#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1j s GLN 59 N 0.00 1.37 -0.02 -0.72 1.11 -1.26 -0.40 119.66 119.74 1f1j s GLN 59 Ca 0.00 -1.24 -0.30 0.00 0.01 0.00 0.00 55.36 53.83 1f1j s GLN 59 Cb 0.00 -1.74 -0.04 0.00 -1.01 0.00 0.00 33.01 30.22 1f1j s GLN 59 CO 0.00 0.42 1.19 0.71 0.01 0.00 0.00 175.29 177.62 1f1j s TYR 60 N -1.04 3.28 -0.03 0.91 2.02 0.26 -4.78 117.35 117.96 1f1j s TYR 60 Ca 0.11 1.26 -0.32 0.00 -0.37 0.00 0.00 57.07 57.75 1f1j s TYR 60 Cb -0.10 -3.41 -0.10 0.00 -0.40 0.00 0.00 41.96 37.95 1f1j s TYR 60 CO 0.05 -1.25 1.94 -1.71 -1.57 0.00 0.00 175.55 173.01 1f1j n ASN 61 N 4.77 3.81 -1.20 2.29 5.15 -1.26 -4.82 115.26 124.00 1f1j n ASN 61 Ca 0.10 0.91 0.09 0.00 -0.60 0.00 0.00 54.58 55.08 1f1j n ASN 61 Cb 0.46 -1.45 0.28 0.00 -0.53 0.00 0.00 39.78 38.55 1f1j n ASN 61 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1f1j n MET 62 N 7.18 3.19 -2.71 1.20 2.81 -1.26 -4.85 117.12 122.68 1f1j n MET 62 Ca 0.22 -2.61 -0.43 0.00 -1.81 0.00 0.00 57.70 53.07 1f1j n MET 62 Cb 0.36 -1.65 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 1f1j n MET 62 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1f1j s ASN 63 N -1.07 6.77 0.02 7.83 3.04 -1.26 -4.88 114.94 125.39 1f1j s ASN 63 Ca 0.42 -2.25 -0.12 0.00 0.04 0.00 0.00 52.86 50.95 1f1j s ASN 63 Cb 0.26 -2.51 0.01 0.00 -1.54 0.00 0.00 41.25 37.47 1f1j s ASN 63 CO 0.23 -1.15 0.25 -0.36 -3.04 0.00 0.00 177.10 173.03 1f1j s PHE 64 N 3.59 -0.06 0.15 0.43 0.08 -1.26 -4.98 117.98 115.93 1f1j s PHE 64 Ca 0.46 -0.04 0.35 0.00 0.12 0.00 0.00 56.93 57.82 1f1j s PHE 64 Cb 0.00 0.04 1.56 0.00 -0.57 0.00 0.00 43.02 44.05 1f1j s PHE 64 CO -0.01 -0.42 2.03 1.05 -0.10 0.00 0.00 175.22 177.77 1f1j h GLU 65 N 3.62 0.00 -5.52 0.44 4.11 -1.87 -3.42 114.58 111.93 1f1j h GLU 65 Ca -0.31 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.61 1f1j h GLU 65 Cb 1.19 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.16 1f1j h GLU 65 CO 0.44 0.00 -0.82 0.15 0.07 0.00 0.00 179.01 178.85 1f1j s LYS 66 N -3.73 1.23 -0.01 1.06 1.02 -0.54 -5.03 119.74 113.73 1f1j s LYS 66 Ca -0.00 -0.65 -0.23 0.00 0.02 0.00 0.00 55.97 55.11 1f1j s LYS 66 Cb 0.10 -1.21 -0.15 0.00 -0.52 0.00 0.00 37.83 36.05 1f1j s LYS 66 CO 0.48 0.32 1.04 1.25 -0.92 0.00 0.00 175.35 177.53 1f1j h LEU 67 N 5.49 -0.44 0.00 3.17 5.85 -1.82 -1.80 115.31 125.76 1f1j h LEU 67 Ca -0.37 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1f1j h LEU 67 Cb 1.16 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1f1j h LEU 67 CO 0.47 -0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.15 1f1j n GLY 68 N -0.11 0.94 3.85 3.75 0.00 -1.26 -0.59 105.19 111.76 1f1j n GLY 68 Ca -0.09 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 1f1j n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f1j s LYS 69 N -1.95 3.99 -0.18 1.61 2.20 -1.25 -1.02 119.74 123.14 1f1j s LYS 69 Ca 0.00 0.80 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1f1j s LYS 69 Cb 0.00 -2.29 0.06 0.00 -1.51 0.00 0.00 37.83 34.09 1f1j s LYS 69 CO 0.00 -0.03 0.07 0.00 -0.36 0.00 0.00 175.35 175.02 1f1j s ILE 71 N 2.03 5.19 -0.29 0.00 1.01 -0.59 -1.65 121.20 126.90 1f1j s ILE 71 Ca 0.01 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 1f1j s ILE 71 Cb -0.16 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1f1j s ILE 71 CO -0.08 0.20 0.01 -0.63 0.00 0.00 0.00 174.94 174.44 1f1j s ILE 72 N 1.76 3.28 -0.42 2.92 1.01 -0.78 -0.45 121.20 128.54 1f1j s ILE 72 Ca 0.16 -1.09 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 1f1j s ILE 72 Cb -0.15 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.56 1f1j s ILE 72 CO 0.09 0.02 0.49 -0.63 0.00 0.00 0.00 174.94 174.90 1f1j s ILE 73 N 1.35 5.02 -0.68 2.92 1.01 -0.22 -0.55 121.20 130.05 1f1j s ILE 73 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1f1j s ILE 73 Cb -0.18 -4.06 0.18 0.00 0.01 0.00 0.00 42.46 38.40 1f1j s ILE 73 CO -0.01 -0.43 0.53 0.21 0.00 0.00 0.00 174.94 175.24 1f1j s ASN 74 N 1.85 5.70 -0.51 3.58 2.47 0.38 -1.38 114.94 127.03 1f1j s ASN 74 Ca 0.15 -2.76 -0.21 0.00 0.42 0.00 0.00 52.86 50.46 1f1j s ASN 74 Cb -0.16 -1.96 0.05 0.00 -1.45 0.00 0.00 41.25 37.72 1f1j s ASN 74 CO 0.15 -0.44 0.73 0.20 -3.72 0.00 0.00 177.10 174.01 1f1j s ASN 75 N 1.21 6.27 -0.16 -4.21 -0.87 -0.49 -2.10 114.94 114.59 1f1j s ASN 75 Ca 0.17 -0.66 0.05 0.00 -1.57 0.00 0.00 52.86 50.85 1f1j s ASN 75 Cb -0.18 -2.34 -0.13 0.00 -0.02 0.00 0.00 41.25 38.58 1f1j s ASN 75 CO -0.05 -0.98 -0.08 1.17 -2.57 0.00 0.00 177.10 174.59 1f1j n LYS 76 N 6.59 0.96 -4.62 -0.60 4.81 -1.26 -4.49 118.16 119.55 1f1j n LYS 76 Ca -0.03 0.06 -0.33 0.00 -0.87 0.00 0.00 58.31 57.14 1f1j n LYS 76 Cb 0.46 -1.35 -0.15 0.00 0.02 0.00 0.00 35.03 34.02 1f1j n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1f1j s ASN 77 N -5.28 3.71 0.23 3.14 0.01 -1.26 -1.56 114.94 113.93 1f1j s ASN 77 Ca -0.17 -0.44 0.09 0.00 -0.71 0.00 0.00 52.86 51.63 1f1j s ASN 77 Cb 0.05 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.10 1f1j s ASN 77 CO 0.46 0.11 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.76 1f1j s PHE 78 N 0.69 2.68 0.32 2.20 0.40 -1.26 -4.75 117.98 118.25 1f1j s PHE 78 Ca -0.07 -0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 1f1j s PHE 78 Cb -0.16 -1.23 -0.10 0.00 0.51 0.00 0.00 43.02 42.05 1f1j s PHE 78 CO 0.02 0.59 1.24 -0.51 0.70 0.00 0.00 175.22 177.25 1f1j s ASP 79 N -3.36 6.93 0.61 1.36 1.01 0.80 -4.88 116.67 119.13 1f1j s ASP 79 Ca 0.29 2.55 0.41 0.00 0.71 0.00 0.00 52.55 56.51 1f1j s ASP 79 Cb -0.07 -2.64 2.17 0.00 1.01 0.00 0.00 42.92 43.39 1f1j s ASP 79 CO 0.18 -0.41 2.25 0.11 0.21 0.00 0.00 175.17 177.51 1f1j h LYS 80 N 3.50 0.00 0.00 8.23 1.79 -1.91 -0.29 116.57 127.89 1f1j h LYS 80 Ca -0.48 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.92 1f1j h LYS 80 Cb 1.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1f1j h LYS 80 CO 0.66 0.00 -0.32 -0.24 -1.08 0.00 0.00 179.45 178.46 1f1j h VAL 81 N 0.00 1.05 0.09 0.50 3.04 -1.93 -1.99 116.25 117.01 1f1j h VAL 81 Ca 0.00 -1.18 -0.26 0.00 -1.01 0.00 0.00 66.70 64.25 1f1j h VAL 81 Cb 0.06 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1f1j h VAL 81 CO 0.00 0.32 -1.15 0.71 -1.01 0.00 0.00 177.57 176.43 1f1j h THR 82 N 0.00 1.50 -1.34 3.17 1.35 -1.35 -3.48 112.91 112.77 1f1j h THR 82 Ca -0.00 -2.96 -0.16 0.00 -0.55 0.00 0.00 66.41 62.74 1f1j h THR 82 Cb 0.64 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1f1j h THR 82 CO 0.04 0.87 -0.21 0.61 -0.25 0.00 0.00 175.52 176.58 1f1j n GLY 83 N 1.38 0.09 3.81 5.82 0.00 -0.75 -5.02 105.19 110.52 1f1j n GLY 83 Ca -0.07 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1f1j n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f1j s MET 84 N -4.53 3.42 0.61 1.61 -1.94 -1.26 -5.09 119.30 112.11 1f1j s MET 84 Ca 0.03 -0.21 -0.11 0.00 -1.71 0.00 0.00 55.69 53.68 1f1j s MET 84 Cb -0.01 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.67 1f1j s MET 84 CO 0.03 0.70 1.03 0.20 -0.01 0.00 0.00 175.02 176.97 1f1j s GLY 85 N -0.83 1.70 0.14 -0.03 0.00 -1.26 -4.42 107.32 102.61 1f1j s GLY 85 Ca 0.13 -0.06 -0.31 0.00 0.00 0.00 0.00 44.72 44.48 1f1j s GLY 85 CO 0.03 0.21 1.69 0.14 0.00 0.00 0.00 173.10 175.17 1f1j s VAL 86 N -3.13 2.60 -1.04 1.40 1.01 -1.26 -4.76 120.40 115.21 1f1j s VAL 86 Ca 0.55 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.61 1f1j s VAL 86 Cb -0.11 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 33.21 1f1j s VAL 86 CO 0.52 0.01 1.33 -0.13 0.00 0.00 0.00 175.10 176.83 1f1j s ARG 87 N 2.00 3.72 0.36 2.72 0.52 -0.60 -5.00 118.95 122.66 1f1j s ARG 87 Ca 0.75 -1.73 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 1f1j s ARG 87 Cb -0.44 -5.13 -0.09 0.00 0.52 0.00 0.00 34.95 29.80 1f1j s ARG 87 CO 0.33 -1.95 1.25 -0.80 0.02 0.00 0.00 175.30 174.16 1f1j s ASN 88 N 3.95 6.68 0.00 0.23 0.01 -1.26 -2.63 114.94 121.92 1f1j s ASN 88 Ca 0.40 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 55.12 1f1j s ASN 88 Cb -0.02 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1f1j s ASN 88 CO -0.06 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 175.55 1f1j n GLY 89 N 0.78 1.42 0.21 0.66 0.00 -1.03 -4.07 105.19 103.17 1f1j n GLY 89 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1f1j n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1j h THR 90 N 0.00 0.87 -0.15 2.61 1.03 -1.81 -2.52 112.91 112.93 1f1j h THR 90 Ca 0.00 -1.16 -0.16 0.00 -0.01 0.00 0.00 66.41 65.08 1f1j h THR 90 Cb 0.00 1.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 1f1j h THR 90 CO 0.00 0.29 -0.58 0.44 -0.01 0.00 0.00 175.52 175.66 1f1j h ASP 91 N 0.00 0.55 -0.39 0.00 3.32 -1.92 -1.56 116.42 116.43 1f1j h ASP 91 Ca -0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1f1j h ASP 91 Cb 0.67 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1f1j h ASP 91 CO 0.04 1.00 0.18 0.11 -1.72 0.00 0.00 179.24 178.85 1f1j h LYS 92 N 0.37 0.56 0.23 3.56 1.57 -1.86 -0.54 116.57 120.45 1f1j h LYS 92 Ca 0.00 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1f1j h LYS 92 Cb 1.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1f1j h LYS 92 CO 0.10 0.50 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.76 1f1j h ASP 93 N 0.48 -0.77 -0.46 0.86 3.32 -1.28 -1.02 116.42 117.55 1f1j h ASP 93 Ca 0.13 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.34 1f1j h ASP 93 Cb 0.13 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 1f1j h ASP 93 CO -0.02 -0.39 0.04 0.00 -1.72 0.00 0.00 179.24 177.15 1f1j h ALA 94 N 0.07 0.47 -0.64 3.45 0.00 -1.11 0.36 119.26 121.86 1f1j h ALA 94 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1f1j h ALA 94 Cb 0.54 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1f1j h ALA 94 CO -0.09 -0.35 0.32 1.49 0.00 0.00 0.00 179.25 180.61 1f1j h GLU 95 N 0.16 0.92 0.17 0.00 4.81 -0.82 0.30 114.58 120.12 1f1j h GLU 95 Ca 0.23 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1f1j h GLU 95 Cb 0.32 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1f1j h GLU 95 CO -0.34 0.72 -0.08 0.00 -0.73 0.00 0.00 179.01 178.58 1f1j h ALA 96 N 1.15 -0.23 -0.65 2.92 0.00 -0.37 -0.96 119.26 121.12 1f1j h ALA 96 Ca 0.22 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1f1j h ALA 96 Cb 0.09 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1f1j h ALA 96 CO -0.03 -0.56 0.43 -0.07 0.00 0.00 0.00 179.25 179.02 1f1j h LEU 97 N -0.37 0.56 -0.23 0.00 3.38 -0.12 -0.55 115.31 117.98 1f1j h LEU 97 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1f1j h LEU 97 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1f1j h LEU 97 CO 0.04 0.36 0.10 0.15 0.09 0.00 0.00 178.44 179.18 1f1j h PHE 98 N 0.64 0.35 -0.58 1.13 3.57 0.10 -1.52 116.94 120.63 1f1j h PHE 98 Ca 0.28 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1f1j h PHE 98 Cb 0.28 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1f1j h PHE 98 CO -0.00 0.36 0.18 0.87 -2.23 0.00 0.00 178.31 177.49 1f1j h LYS 99 N 0.23 0.91 0.82 1.11 1.57 0.05 -2.19 116.57 119.06 1f1j h LYS 99 Ca 0.08 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1f1j h LYS 99 Cb 0.16 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1f1j h LYS 99 CO -0.01 0.82 -0.39 0.00 -0.57 0.00 0.00 179.45 179.30 1f1j h PHE 101 N -1.23 0.00 -0.11 0.00 -1.00 -1.36 0.11 116.94 113.36 1f1j h PHE 101 Ca -0.11 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 1f1j h PHE 101 Cb 0.84 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 1f1j h PHE 101 CO 0.01 0.00 -0.06 -0.09 -1.61 0.00 0.00 178.31 176.56 1f1j h ARG 102 N 0.00 0.23 -0.68 1.51 9.65 -1.29 -0.84 114.38 122.97 1f1j h ARG 102 Ca 0.01 -0.11 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1f1j h ARG 102 Cb 0.04 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 1f1j h ARG 102 CO -0.00 0.60 0.34 0.77 2.80 0.00 0.00 179.97 184.48 1f1j h SER 103 N -0.14 0.46 0.05 -3.80 0.02 0.57 0.66 113.55 111.37 1f1j h SER 103 Ca 0.02 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1f1j h SER 103 Cb 0.53 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1f1j h SER 103 CO 0.02 0.27 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.90 1f1j h LEU 104 N 0.60 0.00 0.00 5.07 3.38 -0.56 -3.46 115.31 120.34 1f1j h LEU 104 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1f1j h LEU 104 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1f1j h LEU 104 CO -0.25 0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.91 1f1j n GLY 105 N -1.21 1.26 3.86 0.83 0.00 0.23 -4.99 105.19 105.17 1f1j n GLY 105 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1f1j n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f1j s PHE 106 N -2.00 3.44 -0.70 1.61 0.08 -0.40 -4.05 117.98 115.96 1f1j s PHE 106 Ca 0.00 1.27 -0.17 0.00 0.12 0.00 0.00 56.93 58.15 1f1j s PHE 106 Cb 0.00 -2.62 0.15 0.00 -0.57 0.00 0.00 43.02 39.98 1f1j s PHE 106 CO 0.00 -0.19 0.75 -0.51 -0.10 0.00 0.00 175.22 175.16 1f1j s ASP 107 N -2.98 6.43 0.03 1.36 1.01 -0.19 -4.38 116.67 117.95 1f1j s ASP 107 Ca 0.55 -1.99 -0.11 0.00 0.71 0.00 0.00 52.55 51.71 1f1j s ASP 107 Cb -0.10 -2.27 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 1f1j s ASP 107 CO 0.29 -0.89 0.38 0.54 0.21 0.00 0.00 175.17 175.70 1f1j s VAL 108 N 1.67 5.10 -0.06 -1.27 0.11 -1.26 -1.45 120.40 123.25 1f1j s VAL 108 Ca 0.15 0.58 -0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1f1j s VAL 108 Cb -0.18 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 1f1j s VAL 108 CO -0.01 0.43 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.55 1f1j s ILE 109 N -1.24 0.37 -0.24 7.04 1.01 -0.66 -4.97 121.20 122.52 1f1j s ILE 109 Ca 0.28 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 1f1j s ILE 109 Cb -0.15 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1f1j s ILE 109 CO 0.15 0.23 0.31 -0.69 0.00 0.00 0.00 174.94 174.94 1f1j s VAL 110 N 1.52 5.25 -0.23 2.92 1.01 -1.26 -1.86 120.40 127.74 1f1j s VAL 110 Ca -0.02 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1f1j s VAL 110 Cb -0.13 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1f1j s VAL 110 CO -0.03 0.25 0.00 -0.31 0.00 0.00 0.00 175.10 175.02 1f1j s TYR 111 N 1.47 3.01 0.34 5.22 2.02 0.28 -4.98 117.35 124.72 1f1j s TYR 111 Ca 0.14 -0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 1f1j s TYR 111 Cb -0.15 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1f1j s TYR 111 CO 0.08 -0.47 0.58 -0.80 -1.57 0.00 0.00 175.55 173.37 1f1j s ASN 112 N 1.53 6.34 -0.68 2.29 0.01 -1.26 -0.47 114.94 122.70 1f1j s ASN 112 Ca 0.06 0.61 -0.04 0.00 -0.71 0.00 0.00 52.86 52.77 1f1j s ASN 112 Cb -0.15 -2.10 0.04 0.00 0.41 0.00 0.00 41.25 39.46 1f1j s ASN 112 CO -0.00 -0.30 0.11 0.47 -1.51 0.00 0.00 177.10 175.87 1f1j n ASP 113 N -1.54 -0.13 -4.59 -1.22 8.00 -0.89 -4.88 116.55 111.30 1f1j n ASP 113 Ca -0.03 -0.50 -0.29 0.00 0.71 0.00 0.00 54.79 54.67 1f1j n ASP 113 Cb 0.55 -0.64 0.21 0.00 -0.02 0.00 0.00 41.12 41.22 1f1j n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1j s SER 115 N -2.75 4.47 0.31 0.00 1.04 -1.26 0.01 113.70 115.53 1f1j s SER 115 Ca 0.67 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 56.42 1f1j s SER 115 Cb -0.23 -0.74 0.82 0.00 0.10 0.00 0.00 66.02 65.97 1f1j s SER 115 CO 0.61 -0.11 1.71 0.00 0.98 0.00 0.00 173.24 176.43 1f1j h ALA 117 N 1.73 0.47 -0.37 0.00 0.00 -1.98 -0.38 119.26 118.72 1f1j h ALA 117 Ca 0.61 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1f1j h ALA 117 Cb 1.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1f1j h ALA 117 CO -0.51 0.46 0.17 -0.22 0.00 0.00 0.00 179.25 179.15 1f1j h LYS 118 N 0.51 0.34 0.12 0.00 1.63 -1.30 0.24 116.57 118.10 1f1j h LYS 118 Ca 0.06 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1f1j h LYS 118 Cb 0.82 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1f1j h LYS 118 CO 0.07 0.22 -0.06 0.52 -3.45 0.00 0.00 179.45 176.75 1f1j h MET 119 N 0.35 -0.15 -0.49 1.90 2.86 -0.71 0.26 114.93 118.94 1f1j h MET 119 Ca 0.16 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1f1j h MET 119 Cb 0.09 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1f1j h MET 119 CO -0.12 -0.10 0.32 1.96 1.06 0.00 0.00 176.91 180.02 1f1j h GLN 120 N -0.16 0.65 -0.03 1.72 1.08 -0.66 -1.35 115.11 116.37 1f1j h GLN 120 Ca -0.02 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1f1j h GLN 120 Cb 0.12 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1f1j h GLN 120 CO 0.03 0.44 -0.05 0.22 -0.95 0.00 0.00 178.83 178.51 1f1j h ASP 121 N 0.67 0.10 -0.76 1.46 3.58 0.17 0.11 116.42 121.74 1f1j h ASP 121 Ca 0.18 -0.54 0.17 0.00 0.42 0.00 0.00 57.03 57.25 1f1j h ASP 121 Cb -0.07 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 40.84 1f1j h ASP 121 CO -0.04 0.62 0.23 -0.07 -2.88 0.00 0.00 179.24 177.11 1f1j h LEU 122 N -0.42 0.11 0.06 2.28 4.07 -0.08 0.36 115.31 121.69 1f1j h LEU 122 Ca 0.00 0.14 -0.28 0.00 0.08 0.00 0.00 57.88 57.82 1f1j h LEU 122 Cb 0.60 0.17 0.02 0.00 1.08 0.00 0.00 40.66 42.53 1f1j h LEU 122 CO 0.01 -0.00 -1.17 -0.07 -1.08 0.00 0.00 178.44 176.12 1f1j h LEU 123 N 0.32 0.79 -0.33 1.67 4.07 -1.22 -1.34 115.31 119.28 1f1j h LEU 123 Ca 0.44 -0.71 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1f1j h LEU 123 Cb 0.74 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1f1j h LEU 123 CO -0.49 1.52 0.13 0.50 -1.08 0.00 0.00 178.44 179.02 1f1j h LYS 124 N 0.27 0.49 0.15 1.13 3.64 0.00 -0.76 116.57 121.49 1f1j h LYS 124 Ca -0.16 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1f1j h LYS 124 Cb 1.84 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1f1j h LYS 124 CO 0.22 0.49 -0.07 0.87 -2.27 0.00 0.00 179.45 178.69 1f1j h LYS 125 N 0.38 -0.20 -0.85 1.90 1.79 -0.40 -2.39 116.57 116.80 1f1j h LYS 125 Ca 0.11 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.71 1f1j h LYS 125 Cb 0.18 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.80 1f1j h LYS 125 CO -0.01 0.02 0.47 0.00 -1.08 0.00 0.00 179.45 178.85 1f1j h ALA 126 N 0.42 1.25 0.00 3.86 0.00 -1.13 0.43 119.26 124.09 1f1j h ALA 126 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1f1j h ALA 126 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1f1j h ALA 126 CO 0.03 0.02 -0.04 0.66 0.00 0.00 0.00 179.25 179.93 1f1j h SER 127 N 0.73 0.00 0.59 0.00 4.64 -0.98 -2.16 113.55 116.37 1f1j h SER 127 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1f1j h SER 127 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1f1j h SER 127 CO -0.30 0.04 -0.28 -0.62 -0.87 0.00 0.00 176.83 174.79 1f1j n GLU 128 N -3.25 0.18 -1.20 4.77 1.02 0.15 -4.75 120.64 117.56 1f1j n GLU 128 Ca -0.01 -0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 1f1j n GLU 128 Cb 0.21 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.35 1f1j n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1f1j s GLU 129 N -2.88 -0.77 -0.53 3.49 2.02 -0.81 -4.97 118.70 114.24 1f1j s GLU 129 Ca 0.16 -0.03 -0.17 0.00 0.02 0.00 0.00 54.97 54.95 1f1j s GLU 129 Cb 0.18 -1.65 0.10 0.00 0.10 0.00 0.00 34.13 32.86 1f1j s GLU 129 CO 0.60 -3.42 0.56 0.34 0.02 0.00 0.00 175.26 173.36 1f1j s ASP 130 N -3.95 6.18 -0.09 -0.19 2.15 -1.26 -4.89 116.67 114.62 1f1j s ASP 130 Ca 0.70 -1.42 0.10 0.00 0.43 0.00 0.00 52.55 52.37 1f1j s ASP 130 Cb -0.10 -2.25 0.45 0.00 -0.30 0.00 0.00 42.92 40.72 1f1j s ASP 130 CO 0.56 -0.89 1.26 1.41 -0.17 0.00 0.00 175.17 177.33 1f1j n HIS 131 N 5.73 1.00 -0.14 -5.34 8.25 -1.26 -4.38 115.22 119.08 1f1j n HIS 131 Ca -0.11 -0.38 0.06 0.00 -0.26 0.00 0.00 57.72 57.03 1f1j n HIS 131 Cb 0.43 -0.23 0.37 0.00 1.12 0.00 0.00 29.99 31.68 1f1j n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1f1j h THR 132 N 2.39 1.04 -0.46 1.59 2.02 -1.91 -1.81 112.91 115.78 1f1j h THR 132 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1f1j h THR 132 Cb 1.10 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1f1j h THR 132 CO 0.19 0.13 0.00 0.59 0.37 0.00 0.00 175.52 176.80 1f1j n ASN 133 N -4.47 4.13 -4.28 4.18 4.13 -1.26 -4.92 115.26 112.77 1f1j n ASN 133 Ca 0.09 -2.52 -0.28 0.00 1.68 0.00 0.00 54.58 53.55 1f1j n ASN 133 Cb 0.19 -0.57 -0.15 0.00 -1.54 0.00 0.00 39.78 37.71 1f1j n ASN 133 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f1j s ALA 134 N -2.05 1.93 0.11 5.41 0.00 -0.68 -1.47 121.76 125.00 1f1j s ALA 134 Ca 0.39 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1f1j s ALA 134 Cb 0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 23.12 22.84 1f1j s ALA 134 CO 0.15 0.45 1.29 0.00 0.00 0.00 0.00 175.76 177.65 1f1j h ALA 135 N 5.02 0.30 -2.49 0.00 0.00 -0.11 -3.48 119.26 118.50 1f1j h ALA 135 Ca -0.43 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1f1j h ALA 135 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1f1j h ALA 135 CO 0.45 0.71 0.00 0.00 0.00 0.00 0.00 179.25 180.41 1f1j s PHE 137 N -5.67 -0.17 0.01 0.00 5.36 -1.00 -3.96 117.98 112.55 1f1j s PHE 137 Ca 0.00 0.44 0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1f1j s PHE 137 Cb 0.00 0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1f1j s PHE 137 CO 0.00 -0.10 -0.13 0.00 -1.46 0.00 0.00 175.22 173.52 1f1j s ALA 138 N 0.36 1.09 -0.03 11.12 0.00 -0.25 -0.67 121.76 133.38 1f1j s ALA 138 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1f1j s ALA 138 Cb -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1f1j s ALA 138 CO -0.01 0.24 0.05 0.00 0.00 0.00 0.00 175.76 176.04 1f1j s ILE 140 N 1.31 2.66 -0.31 0.00 1.01 0.41 -1.28 121.20 124.99 1f1j s ILE 140 Ca -0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1f1j s ILE 140 Cb -0.13 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1f1j s ILE 140 CO -0.03 0.52 0.06 -0.76 0.00 0.00 0.00 174.94 174.73 1f1j s LEU 141 N 0.73 3.97 -0.28 2.97 1.43 -0.13 -1.06 118.68 126.31 1f1j s LEU 141 Ca -0.07 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.00 1f1j s LEU 141 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1f1j s LEU 141 CO 0.01 -0.25 0.06 -0.76 0.23 0.00 0.00 176.35 175.64 1f1j s LEU 142 N 1.41 3.68 0.00 1.79 1.43 -0.48 -0.79 118.68 125.72 1f1j s LEU 142 Ca -0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1f1j s LEU 142 Cb -0.18 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1f1j s LEU 142 CO 0.01 -0.16 0.00 -0.24 0.23 0.00 0.00 176.35 176.20 1f1j n SER 143 N 4.85 0.00 -4.94 2.29 2.88 -0.50 -1.39 113.62 116.81 1f1j n SER 143 Ca -0.15 -0.94 -0.25 0.00 -1.33 0.00 0.00 58.87 56.20 1f1j n SER 143 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 1f1j n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1f1j s HIS 144 N -2.98 3.11 0.01 0.66 3.76 -1.26 -4.04 115.29 114.56 1f1j s HIS 144 Ca 0.00 0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 55.02 1f1j s HIS 144 Cb 0.00 -2.74 0.10 0.00 1.11 0.00 0.00 32.58 31.05 1f1j s HIS 144 CO 0.00 -0.85 1.08 0.20 -0.85 0.00 0.00 174.74 174.32 1f1j s GLY 145 N -4.35 -0.34 0.38 -2.22 0.00 -1.26 -1.34 107.32 98.19 1f1j s GLY 145 Ca 0.54 0.74 0.04 0.00 0.00 0.00 0.00 44.72 46.05 1f1j s GLY 145 CO 0.42 0.20 0.17 -0.54 0.00 0.00 0.00 173.10 173.35 1f1j s GLU 146 N -2.86 1.86 -0.03 2.90 2.02 -0.32 -4.04 118.70 118.22 1f1j s GLU 146 Ca 0.11 -2.11 -0.32 0.00 0.02 0.00 0.00 54.97 52.66 1f1j s GLU 146 Cb 0.00 -0.35 -0.10 0.00 0.10 0.00 0.00 34.13 33.78 1f1j s GLU 146 CO -0.03 -0.52 1.94 -1.91 0.02 0.00 0.00 175.26 174.76 1f1j n GLU 147 N -0.81 2.50 -0.95 1.61 4.07 -1.08 -1.31 120.64 124.67 1f1j n GLU 147 Ca -0.02 0.92 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 1f1j n GLU 147 Cb 0.64 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 1f1j n GLU 147 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1f1j n ASN 148 N 7.17 -2.44 -3.88 4.31 5.03 -1.26 -4.99 115.26 119.20 1f1j n ASN 148 Ca 0.22 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.55 1f1j n ASN 148 Cb 0.35 -1.15 -0.12 0.00 -1.02 0.00 0.00 39.78 37.85 1f1j n ASN 148 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1f1j s VAL 149 N -2.23 0.05 0.26 2.41 0.11 -0.43 -2.31 120.40 118.27 1f1j s VAL 149 Ca 0.00 -0.43 0.09 0.00 -2.93 0.00 0.00 61.98 58.71 1f1j s VAL 149 Cb 0.00 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1f1j s VAL 149 CO 0.00 -0.23 0.05 0.27 -3.33 0.00 0.00 175.10 171.86 1f1j s ILE 150 N -0.75 3.73 -0.21 7.04 -4.36 -0.09 -1.17 121.20 125.39 1f1j s ILE 150 Ca -0.08 -1.76 -0.13 0.00 -0.26 0.00 0.00 60.65 58.42 1f1j s ILE 150 Cb -0.05 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 40.62 1f1j s ILE 150 CO 0.00 -0.36 0.26 -0.31 0.24 0.00 0.00 174.94 174.77 1f1j s TYR 151 N -2.25 3.38 0.59 1.37 1.51 -0.45 0.12 117.35 121.61 1f1j s TYR 151 Ca 0.32 0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 56.75 1f1j s TYR 151 Cb -0.07 -2.35 0.13 0.00 -0.11 0.00 0.00 41.96 39.56 1f1j s TYR 151 CO 0.21 0.11 0.80 0.41 -1.11 0.00 0.00 175.55 175.97 1f1j n GLY 152 N 3.88 -0.47 0.22 0.71 0.00 0.42 -4.59 105.19 105.36 1f1j n GLY 152 Ca -0.12 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.16 1f1j n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1f1j h LYS 153 N 0.00 0.00 0.00 1.61 2.10 -0.66 -3.23 116.57 116.39 1f1j h LYS 153 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1f1j h LYS 153 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1f1j h LYS 153 CO 0.22 0.22 -1.20 -0.40 -2.00 0.00 0.00 179.45 176.29 1f1j n ASP 154 N -3.39 0.74 0.00 7.07 5.75 -1.26 -0.14 116.55 125.32 1f1j n ASP 154 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 1f1j n ASP 154 Cb 0.43 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.70 1f1j n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f1j n GLY 155 N 1.44 -0.73 3.22 6.12 0.00 -1.22 -4.75 105.19 109.26 1f1j n GLY 155 Ca 0.02 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1f1j n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f1j s VAL 156 N -4.00 1.58 0.01 1.61 -7.23 -1.26 0.16 120.40 111.26 1f1j s VAL 156 Ca 0.00 -0.98 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 1f1j s VAL 156 Cb 0.00 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1f1j s VAL 156 CO 0.00 0.34 -0.15 0.28 -0.31 0.00 0.00 175.10 175.26 1f1j s THR 157 N -0.60 1.15 0.04 5.32 -1.32 0.12 -4.89 115.64 115.46 1f1j s THR 157 Ca 0.07 -0.79 -0.30 0.00 -1.21 0.00 0.00 61.69 59.46 1f1j s THR 157 Cb -0.08 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.84 1f1j s THR 157 CO 0.00 0.20 1.63 -2.84 -2.21 0.00 0.00 174.62 171.40 1f1j s PRO 158 N -0.68 4.21 0.48 7.08 0.02 -1.26 -0.92 135.00 143.93 1f1j s PRO 158 Ca 0.04 2.27 0.18 0.00 0.02 0.00 0.00 61.00 63.51 1f1j s PRO 158 Cb -0.07 -3.66 1.18 0.00 0.02 0.00 0.00 34.50 31.97 1f1j s PRO 158 CO 0.00 -0.73 2.01 0.82 -0.33 0.00 0.00 177.00 178.77 1f1j h ILE 159 N 4.95 0.86 -0.48 2.83 2.04 -1.81 0.10 117.51 126.01 1f1j h ILE 159 Ca -0.42 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1f1j h ILE 159 Cb 1.20 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1f1j h ILE 159 CO 0.93 0.04 0.32 0.50 0.00 0.00 0.00 178.15 179.94 1f1j h LYS 160 N 0.22 0.59 -0.23 2.37 3.11 -1.91 -0.87 116.57 119.85 1f1j h LYS 160 Ca 0.23 -0.04 -0.19 0.00 -2.81 0.00 0.00 60.65 57.84 1f1j h LYS 160 Cb 0.60 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1f1j h LYS 160 CO -0.04 0.39 -0.61 -0.44 -2.81 0.00 0.00 179.45 175.94 1f1j h ASP 161 N 0.61 0.94 -0.21 4.20 3.32 -1.19 -1.21 116.42 122.88 1f1j h ASP 161 Ca 0.18 -0.57 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 1f1j h ASP 161 Cb -0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1f1j h ASP 161 CO -0.04 1.34 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.65 1f1j h LEU 162 N 0.58 0.56 0.04 1.55 4.07 -1.11 -3.24 115.31 117.77 1f1j h LEU 162 Ca -0.01 -0.14 -0.28 0.00 0.08 0.00 0.00 57.88 57.53 1f1j h LEU 162 Cb 1.23 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1f1j h LEU 162 CO 0.13 0.70 -1.48 0.71 -1.08 0.00 0.00 178.44 177.42 1f1j h THR 163 N 0.54 1.15 -0.47 0.22 1.35 -1.17 -3.37 112.91 111.16 1f1j h THR 163 Ca 0.10 -2.90 0.14 0.00 -0.55 0.00 0.00 66.41 63.19 1f1j h THR 163 Cb 0.49 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.52 1f1j h THR 163 CO 0.03 0.73 0.41 0.00 -0.25 0.00 0.00 175.52 176.43 1f1j h ALA 164 N 0.82 2.29 -0.41 6.62 0.00 -1.23 -0.92 119.26 126.42 1f1j h ALA 164 Ca -0.21 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1f1j h ALA 164 Cb 1.95 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1f1j h ALA 164 CO 0.11 -0.65 0.31 0.45 0.00 0.00 0.00 179.25 179.47 1f1j h HIS 165 N 0.00 0.00 -0.30 0.00 3.86 -1.73 -1.02 115.15 115.96 1f1j h HIS 165 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1f1j h HIS 165 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1f1j h HIS 165 CO 0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 1f1j n PHE 166 N -4.33 0.38 -1.24 2.45 3.01 -0.35 -4.00 117.46 113.37 1f1j n PHE 166 Ca 0.07 -0.19 -0.35 0.00 1.01 0.00 0.00 57.45 57.98 1f1j n PHE 166 Cb 0.50 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.06 1f1j n PHE 166 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1f1j n ARG 167 N 0.69 0.32 -0.27 -1.08 1.74 -0.39 -4.43 116.66 113.25 1f1j n ARG 167 Ca 0.16 0.16 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 1f1j n ARG 167 Cb 0.40 -2.07 0.37 0.00 -1.02 0.00 0.00 32.46 30.13 1f1j n ARG 167 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1f1j h GLY 168 N -0.48 1.21 2.00 -0.13 0.00 -1.46 0.31 103.07 104.51 1f1j h GLY 168 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1f1j h GLY 168 CO 0.44 0.10 0.00 2.09 0.00 0.00 0.00 176.54 179.18 1f1j n ASP 169 N -4.56 0.76 -0.00 0.19 5.75 -1.26 -3.88 116.55 113.54 1f1j n ASP 169 Ca 0.17 0.60 0.06 0.00 -0.01 0.00 0.00 54.79 55.61 1f1j n ASP 169 Cb 0.45 -0.80 -0.08 0.00 -1.03 0.00 0.00 41.12 39.66 1f1j n ASP 169 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f1j n ARG 170 N -2.25 1.98 -3.17 0.11 1.74 0.88 -4.74 116.66 111.22 1f1j n ARG 170 Ca 0.04 -0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1f1j n ARG 170 Cb 0.37 -1.16 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 1f1j n ARG 170 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1f1j n SER 171 N -1.54 0.14 -0.31 0.55 2.88 -0.06 -4.84 113.62 110.44 1f1j n SER 171 Ca 0.00 -2.75 0.30 0.00 -1.33 0.00 0.00 58.87 55.09 1f1j n SER 171 Cb 0.24 -0.55 0.65 0.00 -0.75 0.00 0.00 64.21 63.81 1f1j n SER 171 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1f1j h LYS 172 N 3.88 0.15 0.00 -1.46 1.79 -1.82 0.13 116.57 119.24 1f1j h LYS 172 Ca 0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1f1j h LYS 172 Cb 0.90 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1f1j h LYS 172 CO 0.46 0.10 0.00 0.25 -1.08 0.00 0.00 179.45 179.18 1f1j n THR 173 N -4.37 0.46 0.29 -0.16 -2.24 -1.26 -2.28 114.28 104.71 1f1j n THR 173 Ca 0.25 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 62.08 1f1j n THR 173 Cb 1.08 -0.69 0.14 0.00 -2.10 0.00 0.00 70.33 68.76 1f1j n THR 173 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1f1j n LEU 174 N -1.87 2.86 -4.77 3.22 4.77 0.01 -4.19 117.00 117.03 1f1j n LEU 174 Ca 0.05 -1.43 -0.40 0.00 -0.03 0.00 0.00 56.01 54.20 1f1j n LEU 174 Cb 0.33 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1f1j n LEU 174 CO 0.25 0.61 0.99 -0.22 -1.33 0.00 0.00 177.39 177.70 1f1j s LEU 175 N -1.24 4.37 -0.53 2.23 2.96 -0.97 -1.83 118.68 123.66 1f1j s LEU 175 Ca 0.27 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 1f1j s LEU 175 Cb 0.16 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1f1j s LEU 175 CO 0.23 -0.65 0.00 -0.62 -1.32 0.00 0.00 176.35 173.99 1f1j n GLU 176 N 0.60 -1.37 -4.47 1.98 1.02 -1.26 -4.96 120.64 112.18 1f1j n GLU 176 Ca 0.01 0.59 -0.29 0.00 -0.02 0.00 0.00 57.16 57.45 1f1j n GLU 176 Cb 0.42 -4.73 -0.13 0.00 -0.02 0.00 0.00 31.44 26.98 1f1j n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1f1j s LYS 177 N -2.09 1.57 0.25 3.49 1.02 -0.76 -4.98 119.74 118.24 1f1j s LYS 177 Ca 0.00 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.43 1f1j s LYS 177 Cb 0.00 -1.97 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 1f1j s LYS 177 CO 0.00 0.47 1.12 -1.25 -0.92 0.00 0.00 175.35 174.77 1f1j s PRO 178 N -1.91 4.60 -0.26 -1.68 0.04 -1.26 -4.82 135.00 129.70 1f1j s PRO 178 Ca 0.14 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1f1j s PRO 178 Cb -0.10 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.28 1f1j s PRO 178 CO 0.06 0.13 -0.08 0.15 0.04 0.00 0.00 177.00 177.30 1f1j s LYS 179 N -1.07 2.45 -0.18 4.56 1.02 0.21 -2.38 119.74 124.33 1f1j s LYS 179 Ca 0.47 -1.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1f1j s LYS 179 Cb -0.32 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1f1j s LYS 179 CO 0.40 -0.53 0.00 -0.51 -0.92 0.00 0.00 175.35 173.79 1f1j s LEU 180 N 1.19 3.39 -0.10 3.17 1.43 0.16 -1.48 118.68 126.43 1f1j s LEU 180 Ca -0.05 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1f1j s LEU 180 Cb -0.19 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1f1j s LEU 180 CO -0.05 0.12 -0.18 -0.36 0.23 0.00 0.00 176.35 176.11 1f1j s PHE 181 N 0.67 2.15 -0.25 0.29 0.40 -0.46 -0.29 117.98 120.50 1f1j s PHE 181 Ca 0.00 -0.97 -0.03 0.00 -0.60 0.00 0.00 56.93 55.33 1f1j s PHE 181 Cb -0.14 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1f1j s PHE 181 CO 0.02 -0.45 -0.03 -0.06 0.70 0.00 0.00 175.22 175.40 1f1j s PHE 182 N 0.74 3.04 -0.27 0.36 0.40 -0.41 -0.44 117.98 121.39 1f1j s PHE 182 Ca -0.11 -1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 54.98 1f1j s PHE 182 Cb -0.16 -2.11 0.04 0.00 0.51 0.00 0.00 43.02 41.30 1f1j s PHE 182 CO 0.02 -0.64 -0.04 0.42 0.70 0.00 0.00 175.22 175.68 1f1j s ILE 183 N 1.41 2.81 -0.47 0.64 1.09 -0.29 -0.95 121.20 125.44 1f1j s ILE 183 Ca 0.03 -1.26 -0.13 0.00 -1.10 0.00 0.00 60.65 58.18 1f1j s ILE 183 Cb -0.16 -2.54 0.09 0.00 -1.06 0.00 0.00 42.46 38.80 1f1j s ILE 183 CO -0.03 0.04 0.38 -1.58 -0.10 0.00 0.00 174.94 173.65 1f1j s GLN 184 N 1.26 2.84 -0.14 2.79 2.00 0.03 -1.43 119.66 127.01 1f1j s GLN 184 Ca -0.03 -1.49 -0.32 0.00 -2.00 0.00 0.00 55.36 51.51 1f1j s GLN 184 Cb -0.18 -4.05 0.13 0.00 0.80 0.00 0.00 33.01 29.70 1f1j s GLN 184 CO -0.03 -1.08 1.10 0.00 -0.50 0.00 0.00 175.29 174.78 1f1j s ALA 185 N 1.55 -1.99 0.77 1.58 0.00 -1.26 -1.41 121.76 121.01 1f1j s ALA 185 Ca 0.04 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1f1j s ALA 185 Cb -0.25 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1f1j s ALA 185 CO 0.04 -0.57 1.11 0.00 0.00 0.00 0.00 175.76 176.34 1f1j n ARG 187 N -3.37 1.03 -3.30 0.00 1.74 0.06 -3.12 116.66 109.71 1f1j n ARG 187 Ca 0.10 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.01 1f1j n ARG 187 Cb 0.53 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 1f1j n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f1j n GLY 188 N -0.34 -0.72 0.52 -0.13 0.00 -1.14 -1.77 105.19 101.61 1f1j n GLY 188 Ca 0.02 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.79 1f1j n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1f1j n THR 189 N 9.00 2.15 -3.13 2.61 -2.24 -1.16 -3.48 114.28 118.03 1f1j n THR 189 Ca 0.00 -2.54 -0.38 0.00 -2.27 0.00 0.00 64.05 58.86 1f1j n THR 189 Cb 0.00 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 1f1j n THR 189 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1f1j s GLU 190 N -3.03 4.35 -0.07 -0.78 2.02 -0.10 -4.79 118.70 116.31 1f1j s GLU 190 Ca 0.37 0.92 0.00 0.00 0.02 0.00 0.00 54.97 56.29 1f1j s GLU 190 Cb 0.33 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1f1j s GLU 190 CO 0.01 0.56 -0.06 -0.51 0.02 0.00 0.00 175.26 175.28 1f1j s LEU 191 N -1.33 3.25 -0.43 1.80 1.43 -1.26 -0.98 118.68 121.15 1f1j s LEU 191 Ca 0.35 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 1f1j s LEU 191 Cb -0.20 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1f1j s LEU 191 CO 0.22 0.36 0.38 -0.62 0.23 0.00 0.00 176.35 176.92 1f1j s ASP 192 N -0.78 6.15 0.49 2.29 -1.08 -1.26 -4.94 116.67 117.53 1f1j s ASP 192 Ca 0.12 -0.92 0.20 0.00 -0.52 0.00 0.00 52.55 51.43 1f1j s ASP 192 Cb -0.11 -2.19 1.22 0.00 -1.46 0.00 0.00 42.92 40.38 1f1j s ASP 192 CO 0.02 -0.55 2.05 0.44 0.52 0.00 0.00 175.17 177.64 1f1j h ASP 193 N 8.70 0.00 -4.15 -0.34 5.19 -1.90 0.30 116.42 124.22 1f1j h ASP 193 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1f1j h ASP 193 Cb 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1f1j h ASP 193 CO 0.79 0.14 0.00 0.61 -3.12 0.00 0.00 179.24 177.66 1f1j n GLY 194 N -0.97 -1.39 3.22 2.75 0.00 -1.26 -4.53 105.19 103.02 1f1j n GLY 194 Ca -0.02 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 1f1j n GLY 194 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1f1j s ILE 195 N -1.87 -0.00 -1.42 -0.61 1.10 -1.26 -5.07 121.20 112.07 1f1j s ILE 195 Ca 0.00 0.02 -0.07 0.00 -0.51 0.00 0.00 60.65 60.08 1f1j s ILE 195 Cb 0.00 -0.48 0.02 0.00 0.15 0.00 0.00 42.46 42.15 1f1j s ILE 195 CO 0.00 0.01 2.68 0.00 -2.11 0.00 0.00 174.94 175.52 1f1j n GLN 196 N 3.10 4.11 0.00 3.50 3.00 -1.26 -5.22 117.38 124.61 1f1j n GLN 196 Ca -0.15 -2.83 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 1f1j n GLN 196 Cb 0.57 -2.68 0.00 0.00 0.00 0.00 0.00 30.24 28.13 1f1j n GLN 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1f1j n LYS 212 N 2.55 0.00 -5.03 -1.09 5.02 -1.26 -5.36 118.16 112.99 1f1j n LYS 212 Ca 0.69 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.66 1f1j n LYS 212 Cb 0.26 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.12 1f1j n LYS 212 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1f1j s ILE 213 N 0.00 2.67 0.52 -0.18 -1.09 -1.26 -5.10 121.20 116.76 1f1j s ILE 213 Ca 0.00 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.34 1f1j s ILE 213 Cb 0.00 -2.02 -0.06 0.00 -1.58 0.00 0.00 42.46 38.80 1f1j s ILE 213 CO 0.00 0.58 1.32 -2.84 -1.23 0.00 0.00 174.94 172.76 1f1j s PRO 214 N -0.48 3.32 0.47 2.79 0.02 -1.26 -4.88 135.00 134.98 1f1j s PRO 214 Ca 0.06 2.14 0.27 0.00 0.02 0.00 0.00 61.00 63.48 1f1j s PRO 214 Cb -0.12 -2.32 1.04 0.00 0.02 0.00 0.00 34.50 33.12 1f1j s PRO 214 CO 0.01 -1.01 1.87 -0.39 -0.33 0.00 0.00 177.00 177.15 1f1j h VAL 215 N 1.60 0.40 -0.02 3.83 -1.51 -1.97 -2.97 116.25 115.61 1f1j h VAL 215 Ca -0.50 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1f1j h VAL 215 Cb 1.29 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1f1j h VAL 215 CO 0.58 0.15 -0.03 -0.62 -1.23 0.00 0.00 177.57 176.42 1f1j n GLU 216 N -3.31 1.64 -1.47 5.19 -0.58 -1.26 -1.28 120.64 119.57 1f1j n GLU 216 Ca 0.00 -1.01 -0.31 0.00 -0.42 0.00 0.00 57.16 55.43 1f1j n GLU 216 Cb 0.39 -1.48 0.07 0.00 -0.57 0.00 0.00 31.44 29.86 1f1j n GLU 216 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1f1j s ALA 217 N -2.06 2.44 -1.43 0.62 0.00 -1.12 -4.26 121.76 115.95 1f1j s ALA 217 Ca 0.35 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1f1j s ALA 217 Cb 0.21 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1f1j s ALA 217 CO 0.35 -1.50 0.00 -0.25 0.00 0.00 0.00 175.76 174.36 1f1j n ASP 218 N -3.32 -4.63 -4.82 0.00 8.00 -0.46 -4.83 116.55 106.49 1f1j n ASP 218 Ca 0.08 0.23 -0.28 0.00 0.71 0.00 0.00 54.79 55.53 1f1j n ASP 218 Cb 0.54 -3.53 -0.05 0.00 -0.02 0.00 0.00 41.12 38.05 1f1j n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1f1j s PHE 219 N -2.60 3.22 -0.11 1.24 0.40 -1.26 -0.62 117.98 118.25 1f1j s PHE 219 Ca 0.00 0.04 -0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1f1j s PHE 219 Cb 0.00 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 42.01 1f1j s PHE 219 CO 0.00 0.52 0.24 -1.17 0.70 0.00 0.00 175.22 175.51 1f1j s LEU 220 N -2.91 0.01 -0.30 -0.37 0.20 -0.55 -0.92 118.68 113.85 1f1j s LEU 220 Ca 0.31 0.52 -0.05 0.00 0.69 0.00 0.00 54.13 55.61 1f1j s LEU 220 Cb -0.11 0.64 0.03 0.00 -0.43 0.00 0.00 46.19 46.32 1f1j s LEU 220 CO 0.24 -0.21 0.04 -0.36 -0.29 0.00 0.00 176.35 175.77 1f1j s PHE 221 N 1.95 3.17 -0.83 5.38 0.08 -0.36 -1.35 117.98 126.02 1f1j s PHE 221 Ca -0.03 -1.34 -0.16 0.00 0.12 0.00 0.00 56.93 55.53 1f1j s PHE 221 Cb -0.11 -2.20 0.19 0.00 -0.57 0.00 0.00 43.02 40.33 1f1j s PHE 221 CO -0.08 -0.68 0.85 0.00 -0.10 0.00 0.00 175.22 175.21 1f1j s ALA 222 N 1.40 3.86 0.45 5.36 0.00 0.41 -1.22 121.76 132.03 1f1j s ALA 222 Ca -0.00 -3.11 -0.17 0.00 0.00 0.00 0.00 51.96 48.68 1f1j s ALA 222 Cb -0.18 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 1f1j s ALA 222 CO 0.01 -2.45 0.92 0.71 0.00 0.00 0.00 175.76 174.94 1f1j s TYR 223 N 0.97 3.40 -0.60 0.00 1.51 0.38 -1.14 117.35 121.86 1f1j s TYR 223 Ca 0.21 1.43 0.25 0.00 -1.01 0.00 0.00 57.07 57.94 1f1j s TYR 223 Cb -0.10 -2.73 0.58 0.00 -0.11 0.00 0.00 41.96 39.59 1f1j s TYR 223 CO -0.08 -0.20 1.66 0.66 -1.11 0.00 0.00 175.55 176.48 1f1j h SER 224 N 1.42 0.00 -3.47 2.29 4.64 -1.51 -2.41 113.55 114.51 1f1j h SER 224 Ca -0.48 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 60.62 1f1j h SER 224 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1f1j h SER 224 CO 0.62 0.01 -0.07 1.07 -0.87 0.00 0.00 176.83 177.59 1f1j n THR 225 N -2.57 0.00 -3.87 2.95 5.66 -1.26 -3.72 114.28 111.47 1f1j n THR 225 Ca 0.05 -1.40 -0.28 0.00 -3.05 0.00 0.00 64.05 59.37 1f1j n THR 225 Cb 0.47 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 70.13 1f1j n THR 225 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1f1j s VAL 226 N -2.68 5.30 0.08 1.08 -7.23 -1.21 -3.92 120.40 111.83 1f1j s VAL 226 Ca 0.23 -0.51 -0.37 0.00 -1.81 0.00 0.00 61.98 59.52 1f1j s VAL 226 Cb -0.01 -3.71 -0.17 0.00 0.56 0.00 0.00 36.38 33.05 1f1j s VAL 226 CO 0.16 -0.05 1.28 -2.65 -0.31 0.00 0.00 175.10 173.54 1f1j n PRO 227 N -0.35 1.00 -0.48 4.82 -0.02 -1.26 -1.15 135.00 137.57 1f1j n PRO 227 Ca -0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1f1j n PRO 227 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1f1j n PRO 227 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f1j n GLY 228 N 2.34 1.00 3.68 -1.23 0.00 -0.73 -4.99 105.19 105.27 1f1j n GLY 228 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1f1j n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f1j s TYR 229 N -3.08 2.80 0.82 1.61 1.51 -0.30 -0.92 117.35 119.80 1f1j s TYR 229 Ca 0.00 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.76 1f1j s TYR 229 Cb 0.00 -1.27 0.09 0.00 -0.11 0.00 0.00 41.96 40.67 1f1j s TYR 229 CO 0.00 0.58 1.11 0.71 -1.11 0.00 0.00 175.55 176.84 1f1j s TYR 230 N -2.16 2.77 -0.03 2.71 2.02 -0.15 -0.76 117.35 121.76 1f1j s TYR 230 Ca 0.31 1.06 0.03 0.00 -0.37 0.00 0.00 57.07 58.09 1f1j s TYR 230 Cb -0.07 -3.20 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1f1j s TYR 230 CO 0.20 -1.91 -0.10 0.45 -1.57 0.00 0.00 175.55 172.62 1f1j s SER 231 N -3.97 1.36 0.06 2.29 0.15 -1.26 -4.82 113.70 107.51 1f1j s SER 231 Ca 0.61 -0.21 -0.06 0.00 0.70 0.00 0.00 55.95 57.00 1f1j s SER 231 Cb -0.14 -0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 63.79 1f1j s SER 231 CO 0.54 0.09 0.31 0.26 1.20 0.00 0.00 173.24 175.63 1f1j s TRP 232 N 0.10 3.54 -0.10 3.44 0.52 -1.26 -4.83 118.94 120.35 1f1j s TRP 232 Ca -0.02 0.55 -0.05 0.00 0.02 0.00 0.00 56.10 56.60 1f1j s TRP 232 Cb -0.08 -1.99 0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1f1j s TRP 232 CO 0.01 0.55 0.23 0.50 0.02 0.00 0.00 176.95 178.25 1f1j s ARG 233 N -2.11 0.19 -0.28 4.98 3.52 -1.26 -1.94 118.95 122.05 1f1j s ARG 233 Ca 0.33 0.48 -0.11 0.00 -0.13 0.00 0.00 55.73 56.30 1f1j s ARG 233 Cb -0.13 -0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.10 1f1j s ARG 233 CO 0.20 -0.15 0.21 0.45 -0.81 0.00 0.00 175.30 175.20 1f1j s SER 234 N 1.15 6.05 0.38 -2.12 0.15 0.01 -4.90 113.70 114.42 1f1j s SER 234 Ca -0.08 0.03 0.22 0.00 0.70 0.00 0.00 55.95 56.82 1f1j s SER 234 Cb -0.10 -2.13 1.33 0.00 -1.71 0.00 0.00 66.02 63.41 1f1j s SER 234 CO -0.07 -0.06 1.60 -0.65 1.20 0.00 0.00 173.24 175.26 1f1j h PRO 235 N 8.32 0.07 0.00 5.44 0.11 -1.84 0.35 132.00 144.45 1f1j h PRO 235 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1f1j h PRO 235 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1f1j h PRO 235 CO 0.56 0.05 -0.84 0.41 -0.21 0.00 0.00 178.00 177.97 1f1j n GLY 236 N -1.33 -1.23 0.00 -0.55 0.00 -1.26 -2.48 105.19 98.33 1f1j n GLY 236 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1f1j n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1j n ARG 237 N -1.85 2.70 0.00 1.61 3.00 -0.25 -5.02 116.66 116.86 1f1j n ARG 237 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 1f1j n ARG 237 Cb 0.41 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 32.12 1f1j n ARG 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1f1j n GLY 238 N 1.65 -2.45 3.79 -0.13 0.00 0.11 -4.76 105.19 103.39 1f1j n GLY 238 Ca 0.00 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1f1j n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1j s SER 239 N -1.13 6.01 0.12 1.61 1.04 -1.26 -0.81 113.70 119.29 1f1j s SER 239 Ca 0.00 2.05 -0.20 0.00 0.48 0.00 0.00 55.95 58.28 1f1j s SER 239 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1f1j s SER 239 CO 0.00 -1.01 1.76 -0.50 0.98 0.00 0.00 173.24 174.46 1f1j h TRP 240 N 1.35 0.14 -0.85 5.02 6.55 -1.77 -0.90 115.95 125.50 1f1j h TRP 240 Ca -0.50 0.01 0.11 0.00 0.95 0.00 0.00 58.89 59.46 1f1j h TRP 240 Cb 1.24 -0.04 -0.06 0.00 -0.86 0.00 0.00 29.16 29.44 1f1j h TRP 240 CO 0.54 0.08 0.55 0.35 -1.05 0.00 0.00 178.44 178.91 1f1j h PHE 241 N 0.17 0.83 0.19 0.49 3.57 -1.89 -0.53 116.94 119.76 1f1j h PHE 241 Ca 0.07 0.02 -0.33 0.00 3.53 0.00 0.00 57.97 61.26 1f1j h PHE 241 Cb 0.02 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.51 1f1j h PHE 241 CO -0.10 0.36 -1.55 0.28 -2.23 0.00 0.00 178.31 175.07 1f1j h VAL 242 N 0.75 1.17 -0.07 1.41 2.07 -1.85 -0.94 116.25 118.79 1f1j h VAL 242 Ca 0.40 -2.71 0.03 0.00 0.82 0.00 0.00 66.70 65.24 1f1j h VAL 242 Cb 0.53 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 1f1j h VAL 242 CO -0.17 0.84 -0.10 1.56 0.02 0.00 0.00 177.57 179.72 1f1j h GLN 243 N 0.11 -0.13 0.64 1.57 4.20 -0.71 -1.28 115.11 119.51 1f1j h GLN 243 Ca -0.27 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1f1j h GLN 243 Cb 2.09 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.89 1f1j h GLN 243 CO 0.21 -0.08 -0.49 0.00 -0.67 0.00 0.00 178.83 177.80 1f1j h ALA 244 N 0.92 -1.17 -0.96 3.87 0.00 -1.17 -2.03 119.26 118.71 1f1j h ALA 244 Ca 0.06 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.95 1f1j h ALA 244 Cb 0.22 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1f1j h ALA 244 CO -0.15 -1.19 0.61 1.25 0.00 0.00 0.00 179.25 179.77 1f1j h LEU 245 N -1.09 0.63 -0.08 0.00 5.85 -1.11 -1.64 115.31 117.87 1f1j h LEU 245 Ca -0.08 0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 1f1j h LEU 245 Cb 0.91 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.90 1f1j h LEU 245 CO 0.02 0.25 -0.80 0.00 -0.34 0.00 0.00 178.44 177.57 1f1j h SER 247 N 0.36 0.70 0.26 0.00 4.64 -0.77 0.07 113.55 118.81 1f1j h SER 247 Ca -0.08 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1f1j h SER 247 Cb 1.45 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1f1j h SER 247 CO 0.16 0.71 -0.12 0.40 -0.87 0.00 0.00 176.83 177.10 1f1j h ILE 248 N 0.65 0.77 -0.94 0.95 1.08 -1.34 -2.35 117.51 116.33 1f1j h ILE 248 Ca 0.16 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1f1j h ILE 248 Cb 0.25 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 1f1j h ILE 248 CO -0.01 0.03 0.62 -0.07 -0.69 0.00 0.00 178.15 178.04 1f1j h LEU 249 N -0.43 1.07 -0.28 1.44 3.38 -1.13 0.45 115.31 119.81 1f1j h LEU 249 Ca -0.04 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1f1j h LEU 249 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1f1j h LEU 249 CO 0.06 0.77 0.11 -0.08 0.09 0.00 0.00 178.44 179.39 1f1j h GLU 250 N 1.26 0.23 0.15 1.13 4.81 -0.78 0.20 114.58 121.58 1f1j h GLU 250 Ca 0.34 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 59.27 1f1j h GLU 250 Cb -0.14 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.20 1f1j h GLU 250 CO -0.08 0.15 -1.33 1.49 -0.73 0.00 0.00 179.01 178.51 1f1j h GLU 251 N 0.24 0.32 0.00 1.92 4.81 -0.93 -3.41 114.58 117.53 1f1j h GLU 251 Ca 0.12 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1f1j h GLU 251 Cb 0.08 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1f1j h GLU 251 CO -0.12 1.25 0.00 0.72 -0.73 0.00 0.00 179.01 180.13 1f1j n HIS 252 N -3.55 0.00 -0.29 0.92 8.25 0.15 -4.80 115.22 115.90 1f1j n HIS 252 Ca -0.11 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.59 1f1j n HIS 252 Cb 1.04 0.00 0.57 0.00 1.12 0.00 0.00 29.99 32.72 1f1j n HIS 252 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1f1j h GLY 253 N 0.00 0.81 0.37 -1.41 0.00 -0.66 0.13 103.07 102.32 1f1j h GLY 253 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1f1j h GLY 253 CO 0.00 -0.07 -0.54 0.28 0.00 0.00 0.00 176.54 176.21 1f1j n LYS 254 N -4.49 0.35 -0.00 4.80 4.01 -1.26 -4.24 118.16 117.32 1f1j n LYS 254 Ca 0.23 -0.24 0.01 0.00 -0.51 0.00 0.00 58.31 57.80 1f1j n LYS 254 Cb 0.91 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.93 1f1j n LYS 254 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1f1j n ASP 255 N -1.12 0.40 -4.50 4.39 5.68 0.30 -4.72 116.55 116.97 1f1j n ASP 255 Ca 0.07 -0.49 -0.27 0.00 -0.50 0.00 0.00 54.79 53.61 1f1j n ASP 255 Cb 0.35 1.00 -0.10 0.00 -1.14 0.00 0.00 41.12 41.23 1f1j n ASP 255 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1f1j s LEU 256 N -2.13 2.71 0.55 -2.12 1.43 -0.29 -5.11 118.68 113.73 1f1j s LEU 256 Ca 0.00 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.20 1f1j s LEU 256 Cb 0.01 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 1f1j s LEU 256 CO 0.04 0.11 1.12 -0.70 0.23 0.00 0.00 176.35 177.16 1f1j s GLU 257 N -2.73 3.34 0.22 1.70 -6.30 -1.26 -4.68 118.70 109.00 1f1j s GLU 257 Ca 0.23 1.55 -0.10 0.00 -2.50 0.00 0.00 54.97 54.15 1f1j s GLU 257 Cb -0.08 -2.01 0.34 0.00 0.00 0.00 0.00 34.13 32.38 1f1j s GLU 257 CO 0.13 -0.85 1.65 0.97 0.02 0.00 0.00 175.26 177.18 1f1j h ILE 258 N 1.10 0.42 -0.56 -3.70 6.09 -1.54 -0.42 117.51 118.90 1f1j h ILE 258 Ca -0.50 -0.03 0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1f1j h ILE 258 Cb 1.26 0.31 -0.03 0.00 0.47 0.00 0.00 36.82 38.83 1f1j h ILE 258 CO 0.57 0.02 0.37 0.24 -3.07 0.00 0.00 178.15 176.28 1f1j h MET 259 N 0.10 0.71 -0.10 2.19 2.86 -1.92 -0.03 114.93 118.74 1f1j h MET 259 Ca 0.35 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1f1j h MET 259 Cb 0.59 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1f1j h MET 259 CO -0.60 0.47 -0.03 1.96 1.06 0.00 0.00 176.91 179.78 1f1j h GLN 260 N 0.73 0.19 0.16 1.72 4.20 -1.48 0.50 115.11 121.13 1f1j h GLN 260 Ca 0.21 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1f1j h GLN 260 Cb -0.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1f1j h GLN 260 CO -0.05 0.50 -0.28 0.82 -0.67 0.00 0.00 178.83 179.15 1f1j h ILE 261 N -0.14 0.39 -0.22 2.54 2.04 -0.90 -0.59 117.51 120.62 1f1j h ILE 261 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1f1j h ILE 261 Cb 0.44 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1f1j h ILE 261 CO 0.01 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.10 1f1j h LEU 262 N -0.52 0.29 -0.53 1.44 3.38 -1.00 0.46 115.31 118.83 1f1j h LEU 262 Ca 0.02 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1f1j h LEU 262 Cb 0.53 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1f1j h LEU 262 CO -0.14 0.34 -0.05 0.74 0.09 0.00 0.00 178.44 179.43 1f1j h THR 263 N 0.32 1.27 -0.28 0.22 2.02 -0.46 0.20 112.91 116.20 1f1j h THR 263 Ca 0.08 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 1f1j h THR 263 Cb 0.20 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1f1j h THR 263 CO 0.00 0.42 -0.18 0.03 0.37 0.00 0.00 175.52 176.16 1f1j h ARG 264 N 0.84 0.49 -0.51 6.66 3.08 -0.18 0.23 114.38 124.99 1f1j h ARG 264 Ca 0.14 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1f1j h ARG 264 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1f1j h ARG 264 CO 0.04 0.65 -0.02 0.28 -1.07 0.00 0.00 179.97 179.85 1f1j h VAL 265 N 0.45 1.27 -0.14 2.04 2.07 -0.52 0.14 116.25 121.56 1f1j h VAL 265 Ca 0.08 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1f1j h VAL 265 Cb 0.57 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1f1j h VAL 265 CO 0.04 0.40 -0.00 0.78 0.02 0.00 0.00 177.57 178.80 1f1j h ASN 266 N 0.79 -0.06 -0.46 0.57 2.35 0.25 -1.24 115.58 117.78 1f1j h ASN 266 Ca 0.14 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1f1j h ASN 266 Cb 0.55 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1f1j h ASN 266 CO 0.03 -0.01 -0.18 -0.78 -1.65 0.00 0.00 177.43 174.84 1f1j h ASP 267 N 0.04 0.98 -0.45 5.81 3.58 -0.79 -2.68 116.42 122.91 1f1j h ASP 267 Ca 0.07 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1f1j h ASP 267 Cb 0.08 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1f1j h ASP 267 CO -0.11 1.13 0.27 -0.09 -2.88 0.00 0.00 179.24 177.55 1f1j h ARG 268 N 0.84 0.61 -0.33 0.28 9.65 -0.31 -1.56 114.38 123.56 1f1j h ARG 268 Ca 0.12 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1f1j h ARG 268 Cb 0.74 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1f1j h ARG 268 CO 0.06 0.45 -0.06 0.28 2.80 0.00 0.00 179.97 183.50 1f1j h VAL 269 N 0.60 1.28 -0.29 0.20 2.07 -1.26 -0.41 116.25 118.42 1f1j h VAL 269 Ca 0.16 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1f1j h VAL 269 Cb 0.00 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1f1j h VAL 269 CO -0.03 0.36 0.11 0.00 0.02 0.00 0.00 177.57 178.02 1f1j h ALA 270 N 0.81 0.38 0.08 1.67 0.00 -1.39 -3.16 119.26 117.65 1f1j h ALA 270 Ca 0.09 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1f1j h ALA 270 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1f1j h ALA 270 CO 0.03 -0.01 -1.64 0.00 0.00 0.00 0.00 179.25 177.62 1f1j h ARG 271 N 0.31 0.17 -0.38 0.00 3.08 -1.34 -3.40 114.38 112.82 1f1j h ARG 271 Ca 0.09 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1f1j h ARG 271 Cb 0.21 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1f1j h ARG 271 CO -0.01 0.95 0.00 0.72 -1.07 0.00 0.00 179.97 180.56 1f1j n HIS 272 N -3.34 0.50 -4.26 3.04 8.25 -0.17 -4.93 115.22 114.31 1f1j n HIS 272 Ca -0.19 -0.25 -0.17 0.00 -0.26 0.00 0.00 57.72 56.85 1f1j n HIS 272 Cb 1.04 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.01 1f1j n HIS 272 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1f1j s PHE 273 N -1.50 0.83 -0.26 4.41 0.08 -1.19 -5.02 117.98 115.33 1f1j s PHE 273 Ca 0.37 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.05 1f1j s PHE 273 Cb 0.21 -0.51 0.10 0.00 -0.57 0.00 0.00 43.02 42.25 1f1j s PHE 273 CO 0.29 -0.01 0.59 -2.00 -0.10 0.00 0.00 175.22 173.98 1f1j s GLU 274 N -0.73 0.53 0.37 0.44 2.12 -1.26 -4.69 118.70 115.48 1f1j s GLU 274 Ca -0.00 1.25 -0.27 0.00 0.36 0.00 0.00 54.97 56.31 1f1j s GLU 274 Cb -0.06 0.51 -0.11 0.00 0.26 0.00 0.00 34.13 34.73 1f1j s GLU 274 CO 0.00 -0.20 1.35 -1.13 -0.54 0.00 0.00 175.26 174.74 1f1j n SER 275 N 5.08 3.03 -4.24 -1.70 3.41 -0.04 -4.82 113.62 114.34 1f1j n SER 275 Ca -0.14 1.19 -0.32 0.00 -0.26 0.00 0.00 58.87 59.33 1f1j n SER 275 Cb 0.52 -1.53 -0.16 0.00 -0.26 0.00 0.00 64.21 62.78 1f1j n SER 275 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1f1j s GLN 276 N -2.04 3.12 0.08 4.33 -0.21 -1.26 0.20 119.66 123.88 1f1j s GLN 276 Ca 0.56 -0.82 -0.24 0.00 0.02 0.00 0.00 55.36 54.87 1f1j s GLN 276 Cb -0.52 -2.43 0.06 0.00 1.00 0.00 0.00 33.01 31.12 1f1j s GLN 276 CO 0.62 0.12 0.59 0.45 -2.12 0.00 0.00 175.29 174.94 1f1j s SER 277 N 0.52 -0.54 0.20 5.90 0.15 -1.26 -4.91 113.70 113.75 1f1j s SER 277 Ca -0.13 0.20 0.18 0.00 0.70 0.00 0.00 55.95 56.90 1f1j s SER 277 Cb -0.17 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1f1j s SER 277 CO 0.05 -0.82 1.15 0.44 1.20 0.00 0.00 173.24 175.26 1f1j h ASP 278 N 2.45 0.00 -3.59 5.45 3.32 -2.00 -3.42 116.42 118.63 1f1j h ASP 278 Ca -0.32 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.12 1f1j h ASP 278 Cb 1.24 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.68 1f1j h ASP 278 CO 0.40 0.39 0.43 -0.62 -1.72 0.00 0.00 179.24 178.12 1f1j s ASP 279 N -5.97 6.50 0.38 6.45 -1.08 -1.26 -4.90 116.67 116.79 1f1j s ASP 279 Ca 0.01 0.15 0.11 0.00 -0.52 0.00 0.00 52.55 52.29 1f1j s ASP 279 Cb 0.08 -2.41 0.88 0.00 -1.46 0.00 0.00 42.92 40.01 1f1j s ASP 279 CO 0.77 -0.88 1.91 1.55 0.52 0.00 0.00 175.17 179.04 1f1j h PRO 280 N 8.80 0.59 -0.19 4.34 0.13 -1.95 0.31 132.00 144.03 1f1j h PRO 280 Ca -0.24 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1f1j h PRO 280 Cb 1.09 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1f1j h PRO 280 CO 0.96 0.39 0.19 1.25 -0.23 0.00 0.00 178.00 180.57 1f1j h HIS 281 N 0.61 0.00 -0.20 1.56 6.17 -1.96 -0.39 115.15 120.94 1f1j h HIS 281 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.47 1f1j h HIS 281 Cb 0.65 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.58 1f1j h HIS 281 CO -0.00 0.00 0.00 1.19 0.71 0.00 0.00 177.93 179.83 1f1j n PHE 282 N -3.88 0.58 -3.66 5.26 3.01 0.10 -5.02 117.46 113.85 1f1j n PHE 282 Ca 0.02 -0.81 -0.37 0.00 1.01 0.00 0.00 57.45 57.30 1f1j n PHE 282 Cb 0.32 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 1f1j n PHE 282 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1f1j s HIS 283 N -2.39 3.57 -1.30 1.38 2.46 -0.16 -4.43 115.29 114.42 1f1j s HIS 283 Ca 0.34 0.65 -0.00 0.00 0.47 0.00 0.00 55.06 56.51 1f1j s HIS 283 Cb 0.27 -2.18 0.00 0.00 -0.13 0.00 0.00 32.58 30.54 1f1j s HIS 283 CO 0.08 0.51 0.04 0.39 -2.47 0.00 0.00 174.74 173.30 1f1j n GLU 284 N 2.59 -1.46 -2.11 2.88 1.02 0.13 -4.97 120.64 118.73 1f1j n GLU 284 Ca -0.15 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.41 1f1j n GLU 284 Cb 0.53 -5.09 -0.01 0.00 -0.02 0.00 0.00 31.44 26.85 1f1j n GLU 284 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1f1j s LYS 285 N -4.83 3.76 0.46 3.49 -0.14 -1.26 -4.64 119.74 116.59 1f1j s LYS 285 Ca 0.02 0.84 0.05 0.00 -1.36 0.00 0.00 55.97 55.52 1f1j s LYS 285 Cb -0.01 -2.11 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 1f1j s LYS 285 CO 0.03 -0.43 0.08 0.15 -0.76 0.00 0.00 175.35 174.42 1f1j s LYS 286 N -4.68 2.13 -0.17 1.68 -0.14 0.10 -0.86 119.74 117.80 1f1j s LYS 286 Ca 0.57 -2.14 -0.18 0.00 -1.36 0.00 0.00 55.97 52.85 1f1j s LYS 286 Cb -0.10 -1.72 0.05 0.00 -1.68 0.00 0.00 37.83 34.37 1f1j s LYS 286 CO 0.44 -0.23 0.50 -1.14 -0.76 0.00 0.00 175.35 174.16 1f1j s GLN 287 N -3.87 0.61 -0.08 1.68 0.74 -1.26 -4.11 119.66 113.37 1f1j s GLN 287 Ca 0.26 0.63 0.01 0.00 0.05 0.00 0.00 55.36 56.31 1f1j s GLN 287 Cb 0.05 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.47 1f1j s GLN 287 CO 0.14 -0.09 -0.11 -1.50 -0.55 0.00 0.00 175.29 173.18 1f1j s ILE 288 N 0.11 1.14 0.20 -2.34 1.10 -1.26 -3.38 121.20 116.77 1f1j s ILE 288 Ca -0.01 -0.44 -0.03 0.00 -0.51 0.00 0.00 60.65 59.65 1f1j s ILE 288 Cb -0.03 -1.07 0.05 0.00 0.15 0.00 0.00 42.46 41.56 1f1j s ILE 288 CO 0.01 0.37 0.15 -2.65 -2.11 0.00 0.00 174.94 170.71 1f1j n PRO 289 N 4.15 -1.75 -3.66 3.50 -0.02 -1.24 -3.30 135.00 132.68 1f1j n PRO 289 Ca -0.20 -0.25 -0.05 0.00 -2.02 0.00 0.00 63.50 60.98 1f1j n PRO 289 Cb 0.51 -0.26 -0.07 0.00 -0.02 0.00 0.00 33.50 33.66 1f1j n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f1j s VAL 291 N 2.67 3.83 -0.14 0.00 1.01 -1.26 -0.47 120.40 126.03 1f1j s VAL 291 Ca -0.04 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1f1j s VAL 291 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1f1j s VAL 291 CO -0.15 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.56 1f1j s VAL 292 N 0.36 2.41 -0.06 2.92 1.01 -0.35 -5.00 120.40 121.69 1f1j s VAL 292 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1f1j s VAL 292 Cb -0.14 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1f1j s VAL 292 CO 0.03 0.53 -0.15 -0.55 0.00 0.00 0.00 175.10 174.97 1f1j s SER 293 N 0.67 2.03 -0.07 3.32 0.15 -1.26 -1.23 113.70 117.31 1f1j s SER 293 Ca -0.09 -0.34 0.10 0.00 0.70 0.00 0.00 55.95 56.32 1f1j s SER 293 Cb -0.16 -0.83 0.15 0.00 -1.71 0.00 0.00 66.02 63.48 1f1j s SER 293 CO 0.02 0.08 1.06 0.23 1.20 0.00 0.00 173.24 175.83 1f1j n MET 294 N 3.58 1.70 -1.86 5.44 2.81 -0.10 -5.03 117.12 123.66 1f1j n MET 294 Ca -0.21 -1.99 -0.35 0.00 -1.81 0.00 0.00 57.70 53.34 1f1j n MET 294 Cb 0.52 -1.20 0.05 0.00 -0.71 0.00 0.00 33.22 31.88 1f1j n MET 294 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1f1j s LEU 295 N -1.87 3.56 0.00 4.03 1.43 -1.21 -1.35 118.68 123.26 1f1j s LEU 295 Ca 0.17 2.34 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 1f1j s LEU 295 Cb 0.15 -4.59 0.07 0.00 0.03 0.00 0.00 46.19 41.85 1f1j s LEU 295 CO 0.02 -1.75 0.93 0.35 0.23 0.00 0.00 176.35 176.13 1f1j n THR 296 N -1.93 0.69 -3.97 5.49 -2.24 -1.26 -4.86 114.28 106.19 1f1j n THR 296 Ca 0.13 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 1f1j n THR 296 Cb 0.50 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1f1j n THR 296 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1f1j s LYS 297 N -0.77 1.94 -0.00 -0.78 -0.14 -1.26 -4.99 119.74 113.73 1f1j s LYS 297 Ca 0.06 -1.52 -0.17 0.00 -1.36 0.00 0.00 55.97 52.98 1f1j s LYS 297 Cb 0.03 0.51 -0.06 0.00 -1.68 0.00 0.00 37.83 36.64 1f1j s LYS 297 CO 0.05 -0.85 0.47 -1.21 -0.76 0.00 0.00 175.35 173.05 1f1j s GLU 298 N -3.05 4.10 -0.22 1.68 2.02 0.46 -4.83 118.70 118.87 1f1j s GLU 298 Ca 0.23 0.52 -0.04 0.00 0.02 0.00 0.00 54.97 55.71 1f1j s GLU 298 Cb -0.02 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1f1j s GLU 298 CO 0.15 0.55 -0.04 -1.17 0.02 0.00 0.00 175.26 174.78 1f1j s LEU 299 N -0.70 2.96 -0.08 1.80 2.96 -1.26 -0.58 118.68 123.78 1f1j s LEU 299 Ca 0.26 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1f1j s LEU 299 Cb -0.17 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1f1j s LEU 299 CO 0.14 -0.00 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.69 1f1j s TYR 300 N 1.37 1.90 -1.21 5.38 2.02 -1.26 -1.15 117.35 124.40 1f1j s TYR 300 Ca 0.05 -0.75 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 1f1j s TYR 300 Cb -0.14 -1.33 -0.06 0.00 -0.40 0.00 0.00 41.96 40.03 1f1j s TYR 300 CO -0.02 -0.34 2.94 1.19 -1.57 0.00 0.00 175.55 177.75 1f1j n PHE 301 N 3.71 2.00 -0.35 2.71 3.72 -1.26 -4.93 117.46 123.06 1f1j n PHE 301 Ca -0.21 -2.69 0.00 0.00 -0.05 0.00 0.00 57.45 54.49 1f1j n PHE 301 Cb 0.52 -2.13 0.00 0.00 -0.94 0.00 0.00 39.48 36.93 1f1j n PHE 301 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58