#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shj n TYR 58 N 0.00 0.19 -4.43 1.09 4.01 -1.26 -4.97 117.16 111.79 1shj n TYR 58 Ca 0.00 -0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.27 1shj n TYR 58 Cb 0.00 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.90 1shj n TYR 58 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1shj s GLN 59 N -0.95 1.53 0.14 -0.72 -2.07 -1.26 -0.05 119.66 116.27 1shj s GLN 59 Ca 0.17 -1.54 -0.31 0.00 -1.82 0.00 0.00 55.36 51.85 1shj s GLN 59 Cb 0.10 -1.83 -0.09 0.00 -1.09 0.00 0.00 33.01 30.10 1shj s GLN 59 CO 0.14 0.39 1.47 0.71 -1.32 0.00 0.00 175.29 176.69 1shj s TYR 60 N -1.74 3.15 -0.19 9.60 2.02 -0.17 -4.78 117.35 125.24 1shj s TYR 60 Ca 0.21 0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 57.42 1shj s TYR 60 Cb -0.08 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.65 1shj s TYR 60 CO 0.10 -2.88 1.70 1.21 -1.57 0.00 0.00 175.55 174.12 1shj s ASN 61 N 1.15 6.32 -0.20 2.29 2.47 -1.26 -4.84 114.94 120.87 1shj s ASN 61 Ca 0.67 1.77 0.15 0.00 0.42 0.00 0.00 52.86 55.87 1shj s ASN 61 Cb -0.40 -2.53 0.74 0.00 -1.45 0.00 0.00 41.25 37.61 1shj s ASN 61 CO 0.31 -1.28 1.66 0.23 -3.72 0.00 0.00 177.10 174.30 1shj n MET 62 N 7.71 4.31 -2.97 0.43 2.81 -1.26 -4.82 117.12 123.33 1shj n MET 62 Ca 0.20 -3.04 -0.44 0.00 -1.81 0.00 0.00 57.70 52.61 1shj n MET 62 Cb 0.45 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 1shj n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1shj n ASN 63 N 0.51 5.28 -4.13 7.83 2.85 -1.26 -4.84 115.26 121.50 1shj n ASN 63 Ca 0.26 -3.00 -0.09 0.00 -0.11 0.00 0.00 54.58 51.64 1shj n ASN 63 Cb 1.08 -1.53 -0.10 0.00 1.24 0.00 0.00 39.78 40.47 1shj n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1shj s PHE 64 N 0.96 0.77 0.07 1.20 0.40 -1.26 -5.04 117.98 115.08 1shj s PHE 64 Ca 0.41 -1.17 -0.26 0.00 -0.60 0.00 0.00 56.93 55.30 1shj s PHE 64 Cb -0.03 -0.46 -0.12 0.00 0.51 0.00 0.00 43.02 42.92 1shj s PHE 64 CO -0.01 -0.46 1.41 0.93 0.70 0.00 0.00 175.22 177.79 1shj h GLU 65 N 2.95 -0.61 -6.19 0.44 5.08 -1.86 -3.44 114.58 110.95 1shj h GLU 65 Ca -0.35 0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.52 1shj h GLU 65 Cb 1.18 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1shj h GLU 65 CO 0.61 -0.40 -0.58 -1.59 -1.00 0.00 0.00 179.01 176.05 1shj s LYS 66 N -5.08 2.60 0.08 2.33 -2.85 -0.88 -5.04 119.74 110.90 1shj s LYS 66 Ca -0.13 -1.26 -0.21 0.00 -1.00 0.00 0.00 55.97 53.38 1shj s LYS 66 Cb 0.04 -2.35 -0.11 0.00 -2.06 0.00 0.00 37.83 33.35 1shj s LYS 66 CO 0.45 0.36 1.61 1.25 0.10 0.00 0.00 175.35 179.12 1shj h LEU 67 N 1.67 0.20 0.00 2.77 6.46 -1.85 -2.57 115.31 121.99 1shj h LEU 67 Ca -0.46 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 1shj h LEU 67 Cb 1.24 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1shj h LEU 67 CO 0.61 0.32 0.00 0.61 -0.62 0.00 0.00 178.44 179.36 1shj n GLY 68 N -0.66 1.89 3.80 3.75 0.00 -1.26 -0.86 105.19 111.86 1shj n GLY 68 Ca -0.05 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1shj n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1shj s LYS 69 N -1.74 3.88 -0.20 1.61 2.47 -1.25 -1.57 119.74 122.93 1shj s LYS 69 Ca 0.00 1.33 -0.04 0.00 -1.56 0.00 0.00 55.97 55.70 1shj s LYS 69 Cb 0.00 -2.13 0.07 0.00 -1.46 0.00 0.00 37.83 34.31 1shj s LYS 69 CO 0.00 -0.36 0.09 0.00 0.16 0.00 0.00 175.35 175.24 1shj s ILE 71 N 2.08 5.10 -0.33 0.00 1.01 -0.33 -2.05 121.20 126.69 1shj s ILE 71 Ca 0.04 1.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.81 1shj s ILE 71 Cb -0.16 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.47 1shj s ILE 71 CO -0.16 0.32 0.06 -0.63 0.00 0.00 0.00 174.94 174.53 1shj s ILE 72 N 0.56 3.16 -0.19 2.92 1.01 -0.74 -0.75 121.20 127.18 1shj s ILE 72 Ca 0.31 -1.51 -0.25 0.00 0.00 0.00 0.00 60.65 59.19 1shj s ILE 72 Cb -0.16 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1shj s ILE 72 CO 0.14 -0.26 0.82 -0.63 0.00 0.00 0.00 174.94 175.01 1shj s ILE 73 N 1.24 4.88 -0.46 2.92 -1.09 -0.34 -0.56 121.20 127.79 1shj s ILE 73 Ca -0.01 1.59 0.06 0.00 -2.23 0.00 0.00 60.65 60.05 1shj s ILE 73 Cb -0.20 -4.12 0.40 0.00 -1.58 0.00 0.00 42.46 36.96 1shj s ILE 73 CO -0.01 0.01 1.05 -3.20 -1.23 0.00 0.00 174.94 171.56 1shj n ASN 74 N 5.39 4.30 -4.57 3.58 4.05 0.50 -1.19 115.26 127.32 1shj n ASN 74 Ca 0.04 -3.62 -0.39 0.00 0.45 0.00 0.00 54.58 51.06 1shj n ASN 74 Cb 0.49 -0.49 -0.03 0.00 1.23 0.00 0.00 39.78 40.97 1shj n ASN 74 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1shj s ASN 75 N -3.46 5.01 -0.20 1.20 0.01 -0.64 -3.88 114.94 112.98 1shj s ASN 75 Ca 0.46 1.34 -0.10 0.00 -0.71 0.00 0.00 52.86 53.85 1shj s ASN 75 Cb 0.37 -2.51 -0.08 0.00 0.41 0.00 0.00 41.25 39.44 1shj s ASN 75 CO -0.16 -2.39 -0.26 1.17 -1.51 0.00 0.00 177.10 173.95 1shj n LYS 76 N 8.88 0.42 -3.96 -0.60 4.81 -1.26 -4.32 118.16 122.14 1shj n LYS 76 Ca 0.31 0.19 -0.36 0.00 -0.87 0.00 0.00 58.31 57.58 1shj n LYS 76 Cb 0.50 -1.21 -0.08 0.00 0.02 0.00 0.00 35.03 34.26 1shj n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1shj s ASN 77 N -6.77 6.03 0.12 3.14 0.01 -1.26 -2.65 114.94 113.56 1shj s ASN 77 Ca -0.28 0.31 0.10 0.00 -0.71 0.00 0.00 52.86 52.28 1shj s ASN 77 Cb 0.10 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 1shj s ASN 77 CO 0.35 0.32 -0.26 -0.36 -1.51 0.00 0.00 177.10 175.65 1shj s PHE 78 N -0.52 2.19 0.13 2.20 0.40 -1.26 -4.70 117.98 116.41 1shj s PHE 78 Ca 0.11 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 55.74 1shj s PHE 78 Cb -0.12 -1.19 -0.10 0.00 0.51 0.00 0.00 43.02 42.12 1shj s PHE 78 CO 0.02 0.31 1.76 -0.51 0.70 0.00 0.00 175.22 177.50 1shj s ASP 79 N -2.03 6.45 0.12 1.36 1.01 -0.81 -4.87 116.67 117.91 1shj s ASP 79 Ca 0.12 2.73 0.02 0.00 0.71 0.00 0.00 52.55 56.13 1shj s ASP 79 Cb -0.10 -2.57 0.34 0.00 1.01 0.00 0.00 42.92 41.60 1shj s ASP 79 CO 0.06 -0.97 0.59 2.29 0.21 0.00 0.00 175.17 177.35 1shj n LYS 80 N 5.22 -0.03 0.00 8.23 -0.00 -1.26 -1.51 118.16 128.81 1shj n LYS 80 Ca 0.17 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 1shj n LYS 80 Cb 0.38 -0.91 0.00 0.00 -0.00 0.00 0.00 35.03 34.50 1shj n LYS 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1shj n VAL 81 N -4.24 0.00 -0.14 0.58 0.31 -1.26 -1.42 118.33 112.16 1shj n VAL 81 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1shj n VAL 81 Cb 0.34 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1shj n VAL 81 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1shj n THR 82 N -0.14 0.00 -2.59 2.52 -2.24 -0.57 -4.98 114.28 106.28 1shj n THR 82 Ca 0.00 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1shj n THR 82 Cb 0.02 1.14 -0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1shj n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shj n GLY 83 N 0.39 -0.50 3.77 3.38 0.00 -0.50 -4.95 105.19 106.77 1shj n GLY 83 Ca 0.00 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1shj n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shj s MET 84 N -5.19 4.05 0.71 1.61 -1.94 -1.26 -3.73 119.30 113.55 1shj s MET 84 Ca 0.07 0.06 -0.10 0.00 -1.71 0.00 0.00 55.69 54.00 1shj s MET 84 Cb -0.03 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.48 1shj s MET 84 CO 0.08 0.41 1.08 0.20 -0.01 0.00 0.00 175.02 176.78 1shj s GLY 85 N -0.03 1.62 -0.19 -0.03 0.00 -1.26 -4.57 107.32 102.86 1shj s GLY 85 Ca 0.16 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 1shj s GLY 85 CO 0.04 -0.12 1.70 0.14 0.00 0.00 0.00 173.10 174.86 1shj s VAL 86 N -3.34 3.58 -1.26 1.40 1.01 -1.26 -4.74 120.40 115.79 1shj s VAL 86 Ca 0.58 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 1shj s VAL 86 Cb -0.11 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1shj s VAL 86 CO 0.50 -0.23 1.92 0.54 0.00 0.00 0.00 175.10 177.83 1shj n ARG 87 N 7.71 2.61 -1.74 2.72 1.74 -1.08 -4.96 116.66 123.65 1shj n ARG 87 Ca 0.20 -2.78 -0.42 0.00 -0.77 0.00 0.00 57.85 54.07 1shj n ARG 87 Cb 0.45 -3.42 -0.02 0.00 -1.02 0.00 0.00 32.46 28.45 1shj n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1shj n ASN 88 N 8.81 3.80 0.00 0.55 3.02 -1.26 -2.34 115.26 127.83 1shj n ASN 88 Ca 0.49 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 56.18 1shj n ASN 88 Cb 0.44 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 1shj n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1shj n GLY 89 N 2.25 2.11 0.33 7.41 0.00 -1.26 -4.88 105.19 111.14 1shj n GLY 89 Ca 0.09 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.32 1shj n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shj h THR 90 N 0.00 0.12 -0.01 2.61 1.03 -1.84 0.20 112.91 115.01 1shj h THR 90 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 1shj h THR 90 Cb 0.00 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1shj h THR 90 CO 0.00 0.00 -0.20 0.44 -0.01 0.00 0.00 175.52 175.75 1shj h ASP 91 N 0.00 0.19 -0.96 0.00 3.32 -1.90 0.32 116.42 117.38 1shj h ASP 91 Ca 0.00 -0.75 0.12 0.00 0.02 0.00 0.00 57.03 56.42 1shj h ASP 91 Cb 0.05 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 1shj h ASP 91 CO -0.00 0.91 0.59 0.50 -1.72 0.00 0.00 179.24 179.52 1shj h LYS 92 N -0.52 0.90 0.93 3.56 1.63 -1.70 -1.16 116.57 120.21 1shj h LYS 92 Ca -0.02 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1shj h LYS 92 Cb 0.94 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1shj h LYS 92 CO 0.04 0.60 -0.45 -0.44 -3.45 0.00 0.00 179.45 175.74 1shj h ASP 93 N 0.93 -1.08 -0.58 4.20 3.32 -0.59 -2.27 116.42 120.35 1shj h ASP 93 Ca 0.48 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.58 1shj h ASP 93 Cb 0.49 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1shj h ASP 93 CO -0.27 -0.76 0.38 0.00 -1.72 0.00 0.00 179.24 176.87 1shj h ALA 94 N -1.40 1.62 0.66 3.45 0.00 -0.79 -0.21 119.26 122.59 1shj h ALA 94 Ca -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1shj h ALA 94 Cb 0.96 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1shj h ALA 94 CO 0.20 0.34 -0.32 1.49 0.00 0.00 0.00 179.25 180.97 1shj h GLU 95 N 0.75 -0.86 -0.87 0.00 4.81 -1.24 -0.65 114.58 116.53 1shj h GLU 95 Ca 0.22 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.73 1shj h GLU 95 Cb -0.04 0.20 -0.15 0.00 0.63 0.00 0.00 28.75 29.38 1shj h GLU 95 CO -0.05 -0.54 0.07 0.00 -0.73 0.00 0.00 179.01 177.76 1shj h ALA 96 N -0.73 1.04 -0.44 2.92 0.00 -0.71 -0.65 119.26 120.70 1shj h ALA 96 Ca -0.09 0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1shj h ALA 96 Cb 0.71 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1shj h ALA 96 CO 0.15 -0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 178.67 1shj h LEU 97 N 0.10 0.92 0.29 0.00 3.38 -0.89 -1.33 115.31 117.77 1shj h LEU 97 Ca 0.51 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1shj h LEU 97 Cb 1.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1shj h LEU 97 CO -0.76 1.10 -0.22 0.15 0.09 0.00 0.00 178.44 178.81 1shj h PHE 98 N 0.73 -0.57 -0.54 1.13 3.57 0.37 -0.38 116.94 121.25 1shj h PHE 98 Ca 0.10 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1shj h PHE 98 Cb 0.74 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1shj h PHE 98 CO 0.05 -0.33 0.35 -0.22 -2.23 0.00 0.00 178.31 175.94 1shj h LYS 99 N -0.51 0.70 -0.03 1.11 3.64 -1.26 -0.46 116.57 119.76 1shj h LYS 99 Ca -0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1shj h LYS 99 Cb 0.44 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1shj h LYS 99 CO -0.01 0.46 0.01 0.00 -2.27 0.00 0.00 179.45 177.64 1shj h PHE 101 N -0.17 0.15 -0.36 0.00 -1.00 -0.98 -2.26 116.94 112.33 1shj h PHE 101 Ca 0.01 -0.07 -0.12 0.00 2.81 0.00 0.00 57.97 60.60 1shj h PHE 101 Cb 0.22 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1shj h PHE 101 CO -0.00 0.81 -0.24 -0.09 -1.61 0.00 0.00 178.31 177.18 1shj h ARG 102 N 0.07 0.80 -0.94 1.51 9.65 -1.10 -1.90 114.38 122.47 1shj h ARG 102 Ca -0.02 -0.38 0.10 0.00 -1.10 0.00 0.00 59.98 58.59 1shj h ARG 102 Cb 1.32 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.81 1shj h ARG 102 CO 0.11 1.01 0.57 1.03 2.80 0.00 0.00 179.97 185.49 1shj h SER 103 N 0.59 0.84 -0.71 -3.80 0.87 -1.14 -0.96 113.55 109.24 1shj h SER 103 Ca 0.07 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1shj h SER 103 Cb 0.81 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 1shj h SER 103 CO 0.07 0.47 0.47 -0.07 -0.53 0.00 0.00 176.83 177.24 1shj h LEU 104 N 0.94 0.80 0.00 2.23 3.38 -1.06 -3.46 115.31 118.14 1shj h LEU 104 Ca 0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1shj h LEU 104 Cb 0.40 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1shj h LEU 104 CO -0.25 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1shj n GLY 105 N -1.43 0.52 3.85 0.83 0.00 -0.37 -5.00 105.19 103.60 1shj n GLY 105 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1shj n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shj s PHE 106 N -0.84 3.41 -1.14 1.61 0.40 -0.74 -4.06 117.98 116.61 1shj s PHE 106 Ca 0.00 1.21 -0.16 0.00 -0.60 0.00 0.00 56.93 57.38 1shj s PHE 106 Cb 0.00 -2.55 0.14 0.00 0.51 0.00 0.00 43.02 41.12 1shj s PHE 106 CO 0.00 -0.02 1.40 -0.51 0.70 0.00 0.00 175.22 176.78 1shj s ASP 107 N -2.62 6.91 0.07 1.36 1.01 -0.61 -4.43 116.67 118.36 1shj s ASP 107 Ca 0.54 -2.62 -0.29 0.00 0.71 0.00 0.00 52.55 50.89 1shj s ASP 107 Cb -0.10 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1shj s ASP 107 CO 0.23 -0.91 0.93 -0.69 0.21 0.00 0.00 175.17 174.93 1shj s VAL 108 N 2.34 4.62 -0.05 -1.27 1.01 -1.26 -2.38 120.40 123.42 1shj s VAL 108 Ca 0.42 1.98 0.01 0.00 0.00 0.00 0.00 61.98 64.39 1shj s VAL 108 Cb -0.02 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1shj s VAL 108 CO -0.02 0.29 -0.06 -0.63 0.00 0.00 0.00 175.10 174.69 1shj s ILE 109 N 0.20 0.63 -0.11 2.22 1.01 -0.87 -4.98 121.20 119.31 1shj s ILE 109 Ca 0.46 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 1shj s ILE 109 Cb -0.22 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1shj s ILE 109 CO 0.28 0.25 0.13 -0.69 0.00 0.00 0.00 174.94 174.91 1shj s VAL 110 N 0.92 5.43 -0.04 2.92 1.01 -1.26 -1.80 120.40 127.59 1shj s VAL 110 Ca -0.11 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1shj s VAL 110 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1shj s VAL 110 CO 0.00 0.60 -0.14 -0.31 0.00 0.00 0.00 175.10 175.25 1shj s TYR 111 N -1.04 1.41 0.25 5.22 1.51 0.28 -4.96 117.35 120.01 1shj s TYR 111 Ca 0.16 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 1shj s TYR 111 Cb -0.12 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1shj s TYR 111 CO 0.05 -0.15 0.06 -0.80 -1.11 0.00 0.00 175.55 173.60 1shj s ASN 112 N 0.16 4.90 -0.76 2.29 0.02 -1.26 -0.37 114.94 119.92 1shj s ASN 112 Ca -0.05 -0.48 -0.11 0.00 -1.02 0.00 0.00 52.86 51.21 1shj s ASN 112 Cb -0.11 -1.06 0.01 0.00 0.02 0.00 0.00 41.25 40.12 1shj s ASN 112 CO 0.02 0.00 0.20 0.47 0.02 0.00 0.00 177.10 177.81 1shj n ASP 113 N -0.87 -0.95 -4.75 -1.22 8.00 -1.25 -4.81 116.55 110.70 1shj n ASP 113 Ca -0.07 -0.72 -0.40 0.00 0.71 0.00 0.00 54.79 54.30 1shj n ASP 113 Cb 0.58 -0.88 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 1shj n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shj s SER 115 N -0.84 5.07 0.22 0.00 1.04 -1.26 0.71 113.70 118.63 1shj s SER 115 Ca 0.43 1.45 -0.09 0.00 0.48 0.00 0.00 55.95 58.23 1shj s SER 115 Cb -0.27 -2.27 0.20 0.00 0.10 0.00 0.00 66.02 63.77 1shj s SER 115 CO 0.34 -1.62 1.89 0.00 0.98 0.00 0.00 173.24 174.83 1shj h ALA 117 N 1.31 0.93 0.03 0.00 0.00 -1.98 -1.48 119.26 118.06 1shj h ALA 117 Ca 0.31 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1shj h ALA 117 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1shj h ALA 117 CO -0.07 0.76 -0.01 -0.22 0.00 0.00 0.00 179.25 179.71 1shj h LYS 118 N 0.00 -0.03 -0.93 0.00 3.11 -1.62 0.19 116.57 117.29 1shj h LYS 118 Ca -0.01 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1shj h LYS 118 Cb 1.12 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.30 1shj h LYS 118 CO 0.08 -0.01 0.61 0.52 -2.81 0.00 0.00 179.45 177.83 1shj h MET 119 N -0.04 1.09 0.01 1.90 2.86 -0.80 0.15 114.93 120.09 1shj h MET 119 Ca -0.00 -0.07 -0.25 0.00 -2.06 0.00 0.00 59.70 57.32 1shj h MET 119 Cb 0.03 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 31.46 1shj h MET 119 CO 0.01 0.72 -1.02 1.96 1.06 0.00 0.00 176.91 179.64 1shj h GLN 120 N 1.12 0.54 0.21 1.72 1.08 -1.06 -2.82 115.11 115.90 1shj h GLN 120 Ca 0.38 -0.60 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 1shj h GLN 120 Cb 0.10 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1shj h GLN 120 CO -0.13 1.22 -0.10 0.22 -0.95 0.00 0.00 178.83 179.09 1shj h ASP 121 N 0.29 -0.24 -0.79 1.46 3.58 -0.28 -0.17 116.42 120.28 1shj h ASP 121 Ca -0.11 -0.26 0.07 0.00 0.42 0.00 0.00 57.03 57.15 1shj h ASP 121 Cb 1.67 0.06 -0.09 0.00 1.72 0.00 0.00 39.33 42.68 1shj h ASP 121 CO 0.19 0.17 -0.46 0.18 -2.88 0.00 0.00 179.24 176.44 1shj n LEU 122 N -5.04 -0.83 -0.07 2.28 4.32 0.49 0.10 117.00 118.25 1shj n LEU 122 Ca -0.09 1.46 -0.08 0.00 -0.02 0.00 0.00 56.01 57.29 1shj n LEU 122 Cb 0.25 -0.21 0.09 0.00 -1.62 0.00 0.00 43.42 41.93 1shj n LEU 122 CO 0.30 -1.17 0.68 -0.07 -1.22 0.00 0.00 177.39 175.91 1shj h LEU 123 N 0.00 0.75 -0.47 2.23 3.38 -1.45 -0.74 115.31 119.01 1shj h LEU 123 Ca 0.13 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1shj h LEU 123 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1shj h LEU 123 CO -0.74 0.98 -0.04 0.50 0.09 0.00 0.00 178.44 179.23 1shj h LYS 124 N 0.63 0.86 0.09 1.13 3.64 0.03 -1.48 116.57 121.46 1shj h LYS 124 Ca 0.08 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1shj h LYS 124 Cb 0.77 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1shj h LYS 124 CO 0.06 0.92 -0.06 0.87 -2.27 0.00 0.00 179.45 178.98 1shj h LYS 125 N 0.70 -0.14 -0.38 1.90 1.57 -0.13 -0.98 116.57 119.11 1shj h LYS 125 Ca 0.13 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1shj h LYS 125 Cb 0.56 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 1shj h LYS 125 CO 0.03 -0.09 -0.41 0.00 -0.57 0.00 0.00 179.45 178.41 1shj h ALA 126 N 0.77 -0.40 -0.93 3.86 0.00 -1.06 -0.52 119.26 120.98 1shj h ALA 126 Ca -0.01 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1shj h ALA 126 Cb 0.13 0.85 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1shj h ALA 126 CO 0.00 -0.85 0.60 0.66 0.00 0.00 0.00 179.25 179.66 1shj h SER 127 N -0.33 0.75 1.26 0.00 4.64 -1.04 -1.54 113.55 117.29 1shj h SER 127 Ca 0.14 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1shj h SER 127 Cb 0.58 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1shj h SER 127 CO -0.55 0.38 0.00 -0.33 -0.87 0.00 0.00 176.83 175.46 1shj h GLU 128 N 0.80 0.00 -7.21 4.77 5.08 0.26 -3.45 114.58 114.83 1shj h GLU 128 Ca 0.47 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.30 1shj h GLU 128 Cb 0.65 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.07 1shj h GLU 128 CO -0.23 0.00 0.34 -1.21 -1.00 0.00 0.00 179.01 176.91 1shj s GLU 129 N -3.46 1.80 -0.20 2.33 2.02 -0.58 -4.98 118.70 115.63 1shj s GLU 129 Ca 0.04 1.69 -0.25 0.00 0.02 0.00 0.00 54.97 56.47 1shj s GLU 129 Cb 0.08 -1.80 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 1shj s GLU 129 CO 0.56 -2.07 0.82 0.34 0.02 0.00 0.00 175.26 174.92 1shj s ASP 130 N -2.26 6.89 -0.21 -0.19 2.15 -1.26 -4.94 116.67 116.84 1shj s ASP 130 Ca 0.72 1.09 0.14 0.00 0.43 0.00 0.00 52.55 54.94 1shj s ASP 130 Cb -0.27 -2.44 0.50 0.00 -0.30 0.00 0.00 42.92 40.40 1shj s ASP 130 CO 0.50 -0.44 1.41 1.41 -0.17 0.00 0.00 175.17 177.87 1shj n HIS 131 N 5.55 0.89 0.08 -5.34 8.25 -1.26 -4.74 115.22 118.64 1shj n HIS 131 Ca 0.05 -1.14 0.09 0.00 -0.26 0.00 0.00 57.72 56.45 1shj n HIS 131 Cb 0.48 -0.36 0.55 0.00 1.12 0.00 0.00 29.99 31.78 1shj n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1shj h THR 132 N 1.32 0.98 -0.51 1.59 2.02 -1.92 -1.65 112.91 114.75 1shj h THR 132 Ca 0.08 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1shj h THR 132 Cb 1.47 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1shj h THR 132 CO 0.26 0.05 0.00 0.59 0.37 0.00 0.00 175.52 176.78 1shj n ASN 133 N -4.49 3.55 -4.84 4.18 3.02 -1.26 -4.93 115.26 110.49 1shj n ASN 133 Ca 0.03 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.22 1shj n ASN 133 Cb 0.19 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 1shj n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1shj s ALA 134 N -1.34 3.75 -0.20 5.41 0.00 -0.62 -2.07 121.76 126.69 1shj s ALA 134 Ca 0.42 -0.38 0.17 0.00 0.00 0.00 0.00 51.96 52.17 1shj s ALA 134 Cb 0.23 -2.25 0.08 0.00 0.00 0.00 0.00 23.12 21.18 1shj s ALA 134 CO 0.32 0.49 1.36 0.00 0.00 0.00 0.00 175.76 177.93 1shj h ALA 135 N 4.99 0.71 -2.16 0.00 0.00 -0.78 -3.48 119.26 118.54 1shj h ALA 135 Ca -0.52 -0.41 0.21 0.00 0.00 0.00 0.00 54.91 54.19 1shj h ALA 135 Cb 1.22 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1shj h ALA 135 CO 0.62 0.53 0.62 0.00 0.00 0.00 0.00 179.25 181.02 1shj s PHE 137 N -2.49 0.58 -0.12 0.00 5.36 -0.59 -3.88 117.98 116.84 1shj s PHE 137 Ca 0.22 -0.41 -0.05 0.00 -0.96 0.00 0.00 56.93 55.73 1shj s PHE 137 Cb -0.01 -0.35 0.06 0.00 -0.34 0.00 0.00 43.02 42.37 1shj s PHE 137 CO 0.02 -0.08 0.26 0.00 -1.46 0.00 0.00 175.22 173.96 1shj s ALA 138 N -1.12 -0.55 0.01 11.12 0.00 -0.64 -0.06 121.76 130.52 1shj s ALA 138 Ca -0.08 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1shj s ALA 138 Cb -0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1shj s ALA 138 CO 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 175.76 175.08 1shj s ILE 140 N -0.80 0.81 -0.16 0.00 1.01 0.07 -0.97 121.20 121.17 1shj s ILE 140 Ca 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1shj s ILE 140 Cb -0.10 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 1shj s ILE 140 CO 0.02 0.29 -0.14 -0.76 0.00 0.00 0.00 174.94 174.35 1shj s LEU 141 N 0.95 2.53 -0.14 2.97 1.43 0.63 -1.20 118.68 125.86 1shj s LEU 141 Ca -0.10 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1shj s LEU 141 Cb -0.15 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1shj s LEU 141 CO 0.00 0.08 -0.21 -0.76 0.23 0.00 0.00 176.35 175.69 1shj s LEU 142 N 0.83 2.08 0.00 1.79 1.43 -0.33 -1.03 118.68 123.46 1shj s LEU 142 Ca -0.05 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.22 1shj s LEU 142 Cb -0.15 -1.43 0.08 0.00 0.03 0.00 0.00 46.19 44.72 1shj s LEU 142 CO -0.00 0.06 1.07 -0.24 0.23 0.00 0.00 176.35 177.48 1shj n SER 143 N 4.16 -0.80 -4.75 2.29 2.88 -1.00 -1.62 113.62 114.78 1shj n SER 143 Ca -0.20 -1.02 -0.40 0.00 -1.33 0.00 0.00 58.87 55.92 1shj n SER 143 Cb 0.51 1.21 -0.05 0.00 -0.75 0.00 0.00 64.21 65.13 1shj n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1shj s HIS 144 N -2.03 3.79 -0.11 0.66 3.76 -1.26 -0.27 115.29 119.83 1shj s HIS 144 Ca 0.26 1.53 -0.10 0.00 -0.15 0.00 0.00 55.06 56.60 1shj s HIS 144 Cb -0.00 -2.81 0.03 0.00 1.11 0.00 0.00 32.58 30.90 1shj s HIS 144 CO -0.02 0.34 0.29 0.20 -0.85 0.00 0.00 174.74 174.70 1shj s GLY 145 N -0.36 -0.21 0.00 -2.22 0.00 0.24 -0.25 107.32 104.53 1shj s GLY 145 Ca 0.38 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1shj s GLY 145 CO 0.24 0.69 0.00 1.18 0.00 0.00 0.00 173.10 175.21 1shj n GLU 146 N 2.89 0.00 0.00 2.90 1.02 -1.03 -4.24 120.64 122.18 1shj n GLU 146 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1shj n GLU 146 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1shj n GLU 146 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1shj n GLU 147 N 0.00 0.00 -0.75 3.49 4.71 -1.26 -4.78 120.64 122.05 1shj n GLU 147 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 1shj n GLU 147 Cb 0.00 0.00 0.37 0.00 -1.01 0.00 0.00 31.44 30.80 1shj n GLU 147 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1shj n ASN 148 N -1.21 5.20 -3.81 1.62 6.94 -1.26 -4.86 115.26 117.88 1shj n ASN 148 Ca 0.00 -2.83 -0.13 0.00 -0.02 0.00 0.00 54.58 51.60 1shj n ASN 148 Cb 0.00 -0.63 -0.14 0.00 -2.36 0.00 0.00 39.78 36.65 1shj n ASN 148 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1shj s VAL 149 N -2.55 -0.02 0.08 3.53 0.11 -1.26 -0.53 120.40 119.75 1shj s VAL 149 Ca 0.51 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1shj s VAL 149 Cb 0.38 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 35.03 1shj s VAL 149 CO 0.17 0.03 0.05 -0.63 -3.33 0.00 0.00 175.10 171.39 1shj s ILE 150 N 0.46 4.36 -0.20 7.04 -1.09 0.23 -2.45 121.20 129.55 1shj s ILE 150 Ca -0.03 -0.81 -0.22 0.00 -2.23 0.00 0.00 60.65 57.35 1shj s ILE 150 Cb -0.05 -3.08 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 1shj s ILE 150 CO -0.02 0.15 0.69 -0.31 -1.23 0.00 0.00 174.94 174.22 1shj s TYR 151 N -1.34 3.38 0.22 3.97 1.51 0.66 0.81 117.35 126.55 1shj s TYR 151 Ca 0.27 1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 57.32 1shj s TYR 151 Cb -0.12 -2.87 0.05 0.00 -0.11 0.00 0.00 41.96 38.91 1shj s TYR 151 CO 0.20 -0.21 0.30 0.41 -1.11 0.00 0.00 175.55 175.14 1shj n GLY 152 N 3.73 -0.84 0.35 0.71 0.00 0.78 -4.55 105.19 105.37 1shj n GLY 152 Ca 0.01 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1shj n GLY 152 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1shj h LYS 153 N 0.00 -0.55 -0.89 1.61 3.64 0.01 -3.31 116.57 117.09 1shj h LYS 153 Ca -0.10 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 1shj h LYS 153 Cb 0.29 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1shj h LYS 153 CO 0.08 -0.36 0.21 -0.40 -2.27 0.00 0.00 179.45 176.70 1shj n ASP 154 N -4.61 3.61 0.00 4.20 5.75 -1.26 -1.92 116.55 122.32 1shj n ASP 154 Ca -0.06 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 1shj n ASP 154 Cb 0.30 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1shj n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shj n GLY 155 N -0.09 0.70 3.41 6.12 0.00 -1.25 -4.95 105.19 109.12 1shj n GLY 155 Ca 0.27 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1shj n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1shj s VAL 156 N -3.35 2.61 -0.02 1.61 -7.23 -1.26 -0.16 120.40 112.61 1shj s VAL 156 Ca 0.00 -0.93 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1shj s VAL 156 Cb 0.00 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 1shj s VAL 156 CO 0.00 0.56 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.31 1shj s THR 157 N -0.70 1.24 0.11 5.32 2.01 0.24 -4.90 115.64 118.96 1shj s THR 157 Ca 0.11 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.15 1shj s THR 157 Cb -0.10 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 1shj s THR 157 CO 0.00 0.35 1.25 -2.16 -0.69 0.00 0.00 174.62 173.38 1shj s PRO 158 N -0.23 4.42 0.16 4.92 0.04 -1.26 0.75 135.00 143.79 1shj s PRO 158 Ca 0.03 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 1shj s PRO 158 Cb -0.07 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1shj s PRO 158 CO 0.00 -0.26 1.63 0.82 0.04 0.00 0.00 177.00 179.23 1shj h ILE 159 N 4.24 0.39 -0.26 0.56 2.04 -1.14 -2.03 117.51 121.31 1shj h ILE 159 Ca -0.42 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.51 1shj h ILE 159 Cb 1.21 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1shj h ILE 159 CO 0.81 0.00 0.24 0.07 0.00 0.00 0.00 178.15 179.27 1shj h LYS 160 N -0.19 0.00 -0.19 2.37 2.10 -1.89 0.00 116.57 118.78 1shj h LYS 160 Ca 0.17 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.72 1shj h LYS 160 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1shj h LYS 160 CO -0.44 0.00 -0.33 -0.44 -2.00 0.00 0.00 179.45 176.24 1shj h ASP 161 N 0.00 0.39 -0.45 7.07 3.32 -1.74 -1.70 116.42 123.31 1shj h ASP 161 Ca 0.12 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1shj h ASP 161 Cb 0.61 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1shj h ASP 161 CO -0.00 0.70 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.04 1shj h LEU 162 N 0.33 0.91 0.00 1.55 3.38 -1.05 -3.22 115.31 117.21 1shj h LEU 162 Ca 0.04 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1shj h LEU 162 Cb 0.74 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1shj h LEU 162 CO 0.06 1.03 -0.45 0.71 0.09 0.00 0.00 178.44 179.88 1shj h THR 163 N 0.82 0.02 -0.77 0.22 1.35 -1.48 -3.37 112.91 109.70 1shj h THR 163 Ca 0.13 -1.03 0.15 0.00 -0.55 0.00 0.00 66.41 65.11 1shj h THR 163 Cb 0.64 1.80 -0.10 0.00 -1.73 0.00 0.00 68.15 68.75 1shj h THR 163 CO 0.04 0.01 0.29 0.00 -0.25 0.00 0.00 175.52 175.61 1shj h ALA 164 N 1.98 1.08 -0.05 6.62 0.00 -1.32 -0.66 119.26 126.92 1shj h ALA 164 Ca -0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1shj h ALA 164 Cb 1.01 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1shj h ALA 164 CO 0.00 -0.25 0.27 0.45 0.00 0.00 0.00 179.25 179.72 1shj h HIS 165 N 0.41 0.00 -0.57 0.00 3.86 -1.76 -2.22 115.15 114.87 1shj h HIS 165 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1shj h HIS 165 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1shj h HIS 165 CO -0.18 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.80 1shj n PHE 166 N -3.07 1.98 -0.47 2.45 3.72 -0.26 -4.11 117.46 117.71 1shj n PHE 166 Ca -0.01 -0.73 -0.05 0.00 -0.05 0.00 0.00 57.45 56.61 1shj n PHE 166 Cb 0.33 -0.48 0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1shj n PHE 166 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1shj n ARG 167 N 0.60 -1.64 0.43 -1.08 5.12 -0.84 -4.67 116.66 114.58 1shj n ARG 167 Ca 0.27 -0.30 -0.20 0.00 -1.93 0.00 0.00 57.85 55.70 1shj n ARG 167 Cb 1.16 -0.30 -0.10 0.00 -1.16 0.00 0.00 32.46 32.07 1shj n ARG 167 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1shj h GLY 168 N -1.02 -1.29 0.67 -0.13 0.00 -1.92 -3.08 103.07 96.30 1shj h GLY 168 Ca -0.07 0.52 -0.13 0.00 0.00 0.00 0.00 47.33 47.65 1shj h GLY 168 CO 0.05 -0.44 -0.51 0.00 0.00 0.00 0.00 176.54 175.63 1shj h ALA 169 N -1.06 0.05 0.00 3.60 0.00 -1.97 -3.36 119.26 116.51 1shj h ALA 169 Ca -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1shj h ALA 169 Cb 0.94 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1shj h ALA 169 CO 0.11 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.18 1shj n ARG 170 N -4.30 0.09 -3.19 0.00 1.74 -1.24 -3.06 116.66 106.71 1shj n ARG 170 Ca -0.10 0.46 -0.20 0.00 -0.77 0.00 0.00 57.85 57.23 1shj n ARG 170 Cb 0.63 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1shj n ARG 170 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shj h LYS 172 N 3.34 0.25 -0.42 0.00 1.57 -1.70 0.16 116.57 119.76 1shj h LYS 172 Ca 0.09 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1shj h LYS 172 Cb 0.93 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1shj h LYS 172 CO 0.50 0.17 -0.11 1.79 -0.57 0.00 0.00 179.45 181.22 1shj h THR 173 N 0.26 1.26 -0.01 -0.16 1.35 -1.92 -2.93 112.91 110.76 1shj h THR 173 Ca 0.66 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1shj h THR 173 Cb 1.92 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1shj h THR 173 CO -0.31 0.40 -0.00 0.18 -0.25 0.00 0.00 175.52 175.54 1shj n LEU 174 N -4.17 0.92 -4.64 3.87 4.77 0.54 -4.68 117.00 113.62 1shj n LEU 174 Ca 0.01 -0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 1shj n LEU 174 Cb 0.36 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1shj n LEU 174 CO 0.43 0.15 0.69 0.18 -1.33 0.00 0.00 177.39 177.52 1shj n LEU 175 N -0.28 3.14 0.00 2.23 4.77 -1.11 -1.77 117.00 123.98 1shj n LEU 175 Ca 0.21 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 1shj n LEU 175 Cb 0.26 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1shj n LEU 175 CO 0.17 -1.18 0.00 -0.62 -1.33 0.00 0.00 177.39 174.43 1shj n GLU 176 N 0.09 -1.93 -5.03 3.23 1.02 -1.26 -4.95 120.64 111.80 1shj n GLU 176 Ca 0.09 0.48 -0.32 0.00 -0.02 0.00 0.00 57.16 57.39 1shj n GLU 176 Cb 0.39 -4.97 -0.14 0.00 -0.02 0.00 0.00 31.44 26.70 1shj n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1shj s LYS 177 N -1.96 2.26 0.24 3.49 1.02 -0.73 -4.94 119.74 119.13 1shj s LYS 177 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.84 1shj s LYS 177 Cb 0.00 -2.20 -0.12 0.00 -0.52 0.00 0.00 37.83 34.99 1shj s LYS 177 CO 0.00 0.58 1.66 -1.25 -0.92 0.00 0.00 175.35 175.42 1shj s PRO 178 N -0.79 4.13 -0.25 -1.68 0.04 -1.26 -4.87 135.00 130.31 1shj s PRO 178 Ca 0.11 2.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.66 1shj s PRO 178 Cb -0.10 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1shj s PRO 178 CO 0.00 -0.69 0.09 0.15 0.04 0.00 0.00 177.00 176.59 1shj s LYS 179 N 0.41 3.71 -0.22 4.56 3.01 0.28 -1.54 119.74 129.95 1shj s LYS 179 Ca 0.69 -0.45 -0.06 0.00 -1.01 0.00 0.00 55.97 55.14 1shj s LYS 179 Cb -0.49 -3.37 -0.03 0.00 -1.01 0.00 0.00 37.83 32.94 1shj s LYS 179 CO 0.39 -0.18 0.03 -0.51 0.51 0.00 0.00 175.35 175.59 1shj s LEU 180 N 1.61 3.35 -0.23 3.17 2.01 0.92 -1.87 118.68 127.64 1shj s LEU 180 Ca 0.06 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 54.03 1shj s LEU 180 Cb -0.15 -1.87 0.04 0.00 0.01 0.00 0.00 46.19 44.22 1shj s LEU 180 CO 0.05 0.04 -0.14 -0.36 1.01 0.00 0.00 176.35 176.94 1shj s PHE 181 N 1.18 3.07 -0.23 0.29 0.40 -0.08 0.09 117.98 122.70 1shj s PHE 181 Ca 0.04 -2.01 -0.05 0.00 -0.60 0.00 0.00 56.93 54.30 1shj s PHE 181 Cb -0.14 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1shj s PHE 181 CO 0.02 -0.84 0.01 -0.06 0.70 0.00 0.00 175.22 175.05 1shj s PHE 182 N 1.19 3.03 -0.10 0.36 0.40 -0.14 -0.81 117.98 121.92 1shj s PHE 182 Ca -0.03 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1shj s PHE 182 Cb -0.17 -2.15 0.01 0.00 0.51 0.00 0.00 43.02 41.22 1shj s PHE 182 CO -0.08 -0.40 -0.17 0.42 0.70 0.00 0.00 175.22 175.69 1shj s ILE 183 N 1.42 1.59 -0.46 0.64 1.01 0.21 -0.27 121.20 125.35 1shj s ILE 183 Ca 0.05 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1shj s ILE 183 Cb -0.15 -1.42 0.13 0.00 0.01 0.00 0.00 42.46 41.03 1shj s ILE 183 CO 0.01 0.46 0.22 -1.58 0.00 0.00 0.00 174.94 174.04 1shj s GLN 184 N 0.70 1.59 -0.22 2.79 2.00 -0.19 -1.33 119.66 125.00 1shj s GLN 184 Ca -0.12 -2.21 -0.09 0.00 -2.00 0.00 0.00 55.36 50.93 1shj s GLN 184 Cb -0.16 -2.86 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 1shj s GLN 184 CO 0.03 -1.10 0.12 0.00 -0.50 0.00 0.00 175.29 173.83 1shj s ALA 185 N 0.20 3.50 0.27 1.58 0.00 -0.88 -2.37 121.76 124.07 1shj s ALA 185 Ca 0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1shj s ALA 185 Cb -0.24 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 1shj s ALA 185 CO -0.02 -0.06 0.51 0.00 0.00 0.00 0.00 175.76 176.18 1shj n ARG 187 N -0.96 0.40 0.00 0.00 5.12 -1.26 0.83 116.66 120.79 1shj n ARG 187 Ca -0.03 -0.80 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 1shj n ARG 187 Cb 0.54 -0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.65 1shj n ARG 187 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1shj n GLY 188 N 2.75 0.96 3.78 -0.13 0.00 -1.26 -4.86 105.19 106.42 1shj n GLY 188 Ca 0.05 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1shj n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1shj s THR 189 N 0.00 1.84 0.00 2.61 2.01 -1.26 -4.65 115.64 116.19 1shj s THR 189 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1shj s THR 189 Cb 0.00 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1shj s THR 189 CO 0.00 0.00 0.00 1.21 -0.69 0.00 0.00 174.62 175.14 1shj n GLU 190 N -4.15 0.00 0.00 4.92 2.13 -1.24 -5.04 120.64 117.26 1shj n GLU 190 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1shj n GLU 190 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1shj n GLU 190 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1shj n PRO 209 N 0.00 2.38 -4.47 5.31 -0.05 -1.26 -5.00 135.00 131.90 1shj n PRO 209 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 63.50 63.22 1shj n PRO 209 Cb 0.00 -0.80 -0.10 0.00 -0.05 0.00 0.00 33.50 32.55 1shj n PRO 209 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1shj s ARG 210 N -1.59 1.65 0.01 0.54 0.52 -1.26 -5.06 118.95 113.77 1shj s ARG 210 Ca 0.00 -1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 53.35 1shj s ARG 210 Cb 0.00 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 1shj s ARG 210 CO 0.00 0.06 -0.00 1.52 0.02 0.00 0.00 175.30 176.89 1shj s TYR 211 N -2.89 0.19 -0.28 -0.53 -0.85 -1.26 -4.26 117.35 107.48 1shj s TYR 211 Ca 0.31 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.48 1shj s TYR 211 Cb 0.04 -0.14 0.06 0.00 0.38 0.00 0.00 41.96 42.29 1shj s TYR 211 CO 0.14 -0.17 -0.07 0.21 -1.52 0.00 0.00 175.55 174.14 1shj s LYS 212 N -1.22 2.25 -0.04 -3.49 2.36 -1.26 -5.04 119.74 113.30 1shj s LYS 212 Ca -0.13 -1.36 -0.30 0.00 -2.55 0.00 0.00 55.97 51.63 1shj s LYS 212 Cb -0.08 -3.00 -0.04 0.00 -1.05 0.00 0.00 37.83 33.66 1shj s LYS 212 CO -0.01 -0.61 1.32 0.42 1.55 0.00 0.00 175.35 178.02 1shj s ILE 213 N 1.13 3.97 0.44 5.43 1.01 -1.26 -4.84 121.20 127.08 1shj s ILE 213 Ca -0.07 1.31 -0.24 0.00 0.00 0.00 0.00 60.65 61.66 1shj s ILE 213 Cb -0.20 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 1shj s ILE 213 CO -0.04 -0.02 1.14 -2.16 0.00 0.00 0.00 174.94 173.87 1shj s PRO 214 N 2.51 3.89 -0.43 2.79 0.04 -1.26 -5.01 135.00 137.53 1shj s PRO 214 Ca 0.60 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1shj s PRO 214 Cb -0.28 -2.49 0.12 0.00 0.04 0.00 0.00 34.50 31.89 1shj s PRO 214 CO 0.24 -0.43 0.18 0.08 0.04 0.00 0.00 177.00 177.11 1shj s VAL 215 N -1.54 2.84 -0.02 -0.36 1.01 -1.26 -5.07 120.40 116.00 1shj s VAL 215 Ca 0.61 -2.49 -0.03 0.00 0.00 0.00 0.00 61.98 60.07 1shj s VAL 215 Cb -0.28 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1shj s VAL 215 CO 0.34 -0.70 0.07 -1.61 0.00 0.00 0.00 175.10 173.20 1shj s GLU 216 N 0.66 0.18 0.24 2.72 2.02 -1.26 -5.13 118.70 118.13 1shj s GLU 216 Ca 0.12 -0.08 -0.31 0.00 0.02 0.00 0.00 54.97 54.72 1shj s GLU 216 Cb -0.22 0.08 -0.14 0.00 0.10 0.00 0.00 34.13 33.95 1shj s GLU 216 CO -0.05 -0.03 1.23 0.00 0.02 0.00 0.00 175.26 176.43 1shj n ALA 217 N 2.58 0.24 -1.46 5.21 0.00 -1.26 -2.88 120.51 122.93 1shj n ALA 217 Ca -0.16 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 1shj n ALA 217 Cb 0.58 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 1shj n ALA 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1shj n ASP 218 N 1.79 -3.15 -4.79 0.00 8.00 -0.10 -4.90 116.55 113.39 1shj n ASP 218 Ca 0.12 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 1shj n ASP 218 Cb 0.30 -1.57 -0.07 0.00 -0.02 0.00 0.00 41.12 39.76 1shj n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1shj s PHE 219 N -2.21 3.28 -0.03 1.24 0.40 -1.14 -0.56 117.98 118.96 1shj s PHE 219 Ca 0.00 0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1shj s PHE 219 Cb 0.00 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.83 1shj s PHE 219 CO 0.00 0.55 0.07 -1.17 0.70 0.00 0.00 175.22 175.37 1shj s LEU 220 N -1.87 1.44 -0.02 -0.37 0.20 -0.78 -0.65 118.68 116.62 1shj s LEU 220 Ca 0.24 0.14 0.08 0.00 0.69 0.00 0.00 54.13 55.28 1shj s LEU 220 Cb -0.12 0.19 -0.02 0.00 -0.43 0.00 0.00 46.19 45.81 1shj s LEU 220 CO 0.16 -0.07 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.55 1shj s PHE 221 N 0.43 2.18 -0.31 5.38 0.40 -0.07 -0.90 117.98 125.09 1shj s PHE 221 Ca -0.03 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1shj s PHE 221 Cb -0.05 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.18 1shj s PHE 221 CO -0.02 -0.03 0.04 0.00 0.70 0.00 0.00 175.22 175.91 1shj s ALA 222 N -0.58 2.38 -0.05 5.36 0.00 0.01 -0.71 121.76 128.18 1shj s ALA 222 Ca 0.09 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 49.94 1shj s ALA 222 Cb -0.09 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1shj s ALA 222 CO -0.01 -1.59 0.08 -0.47 0.00 0.00 0.00 175.76 173.78 1shj s TYR 223 N 1.17 3.34 0.05 0.00 5.04 -0.68 -0.62 117.35 125.66 1shj s TYR 223 Ca 0.07 0.28 -0.08 0.00 -2.44 0.00 0.00 57.07 54.90 1shj s TYR 223 Cb -0.19 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.33 1shj s TYR 223 CO -0.12 0.58 0.17 0.45 -1.34 0.00 0.00 175.55 175.28 1shj s SER 224 N -1.42 0.10 0.03 4.32 0.15 -0.44 -1.87 113.70 114.57 1shj s SER 224 Ca 0.19 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1shj s SER 224 Cb -0.12 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1shj s SER 224 CO 0.10 -0.60 -0.07 -0.89 1.20 0.00 0.00 173.24 172.98 1shj s THR 225 N -3.03 0.46 0.00 6.45 2.01 -1.26 -2.07 115.64 118.20 1shj s THR 225 Ca -0.01 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1shj s THR 225 Cb 0.01 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1shj s THR 225 CO -0.06 -0.29 0.00 0.52 -0.69 0.00 0.00 174.62 174.10 1shj n VAL 226 N 1.81 0.00 0.00 3.82 0.31 -1.26 -4.78 118.33 118.23 1shj n VAL 226 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1shj n VAL 226 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1shj n VAL 226 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1shj n ARG 237 N 0.00 0.00 -0.37 5.55 1.85 -1.26 -5.04 116.66 117.38 1shj n ARG 237 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1shj n ARG 237 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1shj n ARG 237 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1shj n GLY 238 N -0.14 0.65 3.75 2.89 0.00 -1.26 -4.83 105.19 106.25 1shj n GLY 238 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 1shj n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1shj s SER 239 N -1.00 5.22 0.26 1.61 1.04 -1.26 -4.79 113.70 114.77 1shj s SER 239 Ca 0.00 2.67 -0.05 0.00 0.48 0.00 0.00 55.95 59.04 1shj s SER 239 Cb 0.00 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.78 1shj s SER 239 CO 0.00 -1.59 1.93 -0.50 0.98 0.00 0.00 173.24 174.06 1shj h TRP 240 N 1.30 1.24 0.77 5.02 6.55 -1.98 0.12 115.95 128.96 1shj h TRP 240 Ca -0.51 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.32 1shj h TRP 240 Cb 1.30 -0.42 0.01 0.00 -0.86 0.00 0.00 29.16 29.19 1shj h TRP 240 CO 0.46 0.78 -0.37 0.35 -1.05 0.00 0.00 178.44 178.61 1shj h PHE 241 N 1.33 -0.95 -0.27 0.49 3.57 -1.94 -1.76 116.94 117.41 1shj h PHE 241 Ca 0.36 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.88 1shj h PHE 241 Cb -0.15 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1shj h PHE 241 CO -0.00 -0.58 0.06 0.28 -2.23 0.00 0.00 178.31 175.84 1shj h VAL 242 N -1.10 0.89 -0.36 1.41 2.07 -1.87 0.43 116.25 117.71 1shj h VAL 242 Ca -0.11 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1shj h VAL 242 Cb 0.80 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1shj h VAL 242 CO 0.17 0.03 -0.09 -0.61 0.02 0.00 0.00 177.57 177.09 1shj h GLN 243 N 0.17 -0.00 -0.61 1.57 4.15 -0.81 -2.22 115.11 117.36 1shj h GLN 243 Ca 0.12 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1shj h GLN 243 Cb 0.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1shj h GLN 243 CO -0.15 -0.00 0.13 0.00 -1.93 0.00 0.00 178.83 176.87 1shj h ALA 244 N 1.35 0.81 -0.89 3.38 0.00 -0.54 -1.53 119.26 121.84 1shj h ALA 244 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1shj h ALA 244 Cb 0.27 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1shj h ALA 244 CO -0.37 0.53 0.58 1.25 0.00 0.00 0.00 179.25 181.24 1shj h LEU 245 N 0.90 0.96 0.01 0.00 5.85 -0.56 -1.40 115.31 121.06 1shj h LEU 245 Ca 0.19 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1shj h LEU 245 Cb 0.38 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1shj h LEU 245 CO 0.01 0.65 -0.00 0.00 -0.34 0.00 0.00 178.44 178.75 1shj h SER 247 N -0.59 0.00 -0.19 0.00 0.87 -1.02 0.38 113.55 113.00 1shj h SER 247 Ca -0.00 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1shj h SER 247 Cb 0.58 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1shj h SER 247 CO 0.00 0.02 -0.24 0.40 -0.53 0.00 0.00 176.83 176.48 1shj h ILE 248 N 0.24 1.34 -0.44 2.23 1.08 -1.34 -3.10 117.51 117.53 1shj h ILE 248 Ca 0.27 -1.44 -0.09 0.00 -0.39 0.00 0.00 64.86 63.21 1shj h ILE 248 Cb 0.38 1.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 1shj h ILE 248 CO -0.35 0.44 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.40 1shj h LEU 249 N 0.15 0.83 -1.95 1.44 3.38 -0.97 0.63 115.31 118.81 1shj h LEU 249 Ca 0.02 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1shj h LEU 249 Cb 0.81 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1shj h LEU 249 CO 0.06 0.98 0.51 -0.08 0.09 0.00 0.00 178.44 180.00 1shj h GLU 250 N 0.66 0.00 0.00 1.13 4.57 -0.31 0.83 114.58 121.46 1shj h GLU 250 Ca 0.11 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.14 1shj h GLU 250 Cb 0.61 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 1shj h GLU 250 CO 0.04 0.00 -1.59 -1.91 -1.18 0.00 0.00 179.01 174.37 1shj n GLU 251 N -3.90 1.76 0.00 1.92 4.07 -0.71 -4.68 120.64 119.11 1shj n GLU 251 Ca 0.11 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1shj n GLU 251 Cb 0.73 -1.22 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1shj n GLU 251 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1shj n HIS 252 N -2.50 0.00 0.23 4.31 8.25 0.21 -4.82 115.22 120.90 1shj n HIS 252 Ca -0.16 -0.20 0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1shj n HIS 252 Cb 0.75 -0.02 0.86 0.00 1.12 0.00 0.00 29.99 32.70 1shj n HIS 252 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1shj h GLY 253 N 0.00 0.00 0.05 -1.41 0.00 -0.89 -1.23 103.07 99.58 1shj h GLY 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1shj h GLY 253 CO 0.00 0.00 -1.63 0.28 0.00 0.00 0.00 176.54 175.19 1shj n LYS 254 N -3.59 0.44 -0.00 4.80 4.01 -1.26 -3.94 118.16 118.62 1shj n LYS 254 Ca 0.01 -0.12 0.02 0.00 -0.51 0.00 0.00 58.31 57.71 1shj n LYS 254 Cb 0.34 -1.52 -0.02 0.00 -0.51 0.00 0.00 35.03 33.31 1shj n LYS 254 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1shj n ASP 255 N -2.02 1.36 -4.62 4.39 5.75 -0.77 -4.65 116.55 115.99 1shj n ASP 255 Ca -0.01 -0.41 -0.30 0.00 -0.01 0.00 0.00 54.79 54.05 1shj n ASP 255 Cb 0.49 1.05 -0.09 0.00 -1.03 0.00 0.00 41.12 41.54 1shj n ASP 255 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1shj s LEU 256 N -2.49 3.22 0.34 -2.12 1.43 -0.54 -5.11 118.68 113.42 1shj s LEU 256 Ca 0.01 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 1shj s LEU 256 Cb 0.03 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 1shj s LEU 256 CO 0.15 0.20 1.08 -0.70 0.23 0.00 0.00 176.35 177.31 1shj s GLU 257 N -2.07 4.39 0.29 1.70 -6.30 -1.26 -4.64 118.70 110.81 1shj s GLU 257 Ca 0.22 1.67 -0.01 0.00 -2.50 0.00 0.00 54.97 54.36 1shj s GLU 257 Cb -0.11 -2.87 0.65 0.00 0.00 0.00 0.00 34.13 31.80 1shj s GLU 257 CO 0.14 0.02 1.50 1.51 0.02 0.00 0.00 175.26 178.45 1shj n ILE 258 N 0.56 -0.40 -0.29 -3.70 0.13 0.12 -0.88 119.36 114.89 1shj n ILE 258 Ca 0.02 2.13 -0.05 0.00 -1.10 0.00 0.00 62.75 63.75 1shj n ILE 258 Cb 0.47 -3.06 0.07 0.00 -0.84 0.00 0.00 39.64 36.28 1shj n ILE 258 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1shj h MET 259 N 0.00 1.12 -0.50 9.51 2.86 -1.92 -1.79 114.93 124.20 1shj h MET 259 Ca 0.55 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 58.07 1shj h MET 259 Cb 1.05 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1shj h MET 259 CO -0.92 0.84 0.30 1.96 1.06 0.00 0.00 176.91 180.14 1shj h GLN 260 N 1.11 0.57 0.66 1.72 4.20 -1.39 -0.82 115.11 121.17 1shj h GLN 260 Ca 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1shj h GLN 260 Cb 0.06 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1shj h GLN 260 CO -0.04 0.38 -0.41 0.82 -0.67 0.00 0.00 178.83 178.91 1shj h ILE 261 N 0.59 0.17 -0.68 2.54 1.08 -1.25 -0.79 117.51 119.17 1shj h ILE 261 Ca 0.20 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.77 1shj h ILE 261 Cb 0.03 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 33.91 1shj h ILE 261 CO -0.10 0.00 0.45 -0.07 -0.69 0.00 0.00 178.15 177.75 1shj h LEU 262 N -1.01 0.50 -0.02 1.44 3.38 -1.27 0.57 115.31 118.90 1shj h LEU 262 Ca -0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1shj h LEU 262 Cb 0.82 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1shj h LEU 262 CO 0.09 0.30 0.00 0.74 0.09 0.00 0.00 178.44 179.66 1shj h THR 263 N 0.56 1.20 -0.86 0.22 2.02 -0.90 0.14 112.91 115.29 1shj h THR 263 Ca 0.31 -0.60 0.10 0.00 0.77 0.00 0.00 66.41 66.99 1shj h THR 263 Cb 0.48 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 1shj h THR 263 CO -0.10 0.16 0.56 0.03 0.37 0.00 0.00 175.52 176.53 1shj h ARG 264 N -0.21 0.80 0.18 6.66 3.08 0.12 0.65 114.38 125.66 1shj h ARG 264 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1shj h ARG 264 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1shj h ARG 264 CO 0.00 0.53 -0.08 0.28 -1.07 0.00 0.00 179.97 179.63 1shj h VAL 265 N 0.83 0.91 -0.56 2.04 2.07 -0.64 -0.31 116.25 120.59 1shj h VAL 265 Ca 0.40 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1shj h VAL 265 Cb 0.43 1.15 -0.11 0.00 -1.52 0.00 0.00 31.29 31.24 1shj h VAL 265 CO -0.17 0.09 -0.15 0.78 0.02 0.00 0.00 177.57 178.15 1shj h ASN 266 N -0.42 -0.54 -0.22 0.57 4.21 0.11 -1.22 115.58 118.07 1shj h ASN 266 Ca -0.02 0.17 0.04 0.00 1.21 0.00 0.00 56.30 57.69 1shj h ASN 266 Cb 0.33 0.35 -0.04 0.00 -1.12 0.00 0.00 38.32 37.85 1shj h ASN 266 CO 0.04 -0.19 -0.02 -0.78 -1.29 0.00 0.00 177.43 175.19 1shj h ASP 267 N -0.01 -0.12 -0.44 5.81 3.58 -0.82 -2.52 116.42 121.90 1shj h ASP 267 Ca 0.27 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.80 1shj h ASP 267 Cb 0.42 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 1shj h ASP 267 CO -0.58 -0.03 0.23 -0.09 -2.88 0.00 0.00 179.24 175.88 1shj h ARG 268 N 0.04 0.44 -0.07 0.28 9.65 0.09 -1.92 114.38 122.89 1shj h ARG 268 Ca 0.10 -0.03 -0.17 0.00 -1.10 0.00 0.00 59.98 58.78 1shj h ARG 268 Cb 0.14 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1shj h ARG 268 CO -0.19 0.29 -0.70 -0.39 2.80 0.00 0.00 179.97 181.78 1shj h VAL 269 N 0.46 1.39 -0.16 0.20 -1.51 -1.32 -3.12 116.25 112.19 1shj h VAL 269 Ca 0.19 -2.12 0.05 0.00 -1.23 0.00 0.00 66.70 63.58 1shj h VAL 269 Cb 0.08 2.10 -0.05 0.00 -2.13 0.00 0.00 31.29 31.29 1shj h VAL 269 CO -0.12 0.63 -0.15 0.00 -1.23 0.00 0.00 177.57 176.71 1shj h ALA 270 N 1.01 -0.04 -1.26 5.19 0.00 -1.08 -2.26 119.26 120.82 1shj h ALA 270 Ca -0.02 0.06 0.43 0.00 0.00 0.00 0.00 54.91 55.38 1shj h ALA 270 Cb 1.26 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 1shj h ALA 270 CO 0.12 -0.59 0.79 0.00 0.00 0.00 0.00 179.25 179.57 1shj h ARG 271 N -0.16 0.08 -0.09 0.00 3.08 -1.29 -2.17 114.38 113.81 1shj h ARG 271 Ca 0.10 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1shj h ARG 271 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1shj h ARG 271 CO -0.26 0.05 0.01 0.45 -1.07 0.00 0.00 179.97 179.15 1shj h HIS 272 N 0.08 0.13 -1.49 3.04 3.86 -1.49 -3.52 115.15 115.76 1shj h HIS 272 Ca 0.83 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 60.04 1shj h HIS 272 Cb 2.50 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 30.93 1shj h HIS 272 CO -0.01 0.13 0.00 1.19 0.86 0.00 0.00 177.93 180.11 1shj n PHE 273 N -4.46 -0.44 0.00 2.45 3.01 -0.82 -5.18 117.46 112.02 1shj n PHE 273 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1shj n PHE 273 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1shj n PHE 273 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1shj n LYS 285 N -0.11 0.00 -2.04 -1.08 5.02 -1.26 -5.11 118.16 113.58 1shj n LYS 285 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1shj n LYS 285 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1shj n LYS 285 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1shj s LYS 286 N 0.00 4.08 0.20 1.97 1.02 -1.26 -5.01 119.74 120.74 1shj s LYS 286 Ca 0.00 2.06 0.09 0.00 0.02 0.00 0.00 55.97 58.14 1shj s LYS 286 Cb 0.00 -4.00 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 1shj s LYS 286 CO 0.00 -0.96 -0.18 -0.65 -0.92 0.00 0.00 175.35 172.64 1shj s GLN 287 N 4.20 1.39 -0.12 1.68 -1.52 -1.26 -5.16 119.66 118.88 1shj s GLN 287 Ca 0.73 -1.55 -0.13 0.00 -1.95 0.00 0.00 55.36 52.46 1shj s GLN 287 Cb -0.31 -1.40 0.03 0.00 -0.22 0.00 0.00 33.01 31.11 1shj s GLN 287 CO 0.29 0.27 0.35 -1.50 -0.25 0.00 0.00 175.29 174.45 1shj s ILE 288 N -2.39 0.01 0.77 1.08 2.07 -1.26 -4.64 121.20 116.83 1shj s ILE 288 Ca 0.21 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 1shj s ILE 288 Cb -0.04 -0.51 0.06 0.00 0.13 0.00 0.00 42.46 42.09 1shj s ILE 288 CO 0.09 -0.03 1.08 -2.84 -1.91 0.00 0.00 174.94 171.33 1shj s PRO 289 N 0.02 2.27 0.09 3.50 0.02 -1.26 -4.78 135.00 134.86 1shj s PRO 289 Ca -0.01 1.05 0.05 0.00 0.02 0.00 0.00 61.00 62.10 1shj s PRO 289 Cb -0.03 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 1shj s PRO 289 CO 0.01 -1.60 -0.13 0.00 -0.33 0.00 0.00 177.00 174.95 1shj s VAL 291 N -1.90 2.77 -0.32 0.00 1.01 -1.26 -1.69 120.40 119.01 1shj s VAL 291 Ca 0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1shj s VAL 291 Cb -0.06 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1shj s VAL 291 CO 0.02 0.48 0.19 -0.69 0.00 0.00 0.00 175.10 175.09 1shj s VAL 292 N 1.37 4.90 -0.22 2.92 1.01 0.11 -4.97 120.40 125.51 1shj s VAL 292 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1shj s VAL 292 Cb -0.14 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1shj s VAL 292 CO -0.07 0.06 -0.06 -0.55 0.00 0.00 0.00 175.10 174.47 1shj s SER 293 N 1.67 4.17 -0.23 3.32 0.15 -1.26 -0.89 113.70 120.62 1shj s SER 293 Ca 0.05 -0.56 0.14 0.00 0.70 0.00 0.00 55.95 56.28 1shj s SER 293 Cb -0.17 -1.69 0.56 0.00 -1.71 0.00 0.00 66.02 63.01 1shj s SER 293 CO 0.08 -0.05 1.50 0.23 1.20 0.00 0.00 173.24 176.20 1shj n MET 294 N 4.74 2.79 -1.70 5.44 2.81 0.17 -5.03 117.12 126.35 1shj n MET 294 Ca -0.18 -2.97 -0.35 0.00 -1.81 0.00 0.00 57.70 52.38 1shj n MET 294 Cb 0.50 -1.91 0.07 0.00 -0.71 0.00 0.00 33.22 31.17 1shj n MET 294 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1shj s LEU 295 N -2.97 3.49 0.00 4.03 1.43 -1.20 -0.92 118.68 122.54 1shj s LEU 295 Ca 0.45 2.43 0.10 0.00 -1.03 0.00 0.00 54.13 56.08 1shj s LEU 295 Cb 0.38 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 1shj s LEU 295 CO 0.07 -1.97 0.62 0.35 0.23 0.00 0.00 176.35 175.65 1shj n THR 296 N -2.15 0.00 -4.12 5.49 -2.24 -1.26 -4.79 114.28 105.20 1shj n THR 296 Ca 0.14 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 1shj n THR 296 Cb 0.50 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 1shj n THR 296 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1shj s LYS 297 N -1.42 1.74 0.25 -0.78 -0.14 -1.26 -5.01 119.74 113.12 1shj s LYS 297 Ca 0.08 -1.72 -0.23 0.00 -1.36 0.00 0.00 55.97 52.74 1shj s LYS 297 Cb 0.08 0.40 -0.09 0.00 -1.68 0.00 0.00 37.83 36.55 1shj s LYS 297 CO 0.27 -0.69 0.82 -1.21 -0.76 0.00 0.00 175.35 173.77 1shj s GLU 298 N -3.40 4.44 -0.22 1.68 2.02 0.93 -4.79 118.70 119.36 1shj s GLU 298 Ca 0.32 1.09 -0.00 0.00 0.02 0.00 0.00 54.97 56.40 1shj s GLU 298 Cb 0.01 -2.92 0.02 0.00 0.10 0.00 0.00 34.13 31.34 1shj s GLU 298 CO 0.19 0.39 -0.12 -1.17 0.02 0.00 0.00 175.26 174.57 1shj s LEU 299 N -1.85 2.73 0.09 1.80 2.96 -1.26 -1.00 118.68 122.16 1shj s LEU 299 Ca 0.44 -0.75 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1shj s LEU 299 Cb -0.19 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1shj s LEU 299 CO 0.23 -0.06 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.67 1shj s TYR 300 N 1.32 1.91 -0.31 5.38 2.02 -1.26 0.13 117.35 126.54 1shj s TYR 300 Ca 0.02 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1shj s TYR 300 Cb -0.15 -1.07 0.44 0.00 -0.40 0.00 0.00 41.96 40.78 1shj s TYR 300 CO -0.08 0.20 1.57 1.19 -1.57 0.00 0.00 175.55 176.86 1shj n PHE 301 N 1.27 1.95 -4.07 2.71 3.72 -1.25 -4.93 117.46 116.86 1shj n PHE 301 Ca -0.19 -1.30 -0.14 0.00 -0.05 0.00 0.00 57.45 55.78 1shj n PHE 301 Cb 0.53 -0.68 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 1shj n PHE 301 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1shj n SER 302 N -0.49 -0.99 0.00 4.37 3.41 -1.26 -4.90 113.62 113.76 1shj n SER 302 Ca 0.37 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1shj n SER 302 Cb 1.23 1.94 0.00 0.00 -0.26 0.00 0.00 64.21 67.12 1shj n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88