0.00 -0.36 0.00 0.00 55.97 57.57 3jyi s LYS 55 Cb 0.00 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.91 3jyi s LYS 55 CO 0.00 -0.99 0.89 0.42 -0.36 0.00 0.00 175.35 175.32 3jyi s ILE 56 N -1.30 4.82 -0.11 5.43 1.01 -1.26 -1.18 121.20 128.60 3jyi s ILE 56 Ca 0.67 1.75 0.20 0.00 0.00 0.00 0.00 60.65 63.27 3jyi s ILE 56 Cb -0.40 -4.19 -0.25 0.00 0.01 0.00 0.00 42.46 37.63 3jyi s ILE 56 CO 0.48 -0.04 0.47 0.18 0.00 0.00 0.00 174.94 176.03 3jyi n LEU 57 N 5.58 0.21 -3.61 2.97 4.77 0.27 -4.98 117.00 122.20 3jyi n LEU 57 Ca 0.07 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 3jyi n LEU 57 Cb 0.48 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3jyi n LEU 57 CO 0.49 0.15 0.67 -0.70 -1.33 0.00 0.00 177.39 176.67 3jyi s GLU 58 N -3.11 0.62 -0.00 3.23 2.56 -1.22 -4.32 118.70 116.46 3jyi s GLU 58 Ca -0.07 0.55 -0.28 0.00 0.00 0.00 0.00 54.97 55.17 3jyi s GLU 58 Cb 0.10 0.30 0.07 0.00 2.00 0.00 0.00 34.13 36.60 3jyi s GLU 58 CO 0.86 -0.11 0.63 -1.54 -0.56 0.00 0.00 175.26 174.53 3jyi s SER 59 N -0.13 -0.59 -0.21 -1.70 1.04 -1.26 -1.21 113.70 109.63 3jyi s SER 59 Ca 0.00 0.50 -0.06 0.00 0.48 0.00 0.00 55.95 56.87 3jyi s SER 59 Cb -0.04 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.71 3jyi s SER 59 CO -0.02 -0.67 0.43 0.12 0.98 0.00 0.00 173.24 174.07 3jyi s PHE 60 N -1.76 -0.84 -1.37 5.02 5.36 0.28 -4.88 117.98 119.79 3jyi s PHE 60 Ca -0.09 1.47 -0.03 0.00 -0.96 0.00 0.00 56.93 57.32 3jyi s PHE 60 Cb -0.01 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 42.99 3jyi s PHE 60 CO 0.05 -0.53 0.73 0.54 -1.46 0.00 0.00 175.22 174.55 3jyi n ARG 61 N 5.39 -4.87 0.25 10.12 1.74 -1.26 -0.97 116.66 127.07 3jyi n ARG 61 Ca -0.08 0.59 0.12 0.00 -0.77 0.00 0.00 57.85 57.71 3jyi n ARG 61 Cb 0.50 -5.18 0.75 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 -3.08 132.00 130.77 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 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 3jyi h PRO 62 CO 0.59 0.00 -0.23 0.39 -0.21 0.00 0.00 178.00 178.55 3jyi n GLU 63 N -4.24 1.35 -3.48 1.05 1.02 -1.26 -0.91 120.64 114.16 3jyi n GLU 63 Ca -0.02 -2.82 -0.24 0.00 -0.02 0.00 0.00 57.16 54.07 3jyi n GLU 63 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.90 3.48 -0.08 3.49 2.02 -1.17 -5.00 118.70 118.56 3jyi s GLU 64 Ca 0.34 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 54.82 3jyi s GLU 64 Cb 0.31 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 3jyi s GLU 64 CO -0.01 0.21 0.28 1.03 0.02 0.00 0.00 175.26 176.79 3jyi s ARG 65 N -4.19 3.82 0.07 1.61 0.52 -1.26 -4.13 118.95 115.39 3jyi s ARG 65 Ca 0.39 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.77 3jyi s ARG 65 Cb -0.10 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 3jyi s ARG 65 CO 0.34 0.62 -0.09 -0.06 0.02 0.00 0.00 175.30 176.13 3jyi s PHE 66 N -0.71 0.89 0.16 -0.53 0.08 -0.40 -4.96 117.98 112.50 3jyi s PHE 66 Ca 0.19 -0.59 -0.32 0.00 0.12 0.00 0.00 56.93 56.33 3jyi s PHE 66 Cb -0.14 -0.51 -0.12 0.00 -0.57 0.00 0.00 43.02 41.68 3jyi s PHE 66 CO 0.08 -0.05 1.73 -2.30 -0.10 0.00 0.00 175.22 174.58 3jyi n PRO 67 N 1.00 2.61 -0.16 0.24 -0.02 -1.26 -1.73 135.00 135.68 3jyi n PRO 67 Ca -0.19 0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 62.17 3jyi n PRO 67 Cb 0.56 -2.79 0.10 0.00 -0.02 0.00 0.00 33.50 31.35 3jyi n PRO 67 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3jyi h MET 68 N 7.24 0.92 0.00 -0.52 2.86 -1.56 -3.46 114.93 120.40 3jyi h MET 68 Ca -0.45 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 3jyi h MET 68 Cb 1.22 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3jyi h MET 68 CO 0.94 0.90 0.00 -1.33 1.06 0.00 0.00 176.91 178.48 3jyi n MET 69 N -4.20 0.00 0.00 1.72 2.81 -1.26 -2.63 117.12 113.56 3jyi n MET 69 Ca 0.03 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.94 3jyi n MET 69 Cb 0.31 0.00 0.09 0.00 -0.71 0.00 0.00 33.22 32.91 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 -3.09 0.00 0.33 7.83 7.64 -1.26 -2.22 113.62 122.84 3jyi n SER 70 Ca 0.00 0.18 0.21 0.00 1.01 0.00 0.00 58.87 60.27 3jyi n SER 70 Cb 0.00 -0.24 1.13 0.00 -1.01 0.00 0.00 64.21 64.10 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 0.07 0.00 0.44 2.02 -1.63 -1.65 112.91 112.17 3jyi h THR 71 Ca 0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 3jyi h THR 71 Cb 0.03 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3jyi h THR 71 CO 0.00 0.00 -0.18 2.19 0.37 0.00 0.00 175.52 177.91 3jyi h PHE 72 N 0.00 0.00 -0.05 3.16 -5.15 -1.65 -3.22 116.94 110.03 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 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.22 3jyi h PHE 72 CO 0.00 0.18 0.05 0.87 -2.00 0.00 0.00 178.31 177.41 3jyi h LYS 73 N 0.00 0.00 -0.09 6.09 1.57 -1.55 0.12 116.57 122.70 3jyi h LYS 73 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 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 0.02 0.00 -0.14 0.28 -0.57 0.00 0.00 179.45 179.04 3jyi h VAL 74 N 0.00 1.39 -0.78 0.50 2.07 -1.77 -2.25 116.25 115.41 3jyi h VAL 74 Ca 0.02 -1.38 0.09 0.00 0.82 0.00 0.00 66.70 66.26 3jyi h VAL 74 Cb 0.13 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 3jyi h VAL 74 CO -0.00 0.39 0.42 -0.07 0.02 0.00 0.00 177.57 178.33 3jyi h LEU 75 N -0.19 0.59 0.23 2.57 4.07 -1.16 -1.24 115.31 120.19 3jyi h LEU 75 Ca 0.01 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.03 3jyi h LEU 75 Cb 0.70 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 3jyi h LEU 75 CO 0.03 0.34 -0.27 0.25 -1.08 0.00 0.00 178.44 177.71 3jyi h LEU 76 N 0.71 -0.73 -1.86 1.67 5.85 -0.83 -1.59 115.31 118.53 3jyi h LEU 76 Ca 0.38 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3jyi h LEU 76 Cb 0.36 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3jyi h LEU 76 CO -0.25 -0.38 0.00 0.00 -0.34 0.00 0.00 178.44 177.47 3jyi h GLY 78 N 1.52 0.78 0.98 0.00 0.00 -0.59 -1.79 103.07 103.97 3jyi h GLY 78 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3jyi h GLY 78 CO 0.00 0.57 0.15 0.00 0.00 0.00 0.00 176.54 177.25 3jyi h ALA 79 N 0.85 0.67 -0.49 3.60 0.00 -0.24 -1.21 119.26 122.44 3jyi h ALA 79 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3jyi h ALA 79 Cb 0.56 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3jyi h ALA 79 CO 0.03 0.34 0.27 0.28 0.00 0.00 0.00 179.25 180.18 3jyi h VAL 80 N 0.70 1.01 -0.28 0.00 2.07 -1.25 -2.44 116.25 116.07 3jyi h VAL 80 Ca 0.16 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 3jyi h VAL 80 Cb 0.30 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3jyi h VAL 80 CO -0.00 0.10 -0.15 -0.07 0.02 0.00 0.00 177.57 177.46 3jyi h LEU 81 N 0.54 0.47 -1.33 2.57 3.38 -1.17 -1.76 115.31 118.01 3jyi h LEU 81 Ca 0.20 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3jyi h LEU 81 Cb 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3jyi h LEU 81 CO -0.11 0.65 0.47 -1.28 0.09 0.00 0.00 178.44 178.25 3jyi h SER 82 N 0.44 0.77 -0.01 -0.43 0.87 -0.77 -1.31 113.55 113.11 3jyi h SER 82 Ca 0.08 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 3jyi h SER 82 Cb 0.53 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3jyi h SER 82 CO 0.03 0.54 -0.82 0.03 -0.53 0.00 0.00 176.83 176.09 3jyi h ARG 83 N 0.90 0.56 -0.72 2.24 3.08 -1.00 -2.83 114.38 116.62 3jyi h ARG 83 Ca 0.27 -0.60 0.13 0.00 0.07 0.00 0.00 59.98 59.85 3jyi h ARG 83 Cb -0.02 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 3jyi h ARG 83 CO -0.07 1.22 0.27 0.28 -1.07 0.00 0.00 179.97 180.60 3jyi h VAL 84 N 0.16 0.68 -0.04 2.04 2.07 -0.93 0.28 116.25 120.51 3jyi h VAL 84 Ca -0.10 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3jyi h VAL 84 Cb 1.50 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3jyi h VAL 84 CO 0.16 0.08 0.03 0.44 0.02 0.00 0.00 177.57 178.30 3jyi h ASP 85 N 0.42 0.00 -0.58 0.57 3.32 -1.21 -2.69 116.42 116.25 3jyi h ASP 85 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3jyi h ASP 85 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3jyi h ASP 85 CO -0.39 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.13 3jyi n ALA 86 N -2.49 2.39 -1.30 3.45 0.00 0.89 -4.94 120.51 118.51 3jyi n ALA 86 Ca -0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 53.44 52.19 3jyi n ALA 86 Cb 0.13 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 1.57 0.69 0.57 0.00 0.00 -0.54 -4.91 105.19 102.58 3jyi n GLY 87 Ca 0.22 -0.79 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 -2.64 2.74 -3.53 1.61 6.02 -0.56 -5.00 117.38 116.03 3jyi n GLN 88 Ca -0.06 -1.95 -0.10 0.00 -0.01 0.00 0.00 57.00 54.89 3jyi n GLN 88 Cb 0.23 -1.24 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 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 -0.99 0.78 -0.06 -1.09 2.56 -1.24 -4.84 118.70 113.82 3jyi s GLU 89 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 54.97 55.07 3jyi s GLU 89 Cb 0.11 0.36 0.02 0.00 2.00 0.00 0.00 34.13 36.62 3jyi s GLU 89 CO 0.14 -0.31 -0.07 -0.65 -0.56 0.00 0.00 175.26 173.82 3jyi s GLN 90 N -2.31 1.17 0.55 4.30 -0.21 -1.26 -4.19 119.66 117.72 3jyi s GLN 90 Ca 0.01 -0.19 0.26 0.00 0.02 0.00 0.00 55.36 55.46 3jyi s GLN 90 Cb -0.01 -1.14 1.47 0.00 1.00 0.00 0.00 33.01 34.33 3jyi s GLN 90 CO -0.04 -0.11 2.02 -0.07 -2.12 0.00 0.00 175.29 174.97 3jyi h LEU 91 N 7.41 0.00 -0.05 2.90 4.07 -1.97 -1.14 115.31 126.53 3jyi h LEU 91 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3jyi h LEU 91 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3jyi h LEU 91 CO 0.44 0.00 -0.22 0.61 -1.08 0.00 0.00 178.44 178.18 3jyi n GLY 92 N -1.55 -1.28 3.74 0.83 0.00 -1.26 -1.45 105.19 104.22 3jyi n GLY 92 Ca 0.07 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.89 4.12 -0.14 1.61 3.52 -0.43 -4.75 118.95 119.99 3jyi s ARG 93 Ca 0.16 2.59 -0.07 0.00 -0.13 0.00 0.00 55.73 58.28 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 0.59 -0.69 0.10 0.50 -0.81 0.00 0.00 175.30 174.99 3jyi s ARG 94 N 0.26 3.62 -0.08 5.12 3.52 -1.26 -1.37 118.95 128.76 3jyi s ARG 94 Ca 0.68 -0.23 0.05 0.00 -0.13 0.00 0.00 55.73 56.10 3jyi s ARG 94 Cb -0.49 -3.18 -0.00 0.00 -1.56 0.00 0.00 34.95 29.72 3jyi s ARG 94 CO 0.41 0.57 -0.23 0.42 -0.81 0.00 0.00 175.30 175.66 3jyi s ILE 95 N -0.46 1.97 -0.04 4.11 1.01 0.80 -4.94 121.20 123.65 3jyi s ILE 95 Ca 0.11 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3jyi s ILE 95 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3jyi s ILE 95 CO 0.02 0.54 -0.05 -1.00 0.00 0.00 0.00 174.94 174.46 3jyi s HIS 96 N 0.15 2.98 0.27 3.97 3.76 -1.26 -1.33 115.29 123.83 3jyi s HIS 96 Ca -0.12 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.85 3jyi s HIS 96 Cb -0.16 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3jyi s HIS 96 CO 0.06 0.38 0.25 1.52 -0.85 0.00 0.00 174.74 176.11 3jyi s TYR 97 N -0.91 1.37 0.23 1.40 -0.85 -1.26 -5.06 117.35 112.27 3jyi s TYR 97 Ca 0.15 -1.46 0.09 0.00 -0.52 0.00 0.00 57.07 55.33 3jyi s TYR 97 Cb -0.11 -0.54 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 3jyi s TYR 97 CO 0.04 -0.81 -0.03 0.45 -1.52 0.00 0.00 175.55 173.68 3jyi s SER 98 N -3.25 4.47 0.41 -0.18 0.15 -1.26 -4.88 113.70 109.16 3jyi s SER 98 Ca 0.38 -0.61 0.22 0.00 0.70 0.00 0.00 55.95 56.64 3jyi s SER 98 Cb 0.04 -0.82 1.21 0.00 -1.71 0.00 0.00 66.02 64.74 3jyi s SER 98 CO 0.19 0.04 1.71 -0.61 1.20 0.00 0.00 173.24 175.77 3jyi h GLN 99 N 2.24 0.27 0.00 5.44 5.75 -1.98 0.12 115.11 126.95 3jyi h GLN 99 Ca -0.45 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3jyi h GLN 99 Cb 1.23 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.72 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 -4.70 0.00 0.01 -0.69 5.15 -1.26 -2.69 115.26 111.08 3jyi n ASN 100 Ca 0.30 0.41 -0.06 0.00 -0.60 0.00 0.00 54.58 54.64 3jyi n ASN 100 Cb 1.08 -0.46 -0.12 0.00 -0.53 0.00 0.00 39.78 39.75 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 -2.39 1.20 3.32 -1.15 -3.47 116.42 113.93 3jyi h ASP 101 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3jyi h ASP 101 Cb 0.26 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.87 3jyi h ASP 101 CO 0.00 0.87 0.91 0.18 -1.72 0.00 0.00 179.24 179.49 3jyi n LEU 102 N -3.04 3.48 0.00 1.55 4.32 -1.10 -4.91 117.00 117.30 3jyi n LEU 102 Ca -0.13 1.06 -0.11 0.00 -0.02 0.00 0.00 56.01 56.82 3jyi n LEU 102 Cb 0.98 -1.48 -0.00 0.00 -1.62 0.00 0.00 43.42 41.29 3jyi n LEU 102 CO 0.44 -0.09 0.02 1.33 -1.22 0.00 0.00 177.39 177.88 3jyi n VAL 103 N 3.81 0.00 -1.70 4.08 0.24 -1.26 -5.07 118.33 118.43 3jyi n VAL 103 Ca 0.17 -0.88 -0.43 0.00 -2.04 0.00 0.00 64.34 61.16 3jyi n VAL 103 Cb 0.31 -0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.99 2.24 -2.78 7.34 2.13 -1.26 -4.14 120.64 123.18 3jyi n GLU 104 Ca -0.01 0.79 -0.06 0.00 0.66 0.00 0.00 57.16 58.54 3jyi n GLU 104 Cb 0.25 -2.47 0.01 0.00 0.27 0.00 0.00 31.44 29.50 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 1.67 -3.11 -3.16 4.31 9.36 -1.26 -4.60 117.16 120.37 3jyi n TYR 105 Ca 0.09 1.24 -0.22 0.00 3.32 0.00 0.00 57.90 62.33 3jyi n TYR 105 Cb 0.34 -3.89 -0.05 0.00 -0.63 0.00 0.00 39.34 35.11 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 -0.61 1.87 -0.27 2.98 7.64 -1.26 -1.82 113.62 122.16 3jyi n SER 106 Ca 0.09 -3.15 0.06 0.00 1.01 0.00 0.00 58.87 56.88 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 3.34 0.44 0.01 1.43 0.13 -1.95 -1.82 132.00 133.58 3jyi h PRO 107 Ca 0.11 -0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.84 3jyi h PRO 107 Cb 0.81 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 3jyi h PRO 107 CO 0.60 0.29 -2.36 1.55 -0.23 0.00 0.00 178.00 177.86 3jyi n VAL 108 N -5.00 1.48 0.04 1.56 3.14 -1.26 -4.46 118.33 113.83 3jyi n VAL 108 Ca 0.15 -0.71 -0.02 0.00 -2.96 0.00 0.00 64.34 60.81 3jyi n VAL 108 Cb 0.44 -1.03 0.24 0.00 -1.06 0.00 0.00 33.84 32.43 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 1.25 -0.99 1.55 1.35 -1.96 -2.29 112.91 111.83 3jyi h THR 109 Ca -0.54 -1.19 0.29 0.00 -0.55 0.00 0.00 66.41 64.42 3jyi h THR 109 Cb 2.06 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 69.77 3jyi h THR 109 CO -0.02 0.37 0.79 -0.33 -0.25 0.00 0.00 175.52 176.08 3jyi h GLU 110 N 0.38 0.00 -0.70 4.72 5.08 -1.55 -2.50 114.58 120.01 3jyi h GLU 110 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3jyi h GLU 110 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3jyi h GLU 110 CO 0.04 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 3jyi n LYS 111 N -4.01 2.61 -2.69 2.33 5.02 -0.86 -4.31 118.16 116.26 3jyi n LYS 111 Ca 0.21 -2.51 -0.06 0.00 -2.02 0.00 0.00 58.31 53.93 3jyi n LYS 111 Cb 1.12 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 34.63 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 1.49 -0.08 2.13 8.25 -0.94 -4.88 115.22 122.73 3jyi n HIS 112 Ca 0.23 -2.39 -0.15 0.00 -0.26 0.00 0.00 57.72 55.16 3jyi n HIS 112 Cb 0.59 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 2.68 0.93 -0.03 2.41 3.38 -1.75 -1.64 115.31 121.30 3jyi h LEU 113 Ca -0.05 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 3jyi h LEU 113 Cb 1.25 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.74 3jyi h LEU 113 CO 0.37 1.28 -0.40 0.71 0.09 0.00 0.00 178.44 180.48 3jyi h THR 114 N 0.62 1.46 0.00 0.22 1.35 -1.90 -3.38 112.91 111.28 3jyi h THR 114 Ca 0.02 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3jyi h THR 114 Cb 1.09 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3jyi h THR 114 CO 0.11 0.54 -0.95 -0.90 -0.25 0.00 0.00 175.52 174.08 3jyi n ASP 115 N -4.37 0.79 -0.63 5.36 5.75 -1.25 -5.04 116.55 117.15 3jyi n ASP 115 Ca -0.09 -0.69 0.01 0.00 -0.01 0.00 0.00 54.79 54.01 3jyi n ASP 115 Cb 0.56 0.86 -0.00 0.00 -1.03 0.00 0.00 41.12 41.51 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 1.47 -1.47 3.15 6.12 0.00 -0.62 -4.93 105.19 108.92 3jyi n GLY 116 Ca 0.04 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.19 0.61 0.64 1.61 -1.94 -0.45 -4.88 119.30 114.70 3jyi s MET 117 Ca 0.00 -0.53 -0.09 0.00 -1.71 0.00 0.00 55.69 53.35 3jyi s MET 117 Cb 0.00 0.25 -0.00 0.00 2.01 0.00 0.00 34.83 37.09 3jyi s MET 117 CO 0.00 -0.16 1.01 0.95 -0.01 0.00 0.00 175.02 176.80 3jyi s THR 118 N -2.07 3.86 0.29 2.05 -4.23 -1.26 -0.14 115.64 114.14 3jyi s THR 118 Ca -0.09 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3jyi s THR 118 Cb -0.04 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.50 3jyi s THR 118 CO -0.01 -0.69 1.93 0.58 -0.54 0.00 0.00 174.62 175.88 3jyi h VAL 119 N -0.39 1.15 0.05 2.29 2.07 -1.10 -0.77 116.25 119.54 3jyi h VAL 119 Ca -0.45 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 66.70 3jyi h VAL 119 Cb 1.24 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3jyi h VAL 119 CO 0.62 0.21 -0.11 -0.09 0.02 0.00 0.00 177.57 178.22 3jyi h ARG 120 N 1.13 -0.20 -0.04 1.57 2.43 -1.54 -1.44 114.38 116.28 3jyi h ARG 120 Ca 0.36 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 3jyi h ARG 120 Cb 0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3jyi h ARG 120 CO -0.11 -0.14 -0.12 0.93 -1.51 0.00 0.00 179.97 179.02 3jyi h GLU 121 N -0.21 0.06 -0.09 0.20 5.08 -1.70 -1.60 114.58 116.31 3jyi h GLU 121 Ca 0.02 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3jyi h GLU 121 Cb 0.24 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.48 3jyi h GLU 121 CO -0.07 0.18 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.64 3jyi h LEU 122 N 0.06 0.52 -0.82 1.33 4.07 -0.82 -1.47 115.31 118.18 3jyi h LEU 122 Ca 0.01 -0.64 -0.06 0.00 0.08 0.00 0.00 57.88 57.27 3jyi h LEU 122 Cb 0.25 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3jyi h LEU 122 CO 0.02 1.07 0.16 0.00 -1.08 0.00 0.00 178.44 178.61 3jyi h SER 124 N 1.00 0.48 0.13 0.00 0.87 -1.29 -1.89 113.55 112.85 3jyi h SER 124 Ca 0.21 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 3jyi h SER 124 Cb 0.35 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3jyi h SER 124 CO 0.00 0.52 -0.36 0.00 -0.53 0.00 0.00 176.83 176.46 3jyi h ALA 125 N 0.98 1.11 -0.07 6.23 0.00 -0.79 0.21 119.26 126.93 3jyi h ALA 125 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3jyi h ALA 125 Cb 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3jyi h ALA 125 CO -0.01 0.57 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 3jyi h ALA 126 N 1.35 0.11 0.10 0.00 0.00 -0.45 -1.54 119.26 118.83 3jyi h ALA 126 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 3jyi h ALA 126 Cb 0.76 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.55 3jyi h ALA 126 CO 0.06 -0.03 -0.72 0.82 0.00 0.00 0.00 179.25 179.39 3jyi h ILE 127 N -0.26 1.50 0.05 0.00 2.04 -1.32 -2.01 117.51 117.50 3jyi h ILE 127 Ca 0.01 -2.39 -0.26 0.00 1.00 0.00 0.00 64.86 63.21 3jyi h ILE 127 Cb 0.66 3.04 0.02 0.00 -0.74 0.00 0.00 36.82 39.80 3jyi h ILE 127 CO 0.03 0.68 -1.09 0.74 0.00 0.00 0.00 178.15 178.51 3jyi h THR 128 N -0.32 1.34 -0.04 -0.27 2.02 -0.72 -3.34 112.91 111.58 3jyi h THR 128 Ca -0.12 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.61 3jyi h THR 128 Cb 1.52 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 3jyi h THR 128 CO 0.14 0.74 0.00 0.23 0.37 0.00 0.00 175.52 177.00 3jyi n MET 129 N -3.77 1.08 -2.07 6.66 2.81 -0.84 -1.64 117.12 119.36 3jyi n MET 129 Ca -0.10 -1.11 -0.15 0.00 -1.81 0.00 0.00 57.70 54.53 3jyi n MET 129 Cb 0.91 -1.05 -0.03 0.00 -0.71 0.00 0.00 33.22 32.34 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 -0.07 -4.44 -4.68 7.83 2.88 -0.76 -4.88 113.62 109.50 3jyi n SER 130 Ca 0.02 0.21 -0.46 0.00 -1.33 0.00 0.00 58.87 57.31 3jyi n SER 130 Cb 0.17 -3.85 -0.04 0.00 -0.75 0.00 0.00 64.21 59.74 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 -1.47 3.36 -0.01 -3.46 4.64 -0.64 -4.93 116.55 114.04 3jyi n ASP 131 Ca -0.17 1.02 -0.17 0.00 -1.38 0.00 0.00 54.79 54.10 3jyi n ASP 131 Cb 0.59 -1.42 -0.11 0.00 -1.04 0.00 0.00 41.12 39.14 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 7.63 0.40 -0.83 1.67 2.35 -1.61 -2.99 115.58 122.21 3jyi h ASN 132 Ca -0.47 -0.77 -0.02 0.00 -0.55 0.00 0.00 56.30 54.49 3jyi h ASN 132 Cb 1.26 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 3jyi h ASN 132 CO 0.92 1.12 0.44 0.74 -1.65 0.00 0.00 177.43 179.00 3jyi h THR 133 N -0.27 1.25 -0.57 2.81 2.02 -1.85 -2.03 112.91 114.27 3jyi h THR 133 Ca -0.06 -0.64 0.08 0.00 0.77 0.00 0.00 66.41 66.57 3jyi h THR 133 Cb 1.19 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.67 3jyi h THR 133 CO 0.09 0.28 0.20 0.00 0.37 0.00 0.00 175.52 176.47 3jyi h ALA 134 N 1.31 0.72 -0.51 6.16 0.00 -1.90 -0.18 119.26 124.85 3jyi h ALA 134 Ca 0.29 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3jyi h ALA 134 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3jyi h ALA 134 CO -0.04 -0.20 0.21 0.00 0.00 0.00 0.00 179.25 179.21 3jyi h ALA 135 N 1.39 0.66 0.50 0.00 0.00 -1.24 -2.22 119.26 118.35 3jyi h ALA 135 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3jyi h ALA 135 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jyi h ALA 135 CO -0.29 0.27 -0.24 -0.91 0.00 0.00 0.00 179.25 178.08 3jyi h ASN 136 N 0.69 -0.57 -0.91 0.00 2.35 -0.79 -0.32 115.58 116.04 3jyi h ASN 136 Ca 0.17 0.02 0.25 0.00 -0.55 0.00 0.00 56.30 56.19 3jyi h ASN 136 Cb 0.19 0.15 -0.15 0.00 0.05 0.00 0.00 38.32 38.56 3jyi h ASN 136 CO -0.01 -0.40 0.27 -0.07 -1.65 0.00 0.00 177.43 175.56 3jyi h LEU 137 N -0.68 0.03 -0.71 1.61 4.07 -1.00 0.12 115.31 118.75 3jyi h LEU 137 Ca -0.07 0.21 -0.14 0.00 0.08 0.00 0.00 57.88 57.96 3jyi h LEU 137 Cb 0.52 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 3jyi h LEU 137 CO 0.11 -0.18 -0.56 -0.07 -1.08 0.00 0.00 178.44 176.66 3jyi h LEU 138 N 0.20 0.27 -0.43 1.67 3.38 -0.95 -2.20 115.31 117.26 3jyi h LEU 138 Ca 0.59 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 3jyi h LEU 138 Cb 1.22 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3jyi h LEU 138 CO -0.68 0.78 0.08 -0.07 0.09 0.00 0.00 178.44 178.64 3jyi h LEU 139 N 0.19 0.67 -0.49 1.67 3.38 0.95 -2.61 115.31 119.08 3jyi h LEU 139 Ca -0.00 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.80 3jyi h LEU 139 Cb 1.05 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 3jyi h LEU 139 CO 0.09 0.75 0.12 0.74 0.09 0.00 0.00 178.44 180.23 3jyi h THR 140 N 0.57 0.75 -1.00 0.22 2.02 -0.99 0.49 112.91 114.97 3jyi h THR 140 Ca 0.13 -0.09 0.38 0.00 0.77 0.00 0.00 66.41 67.60 3jyi h THR 140 Cb 0.36 0.47 -0.17 0.00 -1.74 0.00 0.00 68.15 67.07 3jyi h THR 140 CO 0.01 0.05 0.48 0.74 0.37 0.00 0.00 175.52 177.16 3jyi h THR 141 N 0.26 0.07 -0.01 3.16 2.02 -1.00 -2.22 112.91 115.18 3jyi h THR 141 Ca 0.24 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3jyi h THR 141 Cb 0.31 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3jyi h THR 141 CO -0.30 0.01 -0.09 2.30 0.37 0.00 0.00 175.52 177.82 3jyi n ILE 142 N -5.24 0.00 0.00 3.11 -5.35 -0.62 -4.97 119.36 106.28 3jyi n ILE 142 Ca 0.35 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3jyi n ILE 142 Cb 1.15 1.23 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 0.82 1.13 0.00 3.28 0.00 -0.49 -4.75 105.19 105.18 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 -1.71 -0.54 0.35 -0.02 0.00 0.16 -4.31 105.19 99.12 3jyi n GLY 144 Ca 0.00 -1.79 0.19 0.00 0.00 0.00 0.00 46.02 44.42 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 0.53 -0.44 1.61 0.11 -1.86 -0.34 132.00 131.61 3jyi h PRO 145 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3jyi h PRO 145 Cb 0.00 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3jyi h PRO 145 CO 0.00 0.35 0.24 0.87 -0.21 0.00 0.00 178.00 179.25 3jyi h LYS 146 N 0.54 0.59 0.05 1.05 1.57 -1.80 -1.53 116.57 117.06 3jyi h LYS 146 Ca 0.65 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 59.09 3jyi h LYS 146 Cb 1.29 -0.13 0.03 0.00 0.08 0.00 0.00 32.23 33.50 3jyi h LYS 146 CO -0.47 0.44 -1.14 0.93 -0.57 0.00 0.00 179.45 178.64 3jyi h GLU 147 N 0.60 0.67 -0.55 3.15 4.39 -1.25 -1.73 114.58 119.88 3jyi h GLU 147 Ca 0.16 -0.80 0.08 0.00 0.34 0.00 0.00 59.36 59.14 3jyi h GLU 147 Cb 0.01 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 3jyi h GLU 147 CO -0.03 1.35 0.18 1.25 -1.16 0.00 0.00 179.01 180.61 3jyi h LEU 148 N 0.35 0.17 -1.05 1.33 6.46 -1.32 0.91 115.31 122.16 3jyi h LEU 148 Ca -0.16 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 3jyi h LEU 148 Cb 1.80 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.76 3jyi h LEU 148 CO 0.22 0.11 0.34 0.74 -0.62 0.00 0.00 178.44 179.24 3jyi h THR 149 N 0.36 1.23 -0.33 1.05 2.02 -1.22 -1.76 112.91 114.26 3jyi h THR 149 Ca 0.27 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3jyi h THR 149 Cb 0.32 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3jyi h THR 149 CO -0.29 0.27 0.11 0.00 0.37 0.00 0.00 175.52 175.99 3jyi h ALA 150 N 1.36 0.43 -0.52 6.16 0.00 -0.64 -2.31 119.26 123.74 3jyi h ALA 150 Ca 0.25 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3jyi h ALA 150 Cb 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3jyi h ALA 150 CO -0.03 0.05 0.21 0.35 0.00 0.00 0.00 179.25 179.83 3jyi h PHE 151 N 0.38 0.38 -0.53 0.00 3.57 -0.37 -1.52 116.94 118.85 3jyi h PHE 151 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3jyi h PHE 151 Cb 0.22 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3jyi h PHE 151 CO 0.00 0.14 0.31 -0.07 -2.23 0.00 0.00 178.31 176.47 3jyi h LEU 152 N 0.41 0.50 -0.55 0.59 4.07 -1.21 -2.79 115.31 116.32 3jyi h LEU 152 Ca 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 3jyi h LEU 152 Cb 0.23 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 3jyi h LEU 152 CO -0.22 0.35 0.31 -0.74 -1.08 0.00 0.00 178.44 177.06 3jyi h HIS 153 N 0.61 0.75 0.00 1.13 2.76 -1.01 -1.95 115.15 117.44 3jyi h HIS 153 Ca 0.22 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3jyi h HIS 153 Cb 0.04 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.76 3jyi h HIS 153 CO -0.07 0.54 0.00 0.09 -1.30 0.00 0.00 177.93 177.20 3jyi n ASN 154 N -4.62 0.58 -0.87 3.26 3.02 -0.61 -1.37 115.26 114.65 3jyi n ASN 154 Ca 0.03 0.70 0.08 0.00 -0.03 0.00 0.00 54.58 55.36 3jyi n ASN 154 Cb 0.08 -0.80 0.18 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.20 2.36 0.00 3.52 0.00 -0.96 -4.97 117.12 114.87 3jyi n MET 155 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 57.70 55.63 3jyi n MET 155 Cb 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 31.97 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 0.87 3.36 3.17 0.00 -0.47 -5.05 105.19 108.07 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 -2.25 6.19 -0.26 1.61 -1.08 -0.77 -4.90 116.67 115.20 3jyi s ASP 157 Ca 0.00 -1.52 0.13 0.00 -0.52 0.00 0.00 52.55 50.64 3jyi s ASP 157 Cb 0.00 -2.25 0.81 0.00 -1.46 0.00 0.00 42.92 40.02 3jyi s ASP 157 CO 0.00 -0.94 1.77 1.41 0.52 0.00 0.00 175.17 177.93 3jyi n HIS 158 N 5.75 2.19 0.02 -5.34 8.25 -1.26 -3.05 115.22 121.77 3jyi n HIS 158 Ca -0.11 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 3jyi n HIS 158 Cb 0.42 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 0.44 0.36 -1.89 1.59 0.31 -1.26 -5.03 118.33 112.84 3jyi n VAL 159 Ca 0.31 0.12 -0.41 0.00 -0.01 0.00 0.00 64.34 64.35 3jyi n VAL 159 Cb 1.25 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 -2.00 2.25 -0.24 2.52 2.01 -1.26 -4.77 115.64 114.14 3jyi s THR 160 Ca 0.00 0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 3jyi s THR 160 Cb 0.00 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.44 3jyi s THR 160 CO 0.00 0.05 0.59 0.00 -0.69 0.00 0.00 174.62 174.58 3jyi s ARG 161 N -2.11 0.60 -0.09 4.92 1.70 -0.99 -4.88 118.95 118.10 3jyi s ARG 161 Ca 0.54 1.10 -0.01 0.00 -0.47 0.00 0.00 55.73 56.89 3jyi s ARG 161 Cb -0.44 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.04 3jyi s ARG 161 CO 0.59 -0.16 -0.04 -1.17 -1.08 0.00 0.00 175.30 173.43 3jyi s LEU 162 N 1.65 3.29 0.00 -1.89 2.96 -1.26 -2.95 118.68 120.48 3jyi s LEU 162 Ca -0.09 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3jyi s LEU 162 Cb -0.07 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3jyi s LEU 162 CO -0.18 0.32 0.00 0.47 -1.32 0.00 0.00 176.35 175.65 3jyi n ASP 163 N 2.51 3.15 -4.68 3.68 8.00 -1.26 -4.28 116.55 123.66 3jyi n ASP 163 Ca -0.18 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.99 3jyi n ASP 163 Cb 0.53 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.67 2.20 0.45 -1.24 0.52 -1.26 -4.87 118.95 113.08 3jyi s ARG 164 Ca 0.00 -2.42 0.06 0.00 -0.52 0.00 0.00 55.73 52.85 3jyi s ARG 164 Cb 0.00 -1.38 0.06 0.00 0.52 0.00 0.00 34.95 34.15 3jyi s ARG 164 CO 0.00 -0.43 0.50 0.91 0.02 0.00 0.00 175.30 176.31 3jyi n TRP 165 N -1.26 -1.72 -2.91 -0.53 7.02 -1.26 -4.75 117.44 112.03 3jyi n TRP 165 Ca -0.19 -1.75 -0.39 0.00 -1.02 0.00 0.00 57.50 54.14 3jyi n TRP 165 Cb 0.67 -0.40 -0.06 0.00 -2.42 0.00 0.00 31.31 29.09 3jyi n TRP 165 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3jyi s GLU 166 N -3.96 4.65 0.00 -0.99 0.41 -1.26 -1.53 118.70 116.01 3jyi s GLU 166 Ca 0.38 1.26 0.26 0.00 -0.41 0.00 0.00 54.97 56.46 3jyi s GLU 166 Cb -0.03 -3.23 0.64 0.00 -1.78 0.00 0.00 34.13 29.73 3jyi s GLU 166 CO 0.24 0.54 1.51 -2.30 -0.49 0.00 0.00 175.26 174.75 3jyi n PRO 167 N 1.48 1.73 0.00 0.39 -0.02 -1.26 -4.93 135.00 132.38 3jyi n PRO 167 Ca -0.04 -1.22 0.10 0.00 -2.02 0.00 0.00 63.50 60.32 3jyi n PRO 167 Cb 0.48 -1.47 0.45 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 0.43 0.09 0.00 -0.52 0.00 -0.88 -2.98 120.64 116.77 3jyi n GLU 168 Ca 0.16 0.14 0.11 0.00 0.00 0.00 0.00 57.16 57.57 3jyi n GLU 168 Cb 0.44 -1.50 0.58 0.00 0.00 0.00 0.00 31.44 30.97 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 -1.44 0.00 -2.26 -1.84 -0.00 -0.58 -3.47 117.00 107.41 3jyi n LEU 169 Ca 0.06 0.29 -0.31 0.00 -0.00 0.00 0.00 56.01 56.06 3jyi n LEU 169 Cb 0.21 -0.29 0.05 0.00 -0.00 0.00 0.00 43.42 43.39 3jyi n LEU 169 CO 0.17 -0.07 0.92 0.61 -0.00 0.00 0.00 177.39 179.02 3jyi n GLY 170 N 0.70 6.06 0.09 1.47 0.00 -1.16 -4.63 105.19 107.72 3jyi n GLY 170 Ca 0.11 -2.48 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 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 2.17 0.08 -6.14 1.61 4.81 -1.83 -0.56 114.58 114.72 3jyi h GLU 171 Ca 0.50 -0.14 -0.44 0.00 -0.13 0.00 0.00 59.36 59.15 3jyi h GLU 171 Cb 1.04 0.05 0.03 0.00 0.63 0.00 0.00 28.75 30.49 3jyi h GLU 171 CO 1.23 0.75 -0.76 0.00 -0.73 0.00 0.00 179.01 179.50 3jyi n ALA 172 N -2.63 -1.49 -1.72 2.92 0.00 -1.26 -4.59 120.51 111.74 3jyi n ALA 172 Ca -0.18 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 3jyi n ALA 172 Cb 1.04 -4.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 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 -4.63 0.24 -1.64 0.00 5.41 -1.26 -4.88 119.36 112.60 3jyi n ILE 173 Ca -0.06 -0.06 -0.47 0.00 1.00 0.00 0.00 62.75 63.17 3jyi n ILE 173 Cb 0.57 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 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 3.48 1.73 0.00 0.38 -0.02 -1.26 -1.32 135.00 137.99 3jyi n PRO 174 Ca 0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3jyi n PRO 174 Cb 0.34 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.30 0.00 -4.67 2.55 3.02 -1.26 -4.98 115.26 112.23 3jyi n ASN 175 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3jyi n ASN 175 Cb 0.28 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.52 6.75 0.00 6.41 -1.08 -0.43 -4.90 116.67 120.89 3jyi s ASP 176 Ca 0.00 2.13 0.27 0.00 -0.52 0.00 0.00 52.55 54.43 3jyi s ASP 176 Cb 0.00 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.86 3jyi s ASP 176 CO 0.00 -0.86 1.68 -0.62 0.52 0.00 0.00 175.17 175.89 3jyi n GLU 177 N 6.62 1.00 -1.95 4.34 1.02 -1.26 -4.83 120.64 125.57 3jyi n GLU 177 Ca 0.16 -0.54 -0.41 0.00 -0.02 0.00 0.00 57.16 56.35 3jyi n GLU 177 Cb 0.43 -1.49 -0.02 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 -2.37 4.23 -1.22 3.49 0.52 -1.26 -3.37 118.95 118.97 3jyi s ARG 178 Ca 0.29 2.39 -0.05 0.00 -0.52 0.00 0.00 55.73 57.84 3jyi s ARG 178 Cb 0.20 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.63 3jyi s ARG 178 CO 0.47 -0.41 0.60 -0.25 0.02 0.00 0.00 175.30 175.72 3jyi n ASP 179 N 1.31 -5.32 -4.48 0.23 8.00 -1.15 -4.92 116.55 110.22 3jyi n ASP 179 Ca 0.03 -0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.01 3jyi n ASP 179 Cb 0.40 -4.11 -0.10 0.00 -0.02 0.00 0.00 41.12 37.30 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 -3.10 2.49 0.33 -3.53 -4.23 -1.17 -1.42 115.64 105.01 3jyi s THR 180 Ca 0.30 -2.38 0.06 0.00 -1.18 0.00 0.00 61.69 58.49 3jyi s THR 180 Cb -0.13 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 3jyi s THR 180 CO 0.37 -0.39 0.25 0.28 -0.54 0.00 0.00 174.62 174.59 3jyi s THR 181 N -2.51 0.07 0.09 3.99 -1.32 -0.71 -2.33 115.64 112.92 3jyi s THR 181 Ca 0.30 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.85 3jyi s THR 181 Cb -0.05 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 3jyi s THR 181 CO 0.15 0.00 -0.10 -0.04 -2.21 0.00 0.00 174.62 172.43 3jyi s MET 182 N -3.52 2.18 0.22 7.08 -1.94 -1.26 -1.27 119.30 120.79 3jyi s MET 182 Ca 0.38 -0.99 -0.07 0.00 -1.71 0.00 0.00 55.69 53.30 3jyi s MET 182 Cb 0.03 -2.33 0.35 0.00 2.01 0.00 0.00 34.83 34.89 3jyi s MET 182 CO 0.25 0.52 1.73 -1.35 -0.01 0.00 0.00 175.02 176.16 3jyi h PRO 183 N 3.70 0.40 -0.89 2.03 0.11 -1.69 -1.48 132.00 134.19 3jyi h PRO 183 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jyi h PRO 183 Cb 1.17 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3jyi h PRO 183 CO 0.52 0.27 0.55 0.00 -0.21 0.00 0.00 178.00 179.13 3jyi h ALA 184 N 1.48 1.29 0.20 -0.75 0.00 -1.36 -2.49 119.26 117.64 3jyi h ALA 184 Ca 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3jyi h ALA 184 Cb 0.49 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3jyi h ALA 184 CO -0.36 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.41 3jyi h ALA 185 N 1.38 -0.28 -0.95 0.00 0.00 -1.60 -2.22 119.26 115.60 3jyi h ALA 185 Ca 0.32 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.21 3jyi h ALA 185 Cb -0.07 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 3jyi h ALA 185 CO -0.06 -0.40 0.54 1.98 0.00 0.00 0.00 179.25 181.30 3jyi h MET 186 N -0.78 0.64 -0.06 0.00 -1.53 -1.30 0.23 114.93 112.12 3jyi h MET 186 Ca -0.03 -0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.12 3jyi h MET 186 Cb 0.51 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 3jyi h MET 186 CO 0.05 0.42 -0.25 0.00 0.14 0.00 0.00 176.91 177.27 3jyi h ALA 187 N 1.65 0.11 -0.49 0.39 0.00 -1.49 0.29 119.26 119.71 3jyi h ALA 187 Ca 0.56 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3jyi h ALA 187 Cb 0.90 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3jyi h ALA 187 CO -0.41 0.11 0.29 1.15 0.00 0.00 0.00 179.25 180.39 3jyi h THR 188 N -0.23 1.14 0.02 0.00 2.02 -0.77 -1.57 112.91 113.52 3jyi h THR 188 Ca -0.01 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3jyi h THR 188 Cb 0.89 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3jyi h THR 188 CO 0.05 0.15 -0.01 0.74 0.37 0.00 0.00 175.52 176.82 3jyi h THR 189 N 0.68 1.45 -0.94 3.16 2.02 -0.41 -2.61 112.91 116.26 3jyi h THR 189 Ca 0.18 -1.67 0.18 0.00 0.77 0.00 0.00 66.41 65.87 3jyi h THR 189 Cb -0.01 2.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.85 3jyi h THR 189 CO -0.03 0.41 0.60 0.25 0.37 0.00 0.00 175.52 177.12 3jyi h LEU 190 N -0.78 0.64 -0.37 2.58 5.85 -0.32 -1.52 115.31 121.39 3jyi h LEU 190 Ca -0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3jyi h LEU 190 Cb 0.70 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3jyi h LEU 190 CO 0.01 0.27 0.09 -0.09 -0.34 0.00 0.00 178.44 178.37 3jyi h ARG 191 N 0.64 0.60 -0.81 1.25 2.43 -1.26 -1.02 114.38 116.21 3jyi h ARG 191 Ca 0.50 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 3jyi h ARG 191 Cb 0.91 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 3jyi h ARG 191 CO -0.26 0.64 0.40 0.87 -1.51 0.00 0.00 179.97 180.12 3jyi h LYS 192 N 0.46 1.16 -0.42 0.20 1.57 -0.91 -0.10 116.57 118.54 3jyi h LYS 192 Ca 0.12 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3jyi h LYS 192 Cb 0.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3jyi h LYS 192 CO 0.00 0.88 0.12 -0.07 -0.57 0.00 0.00 179.45 179.82 3jyi h LEU 193 N 1.15 0.61 0.00 2.94 4.07 -1.22 -0.82 115.31 122.05 3jyi h LEU 193 Ca 0.28 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3jyi h LEU 193 Cb 0.09 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3jyi h LEU 193 CO -0.04 0.66 -0.39 -0.07 -1.08 0.00 0.00 178.44 177.53 3jyi h LEU 194 N 0.53 0.00 0.00 1.67 3.38 -0.86 -3.41 115.31 116.62 3jyi h LEU 194 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3jyi h LEU 194 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3jyi h LEU 194 CO -0.00 0.01 -0.33 0.41 0.09 0.00 0.00 178.44 178.62 3jyi n THR 195 N -2.80 0.00 -1.39 0.22 -1.04 -0.08 -4.90 114.28 104.29 3jyi n THR 195 Ca 0.03 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 3jyi n THR 195 Cb 0.52 -0.29 0.06 0.00 -1.82 0.00 0.00 70.33 68.81 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 1.28 -1.07 0.74 3.41 0.00 -0.31 -4.96 105.19 104.28 3jyi n GLY 196 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.88 1.93 0.02 1.61 4.07 -1.26 -4.34 120.64 120.79 3jyi n GLU 197 Ca 0.05 -1.44 -0.13 0.00 -0.06 0.00 0.00 57.16 55.59 3jyi n GLU 197 Cb 0.19 -1.32 -0.08 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 2.38 -0.02 -9.96 4.31 5.85 -1.92 -3.43 115.31 112.53 3jyi h LEU 198 Ca 0.00 -0.21 -0.53 0.00 0.84 0.00 0.00 57.88 57.98 3jyi h LEU 198 Cb 0.54 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3jyi h LEU 198 CO 0.00 0.20 -0.50 -0.76 -0.34 0.00 0.00 178.44 177.04 3jyi s LEU 199 N -9.76 4.06 0.71 2.25 1.02 -1.26 -4.98 118.68 110.72 3jyi s LEU 199 Ca -0.14 -0.03 -0.14 0.00 0.02 0.00 0.00 54.13 53.84 3jyi s LEU 199 Cb 0.04 -2.63 0.03 0.00 0.02 0.00 0.00 46.19 43.65 3jyi s LEU 199 CO 0.66 0.02 1.14 0.42 0.02 0.00 0.00 176.35 178.61 3jyi s THR 200 N -1.86 2.90 0.35 5.49 -4.23 -1.26 -4.70 115.64 112.32 3jyi s THR 200 Ca 0.33 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 3jyi s THR 200 Cb -0.10 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.12 3jyi s THR 200 CO 0.26 -0.28 2.00 0.17 -0.54 0.00 0.00 174.62 176.23 3jyi h LEU 201 N -0.37 0.74 -1.50 4.79 8.10 -1.97 0.21 115.31 125.31 3jyi h LEU 201 Ca -0.46 -0.02 0.04 0.00 0.11 0.00 0.00 57.88 57.55 3jyi h LEU 201 Cb 1.26 -0.18 -0.03 0.00 -0.44 0.00 0.00 40.66 41.27 3jyi h LEU 201 CO 0.51 0.53 0.38 0.00 -4.11 0.00 0.00 178.44 175.76 3jyi h ALA 202 N 1.59 1.74 0.13 0.17 0.00 -1.99 0.05 119.26 120.95 3jyi h ALA 202 Ca 0.25 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.87 3jyi h ALA 202 Cb -0.05 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 17.59 3jyi h ALA 202 CO -0.06 0.19 -1.13 0.77 0.00 0.00 0.00 179.25 179.02 3jyi h SER 203 N 0.64 0.77 -0.78 0.00 0.02 -1.28 -2.15 113.55 110.77 3jyi h SER 203 Ca 0.24 -0.85 0.08 0.00 -0.84 0.00 0.00 61.79 60.42 3jyi h SER 203 Cb 0.15 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.38 3jyi h SER 203 CO -0.07 1.55 0.44 0.03 -1.14 0.00 0.00 176.83 177.64 3jyi h ARG 204 N 0.10 0.73 -0.46 3.45 3.08 -0.44 -1.24 114.38 119.59 3jyi h ARG 204 Ca -0.18 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 3jyi h ARG 204 Cb 1.84 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.70 3jyi h ARG 204 CO 0.22 0.48 0.08 0.37 -1.07 0.00 0.00 179.97 180.05 3jyi h GLN 205 N 0.75 0.77 -0.64 0.04 5.75 -0.99 -2.33 115.11 118.46 3jyi h GLN 205 Ca 0.37 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3jyi h GLN 205 Cb 0.31 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3jyi h GLN 205 CO -0.23 0.78 0.07 0.37 -2.65 0.00 0.00 178.83 177.17 3jyi h GLN 206 N 0.63 1.07 0.26 1.69 5.75 -0.96 0.19 115.11 123.76 3jyi h GLN 206 Ca 0.14 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3jyi h GLN 206 Cb 0.39 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3jyi h GLN 206 CO 0.01 1.01 -0.18 1.25 -2.65 0.00 0.00 178.83 178.27 3jyi h LEU 207 N 0.98 -0.45 -0.95 -2.39 5.85 -1.07 -1.69 115.31 115.59 3jyi h LEU 207 Ca 0.19 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3jyi h LEU 207 Cb 0.48 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3jyi h LEU 207 CO 0.02 -0.28 -0.36 -0.29 -0.34 0.00 0.00 178.44 177.19 3jyi h ILE 208 N -0.44 1.29 -0.48 4.05 2.10 -1.22 -1.95 117.51 120.86 3jyi h ILE 208 Ca -0.02 -1.42 -0.00 0.00 1.08 0.00 0.00 64.86 64.49 3jyi h ILE 208 Cb 0.37 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.65 3jyi h ILE 208 CO 0.01 0.43 0.29 0.44 -1.08 0.00 0.00 178.15 178.24 3jyi h ASP 209 N 0.27 0.56 -0.20 2.19 5.19 -0.34 -0.14 116.42 123.95 3jyi h ASP 209 Ca 0.03 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 3jyi h ASP 209 Cb 0.76 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3jyi h ASP 209 CO 0.06 0.44 -0.52 -0.50 -3.12 0.00 0.00 179.24 175.60 3jyi h TRP 210 N 0.66 0.91 -0.30 4.55 6.55 -0.57 -2.78 115.95 124.96 3jyi h TRP 210 Ca 0.17 -0.35 -0.05 0.00 0.95 0.00 0.00 58.89 59.62 3jyi h TRP 210 Cb -0.02 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.10 3jyi h TRP 210 CO 0.00 1.14 0.01 0.52 -1.05 0.00 0.00 178.44 179.06 3jyi h MET 211 N 0.41 0.53 -0.80 0.49 2.86 -1.00 -2.14 114.93 115.27 3jyi h MET 211 Ca -0.01 -0.17 0.20 0.00 -2.06 0.00 0.00 59.70 57.67 3jyi h MET 211 Cb 1.13 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 3jyi h MET 211 CO 0.11 0.67 0.55 1.49 1.06 0.00 0.00 176.91 180.79 3jyi h GLU 212 N 0.33 0.21 -0.19 1.72 4.81 -1.05 -0.65 114.58 119.76 3jyi h GLU 212 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3jyi h GLU 212 Cb 0.43 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3jyi h GLU 212 CO 0.01 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 3jyi n ALA 213 N -2.60 2.48 -1.64 2.92 0.00 -0.81 -4.87 120.51 115.99 3jyi n ALA 213 Ca 0.16 -0.35 -0.53 0.00 0.00 0.00 0.00 53.44 52.72 3jyi n ALA 213 Cb 0.73 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 2.66 0.03 0.00 4.64 -0.27 -4.86 116.55 118.80 3jyi n ASP 214 Ca 0.08 0.89 0.11 0.00 -1.38 0.00 0.00 54.79 54.49 3jyi n ASP 214 Cb 0.18 -1.24 -0.02 0.00 -1.04 0.00 0.00 41.12 39.00 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 6.47 0.35 0.00 -0.67 4.76 -0.65 -4.85 118.16 123.57 3jyi n LYS 215 Ca 0.29 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 3jyi n LYS 215 Cb 0.20 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 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 -2.04 0.00 -0.89 -0.18 0.31 -1.23 -4.67 118.33 109.63 3jyi n VAL 216 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3jyi n VAL 216 Cb 0.46 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.09 3.52 0.00 -1.26 -4.86 120.51 114.82 3jyi n ALA 217 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3jyi n ALA 217 Cb 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 0.28 1.71 0.00 0.00 -1.91 -2.45 103.07 100.71 3jyi h GLY 218 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3jyi h GLY 218 CO 0.00 -0.11 0.00 -1.05 0.00 0.00 0.00 176.54 175.38 3jyi n PRO 219 N -5.23 0.16 0.00 4.80 -0.02 -1.26 -2.86 135.00 130.59 3jyi n PRO 219 Ca 0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3jyi n PRO 219 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.35 0.00 -0.08 2.45 4.32 -0.92 -4.54 117.00 116.88 3jyi n LEU 220 Ca 0.06 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.24 3jyi n LEU 220 Cb 0.15 0.00 0.61 0.00 -1.62 0.00 0.00 43.42 42.56 3jyi n LEU 220 CO 0.13 0.00 1.20 -0.07 -1.22 0.00 0.00 177.39 177.43 3jyi h LEU 221 N 0.00 0.17 -1.64 2.23 4.07 -1.84 -2.59 115.31 115.72 3jyi h LEU 221 Ca 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3jyi h LEU 221 Cb 0.00 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3jyi h LEU 221 CO 0.00 0.09 -0.09 0.03 -1.08 0.00 0.00 178.44 177.39 3jyi h ARG 222 N 0.19 0.12 0.00 1.13 3.08 -1.75 -2.28 114.38 114.87 3jyi h ARG 222 Ca 0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3jyi h ARG 222 Cb 0.95 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3jyi h ARG 222 CO -0.05 0.21 0.00 -1.13 -1.07 0.00 0.00 179.97 177.93 3jyi n SER 223 N -4.37 0.00 -0.51 7.04 3.41 -0.97 -2.26 113.62 115.96 3jyi n SER 223 Ca -0.02 0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.70 3jyi n SER 223 Cb 0.20 -0.32 0.09 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.32 2.34 -2.70 7.33 0.00 -0.86 -4.98 120.51 120.32 3jyi n ALA 224 Ca 0.10 -0.83 -0.37 0.00 0.00 0.00 0.00 53.44 52.34 3jyi n ALA 224 Cb 0.20 -0.38 -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 -0.94 4.20 0.80 0.00 2.96 -0.96 -4.67 118.68 120.07 3jyi s LEU 225 Ca 0.17 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.42 3jyi s LEU 225 Cb 0.10 -2.38 0.07 0.00 0.50 0.00 0.00 46.19 44.48 3jyi s LEU 225 CO 0.14 0.04 1.09 -2.84 -1.32 0.00 0.00 176.35 173.46 3jyi s PRO 226 N 0.82 2.06 0.44 0.98 0.02 -1.26 -5.01 135.00 133.05 3jyi s PRO 226 Ca 0.16 0.83 -0.25 0.00 0.02 0.00 0.00 61.00 61.76 3jyi s PRO 226 Cb -0.14 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 3jyi s PRO 226 CO 0.05 -1.68 1.30 0.00 -0.33 0.00 0.00 177.00 176.34 3jyi s ALA 227 N -3.04 3.13 0.00 -1.55 0.00 -1.26 -3.25 121.76 115.79 3jyi s ALA 227 Ca 0.61 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3jyi s ALA 227 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3jyi s ALA 227 CO 0.55 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3jyi n GLY 228 N 0.63 1.67 3.82 0.00 0.00 -1.26 -5.00 105.19 105.04 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 -2.39 3.69 -0.01 1.61 0.52 -1.20 0.92 118.94 122.08 3jyi s TRP 229 Ca 0.00 1.33 -0.18 0.00 0.02 0.00 0.00 56.10 57.27 3jyi s TRP 229 Cb 0.00 -2.57 -0.05 0.00 -1.15 0.00 0.00 33.47 29.70 3jyi s TRP 229 CO 0.00 0.41 0.51 0.12 0.02 0.00 0.00 176.95 178.01 3jyi s PHE 230 N -1.41 3.69 -0.10 -1.98 5.36 0.12 -4.75 117.98 118.91 3jyi s PHE 230 Ca 0.39 1.09 -0.05 0.00 -0.96 0.00 0.00 56.93 57.40 3jyi s PHE 230 Cb -0.17 -2.48 0.05 0.00 -0.34 0.00 0.00 43.02 40.08 3jyi s PHE 230 CO 0.21 0.45 0.22 -1.50 -1.46 0.00 0.00 175.22 173.14 3jyi s ILE 231 N -0.47 -0.12 -0.15 3.12 2.07 -1.26 -1.15 121.20 123.23 3jyi s ILE 231 Ca 0.27 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 3jyi s ILE 231 Cb -0.17 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.07 3jyi s ILE 231 CO 0.15 0.08 -0.20 0.00 -1.91 0.00 0.00 174.94 173.06 3jyi s ALA 232 N 1.52 2.33 0.21 1.50 0.00 0.24 -4.33 121.76 123.24 3jyi s ALA 232 Ca -0.07 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 3jyi s ALA 232 Cb -0.11 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 3jyi s ALA 232 CO -0.08 -0.09 0.40 0.16 0.00 0.00 0.00 175.76 176.15 3jyi s ASP 233 N 0.91 -0.06 -0.08 0.00 -4.77 -1.12 -0.44 116.67 111.11 3jyi s ASP 233 Ca -0.04 -0.90 -0.03 0.00 -3.30 0.00 0.00 52.55 48.27 3jyi s ASP 233 Cb -0.15 0.53 0.05 0.00 -1.09 0.00 0.00 42.92 42.25 3jyi s ASP 233 CO -0.03 -1.04 0.18 -0.75 0.70 0.00 0.00 175.17 174.22 3jyi s LYS 234 N -4.00 0.09 0.36 2.11 2.47 -0.38 -4.67 119.74 115.72 3jyi s LYS 234 Ca 0.21 0.50 0.04 0.00 -1.56 0.00 0.00 55.97 55.16 3jyi s LYS 234 Cb 0.01 -0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.18 3jyi s LYS 234 CO 0.05 -0.23 0.53 -1.54 0.16 0.00 0.00 175.35 174.32 3jyi s SER 235 N 1.72 5.99 -0.03 1.43 1.04 -1.26 -1.73 113.70 120.85 3jyi s SER 235 Ca -0.04 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 3jyi s SER 235 Cb -0.12 -1.46 0.01 0.00 0.10 0.00 0.00 66.02 64.55 3jyi s SER 235 CO -0.06 -0.47 0.08 -0.83 0.98 0.00 0.00 173.24 172.94 3jyi s GLY 236 N -4.16 -0.03 0.10 7.32 0.00 -0.01 -3.96 107.32 106.59 3jyi s GLY 236 Ca 0.44 0.15 0.06 0.00 0.00 0.00 0.00 44.72 45.37 3jyi s GLY 236 CO 0.33 0.10 -0.15 0.00 0.00 0.00 0.00 173.10 173.39 3jyi s ALA 237 N -0.18 1.44 0.25 3.20 0.00 -1.26 -1.25 121.76 123.95 3jyi s ALA 237 Ca -0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 3jyi s ALA 237 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3jyi s ALA 237 CO 0.00 0.15 0.39 0.41 0.00 0.00 0.00 175.76 176.72 3jyi n GLY 238 N 0.82 2.08 3.76 0.00 0.00 -0.64 -4.47 105.19 106.75 3jyi n GLY 238 Ca -0.18 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.39 1.68 -1.33 1.61 2.56 -0.22 -3.57 118.70 117.04 3jyi s GLU 239 Ca 0.17 0.75 -0.01 0.00 0.00 0.00 0.00 54.97 55.88 3jyi s GLU 239 Cb -0.01 -1.86 -0.00 0.00 2.00 0.00 0.00 34.13 34.25 3jyi s GLU 239 CO 0.12 -1.93 0.60 0.54 -0.56 0.00 0.00 175.26 174.03 3jyi n ARG 240 N -3.66 -4.01 -1.71 4.30 1.74 -1.26 -2.38 116.66 109.67 3jyi n ARG 240 Ca 0.07 0.53 -0.21 0.00 -0.77 0.00 0.00 57.85 57.47 3jyi n ARG 240 Cb 0.56 -4.87 -0.08 0.00 -1.02 0.00 0.00 32.46 27.05 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 -1.73 1.66 3.75 -0.13 0.00 -1.16 -0.87 105.19 106.70 3jyi n GLY 241 Ca -0.29 -0.01 -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 -2.69 7.03 0.02 1.61 0.01 -1.00 -4.27 113.70 114.41 3jyi s SER 242 Ca 0.00 2.34 -0.28 0.00 1.31 0.00 0.00 55.95 59.32 3jyi s SER 242 Cb 0.00 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.68 3jyi s SER 242 CO 0.00 -0.39 0.64 -0.60 0.41 0.00 0.00 173.24 173.30 3jyi s ARG 243 N -0.62 1.11 -0.04 12.44 6.06 -0.09 -1.61 118.95 136.20 3jyi s ARG 243 Ca 0.52 0.01 -0.31 0.00 -2.50 0.00 0.00 55.73 53.45 3jyi s ARG 243 Cb -0.34 0.52 0.13 0.00 0.06 0.00 0.00 34.95 35.31 3jyi s ARG 243 CO 0.40 -0.39 1.33 0.20 -2.50 0.00 0.00 175.30 174.33 3jyi s GLY 244 N -1.69 -0.40 -0.17 8.12 0.00 -0.38 -0.43 107.32 112.37 3jyi s GLY 244 Ca -0.07 0.68 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 3jyi s GLY 244 CO 0.03 0.85 0.84 -1.50 0.00 0.00 0.00 173.10 173.32 3jyi s ILE 245 N -2.27 0.00 0.09 0.90 2.07 0.27 -0.83 121.20 121.44 3jyi s ILE 245 Ca 0.16 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.48 3jyi s ILE 245 Cb 0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 3jyi s ILE 245 CO -0.04 0.00 -0.20 0.27 -1.91 0.00 0.00 174.94 173.06 3jyi s ILE 246 N -0.54 1.63 -0.17 2.00 -4.36 -0.71 -1.16 121.20 117.89 3jyi s ILE 246 Ca -0.03 -1.48 -0.28 0.00 -0.26 0.00 0.00 60.65 58.60 3jyi s ILE 246 Cb -0.02 -1.48 0.09 0.00 1.25 0.00 0.00 42.46 42.30 3jyi s ILE 246 CO 0.03 -0.06 0.82 0.00 0.24 0.00 0.00 174.94 175.97 3jyi s ALA 247 N -1.14 -1.84 -0.20 2.27 0.00 -0.60 -1.25 121.76 118.99 3jyi s ALA 247 Ca 0.05 1.65 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 3jyi s ALA 247 Cb -0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3jyi s ALA 247 CO 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 175.76 175.48 3jyi s ALA 248 N -0.53 3.06 0.11 0.00 0.00 0.41 -1.23 121.76 123.58 3jyi s ALA 248 Ca -0.04 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3jyi s ALA 248 Cb -0.02 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3jyi s ALA 248 CO 0.03 -0.12 0.10 -0.48 0.00 0.00 0.00 175.76 175.29 3jyi s LEU 249 N 0.96 1.73 -0.16 0.00 2.34 -0.72 -0.59 118.68 122.24 3jyi s LEU 249 Ca 0.02 -0.99 -0.34 0.00 0.06 0.00 0.00 54.13 52.87 3jyi s LEU 249 Cb -0.14 0.59 0.14 0.00 -0.56 0.00 0.00 46.19 46.21 3jyi s LEU 249 CO 0.02 -0.73 1.27 -0.83 -1.06 0.00 0.00 176.35 175.02 3jyi s GLY 250 N -2.97 -0.32 0.66 -3.48 0.00 -0.30 -1.35 107.32 99.57 3jyi s GLY 250 Ca 0.15 1.40 -0.11 0.00 0.00 0.00 0.00 44.72 46.16 3jyi s GLY 250 CO -0.04 0.43 1.05 2.56 0.00 0.00 0.00 173.10 177.11 3jyi s PRO 251 N -2.34 3.12 -1.12 2.90 0.05 -1.22 0.15 135.00 136.54 3jyi s PRO 251 Ca 0.11 0.51 -0.02 0.00 0.05 0.00 0.00 61.00 61.66 3jyi s PRO 251 Cb 0.01 -2.07 0.00 0.00 0.05 0.00 0.00 34.50 32.49 3jyi s PRO 251 CO -0.04 -0.84 0.21 -0.25 0.05 0.00 0.00 177.00 176.13 3jyi n ASP 252 N -2.87 -4.48 0.00 6.66 8.00 -1.01 -2.91 116.55 119.94 3jyi n ASP 252 Ca 0.06 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3jyi n ASP 252 Cb 0.56 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 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 -1.15 0.21 3.22 0.44 0.00 0.26 -4.96 105.19 103.22 3jyi n GLY 253 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.19 1.39 0.34 1.61 1.02 -1.15 -4.65 119.74 117.11 3jyi s LYS 254 Ca 0.00 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 54.90 3jyi s LYS 254 Cb 0.00 -1.44 -0.10 0.00 -0.52 0.00 0.00 37.83 35.77 3jyi s LYS 254 CO 0.00 0.38 0.93 -1.25 -0.92 0.00 0.00 175.35 174.48 3jyi s PRO 255 N -0.96 4.46 0.00 -1.68 0.04 -1.26 -3.41 135.00 132.19 3jyi s PRO 255 Ca 0.07 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3jyi s PRO 255 Cb -0.08 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3jyi s PRO 255 CO 0.01 0.21 0.00 -1.13 0.04 0.00 0.00 177.00 176.13 3jyi n SER 256 N 0.26 0.00 -4.06 6.66 3.41 -0.46 -4.84 113.62 114.59 3jyi n SER 256 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 3jyi n SER 256 Cb 0.51 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 0.54 -0.14 4.33 0.52 -0.91 -1.23 118.95 122.05 3jyi s ARG 257 Ca 0.00 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 3jyi s ARG 257 Cb 0.00 -0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.23 3jyi s ARG 257 CO 0.00 0.02 -0.04 0.42 0.02 0.00 0.00 175.30 175.72 3jyi s ILE 258 N -1.74 3.85 -0.07 1.52 1.01 0.07 -1.75 121.20 124.09 3jyi s ILE 258 Ca -0.08 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3jyi s ILE 258 Cb -0.08 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3jyi s ILE 258 CO -0.01 0.52 -0.24 -0.69 0.00 0.00 0.00 174.94 174.52 3jyi s VAL 259 N 0.09 2.10 -0.06 2.92 1.01 -0.37 0.10 120.40 126.20 3jyi s VAL 259 Ca -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3jyi s VAL 259 Cb -0.14 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3jyi s VAL 259 CO 0.03 0.57 -0.14 -0.69 0.00 0.00 0.00 175.10 174.87 3jyi s VAL 260 N 0.01 1.23 -0.03 2.92 1.01 -0.70 -1.56 120.40 123.28 3jyi s VAL 260 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3jyi s VAL 260 Cb -0.15 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.16 3jyi s VAL 260 CO 0.05 0.37 0.01 -0.63 0.00 0.00 0.00 175.10 174.90 3jyi s ILE 261 N 0.43 0.11 0.00 2.22 1.01 -0.31 -1.94 121.20 122.72 3jyi s ILE 261 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3jyi s ILE 261 Cb -0.14 -0.22 -0.00 0.00 0.01 0.00 0.00 42.46 42.11 3jyi s ILE 261 CO 0.03 0.13 -0.00 -0.31 0.00 0.00 0.00 174.94 174.79 3jyi s TYR 262 N 1.03 0.04 0.01 3.97 2.02 -0.62 -0.56 117.35 123.24 3jyi s TYR 262 Ca -0.10 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3jyi s TYR 262 Cb -0.13 -0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.39 3jyi s TYR 262 CO -0.02 -0.01 -0.01 -0.08 -1.57 0.00 0.00 175.55 173.86 3jyi s THR 263 N -0.06 0.06 -0.05 -0.71 -1.32 0.43 0.24 115.64 114.23 3jyi s THR 263 Ca -0.00 -0.39 -0.08 0.00 -1.21 0.00 0.00 61.69 60.01 3jyi s THR 263 Cb -0.00 -0.13 0.02 0.00 -1.51 0.00 0.00 72.50 70.87 3jyi s THR 263 CO -0.00 -0.21 0.20 0.28 -2.21 0.00 0.00 174.62 172.68 3jyi s THR 264 N -0.62 0.02 0.00 5.08 -1.32 -1.25 -0.91 115.64 116.64 3jyi s THR 264 Ca -0.07 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 3jyi s THR 264 Cb -0.04 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 3jyi s THR 264 CO -0.00 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 3jyi n GLY 265 N 2.48 0.94 3.70 6.08 0.00 -0.05 -3.86 105.19 114.49 3jyi n GLY 265 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.26 3.68 0.00 1.61 0.15 -1.24 -4.77 113.70 111.86 3jyi s SER 266 Ca 0.00 2.26 0.12 0.00 0.70 0.00 0.00 55.95 59.03 3jyi s SER 266 Cb 0.00 -2.58 0.34 0.00 -1.71 0.00 0.00 66.02 62.07 3jyi s SER 266 CO 0.00 -2.60 1.28 0.00 1.20 0.00 0.00 173.24 173.11 3jyi n GLN 267 N -3.40 2.77 -1.87 5.44 6.02 -1.26 -3.01 117.38 122.06 3jyi n GLN 267 Ca 0.13 -2.09 -0.32 0.00 -0.01 0.00 0.00 57.00 54.70 3jyi n GLN 267 Cb 0.51 -1.30 0.02 0.00 1.02 0.00 0.00 30.24 30.49 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 2.75 0.83 -1.58 0.00 -1.26 -5.02 121.76 116.48 3jyi s ALA 268 Ca 0.26 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 3jyi s ALA 268 Cb 0.14 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3jyi s ALA 268 CO 0.18 -0.93 0.86 2.41 0.00 0.00 0.00 175.76 178.27 3jyi n THR 269 N -2.46 1.31 -0.12 0.00 -1.04 -1.26 -4.76 114.28 105.94 3jyi n THR 269 Ca 0.08 -0.23 -0.04 0.00 -2.04 0.00 0.00 64.05 61.82 3jyi n THR 269 Cb 0.53 -0.94 0.03 0.00 -1.82 0.00 0.00 70.33 68.13 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 -1.03 0.15 -1.00 -2.82 4.05 -1.99 -1.04 114.93 111.23 3jyi h MET 270 Ca -0.45 -0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.07 3jyi h MET 270 Cb 1.30 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.99 3jyi h MET 270 CO 0.42 0.10 0.64 -0.44 0.23 0.00 0.00 176.91 177.85 3jyi h ASP 271 N 0.15 0.94 -0.12 1.39 3.32 -1.99 0.83 116.42 120.95 3jyi h ASP 271 Ca 0.20 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.12 3jyi h ASP 271 Cb 0.26 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3jyi h ASP 271 CO -0.30 0.51 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.84 3jyi h GLU 272 N 1.01 0.71 -0.13 3.56 5.08 -1.73 -0.83 114.58 122.25 3jyi h GLU 272 Ca 0.49 -0.46 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 3jyi h GLU 272 Cb 0.46 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3jyi h GLU 272 CO -0.25 1.08 -0.61 0.00 -1.00 0.00 0.00 179.01 178.23 3jyi h ARG 273 N 0.54 0.44 0.08 2.33 3.08 -0.62 -2.65 114.38 117.59 3jyi h ARG 273 Ca 0.01 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.77 3jyi h ARG 273 Cb 1.14 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3jyi h ARG 273 CO 0.11 0.92 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.85 3jyi h ASN 274 N 0.33 -0.48 -0.75 7.04 2.35 -0.70 -2.75 115.58 120.62 3jyi h ASN 274 Ca -0.01 0.06 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 3jyi h ASN 274 Cb 1.15 0.19 -0.07 0.00 0.05 0.00 0.00 38.32 39.64 3jyi h ASN 274 CO 0.11 -0.25 0.41 -0.09 -1.65 0.00 0.00 177.43 175.96 3jyi h ARG 275 N -0.33 0.69 -0.18 0.81 2.43 -1.00 -0.24 114.38 116.56 3jyi h ARG 275 Ca 0.03 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3jyi h ARG 275 Cb 0.35 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3jyi h ARG 275 CO -0.11 0.46 -0.18 1.96 -1.51 0.00 0.00 179.97 180.60 3jyi h GLN 276 N 0.71 0.30 0.18 0.20 1.08 -1.43 -1.49 115.11 114.65 3jyi h GLN 276 Ca 0.36 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 3jyi h GLN 276 Cb 0.32 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3jyi h GLN 276 CO -0.24 0.47 -0.08 0.82 -0.95 0.00 0.00 178.83 178.85 3jyi h ILE 277 N 0.28 0.94 -0.94 2.54 1.08 -0.85 -2.67 117.51 117.89 3jyi h ILE 277 Ca 0.05 -0.79 0.09 0.00 -0.39 0.00 0.00 64.86 63.83 3jyi h ILE 277 Cb 0.48 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 35.55 3jyi h ILE 277 CO 0.03 0.17 0.58 0.00 -0.69 0.00 0.00 178.15 178.24 3jyi h ALA 278 N 0.07 1.35 0.00 1.87 0.00 -0.89 -1.09 119.26 120.57 3jyi h ALA 278 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3jyi h ALA 278 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3jyi h ALA 278 CO 0.04 0.24 -0.44 0.93 0.00 0.00 0.00 179.25 180.03 3jyi h GLU 279 N 0.97 0.00 -0.47 0.00 5.08 -1.31 0.69 114.58 119.54 3jyi h GLU 279 Ca 0.44 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.67 3jyi h GLU 279 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3jyi h GLU 279 CO -0.23 0.44 -0.21 0.82 -1.00 0.00 0.00 179.01 178.83 3jyi h ILE 280 N 0.00 1.27 -0.05 3.13 2.04 -0.86 -2.55 117.51 120.48 3jyi h ILE 280 Ca -0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3jyi h ILE 280 Cb 0.82 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3jyi h ILE 280 CO 0.06 0.47 0.02 1.23 0.00 0.00 0.00 178.15 179.93 3jyi h GLY 281 N 0.83 0.08 -0.36 5.37 0.00 -0.75 -1.87 103.07 106.37 3jyi h GLY 281 Ca 0.11 -0.04 0.28 0.00 0.00 0.00 0.00 47.33 47.68 3jyi h GLY 281 CO 0.07 0.04 0.55 0.00 0.00 0.00 0.00 176.54 177.19 3jyi h ALA 282 N 0.87 1.82 -0.11 3.60 0.00 -0.83 0.35 119.26 124.97 3jyi h ALA 282 Ca 0.02 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3jyi h ALA 282 Cb 0.15 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jyi h ALA 282 CO -0.00 -0.44 -0.21 0.77 0.00 0.00 0.00 179.25 179.37 3jyi h SER 283 N 0.42 0.37 -0.90 0.00 0.02 -1.26 -0.86 113.55 111.34 3jyi h SER 283 Ca 0.68 -0.56 0.15 0.00 -0.84 0.00 0.00 61.79 61.22 3jyi h SER 283 Cb 1.44 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 63.77 3jyi h SER 283 CO -0.56 0.86 0.51 0.25 -1.14 0.00 0.00 176.83 176.75 3jyi h LEU 284 N -0.10 0.65 0.03 5.07 5.85 -0.45 -0.10 115.31 126.26 3jyi h LEU 284 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3jyi h LEU 284 Cb 0.80 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3jyi h LEU 284 CO 0.05 0.28 -0.01 0.40 -0.34 0.00 0.00 178.44 178.82 3jyi h ILE 285 N 0.72 1.26 -1.04 4.05 2.04 -0.97 -2.66 117.51 120.91 3jyi h ILE 285 Ca 0.49 -1.79 0.28 0.00 1.00 0.00 0.00 64.86 64.84 3jyi h ILE 285 Cb 0.67 2.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.99 3jyi h ILE 285 CO -0.35 0.40 0.71 0.50 0.00 0.00 0.00 178.15 179.41 3jyi h LYS 286 N -0.94 0.20 -0.31 2.37 3.64 -1.03 -2.05 116.57 118.46 3jyi h LYS 286 Ca -0.00 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 3jyi h LYS 286 Cb 0.69 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 3jyi h LYS 286 CO 0.01 0.13 -0.09 0.72 -2.27 0.00 0.00 179.45 177.96 3jyi n HIS 287 N -4.42 0.97 0.00 1.91 8.25 -0.06 -5.08 115.22 116.80 3jyi n HIS 287 Ca 0.23 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 3jyi n HIS 287 Cb 0.98 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3jyi n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85