#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 0.28 0.00 1.57 0.11 -1.97 0.33 132.00 132.32 3jyi h PRO 27 Ca 0.00 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.94 3jyi h PRO 27 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3jyi h PRO 27 CO 0.00 0.19 -0.72 0.93 -0.21 0.00 0.00 178.00 178.19 3jyi h GLU 28 N 0.29 0.00 -0.32 1.05 4.39 -1.99 -1.82 114.58 116.18 3jyi h GLU 28 Ca 0.69 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.26 3jyi h GLU 28 Cb 1.86 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 3jyi h GLU 28 CO -0.38 0.72 -0.31 1.15 -1.16 0.00 0.00 179.01 179.03 3jyi h THR 29 N 0.00 1.29 -0.80 1.13 2.02 -1.24 -2.43 112.91 112.88 3jyi h THR 29 Ca -0.01 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.75 3jyi h THR 29 Cb 1.36 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 69.24 3jyi h THR 29 CO 0.09 0.48 0.50 0.25 0.37 0.00 0.00 175.52 177.21 3jyi h LEU 30 N 0.53 0.80 -0.64 2.58 5.85 -1.38 -0.13 115.31 122.92 3jyi h LEU 30 Ca 0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3jyi h LEU 30 Cb 0.88 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3jyi h LEU 30 CO 0.08 0.54 0.36 0.58 -0.34 0.00 0.00 178.44 179.65 3jyi h VAL 31 N 0.95 0.98 -0.44 1.05 2.07 -1.21 -1.63 116.25 118.02 3jyi h VAL 31 Ca 0.33 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 3jyi h VAL 31 Cb 0.09 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3jyi h VAL 31 CO -0.14 0.12 -0.16 0.50 0.02 0.00 0.00 177.57 177.91 3jyi h LYS 32 N 0.67 0.83 0.38 1.57 1.63 -0.88 -1.03 116.57 119.73 3jyi h LYS 32 Ca 0.28 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3jyi h LYS 32 Cb 0.16 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3jyi h LYS 32 CO -0.17 0.94 -0.26 0.28 -3.45 0.00 0.00 179.45 176.79 3jyi h VAL 33 N 0.74 0.47 -0.99 2.00 2.07 -0.71 -0.82 116.25 119.01 3jyi h VAL 33 Ca 0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.78 3jyi h VAL 33 Cb 0.67 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 3jyi h VAL 33 CO 0.05 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.36 3jyi h LYS 34 N -0.62 0.87 -0.18 1.57 1.57 -1.16 0.12 116.57 118.74 3jyi h LYS 34 Ca -0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3jyi h LYS 34 Cb 0.52 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3jyi h LYS 34 CO 0.02 0.57 -0.02 0.22 -0.57 0.00 0.00 179.45 179.68 3jyi h ASP 35 N 0.89 0.24 0.20 0.86 3.58 -0.68 -2.45 116.42 119.06 3jyi h ASP 35 Ca 0.52 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.82 3jyi h ASP 35 Cb 0.62 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3jyi h ASP 35 CO -0.31 0.31 -0.44 0.00 -2.88 0.00 0.00 179.24 175.92 3jyi h ALA 36 N 1.73 1.02 -0.23 -0.78 0.00 0.69 -1.30 119.26 120.37 3jyi h ALA 36 Ca 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3jyi h ALA 36 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3jyi h ALA 36 CO 0.01 0.62 0.12 0.93 0.00 0.00 0.00 179.25 180.93 3jyi h GLU 37 N 0.25 0.33 -0.59 0.00 5.08 -1.01 -2.11 114.58 116.53 3jyi h GLU 37 Ca 0.02 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3jyi h GLU 37 Cb 0.88 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3jyi h GLU 37 CO 0.07 0.31 0.39 -0.44 -1.00 0.00 0.00 179.01 178.34 3jyi h ASP 38 N 0.26 0.67 0.27 1.42 3.45 -1.18 0.29 116.42 121.61 3jyi h ASP 38 Ca 0.08 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 3jyi h ASP 38 Cb 0.08 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 3jyi h ASP 38 CO -0.01 0.49 -0.33 1.56 -1.57 0.00 0.00 179.24 179.38 3jyi h GLN 39 N 0.79 0.09 0.00 3.56 1.08 -1.15 -3.12 115.11 116.36 3jyi h GLN 39 Ca 0.21 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3jyi h GLN 39 Cb -0.09 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3jyi h GLN 39 CO -0.05 0.41 -1.88 1.28 -0.95 0.00 0.00 178.83 177.64 3jyi n LEU 40 N -4.13 0.10 -3.25 1.46 4.77 -0.80 -4.99 117.00 110.16 3jyi n LEU 40 Ca -0.02 0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 3jyi n LEU 40 Cb 0.39 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.55 3jyi n LEU 40 CO 0.39 -0.02 0.13 0.61 -1.33 0.00 0.00 177.39 177.17 3jyi n GLY 41 N 1.25 -0.32 3.46 -0.72 0.00 0.10 -4.20 105.19 104.77 3jyi n GLY 41 Ca -0.03 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.32 -1.59 0.59 4.61 0.00 -1.15 -4.48 121.76 116.41 3jyi s ALA 42 Ca 0.10 0.95 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 3jyi s ALA 42 Cb -0.05 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 3jyi s ALA 42 CO 0.67 -0.47 1.32 1.03 0.00 0.00 0.00 175.76 178.31 3jyi s ARG 43 N -1.94 2.88 -0.05 0.00 0.52 -1.25 -4.45 118.95 114.66 3jyi s ARG 43 Ca -0.08 2.13 0.01 0.00 -0.52 0.00 0.00 55.73 57.28 3jyi s ARG 43 Cb -0.01 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.43 3jyi s ARG 43 CO 0.03 -1.37 -0.08 0.08 0.02 0.00 0.00 175.30 173.99 3jyi s VAL 44 N -1.36 0.79 -0.03 3.52 1.01 -1.26 -3.56 120.40 119.51 3jyi s VAL 44 Ca 0.77 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 3jyi s VAL 44 Cb -0.38 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3jyi s VAL 44 CO 0.43 0.28 0.06 -0.83 0.00 0.00 0.00 175.10 175.04 3jyi s GLY 45 N 0.83 1.97 -0.23 4.51 0.00 0.11 -4.56 107.32 109.94 3jyi s GLY 45 Ca -0.12 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 3jyi s GLY 45 CO 0.01 -0.70 0.56 -0.47 0.00 0.00 0.00 173.10 172.50 3jyi s TYR 46 N -1.10 -0.89 0.03 1.90 5.04 -0.23 -1.50 117.35 120.60 3jyi s TYR 46 Ca 0.20 1.77 -0.02 0.00 -2.44 0.00 0.00 57.07 56.58 3jyi s TYR 46 Cb -0.12 0.48 -0.02 0.00 0.35 0.00 0.00 41.96 42.65 3jyi s TYR 46 CO 0.10 -0.46 0.01 -1.50 -1.34 0.00 0.00 175.55 172.36 3jyi s ILE 47 N 1.71 0.13 -0.15 3.14 2.07 -0.81 -0.61 121.20 126.68 3jyi s ILE 47 Ca -0.09 -1.06 -0.02 0.00 -1.41 0.00 0.00 60.65 58.08 3jyi s ILE 47 Cb -0.07 -0.59 0.05 0.00 0.13 0.00 0.00 42.46 41.97 3jyi s ILE 47 CO -0.17 -0.58 0.00 -0.70 -1.91 0.00 0.00 174.94 171.59 3jyi s GLU 48 N -2.04 0.86 0.01 3.50 2.12 -0.25 -1.67 118.70 121.22 3jyi s GLU 48 Ca -0.10 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 54.96 3jyi s GLU 48 Cb -0.05 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.54 3jyi s GLU 48 CO -0.03 -0.49 -0.09 -0.51 -0.54 0.00 0.00 175.26 173.60 3jyi s LEU 49 N 1.83 3.04 -0.12 2.70 1.43 0.11 -0.52 118.68 127.15 3jyi s LEU 49 Ca 0.01 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 3jyi s LEU 49 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3jyi s LEU 49 CO -0.07 0.28 1.21 -0.62 0.23 0.00 0.00 176.35 177.38 3jyi s ASP 50 N -1.39 7.01 0.35 2.29 2.15 -0.49 -0.75 116.67 125.84 3jyi s ASP 50 Ca 0.16 1.73 0.03 0.00 0.43 0.00 0.00 52.55 54.90 3jyi s ASP 50 Cb -0.11 -2.55 0.65 0.00 -0.30 0.00 0.00 42.92 40.61 3jyi s ASP 50 CO 0.07 -0.66 2.00 0.25 -0.17 0.00 0.00 175.17 176.65 3jyi h LEU 51 N 8.93 0.73 0.00 -1.34 5.85 -1.60 0.66 115.31 128.54 3jyi h LEU 51 Ca -0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3jyi h LEU 51 Cb 1.13 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3jyi h LEU 51 CO 0.92 0.51 -0.05 0.78 -0.34 0.00 0.00 178.44 180.26 3jyi h ASN 52 N 0.85 0.00 0.67 1.25 2.35 -1.91 -3.38 115.58 115.41 3jyi h ASN 52 Ca 0.26 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3jyi h ASN 52 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3jyi h ASN 52 CO -0.06 0.28 -0.42 0.77 -1.65 0.00 0.00 177.43 176.34 3jyi h SER 53 N -0.50 0.00 0.00 5.81 4.64 -1.97 -3.46 113.55 118.07 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 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3jyi h SER 53 CO 0.00 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3jyi n GLY 54 N 0.06 0.81 3.76 -0.77 0.00 0.23 -5.00 105.19 104.28 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 -0.13 3.64 -0.19 1.61 2.20 -1.25 -4.55 119.74 121.06 3jyi s LYS 55 Ca 0.00 2.32 -0.28 0.00 -0.36 0.00 0.00 55.97 57.65 3jyi s LYS 55 Cb 0.00 -2.59 -0.00 0.00 -1.51 0.00 0.00 37.83 33.72 3jyi s LYS 55 CO 0.00 -0.82 0.97 0.42 -0.36 0.00 0.00 175.35 175.56 3jyi s ILE 56 N -1.24 4.76 -0.13 5.43 1.01 -1.26 -1.40 121.20 128.37 3jyi s ILE 56 Ca 0.62 1.91 0.19 0.00 0.00 0.00 0.00 60.65 63.37 3jyi s ILE 56 Cb -0.42 -4.26 -0.22 0.00 0.01 0.00 0.00 42.46 37.58 3jyi s ILE 56 CO 0.53 -0.09 0.51 0.18 0.00 0.00 0.00 174.94 176.07 3jyi n LEU 57 N 5.79 0.39 -3.61 2.97 4.77 0.32 -4.99 117.00 122.65 3jyi n LEU 57 Ca 0.09 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 3jyi n LEU 57 Cb 0.47 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 3jyi n LEU 57 CO 0.51 0.21 0.64 -0.70 -1.33 0.00 0.00 177.39 176.72 3jyi s GLU 58 N -2.95 0.67 -0.03 3.23 2.56 -1.22 -4.33 118.70 116.64 3jyi s GLU 58 Ca -0.06 0.53 -0.30 0.00 0.00 0.00 0.00 54.97 55.13 3jyi s GLU 58 Cb 0.09 0.32 0.07 0.00 2.00 0.00 0.00 34.13 36.61 3jyi s GLU 58 CO 0.84 -0.14 0.67 -1.54 -0.56 0.00 0.00 175.26 174.53 3jyi s SER 59 N -0.25 -0.64 -0.20 -1.70 1.04 -1.26 -1.09 113.70 109.58 3jyi s SER 59 Ca -0.01 0.65 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 3jyi s SER 59 Cb -0.03 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.72 3jyi s SER 59 CO -0.01 -0.64 0.43 0.12 0.98 0.00 0.00 173.24 174.12 3jyi s PHE 60 N -1.40 -0.82 -1.39 5.02 5.36 0.22 -4.88 117.98 120.09 3jyi s PHE 60 Ca -0.10 1.55 -0.05 0.00 -0.96 0.00 0.00 56.93 57.36 3jyi s PHE 60 Cb -0.00 0.32 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 3jyi s PHE 60 CO 0.08 -0.49 0.80 0.54 -1.46 0.00 0.00 175.22 174.69 3jyi n ARG 61 N 5.39 -5.12 0.22 10.12 1.74 -1.26 -1.07 116.66 126.68 3jyi n ARG 61 Ca -0.09 0.61 0.14 0.00 -0.77 0.00 0.00 57.85 57.74 3jyi n ARG 61 Cb 0.49 -5.27 0.78 0.00 -1.02 0.00 0.00 32.46 27.43 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 -1.96 0.00 0.00 5.56 0.11 -1.90 -3.05 132.00 130.76 3jyi h PRO 62 Ca -0.60 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.51 3jyi h PRO 62 Cb 1.37 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 3jyi h PRO 62 CO 0.61 0.00 -0.18 0.39 -0.21 0.00 0.00 178.00 178.61 3jyi n GLU 63 N -4.13 1.22 -3.36 1.05 1.02 -1.26 -1.00 120.64 114.19 3jyi n GLU 63 Ca -0.00 -2.62 -0.24 0.00 -0.02 0.00 0.00 57.16 54.28 3jyi n GLU 63 Cb 0.21 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.68 3.49 -0.08 3.49 2.02 -1.15 -4.99 118.70 118.79 3jyi s GLU 64 Ca 0.31 -0.32 -0.11 0.00 0.02 0.00 0.00 54.97 54.88 3jyi s GLU 64 Cb 0.28 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 3jyi s GLU 64 CO -0.00 0.14 0.25 1.03 0.02 0.00 0.00 175.26 176.70 3jyi s ARG 65 N -4.31 3.72 0.07 1.61 0.52 -1.26 -4.12 118.95 115.18 3jyi s ARG 65 Ca 0.40 0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.72 3jyi s ARG 65 Cb -0.10 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 3jyi s ARG 65 CO 0.36 0.68 -0.08 -0.06 0.02 0.00 0.00 175.30 176.21 3jyi s PHE 66 N -0.84 0.82 0.11 -0.53 0.08 -0.41 -4.96 117.98 112.24 3jyi s PHE 66 Ca 0.18 -0.62 -0.32 0.00 0.12 0.00 0.00 56.93 56.29 3jyi s PHE 66 Cb -0.14 -0.47 -0.12 0.00 -0.57 0.00 0.00 43.02 41.72 3jyi s PHE 66 CO 0.07 -0.08 1.79 -2.30 -0.10 0.00 0.00 175.22 174.60 3jyi n PRO 67 N 0.95 2.61 -0.17 0.24 -0.02 -1.26 -1.57 135.00 135.78 3jyi n PRO 67 Ca -0.19 0.95 -0.05 0.00 -2.02 0.00 0.00 63.50 62.19 3jyi n PRO 67 Cb 0.57 -2.81 0.14 0.00 -0.02 0.00 0.00 33.50 31.37 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 7.98 0.93 0.00 -0.52 2.86 -1.60 -3.47 114.93 121.11 3jyi h MET 68 Ca -0.46 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 3jyi h MET 68 Cb 1.23 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3jyi h MET 68 CO 0.94 0.84 0.00 -1.33 1.06 0.00 0.00 176.91 178.42 3jyi n MET 69 N -4.25 0.00 0.00 1.72 2.81 -1.26 -2.46 117.12 113.68 3jyi n MET 69 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3jyi n MET 69 Cb 0.25 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.76 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 -3.20 0.00 0.31 7.83 7.64 -1.26 -2.13 113.62 122.80 3jyi n SER 70 Ca 0.00 0.27 0.18 0.00 1.01 0.00 0.00 58.87 60.34 3jyi n SER 70 Cb 0.00 -0.27 1.01 0.00 -1.01 0.00 0.00 64.21 63.94 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 0.26 0.00 0.44 2.02 -1.59 -1.71 112.91 112.33 3jyi h THR 71 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3jyi h THR 71 Cb 0.04 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3jyi h THR 71 CO 0.00 0.02 -0.12 2.19 0.37 0.00 0.00 175.52 177.97 3jyi h PHE 72 N 0.00 0.00 0.00 3.16 -5.15 -1.62 -3.18 116.94 110.15 3jyi h PHE 72 Ca -0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.76 3jyi h PHE 72 Cb 0.08 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.25 3jyi h PHE 72 CO 0.00 0.12 -0.02 0.87 -2.00 0.00 0.00 178.31 177.28 3jyi h LYS 73 N 0.00 0.00 -0.08 6.09 1.57 -1.57 0.19 116.57 122.77 3jyi h LYS 73 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3jyi h LYS 73 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3jyi h LYS 73 CO 0.02 0.02 -0.22 0.28 -0.57 0.00 0.00 179.45 178.98 3jyi h VAL 74 N 0.00 1.41 -0.95 0.50 2.07 -1.76 -2.39 116.25 115.12 3jyi h VAL 74 Ca -0.00 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.01 3jyi h VAL 74 Cb 0.08 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3jyi h VAL 74 CO 0.00 0.45 0.61 -0.07 0.02 0.00 0.00 177.57 178.58 3jyi h LEU 75 N -0.17 0.99 0.47 2.57 4.07 -0.97 -1.38 115.31 120.89 3jyi h LEU 75 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3jyi h LEU 75 Cb 0.83 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 3jyi h LEU 75 CO 0.05 0.65 -0.31 0.25 -1.08 0.00 0.00 178.44 178.00 3jyi h LEU 76 N 1.14 -0.80 -2.37 1.67 5.85 -0.72 -1.52 115.31 118.56 3jyi h LEU 76 Ca 0.40 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3jyi h LEU 76 Cb 0.10 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3jyi h LEU 76 CO -0.15 -0.49 0.00 0.00 -0.34 0.00 0.00 178.44 177.46 3jyi h GLY 78 N 0.82 0.99 1.01 0.00 0.00 -0.60 -1.83 103.07 103.46 3jyi h GLY 78 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.30 3jyi h GLY 78 CO 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 176.54 177.35 3jyi h ALA 79 N 0.80 0.63 -0.48 3.60 0.00 0.01 -1.38 119.26 122.44 3jyi h ALA 79 Ca 0.08 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3jyi h ALA 79 Cb 0.86 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3jyi h ALA 79 CO 0.08 0.47 0.26 0.28 0.00 0.00 0.00 179.25 180.34 3jyi h VAL 80 N 0.69 1.01 -0.31 0.00 2.07 -1.20 -2.37 116.25 116.13 3jyi h VAL 80 Ca 0.12 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3jyi h VAL 80 Cb 0.58 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3jyi h VAL 80 CO 0.03 0.09 -0.12 -0.07 0.02 0.00 0.00 177.57 177.53 3jyi h LEU 81 N 0.52 0.52 -1.43 2.57 3.38 -1.20 -1.79 115.31 117.88 3jyi h LEU 81 Ca 0.20 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3jyi h LEU 81 Cb 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3jyi h LEU 81 CO -0.12 0.68 0.43 -1.28 0.09 0.00 0.00 178.44 178.24 3jyi h SER 82 N 0.50 0.63 0.16 -0.43 0.87 -0.75 -1.18 113.55 113.34 3jyi h SER 82 Ca 0.09 -0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.34 3jyi h SER 82 Cb 0.51 -0.14 0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3jyi h SER 82 CO 0.03 0.43 -1.30 0.03 -0.53 0.00 0.00 176.83 175.49 3jyi h ARG 83 N 0.73 0.60 -0.68 2.24 3.08 -1.04 -2.77 114.38 116.53 3jyi h ARG 83 Ca 0.26 -0.86 0.12 0.00 0.07 0.00 0.00 59.98 59.58 3jyi h ARG 83 Cb 0.14 0.29 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 3jyi h ARG 83 CO -0.08 1.40 0.24 0.28 -1.07 0.00 0.00 179.97 180.74 3jyi h VAL 84 N 0.22 0.69 0.00 2.04 2.07 -0.91 0.94 116.25 121.30 3jyi h VAL 84 Ca -0.21 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3jyi h VAL 84 Cb 1.98 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3jyi h VAL 84 CO 0.25 0.07 -0.05 0.44 0.02 0.00 0.00 177.57 178.30 3jyi h ASP 85 N 0.40 0.00 -0.52 0.57 3.32 -1.18 -2.59 116.42 116.41 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 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3jyi h ASP 85 CO -0.38 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.19 3jyi n ALA 86 N -2.49 2.41 -1.29 3.45 0.00 0.14 -4.93 120.51 117.81 3jyi n ALA 86 Ca -0.03 -1.06 -0.05 0.00 0.00 0.00 0.00 53.44 52.30 3jyi n ALA 86 Cb 0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3jyi n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyi n GLY 87 N 1.52 0.69 0.55 0.00 0.00 -0.64 -4.90 105.19 102.40 3jyi n GLY 87 Ca 0.21 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.65 2.14 -3.46 1.61 6.02 -0.12 -4.99 117.38 115.92 3jyi n GLN 88 Ca -0.05 -1.74 -0.11 0.00 -0.01 0.00 0.00 57.00 55.08 3jyi n GLN 88 Cb 0.23 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 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 -0.96 1.09 -0.06 -1.09 2.56 -1.21 -4.84 118.70 114.20 3jyi s GLU 89 Ca 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 54.97 54.84 3jyi s GLU 89 Cb 0.11 0.50 0.02 0.00 2.00 0.00 0.00 34.13 36.76 3jyi s GLU 89 CO 0.14 -0.46 -0.07 -0.65 -0.56 0.00 0.00 175.26 173.66 3jyi s GLN 90 N -3.23 1.21 0.53 4.30 -0.21 -1.26 -4.17 119.66 116.83 3jyi s GLN 90 Ca 0.01 -0.22 0.26 0.00 0.02 0.00 0.00 55.36 55.43 3jyi s GLN 90 Cb -0.01 -1.12 1.41 0.00 1.00 0.00 0.00 33.01 34.29 3jyi s GLN 90 CO -0.09 -0.07 1.98 -0.07 -2.12 0.00 0.00 175.29 174.92 3jyi h LEU 91 N 7.24 0.00 -0.20 2.90 4.07 -1.97 -1.41 115.31 125.95 3jyi h LEU 91 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3jyi h LEU 91 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3jyi h LEU 91 CO 0.46 0.00 -0.18 0.61 -1.08 0.00 0.00 178.44 178.25 3jyi n GLY 92 N -1.65 -1.02 3.74 0.83 0.00 -1.26 -1.34 105.19 104.49 3jyi n GLY 92 Ca 0.11 -0.28 -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 -2.64 4.21 -0.14 1.61 3.52 -0.53 -4.76 118.95 120.23 3jyi s ARG 93 Ca 0.23 2.39 -0.07 0.00 -0.13 0.00 0.00 55.73 58.16 3jyi s ARG 93 Cb 0.19 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 3jyi s ARG 93 CO 0.53 -0.54 0.10 0.50 -0.81 0.00 0.00 175.30 175.07 3jyi s ARG 94 N 0.19 3.56 -0.07 5.12 3.52 -1.26 -1.21 118.95 128.80 3jyi s ARG 94 Ca 0.64 -0.24 0.05 0.00 -0.13 0.00 0.00 55.73 56.06 3jyi s ARG 94 Cb -0.44 -3.15 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3jyi s ARG 94 CO 0.40 0.60 -0.23 0.42 -0.81 0.00 0.00 175.30 175.68 3jyi s ILE 95 N -0.54 1.92 -0.01 4.11 1.01 0.63 -4.93 121.20 123.38 3jyi s ILE 95 Ca 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3jyi s ILE 95 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3jyi s ILE 95 CO 0.02 0.53 -0.04 -1.00 0.00 0.00 0.00 174.94 174.46 3jyi s HIS 96 N 0.09 2.98 0.28 3.97 3.76 -1.26 -1.27 115.29 123.85 3jyi s HIS 96 Ca -0.10 0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 3jyi s HIS 96 Cb -0.15 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 3jyi s HIS 96 CO 0.05 0.41 0.34 1.52 -0.85 0.00 0.00 174.74 176.21 3jyi s TYR 97 N -1.01 1.11 0.24 1.40 -0.85 -1.26 -5.06 117.35 111.92 3jyi s TYR 97 Ca 0.17 -1.30 0.10 0.00 -0.52 0.00 0.00 57.07 55.53 3jyi s TYR 97 Cb -0.11 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 3jyi s TYR 97 CO 0.08 -0.92 -0.08 0.45 -1.52 0.00 0.00 175.55 173.56 3jyi s SER 98 N -3.21 4.23 0.42 -0.18 0.15 -1.26 -4.88 113.70 108.97 3jyi s SER 98 Ca 0.34 -0.70 0.23 0.00 0.70 0.00 0.00 55.95 56.52 3jyi s SER 98 Cb 0.02 -0.68 1.23 0.00 -1.71 0.00 0.00 66.02 64.88 3jyi s SER 98 CO 0.18 0.05 1.72 -0.61 1.20 0.00 0.00 173.24 175.78 3jyi h GLN 99 N 2.37 0.26 0.00 5.44 5.75 -1.98 0.18 115.11 127.12 3jyi h GLN 99 Ca -0.44 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 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 0.58 0.17 0.00 -1.71 -2.65 0.00 0.00 178.83 175.22 3jyi n ASN 100 N -4.62 0.18 0.02 -0.69 5.15 -1.26 -2.80 115.26 111.23 3jyi n ASN 100 Ca 0.29 0.54 -0.06 0.00 -0.60 0.00 0.00 54.58 54.75 3jyi n ASN 100 Cb 1.08 -0.58 -0.12 0.00 -0.53 0.00 0.00 39.78 39.63 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 -1.04 -3.47 116.42 114.04 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 0.31 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.92 3jyi h ASP 101 CO 0.00 0.90 0.89 0.18 -1.72 0.00 0.00 179.24 179.48 3jyi n LEU 102 N -3.10 3.43 0.00 1.55 4.32 -1.12 -4.90 117.00 117.17 3jyi n LEU 102 Ca -0.11 1.07 -0.14 0.00 -0.02 0.00 0.00 56.01 56.81 3jyi n LEU 102 Cb 0.97 -1.48 -0.01 0.00 -1.62 0.00 0.00 43.42 41.28 3jyi n LEU 102 CO 0.45 -0.12 -0.02 1.33 -1.22 0.00 0.00 177.39 177.81 3jyi n VAL 103 N 3.69 0.00 -1.68 4.08 0.24 -1.26 -5.07 118.33 118.33 3jyi n VAL 103 Ca 0.17 -1.14 -0.44 0.00 -2.04 0.00 0.00 64.34 60.88 3jyi n VAL 103 Cb 0.31 -0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.56 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 2.15 -2.73 7.34 2.13 -1.26 -4.13 120.64 123.16 3jyi n GLU 104 Ca -0.04 0.76 -0.07 0.00 0.66 0.00 0.00 57.16 58.47 3jyi n GLU 104 Cb 0.32 -2.43 0.01 0.00 0.27 0.00 0.00 31.44 29.61 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 1.82 -3.16 -3.17 4.31 9.36 -1.26 -4.59 117.16 120.47 3jyi n TYR 105 Ca 0.11 1.27 -0.22 0.00 3.32 0.00 0.00 57.90 62.38 3jyi n TYR 105 Cb 0.33 -3.85 -0.05 0.00 -0.63 0.00 0.00 39.34 35.14 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 -0.35 1.60 -0.32 2.98 7.64 -1.26 -1.84 113.62 122.06 3jyi n SER 106 Ca 0.11 -3.09 0.08 0.00 1.01 0.00 0.00 58.87 56.97 3jyi n SER 106 Cb 0.42 -0.62 0.24 0.00 -1.01 0.00 0.00 64.21 63.24 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 3.36 0.74 0.00 1.43 0.13 -1.95 -1.68 132.00 134.03 3jyi h PRO 107 Ca 0.11 -0.04 -0.35 0.00 -0.87 0.00 0.00 66.00 64.84 3jyi h PRO 107 Cb 0.83 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 31.73 3jyi h PRO 107 CO 0.58 0.49 -2.34 1.55 -0.23 0.00 0.00 178.00 178.05 3jyi n VAL 108 N -4.77 1.34 -0.02 1.56 3.14 -1.26 -4.49 118.33 113.82 3jyi n VAL 108 Ca 0.19 -0.69 -0.03 0.00 -2.96 0.00 0.00 64.34 60.84 3jyi n VAL 108 Cb 0.43 -0.85 0.21 0.00 -1.06 0.00 0.00 33.84 32.57 3jyi n VAL 108 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 3jyi h THR 109 N 0.00 1.24 -1.08 1.55 1.35 -1.96 -2.53 112.91 111.48 3jyi h THR 109 Ca -0.53 -1.08 0.31 0.00 -0.55 0.00 0.00 66.41 64.57 3jyi h THR 109 Cb 2.03 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 69.54 3jyi h THR 109 CO -0.02 0.36 0.85 -0.33 -0.25 0.00 0.00 175.52 176.12 3jyi h GLU 110 N 0.52 0.00 -0.63 4.72 5.08 -1.53 -2.36 114.58 120.38 3jyi h GLU 110 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3jyi h GLU 110 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3jyi h GLU 110 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 3jyi n LYS 111 N -4.00 2.53 -2.70 2.33 5.02 -0.95 -4.29 118.16 116.09 3jyi n LYS 111 Ca 0.23 -2.38 -0.06 0.00 -2.02 0.00 0.00 58.31 54.09 3jyi n LYS 111 Cb 1.20 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 34.74 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 1.45 1.45 -0.09 2.13 8.25 -0.89 -4.87 115.22 122.64 3jyi n HIS 112 Ca 0.22 -2.37 -0.14 0.00 -0.26 0.00 0.00 57.72 55.18 3jyi n HIS 112 Cb 0.57 -0.28 -0.02 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 0.96 0.04 2.41 3.38 -1.75 -1.68 115.31 121.36 3jyi h LEU 113 Ca -0.07 -0.48 -0.17 0.00 0.09 0.00 0.00 57.88 57.26 3jyi h LEU 113 Cb 1.25 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.75 3jyi h LEU 113 CO 0.35 1.27 -0.68 0.71 0.09 0.00 0.00 178.44 180.18 3jyi h THR 114 N 0.70 1.45 0.00 0.22 1.35 -1.90 -3.38 112.91 111.35 3jyi h THR 114 Ca 0.04 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3jyi h THR 114 Cb 1.07 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 3jyi h THR 114 CO 0.11 0.64 -1.09 -0.90 -0.25 0.00 0.00 175.52 174.03 3jyi n ASP 115 N -4.18 0.66 -0.44 5.36 5.75 -1.25 -5.04 116.55 117.41 3jyi n ASP 115 Ca -0.11 -0.47 0.02 0.00 -0.01 0.00 0.00 54.79 54.21 3jyi n ASP 115 Cb 0.72 0.97 -0.00 0.00 -1.03 0.00 0.00 41.12 41.78 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 1.42 -1.73 3.16 6.12 0.00 -0.63 -4.93 105.19 108.60 3jyi n GLY 116 Ca 0.02 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.29 0.62 0.63 1.61 -1.94 -0.39 -4.88 119.30 114.65 3jyi s MET 117 Ca 0.00 -0.53 -0.09 0.00 -1.71 0.00 0.00 55.69 53.37 3jyi s MET 117 Cb 0.00 0.26 -0.00 0.00 2.01 0.00 0.00 34.83 37.09 3jyi s MET 117 CO 0.00 -0.17 0.99 0.95 -0.01 0.00 0.00 175.02 176.78 3jyi s THR 118 N -2.09 3.96 0.24 2.05 -4.23 -1.26 -0.27 115.64 114.04 3jyi s THR 118 Ca -0.09 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 3jyi s THR 118 Cb -0.03 -3.60 0.23 0.00 1.34 0.00 0.00 72.50 70.44 3jyi s THR 118 CO -0.01 -0.71 1.88 0.58 -0.54 0.00 0.00 174.62 175.82 3jyi h VAL 119 N -0.33 1.14 -0.19 2.29 2.07 -0.99 -0.61 116.25 119.62 3jyi h VAL 119 Ca -0.45 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3jyi h VAL 119 Cb 1.24 -0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3jyi h VAL 119 CO 0.62 0.21 -0.16 -0.09 0.02 0.00 0.00 177.57 178.17 3jyi h ARG 120 N 1.13 -0.17 0.00 1.57 2.43 -1.50 -0.98 114.38 116.87 3jyi h ARG 120 Ca 0.37 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3jyi h ARG 120 Cb 0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3jyi h ARG 120 CO -0.13 -0.11 -0.23 0.93 -1.51 0.00 0.00 179.97 178.92 3jyi h GLU 121 N -0.17 0.00 0.02 0.20 5.08 -1.66 -1.52 114.58 116.53 3jyi h GLU 121 Ca 0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 3jyi h GLU 121 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.61 3jyi h GLU 121 CO -0.29 0.23 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.08 3jyi h LEU 122 N 0.00 0.67 -0.77 1.33 4.07 -0.63 -1.65 115.31 118.32 3jyi h LEU 122 Ca -0.00 -0.78 -0.10 0.00 0.08 0.00 0.00 57.88 57.08 3jyi h LEU 122 Cb 0.48 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3jyi h LEU 122 CO 0.03 1.36 -0.12 0.00 -1.08 0.00 0.00 178.44 178.64 3jyi h SER 124 N 0.73 0.77 -0.13 0.00 0.87 -1.29 -1.94 113.55 112.56 3jyi h SER 124 Ca 0.12 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 3jyi h SER 124 Cb 0.61 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3jyi h SER 124 CO 0.04 0.72 -0.30 0.00 -0.53 0.00 0.00 176.83 176.76 3jyi h ALA 125 N 1.08 0.93 0.01 6.23 0.00 -0.78 0.82 119.26 127.55 3jyi h ALA 125 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jyi h ALA 125 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jyi h ALA 125 CO -0.02 0.62 -0.00 0.00 0.00 0.00 0.00 179.25 179.84 3jyi h ALA 126 N 1.15 -0.01 0.00 0.00 0.00 -0.70 -1.66 119.26 118.05 3jyi h ALA 126 Ca 0.06 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3jyi h ALA 126 Cb 0.78 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3jyi h ALA 126 CO 0.06 -0.27 -0.53 0.82 0.00 0.00 0.00 179.25 179.34 3jyi h ILE 127 N -0.49 1.46 0.11 0.00 2.04 -1.40 -1.87 117.51 117.36 3jyi h ILE 127 Ca -0.00 -2.07 -0.28 0.00 1.00 0.00 0.00 64.86 63.51 3jyi h ILE 127 Cb 0.48 2.66 0.02 0.00 -0.74 0.00 0.00 36.82 39.24 3jyi h ILE 127 CO 0.00 0.59 -1.19 0.74 0.00 0.00 0.00 178.15 178.29 3jyi h THR 128 N -0.21 1.38 -0.04 -0.27 2.02 -0.95 -3.35 112.91 111.50 3jyi h THR 128 Ca -0.07 -2.67 0.00 0.00 0.77 0.00 0.00 66.41 64.45 3jyi h THR 128 Cb 1.26 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 3jyi h THR 128 CO 0.10 0.80 0.00 0.23 0.37 0.00 0.00 175.52 177.02 3jyi n MET 129 N -3.69 0.55 -2.17 6.66 2.81 -0.71 -1.86 117.12 118.71 3jyi n MET 129 Ca -0.11 -1.00 -0.16 0.00 -1.81 0.00 0.00 57.70 54.62 3jyi n MET 129 Cb 0.97 -1.07 -0.02 0.00 -0.71 0.00 0.00 33.22 32.39 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 0.08 -4.74 -4.68 7.83 2.88 -0.70 -4.90 113.62 109.39 3jyi n SER 130 Ca 0.03 0.18 -0.46 0.00 -1.33 0.00 0.00 58.87 57.28 3jyi n SER 130 Cb 0.15 -4.06 -0.04 0.00 -0.75 0.00 0.00 64.21 59.51 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 -1.63 3.51 -0.01 -3.46 4.64 -0.71 -4.94 116.55 113.96 3jyi n ASP 131 Ca -0.19 1.00 -0.17 0.00 -1.38 0.00 0.00 54.79 54.06 3jyi n ASP 131 Cb 0.62 -1.43 -0.12 0.00 -1.04 0.00 0.00 41.12 39.15 3jyi n ASP 131 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 3jyi h ASN 132 N 8.22 0.38 -0.88 1.67 2.35 -1.61 -2.98 115.58 122.73 3jyi h ASN 132 Ca -0.47 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.49 3jyi h ASN 132 Cb 1.25 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.47 3jyi h ASN 132 CO 0.93 1.13 0.56 0.74 -1.65 0.00 0.00 177.43 179.14 3jyi h THR 133 N -0.33 1.23 -0.78 2.81 2.02 -1.85 -1.96 112.91 114.06 3jyi h THR 133 Ca -0.06 -0.45 0.13 0.00 0.77 0.00 0.00 66.41 66.80 3jyi h THR 133 Cb 1.21 -0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.49 3jyi h THR 133 CO 0.09 0.23 0.37 0.00 0.37 0.00 0.00 175.52 176.58 3jyi h ALA 134 N 1.31 1.12 -0.28 6.16 0.00 -1.90 -0.33 119.26 125.34 3jyi h ALA 134 Ca 0.32 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 3jyi h ALA 134 Cb -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jyi h ALA 134 CO -0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 179.25 178.94 3jyi h ALA 135 N 1.52 0.39 0.22 0.00 0.00 -1.23 -2.47 119.26 117.69 3jyi h ALA 135 Ca 0.41 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jyi h ALA 135 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3jyi h ALA 135 CO -0.35 0.26 -0.31 -0.91 0.00 0.00 0.00 179.25 177.94 3jyi h ASN 136 N 0.32 -0.86 -0.88 0.00 2.35 -0.80 0.11 115.58 115.83 3jyi h ASN 136 Ca 0.06 0.09 0.23 0.00 -0.55 0.00 0.00 56.30 56.14 3jyi h ASN 136 Cb 0.63 0.31 -0.14 0.00 0.05 0.00 0.00 38.32 39.17 3jyi h ASN 136 CO 0.04 -0.42 0.25 -0.07 -1.65 0.00 0.00 177.43 175.57 3jyi h LEU 137 N -0.59 0.02 -0.63 1.61 4.07 -1.08 0.93 115.31 119.64 3jyi h LEU 137 Ca 0.01 0.20 -0.15 0.00 0.08 0.00 0.00 57.88 58.01 3jyi h LEU 137 Cb 0.58 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 3jyi h LEU 137 CO -0.12 -0.15 -0.57 -0.07 -1.08 0.00 0.00 178.44 176.45 3jyi h LEU 138 N 0.22 0.38 -0.36 1.67 3.38 -0.97 -2.14 115.31 117.49 3jyi h LEU 138 Ca 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3jyi h LEU 138 Cb 1.11 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3jyi h LEU 138 CO -0.65 0.87 0.18 -0.07 0.09 0.00 0.00 178.44 178.86 3jyi h LEU 139 N 0.26 0.46 -0.43 1.67 3.38 0.12 -2.64 115.31 118.13 3jyi h LEU 139 Ca 0.00 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.94 3jyi h LEU 139 Cb 1.08 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 3jyi h LEU 139 CO 0.09 0.44 -0.02 0.74 0.09 0.00 0.00 178.44 179.79 3jyi h THR 140 N 0.45 0.65 -0.89 0.22 2.02 -0.96 0.26 112.91 114.65 3jyi h THR 140 Ca 0.12 -0.03 0.34 0.00 0.77 0.00 0.00 66.41 67.62 3jyi h THR 140 Cb 0.10 0.56 -0.16 0.00 -1.74 0.00 0.00 68.15 66.90 3jyi h THR 140 CO -0.02 0.02 0.36 0.41 0.37 0.00 0.00 175.52 176.66 3jyi n THR 141 N -5.23 -0.37 0.42 3.16 -1.04 -0.82 -1.82 114.28 108.58 3jyi n THR 141 Ca 0.03 1.85 0.05 0.00 -2.04 0.00 0.00 64.05 63.94 3jyi n THR 141 Cb 0.23 -2.92 0.04 0.00 -1.82 0.00 0.00 70.33 65.85 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 -5.09 0.00 0.00 12.58 -5.35 -0.55 -4.97 119.36 115.98 3jyi n ILE 142 Ca 0.31 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3jyi n ILE 142 Cb 1.03 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 40.13 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 0.62 1.15 0.00 3.28 0.00 -0.49 -4.75 105.19 105.00 3jyi n GLY 143 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3jyi n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyi n GLY 144 N -1.79 -0.44 0.33 -0.02 0.00 0.79 -4.30 105.19 99.75 3jyi n GLY 144 Ca 0.00 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.37 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 0.41 -0.21 1.61 0.11 -1.85 -0.23 132.00 131.84 3jyi h PRO 145 Ca 0.00 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3jyi h PRO 145 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3jyi h PRO 145 CO 0.00 0.27 0.14 0.87 -0.21 0.00 0.00 178.00 179.08 3jyi h LYS 146 N 0.43 0.17 0.18 1.05 1.57 -1.80 -1.73 116.57 116.44 3jyi h LYS 146 Ca 0.63 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 59.07 3jyi h LYS 146 Cb 1.26 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.54 3jyi h LYS 146 CO -0.54 0.12 -1.52 0.93 -0.57 0.00 0.00 179.45 177.86 3jyi h GLU 147 N 0.18 0.38 -0.49 3.15 4.39 -1.23 -1.82 114.58 119.14 3jyi h GLU 147 Ca 0.09 -0.65 0.07 0.00 0.34 0.00 0.00 59.36 59.20 3jyi h GLU 147 Cb 0.13 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 3jyi h GLU 147 CO -0.02 1.29 0.16 1.25 -1.16 0.00 0.00 179.01 180.53 3jyi h LEU 148 N 0.10 0.14 -1.15 1.33 6.46 -1.32 0.46 115.31 121.34 3jyi h LEU 148 Ca -0.25 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 3jyi h LEU 148 Cb 2.08 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 42.04 3jyi h LEU 148 CO 0.21 0.11 0.32 0.74 -0.62 0.00 0.00 178.44 179.20 3jyi h THR 149 N 0.33 1.21 -0.41 1.05 2.02 -1.29 -1.99 112.91 113.82 3jyi h THR 149 Ca 0.24 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3jyi h THR 149 Cb 0.27 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3jyi h THR 149 CO -0.26 0.24 0.04 0.00 0.37 0.00 0.00 175.52 175.91 3jyi h ALA 150 N 1.44 0.55 -0.51 6.16 0.00 -0.82 -2.49 119.26 123.58 3jyi h ALA 150 Ca 0.23 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3jyi h ALA 150 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3jyi h ALA 150 CO -0.03 0.29 0.30 0.35 0.00 0.00 0.00 179.25 180.16 3jyi h PHE 151 N 0.54 0.56 -0.52 0.00 3.57 -0.48 -1.87 116.94 118.75 3jyi h PHE 151 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3jyi h PHE 151 Cb 0.41 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3jyi h PHE 151 CO 0.03 0.32 0.30 -0.07 -2.23 0.00 0.00 178.31 176.66 3jyi h LEU 152 N 0.60 0.48 -0.64 0.59 4.07 -1.33 -2.87 115.31 116.22 3jyi h LEU 152 Ca 0.21 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 3jyi h LEU 152 Cb 0.04 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 3jyi h LEU 152 CO -0.10 0.33 0.32 -0.74 -1.08 0.00 0.00 178.44 177.17 3jyi h HIS 153 N 0.60 0.90 0.00 1.13 2.76 -1.18 -1.79 115.15 117.58 3jyi h HIS 153 Ca 0.21 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3jyi h HIS 153 Cb 0.05 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.73 3jyi h HIS 153 CO -0.07 0.67 0.00 0.09 -1.30 0.00 0.00 177.93 177.32 3jyi n ASN 154 N -4.51 0.58 -0.88 3.26 3.02 -0.73 -1.52 115.26 114.49 3jyi n ASN 154 Ca 0.04 0.68 0.08 0.00 -0.03 0.00 0.00 54.58 55.36 3jyi n ASN 154 Cb 0.12 -0.79 0.18 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.19 2.38 0.00 3.52 0.00 -0.97 -4.97 117.12 114.89 3jyi n MET 155 Ca 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 57.70 55.62 3jyi n MET 155 Cb 0.16 -1.38 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 1.01 0.89 3.35 3.17 0.00 -0.58 -5.04 105.19 107.98 3jyi n GLY 156 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3jyi n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyi s ASP 157 N -2.23 6.22 -0.28 1.61 -1.08 -0.71 -4.89 116.67 115.30 3jyi s ASP 157 Ca 0.00 -1.65 0.10 0.00 -0.52 0.00 0.00 52.55 50.48 3jyi s ASP 157 Cb 0.00 -2.26 0.72 0.00 -1.46 0.00 0.00 42.92 39.92 3jyi s ASP 157 CO 0.00 -0.99 1.72 1.41 0.52 0.00 0.00 175.17 177.83 3jyi n HIS 158 N 5.79 2.22 0.00 -5.34 8.25 -1.26 -3.18 115.22 121.70 3jyi n HIS 158 Ca -0.10 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 3jyi n HIS 158 Cb 0.42 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 0.09 0.00 -2.11 1.59 0.31 -1.26 -5.04 118.33 111.91 3jyi n VAL 159 Ca 0.35 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.28 3jyi n VAL 159 Cb 1.28 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 32.71 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 2.72 -0.22 2.52 2.01 -1.26 -4.76 115.64 114.65 3jyi s THR 160 Ca 0.00 0.69 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 3jyi s THR 160 Cb 0.00 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 69.15 3jyi s THR 160 CO 0.00 0.14 0.53 0.00 -0.69 0.00 0.00 174.62 174.60 3jyi s ARG 161 N -1.97 0.52 -0.10 4.92 1.70 -1.02 -4.89 118.95 118.11 3jyi s ARG 161 Ca 0.52 0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 56.76 3jyi s ARG 161 Cb -0.39 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.05 3jyi s ARG 161 CO 0.51 -0.16 -0.05 -1.17 -1.08 0.00 0.00 175.30 173.35 3jyi s LEU 162 N 1.59 3.26 0.00 -1.89 2.96 -1.26 -3.01 118.68 120.34 3jyi s LEU 162 Ca -0.09 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3jyi s LEU 162 Cb -0.07 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.87 3jyi s LEU 162 CO -0.16 0.29 0.00 0.47 -1.32 0.00 0.00 176.35 175.63 3jyi n ASP 163 N 2.71 3.01 -4.64 3.68 8.00 -1.26 -4.23 116.55 123.83 3jyi n ASP 163 Ca -0.18 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.00 3jyi n ASP 163 Cb 0.53 0.24 -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 -1.63 2.17 0.54 -1.24 0.52 -1.26 -4.87 118.95 113.18 3jyi s ARG 164 Ca 0.00 -2.39 0.07 0.00 -0.52 0.00 0.00 55.73 52.89 3jyi s ARG 164 Cb 0.00 -1.34 0.07 0.00 0.52 0.00 0.00 34.95 34.20 3jyi s ARG 164 CO 0.00 -0.41 0.62 0.91 0.02 0.00 0.00 175.30 176.44 3jyi n TRP 165 N -1.23 -1.68 -2.74 -0.53 7.02 -1.26 -4.76 117.44 112.27 3jyi n TRP 165 Ca -0.18 -2.09 -0.39 0.00 -1.02 0.00 0.00 57.50 53.82 3jyi n TRP 165 Cb 0.67 -0.49 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 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 -4.36 4.79 0.00 -0.99 0.41 -1.26 -1.77 118.70 115.52 3jyi s GLU 166 Ca 0.47 1.48 0.25 0.00 -0.41 0.00 0.00 54.97 56.76 3jyi s GLU 166 Cb -0.04 -3.18 0.48 0.00 -1.78 0.00 0.00 34.13 29.61 3jyi s GLU 166 CO 0.30 0.45 1.40 -2.30 -0.49 0.00 0.00 175.26 174.62 3jyi n PRO 167 N 1.29 1.32 0.04 0.39 -0.02 -1.26 -4.93 135.00 131.83 3jyi n PRO 167 Ca -0.01 -0.95 0.08 0.00 -2.02 0.00 0.00 63.50 60.60 3jyi n PRO 167 Cb 0.47 -1.48 0.34 0.00 -0.02 0.00 0.00 33.50 32.82 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 -0.01 0.05 0.00 -0.52 0.00 -0.96 -2.96 120.64 116.24 3jyi n GLU 168 Ca 0.13 0.32 0.11 0.00 0.00 0.00 0.00 57.16 57.72 3jyi n GLU 168 Cb 0.42 -1.61 0.56 0.00 0.00 0.00 0.00 31.44 30.81 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 -1.71 0.00 -2.14 -1.84 -0.00 -0.73 -3.22 117.00 107.35 3jyi n LEU 169 Ca 0.03 0.30 -0.29 0.00 -0.00 0.00 0.00 56.01 56.05 3jyi n LEU 169 Cb 0.17 -0.30 0.07 0.00 -0.00 0.00 0.00 43.42 43.36 3jyi n LEU 169 CO 0.14 -0.08 0.96 0.61 -0.00 0.00 0.00 177.39 179.03 3jyi n GLY 170 N 0.63 5.93 0.09 1.47 0.00 -1.16 -4.63 105.19 107.53 3jyi n GLY 170 Ca 0.10 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 1.95 0.09 -6.10 1.61 4.81 -1.82 -0.86 114.58 114.27 3jyi h GLU 171 Ca 0.50 -0.16 -0.43 0.00 -0.13 0.00 0.00 59.36 59.15 3jyi h GLU 171 Cb 1.21 0.06 0.04 0.00 0.63 0.00 0.00 28.75 30.69 3jyi h GLU 171 CO 1.21 0.79 -0.77 0.00 -0.73 0.00 0.00 179.01 179.51 3jyi n ALA 172 N -2.62 -1.59 -1.73 2.92 0.00 -1.26 -4.59 120.51 111.64 3jyi n ALA 172 Ca -0.17 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3jyi n ALA 172 Cb 1.04 -3.67 -0.02 0.00 0.00 0.00 0.00 19.45 16.79 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 -4.56 0.54 -1.66 0.00 5.41 -1.26 -4.89 119.36 112.93 3jyi n ILE 173 Ca -0.10 -0.14 -0.45 0.00 1.00 0.00 0.00 62.75 63.06 3jyi n ILE 173 Cb 0.59 -1.95 -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 2.98 1.97 0.00 0.38 -0.02 -1.26 -1.52 135.00 137.52 3jyi n PRO 174 Ca 0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3jyi n PRO 174 Cb 0.35 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.19 0.00 -4.67 2.55 3.02 -1.26 -4.97 115.26 112.12 3jyi n ASN 175 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3jyi n ASN 175 Cb 0.31 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.79 6.82 0.00 6.41 -1.08 -0.58 -4.89 116.67 120.56 3jyi s ASP 176 Ca 0.00 1.99 0.28 0.00 -0.52 0.00 0.00 52.55 54.30 3jyi s ASP 176 Cb 0.00 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 39.89 3jyi s ASP 176 CO 0.00 -0.81 1.69 -0.62 0.52 0.00 0.00 175.17 175.96 3jyi n GLU 177 N 6.50 1.20 -2.01 4.34 1.02 -1.26 -4.82 120.64 125.61 3jyi n GLU 177 Ca 0.15 -0.67 -0.41 0.00 -0.02 0.00 0.00 57.16 56.21 3jyi n GLU 177 Cb 0.44 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.26 4.27 -1.21 3.49 0.52 -1.26 -3.42 118.95 119.08 3jyi s ARG 178 Ca 0.32 2.33 -0.06 0.00 -0.52 0.00 0.00 55.73 57.80 3jyi s ARG 178 Cb 0.20 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.62 3jyi s ARG 178 CO 0.43 -0.34 0.81 -0.25 0.02 0.00 0.00 175.30 175.97 3jyi n ASP 179 N 1.12 -5.60 -4.46 0.23 8.00 -1.16 -4.91 116.55 109.76 3jyi n ASP 179 Ca 0.02 -0.37 -0.23 0.00 0.71 0.00 0.00 54.79 54.91 3jyi n ASP 179 Cb 0.41 -4.30 -0.10 0.00 -0.02 0.00 0.00 41.12 37.11 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 -3.20 2.37 0.32 -3.53 -4.23 -1.16 -1.53 115.64 104.68 3jyi s THR 180 Ca 0.40 -2.38 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 3jyi s THR 180 Cb -0.18 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 3jyi s THR 180 CO 0.50 -0.42 0.26 0.28 -0.54 0.00 0.00 174.62 174.70 3jyi s THR 181 N -2.57 0.03 0.10 3.99 -1.32 -0.61 -2.44 115.64 112.83 3jyi s THR 181 Ca 0.29 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.84 3jyi s THR 181 Cb -0.04 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 3jyi s THR 181 CO 0.14 0.00 -0.10 -0.04 -2.21 0.00 0.00 174.62 172.41 3jyi s MET 182 N -3.53 2.13 0.23 7.08 -1.94 -1.26 -1.29 119.30 120.72 3jyi s MET 182 Ca 0.40 -1.02 -0.07 0.00 -1.71 0.00 0.00 55.69 53.29 3jyi s MET 182 Cb 0.03 -2.30 0.34 0.00 2.01 0.00 0.00 34.83 34.91 3jyi s MET 182 CO 0.26 0.51 1.79 -1.35 -0.01 0.00 0.00 175.02 176.21 3jyi h PRO 183 N 3.68 0.63 -0.89 2.03 0.11 -1.67 -1.31 132.00 134.58 3jyi h PRO 183 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3jyi h PRO 183 Cb 1.17 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 3jyi h PRO 183 CO 0.52 0.42 0.52 0.00 -0.21 0.00 0.00 178.00 179.25 3jyi h ALA 184 N 1.43 1.24 0.16 -0.75 0.00 -1.40 -2.59 119.26 117.36 3jyi h ALA 184 Ca 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3jyi h ALA 184 Cb 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3jyi h ALA 184 CO -0.26 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.55 3jyi h ALA 185 N 1.34 -0.22 -0.98 0.00 0.00 -1.60 -2.22 119.26 115.58 3jyi h ALA 185 Ca 0.32 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.22 3jyi h ALA 185 Cb -0.03 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 3jyi h ALA 185 CO -0.06 -0.36 0.57 1.98 0.00 0.00 0.00 179.25 181.39 3jyi h MET 186 N -0.75 0.61 -0.02 0.00 -1.53 -1.27 0.17 114.93 112.14 3jyi h MET 186 Ca -0.02 -0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.12 3jyi h MET 186 Cb 0.52 -0.14 0.01 0.00 -0.55 0.00 0.00 31.60 31.44 3jyi h MET 186 CO 0.04 0.40 -0.30 0.00 0.14 0.00 0.00 176.91 177.19 3jyi h ALA 187 N 1.69 0.06 -0.67 0.39 0.00 -1.49 0.30 119.26 119.54 3jyi h ALA 187 Ca 0.60 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3jyi h ALA 187 Cb 1.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3jyi h ALA 187 CO -0.44 0.13 0.45 1.15 0.00 0.00 0.00 179.25 180.53 3jyi h THR 188 N -0.36 1.17 -0.00 0.00 2.02 -0.92 -1.54 112.91 113.27 3jyi h THR 188 Ca -0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3jyi h THR 188 Cb 1.01 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3jyi h THR 188 CO 0.06 0.16 -0.02 0.74 0.37 0.00 0.00 175.52 176.84 3jyi h THR 189 N 0.90 1.58 -0.85 3.16 2.02 -0.52 -2.47 112.91 116.73 3jyi h THR 189 Ca 0.25 -1.72 0.16 0.00 0.77 0.00 0.00 66.41 65.87 3jyi h THR 189 Cb -0.09 2.74 -0.06 0.00 -1.74 0.00 0.00 68.15 69.00 3jyi h THR 189 CO -0.05 0.45 0.56 0.25 0.37 0.00 0.00 175.52 177.09 3jyi h LEU 190 N -0.71 0.49 -0.39 2.58 5.85 -0.27 -1.55 115.31 121.30 3jyi h LEU 190 Ca -0.00 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3jyi h LEU 190 Cb 0.74 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3jyi h LEU 190 CO 0.00 0.23 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.19 3jyi h ARG 191 N 0.51 0.73 -0.50 1.25 2.43 -1.21 -1.39 114.38 116.20 3jyi h ARG 191 Ca 0.43 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3jyi h ARG 191 Cb 0.91 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3jyi h ARG 191 CO -0.17 0.86 0.06 0.87 -1.51 0.00 0.00 179.97 180.07 3jyi h LYS 192 N 0.55 0.79 -0.42 0.20 1.57 -0.83 -0.57 116.57 117.86 3jyi h LYS 192 Ca 0.10 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 3jyi h LYS 192 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3jyi h LYS 192 CO 0.03 0.76 0.00 -0.07 -0.57 0.00 0.00 179.45 179.61 3jyi h LEU 193 N 0.75 0.72 0.00 2.94 4.07 -1.26 -1.02 115.31 121.51 3jyi h LEU 193 Ca 0.16 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3jyi h LEU 193 Cb 0.37 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3jyi h LEU 193 CO 0.01 0.85 -0.49 -0.07 -1.08 0.00 0.00 178.44 177.65 3jyi h LEU 194 N 0.57 0.00 0.00 1.67 3.38 -0.98 -3.41 115.31 116.54 3jyi h LEU 194 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3jyi h LEU 194 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3jyi h LEU 194 CO 0.02 0.04 -0.25 0.41 0.09 0.00 0.00 178.44 178.75 3jyi n THR 195 N -2.50 0.00 -1.71 0.22 -1.04 -0.25 -4.90 114.28 104.10 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 0.49 -0.22 0.07 0.00 -1.82 0.00 0.00 70.33 68.84 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 1.09 -0.59 0.68 3.41 0.00 -0.39 -4.96 105.19 104.43 3jyi n GLY 196 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.96 1.86 -0.05 1.61 4.07 -1.26 -4.31 120.64 120.61 3jyi n GLU 197 Ca 0.06 -1.33 -0.11 0.00 -0.06 0.00 0.00 57.16 55.73 3jyi n GLU 197 Cb 0.23 -1.33 -0.05 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 2.30 0.24 -9.82 4.31 5.85 -1.92 -3.43 115.31 112.84 3jyi h LEU 198 Ca 0.00 -0.17 -0.55 0.00 0.84 0.00 0.00 57.88 58.00 3jyi h LEU 198 Cb 0.52 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 3jyi h LEU 198 CO 0.00 0.34 -0.55 -0.76 -0.34 0.00 0.00 178.44 177.13 3jyi s LEU 199 N -9.83 3.84 0.77 2.25 1.02 -1.26 -4.98 118.68 110.49 3jyi s LEU 199 Ca -0.14 -0.15 -0.13 0.00 0.02 0.00 0.00 54.13 53.74 3jyi s LEU 199 Cb 0.07 -2.42 0.06 0.00 0.02 0.00 0.00 46.19 43.92 3jyi s LEU 199 CO 0.70 0.04 1.15 0.42 0.02 0.00 0.00 176.35 178.68 3jyi s THR 200 N -1.86 2.65 0.36 5.49 -4.23 -1.26 -4.72 115.64 112.06 3jyi s THR 200 Ca 0.32 0.26 0.03 0.00 -1.18 0.00 0.00 61.69 61.12 3jyi s THR 200 Cb -0.09 -2.67 0.24 0.00 1.34 0.00 0.00 72.50 71.31 3jyi s THR 200 CO 0.24 -0.22 1.98 0.17 -0.54 0.00 0.00 174.62 176.25 3jyi h LEU 201 N -0.80 0.63 -1.43 4.79 8.10 -1.97 0.16 115.31 124.80 3jyi h LEU 201 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 57.88 57.52 3jyi h LEU 201 Cb 1.27 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 41.29 3jyi h LEU 201 CO 0.49 0.51 0.41 0.00 -4.11 0.00 0.00 178.44 175.74 3jyi h ALA 202 N 1.59 1.65 0.11 0.17 0.00 -1.99 -0.01 119.26 120.78 3jyi h ALA 202 Ca 0.19 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 3jyi h ALA 202 Cb 0.02 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.63 3jyi h ALA 202 CO -0.03 0.29 -1.20 0.77 0.00 0.00 0.00 179.25 179.08 3jyi h SER 203 N 0.75 0.87 -0.72 0.00 0.02 -1.37 -1.83 113.55 111.28 3jyi h SER 203 Ca 0.24 -0.82 0.06 0.00 -0.84 0.00 0.00 61.79 60.44 3jyi h SER 203 Cb 0.05 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.26 3jyi h SER 203 CO -0.06 1.60 0.41 0.03 -1.14 0.00 0.00 176.83 177.66 3jyi h ARG 204 N 0.26 0.72 -0.42 3.45 3.08 -0.48 -0.72 114.38 120.27 3jyi h ARG 204 Ca -0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 3jyi h ARG 204 Cb 1.88 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 3jyi h ARG 204 CO 0.23 0.48 0.11 0.37 -1.07 0.00 0.00 179.97 180.09 3jyi h GLN 205 N 0.75 0.68 -0.55 0.04 5.75 -0.98 -2.40 115.11 118.40 3jyi h GLN 205 Ca 0.32 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 3jyi h GLN 205 Cb 0.20 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3jyi h GLN 205 CO -0.19 0.69 0.18 0.37 -2.65 0.00 0.00 178.83 177.23 3jyi h GLN 206 N 0.55 0.85 0.27 1.69 5.75 -0.87 0.35 115.11 123.69 3jyi h GLN 206 Ca 0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3jyi h GLN 206 Cb 0.31 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3jyi h GLN 206 CO 0.00 0.77 -0.28 1.25 -2.65 0.00 0.00 178.83 177.92 3jyi h LEU 207 N 0.76 -0.77 -1.03 -2.39 5.85 -1.01 -1.83 115.31 114.89 3jyi h LEU 207 Ca 0.18 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 3jyi h LEU 207 Cb 0.27 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3jyi h LEU 207 CO -0.01 -0.40 -0.17 -0.29 -0.34 0.00 0.00 178.44 177.23 3jyi h ILE 208 N -0.59 1.24 -0.83 4.05 2.10 -1.34 -2.24 117.51 119.91 3jyi h ILE 208 Ca -0.01 -1.11 0.05 0.00 1.08 0.00 0.00 64.86 64.88 3jyi h ILE 208 Cb 0.55 1.21 -0.05 0.00 -1.09 0.00 0.00 36.82 37.44 3jyi h ILE 208 CO -0.07 0.36 0.54 0.44 -1.08 0.00 0.00 178.15 178.34 3jyi h ASP 209 N 0.46 0.84 -0.25 2.19 5.19 -0.69 0.39 116.42 124.55 3jyi h ASP 209 Ca 0.08 -0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.33 3jyi h ASP 209 Cb 0.55 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.88 3jyi h ASP 209 CO 0.04 0.55 -0.48 -0.50 -3.12 0.00 0.00 179.24 175.73 3jyi h TRP 210 N 0.96 0.96 -0.24 4.55 6.55 -0.76 -2.57 115.95 125.39 3jyi h TRP 210 Ca 0.35 -0.34 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 3jyi h TRP 210 Cb 0.15 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 3jyi h TRP 210 CO -0.00 1.14 -0.03 0.52 -1.05 0.00 0.00 178.44 179.02 3jyi h MET 211 N 0.50 0.45 -0.80 0.49 2.86 -1.00 -2.27 114.93 115.16 3jyi h MET 211 Ca 0.01 -0.16 0.21 0.00 -2.06 0.00 0.00 59.70 57.70 3jyi h MET 211 Cb 1.08 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 3jyi h MET 211 CO 0.11 0.66 0.55 1.49 1.06 0.00 0.00 176.91 180.78 3jyi h GLU 212 N 0.21 0.16 -0.22 1.72 4.81 -0.92 -0.96 114.58 119.38 3jyi h GLU 212 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3jyi h GLU 212 Cb 0.47 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3jyi h GLU 212 CO 0.02 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 178.41 3jyi n ALA 213 N -2.62 2.47 -1.60 2.92 0.00 -0.86 -4.88 120.51 115.95 3jyi n ALA 213 Ca 0.16 -0.39 -0.54 0.00 0.00 0.00 0.00 53.44 52.67 3jyi n ALA 213 Cb 0.75 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 0.14 2.40 0.04 0.00 4.64 -0.38 -4.87 116.55 118.52 3jyi n ASP 214 Ca 0.08 0.83 0.11 0.00 -1.38 0.00 0.00 54.79 54.43 3jyi n ASP 214 Cb 0.19 -1.20 0.00 0.00 -1.04 0.00 0.00 41.12 39.07 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 6.58 0.37 0.00 -0.67 4.76 -0.78 -4.85 118.16 123.57 3jyi n LYS 215 Ca 0.32 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 3jyi n LYS 215 Cb 0.18 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 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 -2.10 0.00 -0.91 -0.18 0.31 -1.23 -4.67 118.33 109.55 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 0.47 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 -0.06 3.52 0.00 -1.26 -4.86 120.51 114.84 3jyi n ALA 217 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 0.19 1.54 0.00 0.00 -1.91 -2.49 103.07 100.41 3jyi h GLY 218 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3jyi h GLY 218 CO 0.00 -0.09 0.00 -1.05 0.00 0.00 0.00 176.54 175.40 3jyi n PRO 219 N -5.21 0.20 0.00 4.80 -0.02 -1.26 -2.93 135.00 130.58 3jyi n PRO 219 Ca -0.01 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3jyi n PRO 219 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.27 0.00 -0.23 2.45 4.32 -0.94 -4.53 117.00 116.80 3jyi n LEU 220 Ca 0.07 0.00 0.24 0.00 -0.02 0.00 0.00 56.01 56.30 3jyi n LEU 220 Cb 0.10 0.00 0.61 0.00 -1.62 0.00 0.00 43.42 42.51 3jyi n LEU 220 CO 0.10 0.00 1.24 -0.07 -1.22 0.00 0.00 177.39 177.44 3jyi h LEU 221 N 0.00 0.23 -1.51 2.23 4.07 -1.84 -2.15 115.31 116.34 3jyi h LEU 221 Ca 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 3jyi h LEU 221 Cb 0.00 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3jyi h LEU 221 CO 0.00 0.08 -0.23 0.03 -1.08 0.00 0.00 178.44 177.24 3jyi h ARG 222 N 0.22 0.03 0.00 1.13 3.08 -1.75 -2.08 114.38 115.01 3jyi h ARG 222 Ca 0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3jyi h ARG 222 Cb 1.49 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.53 3jyi h ARG 222 CO -0.12 0.26 0.00 -1.13 -1.07 0.00 0.00 179.97 177.91 3jyi n SER 223 N -4.26 0.00 -0.59 7.04 3.41 -0.81 -2.15 113.62 116.26 3jyi n SER 223 Ca -0.02 0.12 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 3jyi n SER 223 Cb 0.29 -0.35 0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3jyi n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyi n ALA 224 N -1.35 2.33 -2.69 7.33 0.00 -0.79 -4.99 120.51 120.35 3jyi n ALA 224 Ca 0.09 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.28 3jyi n ALA 224 Cb 0.21 -0.44 -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 -1.00 4.18 0.72 0.00 2.96 -0.91 -4.66 118.68 119.97 3jyi s LEU 225 Ca 0.20 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.46 3jyi s LEU 225 Cb 0.12 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.42 3jyi s LEU 225 CO 0.16 0.01 1.07 -2.84 -1.32 0.00 0.00 176.35 173.43 3jyi s PRO 226 N 0.97 2.71 0.46 0.98 0.02 -1.26 -5.01 135.00 133.87 3jyi s PRO 226 Ca 0.17 0.83 -0.24 0.00 0.02 0.00 0.00 61.00 61.77 3jyi s PRO 226 Cb -0.14 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 3jyi s PRO 226 CO 0.06 -1.23 1.32 0.00 -0.33 0.00 0.00 177.00 176.83 3jyi s ALA 227 N -3.10 3.10 0.00 -1.55 0.00 -1.26 -3.11 121.76 115.85 3jyi s ALA 227 Ca 0.59 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3jyi s ALA 227 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3jyi s ALA 227 CO 0.55 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3jyi n GLY 228 N 0.63 3.42 3.78 0.00 0.00 -1.26 -5.00 105.19 106.75 3jyi n GLY 228 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.96 3.83 0.08 1.61 0.52 -1.18 0.12 118.94 120.95 3jyi s TRP 229 Ca 0.00 1.71 -0.22 0.00 0.02 0.00 0.00 56.10 57.61 3jyi s TRP 229 Cb 0.00 -2.84 -0.07 0.00 -1.15 0.00 0.00 33.47 29.41 3jyi s TRP 229 CO 0.00 0.39 0.66 0.12 0.02 0.00 0.00 176.95 178.13 3jyi s PHE 230 N -1.35 3.80 -0.11 -1.98 5.36 0.13 -4.74 117.98 119.08 3jyi s PHE 230 Ca 0.42 1.38 -0.06 0.00 -0.96 0.00 0.00 56.93 57.72 3jyi s PHE 230 Cb -0.21 -2.64 0.05 0.00 -0.34 0.00 0.00 43.02 39.88 3jyi s PHE 230 CO 0.26 0.48 0.26 -1.50 -1.46 0.00 0.00 175.22 173.26 3jyi s ILE 231 N -0.78 -0.09 -0.14 3.12 2.07 -1.26 -1.40 121.20 122.72 3jyi s ILE 231 Ca 0.32 0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.75 3jyi s ILE 231 Cb -0.20 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 41.98 3jyi s ILE 231 CO 0.21 0.07 -0.22 0.00 -1.91 0.00 0.00 174.94 173.09 3jyi s ALA 232 N 1.44 2.26 0.23 1.50 0.00 0.50 -4.35 121.76 123.34 3jyi s ALA 232 Ca -0.08 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 3jyi s ALA 232 Cb -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3jyi s ALA 232 CO -0.09 0.01 0.52 0.16 0.00 0.00 0.00 175.76 176.37 3jyi s ASP 233 N 0.75 -0.17 -0.08 0.00 -4.77 -1.11 -0.69 116.67 110.59 3jyi s ASP 233 Ca -0.08 -0.71 -0.04 0.00 -3.30 0.00 0.00 52.55 48.42 3jyi s ASP 233 Cb -0.16 0.60 0.04 0.00 -1.09 0.00 0.00 42.92 42.31 3jyi s ASP 233 CO -0.00 -1.13 0.18 -0.75 0.70 0.00 0.00 175.17 174.17 3jyi s LYS 234 N -3.95 0.11 0.37 2.11 2.47 -0.58 -4.67 119.74 115.60 3jyi s LYS 234 Ca 0.15 0.47 0.05 0.00 -1.56 0.00 0.00 55.97 55.08 3jyi s LYS 234 Cb -0.01 -0.17 -0.00 0.00 -1.46 0.00 0.00 37.83 36.18 3jyi s LYS 234 CO 0.04 -0.20 0.53 -1.54 0.16 0.00 0.00 175.35 174.34 3jyi s SER 235 N 1.47 5.90 -0.01 1.43 1.04 -1.26 -1.64 113.70 120.63 3jyi s SER 235 Ca -0.06 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 3jyi s SER 235 Cb -0.11 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.77 3jyi s SER 235 CO -0.07 -0.53 0.09 -0.83 0.98 0.00 0.00 173.24 172.88 3jyi s GLY 236 N -4.20 0.02 0.10 7.32 0.00 0.05 -3.87 107.32 106.73 3jyi s GLY 236 Ca 0.47 -0.01 0.05 0.00 0.00 0.00 0.00 44.72 45.22 3jyi s GLY 236 CO 0.33 -0.09 -0.12 0.00 0.00 0.00 0.00 173.10 173.21 3jyi s ALA 237 N -0.72 1.22 0.29 3.20 0.00 -1.26 -1.25 121.76 123.24 3jyi s ALA 237 Ca -0.08 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 3jyi s ALA 237 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3jyi s ALA 237 CO 0.00 0.06 0.48 0.41 0.00 0.00 0.00 175.76 176.72 3jyi n GLY 238 N 0.78 1.84 3.77 0.00 0.00 -0.65 -4.48 105.19 106.45 3jyi n GLY 238 Ca -0.18 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.38 2.03 -1.31 1.61 2.56 -0.33 -3.66 118.70 117.22 3jyi s GLU 239 Ca 0.18 0.90 -0.03 0.00 0.00 0.00 0.00 54.97 56.01 3jyi s GLU 239 Cb -0.02 -1.89 0.01 0.00 2.00 0.00 0.00 34.13 34.23 3jyi s GLU 239 CO 0.13 -1.72 0.91 0.54 -0.56 0.00 0.00 175.26 174.56 3jyi n ARG 240 N -3.54 -6.02 -1.38 4.30 1.74 -1.26 -2.48 116.66 108.02 3jyi n ARG 240 Ca 0.08 0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 57.75 3jyi n ARG 240 Cb 0.55 -5.56 -0.06 0.00 -1.02 0.00 0.00 32.46 26.37 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 -1.50 1.30 3.74 -0.13 0.00 -1.17 -0.85 105.19 106.58 3jyi n GLY 241 Ca -0.21 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3jyi n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyi s SER 242 N -2.59 6.84 -0.01 1.61 0.01 -1.03 -4.29 113.70 114.23 3jyi s SER 242 Ca 0.00 2.48 -0.27 0.00 1.31 0.00 0.00 55.95 59.47 3jyi s SER 242 Cb 0.00 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.68 3jyi s SER 242 CO 0.00 -0.56 0.60 -0.60 0.41 0.00 0.00 173.24 173.09 3jyi s ARG 243 N -0.29 1.03 0.03 12.44 6.06 0.13 -1.64 118.95 136.70 3jyi s ARG 243 Ca 0.57 0.07 -0.29 0.00 -2.50 0.00 0.00 55.73 53.58 3jyi s ARG 243 Cb -0.38 0.48 0.11 0.00 0.06 0.00 0.00 34.95 35.22 3jyi s ARG 243 CO 0.40 -0.34 1.21 0.20 -2.50 0.00 0.00 175.30 174.28 3jyi s GLY 244 N -1.45 -0.33 -0.20 8.12 0.00 -0.38 -0.42 107.32 112.66 3jyi s GLY 244 Ca -0.09 0.49 -0.27 0.00 0.00 0.00 0.00 44.72 44.84 3jyi s GLY 244 CO 0.06 0.62 0.79 -1.50 0.00 0.00 0.00 173.10 173.07 3jyi s ILE 245 N -2.55 0.00 0.11 0.90 2.07 0.02 -0.77 121.20 120.98 3jyi s ILE 245 Ca 0.15 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.49 3jyi s ILE 245 Cb 0.03 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 3jyi s ILE 245 CO -0.02 0.00 -0.24 0.27 -1.91 0.00 0.00 174.94 173.04 3jyi s ILE 246 N -0.25 1.95 -0.18 2.00 -4.36 -0.65 -1.27 121.20 118.44 3jyi s ILE 246 Ca -0.03 -1.61 -0.28 0.00 -0.26 0.00 0.00 60.65 58.48 3jyi s ILE 246 Cb -0.03 -1.74 0.08 0.00 1.25 0.00 0.00 42.46 42.02 3jyi s ILE 246 CO 0.02 0.03 0.76 0.00 0.24 0.00 0.00 174.94 176.00 3jyi s ALA 247 N -1.09 -1.81 -0.21 2.27 0.00 -0.52 -1.53 121.76 118.87 3jyi s ALA 247 Ca 0.10 1.72 -0.06 0.00 0.00 0.00 0.00 51.96 53.71 3jyi s ALA 247 Cb -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3jyi s ALA 247 CO 0.05 -0.34 0.04 0.00 0.00 0.00 0.00 175.76 175.51 3jyi s ALA 248 N -0.34 3.18 0.12 0.00 0.00 0.13 -1.25 121.76 123.60 3jyi s ALA 248 Ca -0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3jyi s ALA 248 Cb -0.03 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 3jyi s ALA 248 CO 0.04 -0.15 0.10 -0.48 0.00 0.00 0.00 175.76 175.27 3jyi s LEU 249 N 0.99 1.70 -0.23 0.00 2.34 -0.70 -0.37 118.68 122.41 3jyi s LEU 249 Ca 0.03 -1.04 -0.37 0.00 0.06 0.00 0.00 54.13 52.81 3jyi s LEU 249 Cb -0.14 0.55 0.15 0.00 -0.56 0.00 0.00 46.19 46.19 3jyi s LEU 249 CO 0.02 -0.74 1.35 -0.83 -1.06 0.00 0.00 176.35 175.09 3jyi s GLY 250 N -2.99 -0.26 0.63 -3.48 0.00 -0.50 -1.23 107.32 99.50 3jyi s GLY 250 Ca 0.18 1.69 -0.11 0.00 0.00 0.00 0.00 44.72 46.48 3jyi s GLY 250 CO -0.02 0.54 1.04 2.56 0.00 0.00 0.00 173.10 177.22 3jyi s PRO 251 N -2.14 3.49 -0.93 2.90 0.05 -1.23 0.20 135.00 137.35 3jyi s PRO 251 Ca 0.12 0.77 -0.02 0.00 0.05 0.00 0.00 61.00 61.92 3jyi s PRO 251 Cb 0.00 -2.07 0.00 0.00 0.05 0.00 0.00 34.50 32.49 3jyi s PRO 251 CO -0.03 -0.65 0.23 -0.25 0.05 0.00 0.00 177.00 176.34 3jyi n ASP 252 N -2.81 -4.02 -0.04 6.66 8.00 -1.07 -3.01 116.55 120.26 3jyi n ASP 252 Ca 0.06 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.45 3jyi n ASP 252 Cb 0.54 -3.02 -0.00 0.00 -0.02 0.00 0.00 41.12 38.61 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 -1.13 0.15 3.27 0.44 0.00 0.32 -4.95 105.19 103.29 3jyi n GLY 253 Ca -0.09 -0.01 -0.27 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 -1.67 1.55 0.35 1.61 1.02 -1.17 -4.62 119.74 116.81 3jyi s LYS 254 Ca 0.00 -0.95 -0.22 0.00 0.02 0.00 0.00 55.97 54.82 3jyi s LYS 254 Cb 0.00 -1.65 -0.10 0.00 -0.52 0.00 0.00 37.83 35.56 3jyi s LYS 254 CO 0.00 0.43 0.89 -1.25 -0.92 0.00 0.00 175.35 174.50 3jyi s PRO 255 N -1.08 4.32 0.00 -1.68 0.04 -1.26 -3.45 135.00 131.89 3jyi s PRO 255 Ca 0.09 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3jyi s PRO 255 Cb -0.09 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3jyi s PRO 255 CO 0.01 0.15 0.00 -1.13 0.04 0.00 0.00 177.00 176.08 3jyi n SER 256 N -0.03 0.00 -4.11 6.66 3.41 -0.36 -4.84 113.62 114.35 3jyi n SER 256 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 3jyi n SER 256 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3jyi n SER 256 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3jyi s ARG 257 N 0.00 0.66 -0.13 4.33 0.52 -0.86 -1.54 118.95 121.93 3jyi s ARG 257 Ca 0.00 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 3jyi s ARG 257 Cb 0.00 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 3jyi s ARG 257 CO 0.00 0.04 -0.03 0.42 0.02 0.00 0.00 175.30 175.75 3jyi s ILE 258 N -2.08 3.98 -0.08 1.52 1.01 0.07 -1.72 121.20 123.91 3jyi s ILE 258 Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3jyi s ILE 258 Cb -0.05 -2.72 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 3jyi s ILE 258 CO -0.01 0.52 -0.23 -0.69 0.00 0.00 0.00 174.94 174.53 3jyi s VAL 259 N -0.00 1.97 -0.05 2.92 1.01 -0.38 0.05 120.40 125.91 3jyi s VAL 259 Ca 0.01 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3jyi s VAL 259 Cb -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3jyi s VAL 259 CO 0.02 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 3jyi s VAL 260 N 0.11 1.41 -0.02 2.92 1.01 -0.67 -1.44 120.40 123.72 3jyi s VAL 260 Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3jyi s VAL 260 Cb -0.16 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.03 3jyi s VAL 260 CO 0.06 0.41 0.02 -0.63 0.00 0.00 0.00 175.10 174.96 3jyi s ILE 261 N 0.21 0.01 0.00 2.22 1.01 -0.40 -1.92 121.20 122.34 3jyi s ILE 261 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3jyi s ILE 261 Cb -0.13 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.19 3jyi s ILE 261 CO 0.03 0.11 -0.01 -0.31 0.00 0.00 0.00 174.94 174.76 3jyi s TYR 262 N 1.11 0.07 0.01 3.97 2.02 -0.56 -0.80 117.35 123.18 3jyi s TYR 262 Ca -0.09 -0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 3jyi s TYR 262 Cb -0.13 -0.05 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 3jyi s TYR 262 CO -0.03 -0.03 -0.01 -0.08 -1.57 0.00 0.00 175.55 173.83 3jyi s THR 263 N -0.25 0.08 -0.08 -0.71 -1.32 0.44 0.04 115.64 113.84 3jyi s THR 263 Ca -0.03 -0.63 -0.10 0.00 -1.21 0.00 0.00 61.69 59.72 3jyi s THR 263 Cb -0.02 -0.20 0.02 0.00 -1.51 0.00 0.00 72.50 70.79 3jyi s THR 263 CO -0.00 -0.35 0.26 0.28 -2.21 0.00 0.00 174.62 172.60 3jyi s THR 264 N -1.03 0.02 0.00 5.08 -1.32 -1.23 -0.70 115.64 116.46 3jyi s THR 264 Ca -0.11 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 3jyi s THR 264 Cb -0.07 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.50 3jyi s THR 264 CO -0.01 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 3jyi n GLY 265 N 2.50 0.97 3.70 6.08 0.00 -0.03 -3.84 105.19 114.57 3jyi n GLY 265 Ca -0.15 0.00 -0.32 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 -1.19 3.61 0.00 1.61 0.15 -1.24 -4.77 113.70 111.88 3jyi s SER 266 Ca 0.00 2.21 0.12 0.00 0.70 0.00 0.00 55.95 58.98 3jyi s SER 266 Cb 0.00 -2.57 0.27 0.00 -1.71 0.00 0.00 66.02 62.01 3jyi s SER 266 CO 0.00 -2.64 1.17 0.00 1.20 0.00 0.00 173.24 172.96 3jyi n GLN 267 N -3.55 2.23 -1.68 5.44 6.02 -1.26 -3.07 117.38 121.51 3jyi n GLN 267 Ca 0.12 -1.86 -0.32 0.00 -0.01 0.00 0.00 57.00 54.93 3jyi n GLN 267 Cb 0.51 -1.28 0.05 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 2.51 0.87 -1.58 0.00 -1.26 -5.02 121.76 116.27 3jyi s ALA 268 Ca 0.22 0.39 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3jyi s ALA 268 Cb 0.13 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 20.04 3jyi s ALA 268 CO 0.17 -1.28 0.81 2.41 0.00 0.00 0.00 175.76 177.88 3jyi n THR 269 N -2.67 0.84 -0.09 0.00 -1.04 -1.26 -4.77 114.28 105.28 3jyi n THR 269 Ca 0.09 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.05 61.86 3jyi n THR 269 Cb 0.53 -0.88 0.01 0.00 -1.82 0.00 0.00 70.33 68.16 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 -1.28 0.15 -0.96 -2.82 4.05 -1.99 -1.14 114.93 110.94 3jyi h MET 270 Ca -0.44 -0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.10 3jyi h MET 270 Cb 1.29 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.98 3jyi h MET 270 CO 0.40 0.10 0.61 -0.44 0.23 0.00 0.00 176.91 177.81 3jyi h ASP 271 N 0.16 0.82 -0.14 1.39 3.32 -1.99 0.61 116.42 120.59 3jyi h ASP 271 Ca 0.16 0.05 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 3jyi h ASP 271 Cb 0.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3jyi h ASP 271 CO -0.23 0.42 -0.67 -0.33 -1.72 0.00 0.00 179.24 176.71 3jyi h GLU 272 N 0.87 0.77 -0.07 3.56 5.08 -1.73 -1.24 114.58 121.81 3jyi h GLU 272 Ca 0.48 -0.56 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 3jyi h GLU 272 Cb 0.60 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3jyi h GLU 272 CO -0.25 1.18 -0.57 0.00 -1.00 0.00 0.00 179.01 178.37 3jyi h ARG 273 N 0.55 0.22 0.42 2.33 3.08 -0.69 -2.71 114.38 117.58 3jyi h ARG 273 Ca -0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3jyi h ARG 273 Cb 1.28 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3jyi h ARG 273 CO 0.14 0.73 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.59 3jyi h ASN 274 N 0.17 -0.68 -0.69 7.04 2.35 -0.71 -2.88 115.58 120.18 3jyi h ASN 274 Ca -0.00 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.90 3jyi h ASN 274 Cb 1.05 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 39.54 3jyi h ASN 274 CO 0.09 -0.42 0.28 -0.09 -1.65 0.00 0.00 177.43 175.64 3jyi h ARG 275 N -0.66 0.45 -0.22 0.81 2.43 -1.12 0.13 114.38 116.18 3jyi h ARG 275 Ca -0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3jyi h ARG 275 Cb 0.55 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3jyi h ARG 275 CO 0.04 0.29 -0.05 1.96 -1.51 0.00 0.00 179.97 180.70 3jyi h GLN 276 N 0.46 0.34 0.18 0.20 1.08 -1.47 -1.21 115.11 114.70 3jyi h GLN 276 Ca 0.36 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 3jyi h GLN 276 Cb 0.48 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3jyi h GLN 276 CO -0.34 0.41 -0.09 0.82 -0.95 0.00 0.00 178.83 178.69 3jyi h ILE 277 N 0.33 0.92 -0.95 2.54 1.08 -0.82 -2.62 117.51 117.99 3jyi h ILE 277 Ca 0.07 -0.86 0.14 0.00 -0.39 0.00 0.00 64.86 63.81 3jyi h ILE 277 Cb 0.31 1.41 -0.09 0.00 -3.07 0.00 0.00 36.82 35.38 3jyi h ILE 277 CO 0.01 0.19 0.57 0.00 -0.69 0.00 0.00 178.15 178.23 3jyi h ALA 278 N -0.02 1.45 -0.01 1.87 0.00 -0.90 -1.41 119.26 120.24 3jyi h ALA 278 Ca -0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3jyi h ALA 278 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3jyi h ALA 278 CO 0.04 0.10 -0.47 0.93 0.00 0.00 0.00 179.25 179.84 3jyi h GLU 279 N 0.85 0.03 -0.57 0.00 5.08 -1.24 0.23 114.58 118.96 3jyi h GLU 279 Ca 0.49 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.73 3jyi h GLU 279 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3jyi h GLU 279 CO -0.30 0.50 -0.07 0.82 -1.00 0.00 0.00 179.01 178.96 3jyi h ILE 280 N 0.02 1.27 -0.20 3.13 2.04 -0.88 -2.56 117.51 120.33 3jyi h ILE 280 Ca -0.00 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3jyi h ILE 280 Cb 0.85 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3jyi h ILE 280 CO 0.06 0.44 0.04 1.23 0.00 0.00 0.00 178.15 179.92 3jyi h GLY 281 N 0.96 0.34 -0.33 5.37 0.00 -0.80 -1.63 103.07 106.98 3jyi h GLY 281 Ca 0.15 -0.22 0.23 0.00 0.00 0.00 0.00 47.33 47.49 3jyi h GLY 281 CO 0.04 0.21 0.32 0.00 0.00 0.00 0.00 176.54 177.11 3jyi h ALA 282 N 0.84 1.37 -0.15 3.60 0.00 -0.92 0.42 119.26 124.41 3jyi h ALA 282 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3jyi h ALA 282 Cb 0.29 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3jyi h ALA 282 CO 0.00 -0.42 -0.06 0.77 0.00 0.00 0.00 179.25 179.54 3jyi h SER 283 N 0.30 0.32 -0.87 0.00 0.02 -1.24 -0.79 113.55 111.29 3jyi h SER 283 Ca 0.56 -0.40 0.14 0.00 -0.84 0.00 0.00 61.79 61.24 3jyi h SER 283 Cb 1.10 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.47 3jyi h SER 283 CO -0.59 0.65 0.48 0.25 -1.14 0.00 0.00 176.83 176.48 3jyi h LEU 284 N -0.01 0.62 0.06 5.07 5.85 -0.39 -0.17 115.31 126.34 3jyi h LEU 284 Ca 0.04 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3jyi h LEU 284 Cb 0.52 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3jyi h LEU 284 CO 0.02 0.29 -0.03 0.40 -0.34 0.00 0.00 178.44 178.78 3jyi h ILE 285 N 0.71 1.10 -1.01 4.05 2.04 -0.91 -2.55 117.51 120.93 3jyi h ILE 285 Ca 0.46 -1.58 0.27 0.00 1.00 0.00 0.00 64.86 65.01 3jyi h ILE 285 Cb 0.60 1.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 3jyi h ILE 285 CO -0.33 0.34 0.68 0.50 0.00 0.00 0.00 178.15 179.34 3jyi h LYS 286 N -0.92 0.23 -0.37 2.37 3.64 -1.03 -2.02 116.57 118.48 3jyi h LYS 286 Ca -0.01 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 3jyi h LYS 286 Cb 0.61 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 3jyi h LYS 286 CO 0.01 0.16 -0.01 0.72 -2.27 0.00 0.00 179.45 178.06 3jyi n HIS 287 N -4.44 1.17 0.00 1.91 8.25 -0.09 -5.08 115.22 116.95 3jyi n HIS 287 Ca 0.23 -1.40 0.00 0.00 -0.26 0.00 0.00 57.72 56.28 3jyi n HIS 287 Cb 0.92 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3jyi n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85