#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shl n TYR 58 N 0.00 0.16 -4.15 1.09 0.53 -1.26 -4.96 117.16 108.58 1shl n TYR 58 Ca 0.00 -0.10 -0.14 0.00 -1.02 0.00 0.00 57.90 56.63 1shl n TYR 58 Cb 0.00 -0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.20 1shl n TYR 58 CO 0.00 0.00 0.00 1.14 -1.02 0.00 0.00 176.86 176.98 1shl s GLN 59 N -1.43 0.76 0.24 -0.72 -2.07 -1.26 -1.16 119.66 114.02 1shl s GLN 59 Ca 0.25 -1.06 -0.31 0.00 -1.82 0.00 0.00 55.36 52.43 1shl s GLN 59 Cb 0.16 -0.47 -0.11 0.00 -1.09 0.00 0.00 33.01 31.50 1shl s GLN 59 CO 0.24 0.07 1.58 0.71 -1.32 0.00 0.00 175.29 176.57 1shl s TYR 60 N -2.18 2.90 0.06 9.60 2.02 -0.24 -4.80 117.35 124.71 1shl s TYR 60 Ca 0.02 0.72 -0.31 0.00 -0.37 0.00 0.00 57.07 57.13 1shl s TYR 60 Cb -0.05 -4.00 -0.08 0.00 -0.40 0.00 0.00 41.96 37.43 1shl s TYR 60 CO -0.00 -3.50 1.65 1.21 -1.57 0.00 0.00 175.55 173.34 1shl s ASN 61 N 0.73 6.61 0.00 2.29 2.47 -1.26 -4.84 114.94 120.94 1shl s ASN 61 Ca 0.66 2.46 0.07 0.00 0.42 0.00 0.00 52.86 56.47 1shl s ASN 61 Cb -0.46 -2.56 0.18 0.00 -1.45 0.00 0.00 41.25 36.96 1shl s ASN 61 CO 0.40 -0.89 1.12 0.23 -3.72 0.00 0.00 177.10 174.24 1shl n MET 62 N 5.78 2.62 -2.27 0.43 2.81 -1.26 -4.86 117.12 120.37 1shl n MET 62 Ca 0.16 -1.76 -0.43 0.00 -1.81 0.00 0.00 57.70 53.86 1shl n MET 62 Cb 0.41 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 1shl n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1shl n ASN 63 N 0.18 4.59 -4.30 7.83 2.85 -1.26 -4.90 115.26 120.25 1shl n ASN 63 Ca 0.07 -2.92 -0.16 0.00 -0.11 0.00 0.00 54.58 51.46 1shl n ASN 63 Cb 0.34 -1.66 -0.10 0.00 1.24 0.00 0.00 39.78 39.60 1shl n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1shl s PHE 64 N 3.07 1.47 0.36 1.20 0.40 -1.26 -5.03 117.98 118.18 1shl s PHE 64 Ca 0.48 -0.69 0.14 0.00 -0.60 0.00 0.00 56.93 56.26 1shl s PHE 64 Cb 0.08 -0.72 0.98 0.00 0.51 0.00 0.00 43.02 43.86 1shl s PHE 64 CO -0.00 0.19 1.75 1.49 0.70 0.00 0.00 175.22 179.35 1shl h GLU 65 N 2.67 0.49 -3.91 0.44 4.81 -1.84 -3.43 114.58 113.81 1shl h GLU 65 Ca -0.37 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.69 1shl h GLU 65 Cb 1.20 -0.11 -0.18 0.00 0.63 0.00 0.00 28.75 30.30 1shl h GLU 65 CO 0.63 0.32 -0.58 -1.59 -0.73 0.00 0.00 179.01 177.06 1shl s LYS 66 N -5.64 0.54 0.21 1.92 -2.85 -0.51 -5.05 119.74 108.37 1shl s LYS 66 Ca -0.10 -0.81 -0.09 0.00 -1.00 0.00 0.00 55.97 53.97 1shl s LYS 66 Cb 0.26 0.21 0.17 0.00 -2.06 0.00 0.00 37.83 36.40 1shl s LYS 66 CO 0.80 -0.12 1.85 1.25 0.10 0.00 0.00 175.35 179.22 1shl h LEU 67 N 3.75 0.96 0.00 2.77 6.46 -1.84 -0.87 115.31 126.55 1shl h LEU 67 Ca -0.33 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1shl h LEU 67 Cb 1.18 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1shl h LEU 67 CO 0.51 0.75 0.00 0.61 -0.62 0.00 0.00 178.44 179.70 1shl n GLY 68 N -1.17 0.78 3.83 3.75 0.00 -1.26 -0.94 105.19 110.18 1shl n GLY 68 Ca 0.08 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1shl n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1shl s LYS 69 N -0.93 4.16 -0.26 1.61 2.20 -1.25 -1.62 119.74 123.65 1shl s LYS 69 Ca 0.00 0.86 -0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1shl s LYS 69 Cb 0.00 -2.56 0.08 0.00 -1.51 0.00 0.00 37.83 33.83 1shl s LYS 69 CO 0.00 0.21 0.02 0.00 -0.36 0.00 0.00 175.35 175.22 1shl s ILE 71 N 1.50 5.12 -0.20 0.00 -1.09 -0.32 -1.80 121.20 124.41 1shl s ILE 71 Ca 0.02 0.82 -0.05 0.00 -2.23 0.00 0.00 60.65 59.20 1shl s ILE 71 Cb -0.18 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1shl s ILE 71 CO -0.12 0.15 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.10 1shl s ILE 72 N 1.94 3.86 -0.29 2.92 1.01 -0.29 0.51 121.20 130.85 1shl s ILE 72 Ca 0.20 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1shl s ILE 72 Cb -0.15 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.58 1shl s ILE 72 CO 0.09 0.43 0.07 -0.63 0.00 0.00 0.00 174.94 174.90 1shl s ILE 73 N 1.04 3.91 -0.53 2.92 1.01 0.12 -0.65 121.20 129.02 1shl s ILE 73 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1shl s ILE 73 Cb -0.14 -3.00 0.14 0.00 0.01 0.00 0.00 42.46 39.46 1shl s ILE 73 CO 0.01 0.10 0.35 0.21 0.00 0.00 0.00 174.94 175.62 1shl s ASN 74 N 1.49 5.35 -0.44 3.58 3.04 0.10 -1.35 114.94 126.71 1shl s ASN 74 Ca 0.03 -2.43 -0.16 0.00 0.04 0.00 0.00 52.86 50.33 1shl s ASN 74 Cb -0.17 -1.87 0.04 0.00 -1.54 0.00 0.00 41.25 37.70 1shl s ASN 74 CO 0.02 -0.48 0.41 0.20 -3.04 0.00 0.00 177.10 174.21 1shl s ASN 75 N 1.39 6.16 -0.24 -4.21 0.01 -0.39 -1.03 114.94 116.64 1shl s ASN 75 Ca 0.12 -0.92 -0.12 0.00 -0.71 0.00 0.00 52.86 51.24 1shl s ASN 75 Cb -0.22 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.14 1shl s ASN 75 CO -0.04 -0.59 -0.30 1.17 -1.51 0.00 0.00 177.10 175.83 1shl n LYS 76 N 5.45 0.50 -4.14 -0.60 4.81 -1.26 -4.54 118.16 118.37 1shl n LYS 76 Ca -0.09 0.22 -0.35 0.00 -0.87 0.00 0.00 58.31 57.21 1shl n LYS 76 Cb 0.46 -1.33 -0.09 0.00 0.02 0.00 0.00 35.03 34.09 1shl n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1shl s ASN 77 N -7.11 5.60 0.07 3.14 0.01 -1.26 -1.65 114.94 113.73 1shl s ASN 77 Ca -0.33 0.18 0.07 0.00 -0.71 0.00 0.00 52.86 52.07 1shl s ASN 77 Cb 0.13 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.97 1shl s ASN 77 CO 0.41 0.30 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.76 1shl s PHE 78 N -0.42 1.65 0.24 2.20 0.40 -1.26 -4.77 117.98 116.02 1shl s PHE 78 Ca 0.09 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.71 1shl s PHE 78 Cb -0.12 -0.94 -0.11 0.00 0.51 0.00 0.00 43.02 42.36 1shl s PHE 78 CO 0.02 0.13 1.63 -0.51 0.70 0.00 0.00 175.22 177.19 1shl s ASP 79 N -1.57 6.42 0.35 1.36 1.01 -0.31 -4.87 116.67 119.07 1shl s ASP 79 Ca 0.05 2.85 0.17 0.00 0.71 0.00 0.00 52.55 56.33 1shl s ASP 79 Cb -0.09 -2.61 1.21 0.00 1.01 0.00 0.00 42.92 42.43 1shl s ASP 79 CO 0.03 -0.91 1.61 0.11 0.21 0.00 0.00 175.17 176.21 1shl h LYS 80 N 5.92 0.10 -0.65 8.23 1.57 -1.90 -0.17 116.57 129.68 1shl h LYS 80 Ca -0.45 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.51 1shl h LYS 80 Cb 1.21 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1shl h LYS 80 CO 0.88 0.07 0.46 0.28 -0.57 0.00 0.00 179.45 180.56 1shl h VAL 81 N 0.10 0.68 0.00 0.50 2.07 -1.95 -1.66 116.25 115.99 1shl h VAL 81 Ca 0.79 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.31 1shl h VAL 81 Cb 1.98 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1shl h VAL 81 CO -0.73 0.00 -0.04 0.35 0.02 0.00 0.00 177.57 177.17 1shl n THR 82 N -4.34 0.43 -1.13 2.57 -2.24 -0.07 -4.91 114.28 104.58 1shl n THR 82 Ca 0.12 -0.21 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1shl n THR 82 Cb 0.72 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1shl n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shl n GLY 83 N 1.36 0.66 3.87 3.38 0.00 -0.63 -5.00 105.19 108.83 1shl n GLY 83 Ca 0.06 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1shl n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shl s MET 84 N -1.79 3.62 0.71 1.61 -1.94 -1.26 -5.11 119.30 115.14 1shl s MET 84 Ca 0.00 0.05 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 1shl s MET 84 Cb 0.00 -3.18 0.13 0.00 2.01 0.00 0.00 34.83 33.80 1shl s MET 84 CO 0.00 0.73 0.98 0.20 -0.01 0.00 0.00 175.02 176.91 1shl s GLY 85 N -1.18 1.75 0.33 -0.03 0.00 -1.26 -4.68 107.32 102.24 1shl s GLY 85 Ca 0.20 -1.88 -0.29 0.00 0.00 0.00 0.00 44.72 42.75 1shl s GLY 85 CO 0.09 -1.30 1.52 0.14 0.00 0.00 0.00 173.10 173.56 1shl s VAL 86 N -3.09 2.14 -1.14 1.40 1.01 -1.26 -4.66 120.40 114.80 1shl s VAL 86 Ca 0.66 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 1shl s VAL 86 Cb -0.05 -3.08 0.26 0.00 0.00 0.00 0.00 36.38 33.51 1shl s VAL 86 CO 0.44 0.03 1.26 0.54 0.00 0.00 0.00 175.10 177.36 1shl n ARG 87 N 1.37 3.64 -2.00 2.72 1.74 -0.66 -5.03 116.66 118.44 1shl n ARG 87 Ca 0.04 -4.32 -0.40 0.00 -0.77 0.00 0.00 57.85 52.40 1shl n ARG 87 Cb 0.39 -2.65 -0.01 0.00 -1.02 0.00 0.00 32.46 29.17 1shl n ARG 87 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1shl s ASN 88 N 1.18 6.45 0.00 0.55 0.01 -1.26 -2.74 114.94 119.13 1shl s ASN 88 Ca 0.34 2.78 0.00 0.00 -0.71 0.00 0.00 52.86 55.26 1shl s ASN 88 Cb -0.06 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.95 1shl s ASN 88 CO -0.04 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.39 1shl n GLY 89 N 0.66 2.10 0.24 0.66 0.00 -1.26 -4.94 105.19 102.65 1shl n GLY 89 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 1shl n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shl h THR 90 N 0.00 1.22 -0.90 2.61 1.03 -1.92 -2.32 112.91 112.63 1shl h THR 90 Ca 0.00 -1.02 0.03 0.00 -0.01 0.00 0.00 66.41 65.41 1shl h THR 90 Cb 0.00 1.26 -0.05 0.00 -1.07 0.00 0.00 68.15 68.29 1shl h THR 90 CO 0.00 0.32 0.59 0.44 -0.01 0.00 0.00 175.52 176.86 1shl h ASP 91 N 0.33 0.99 -0.82 0.00 3.32 -1.92 0.19 116.42 118.50 1shl h ASP 91 Ca 0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1shl h ASP 91 Cb 0.50 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1shl h ASP 91 CO 0.03 0.68 0.35 0.50 -1.72 0.00 0.00 179.24 179.09 1shl h LYS 92 N 1.15 1.21 0.45 3.56 1.63 -1.85 -0.84 116.57 121.89 1shl h LYS 92 Ca 0.35 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1shl h LYS 92 Cb -0.02 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.41 1shl h LYS 92 CO -0.11 0.96 -0.22 -0.44 -3.45 0.00 0.00 179.45 176.19 1shl h ASP 93 N 1.19 -0.52 -1.00 4.20 3.32 -1.11 -1.92 116.42 120.57 1shl h ASP 93 Ca 0.28 -0.05 0.18 0.00 0.02 0.00 0.00 57.03 57.46 1shl h ASP 93 Cb 0.18 0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.76 1shl h ASP 93 CO -0.03 -0.26 0.62 0.00 -1.72 0.00 0.00 179.24 177.85 1shl h ALA 94 N -0.28 1.66 0.03 3.45 0.00 -0.47 -0.72 119.26 122.94 1shl h ALA 94 Ca -0.06 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1shl h ALA 94 Cb 0.54 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1shl h ALA 94 CO 0.10 -0.02 -0.71 1.49 0.00 0.00 0.00 179.25 180.11 1shl h GLU 95 N 0.79 0.43 -0.77 0.00 4.22 -1.09 -2.17 114.58 115.99 1shl h GLU 95 Ca 0.57 -0.50 0.06 0.00 0.08 0.00 0.00 59.36 59.56 1shl h GLU 95 Cb 0.85 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 1shl h GLU 95 CO -0.36 1.16 0.46 0.00 -2.18 0.00 0.00 179.01 178.09 1shl h ALA 96 N 0.28 1.05 -0.24 2.92 0.00 -0.99 -2.00 119.26 120.29 1shl h ALA 96 Ca -0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1shl h ALA 96 Cb 1.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1shl h ALA 96 CO 0.14 0.19 -0.07 -0.07 0.00 0.00 0.00 179.25 179.43 1shl h LEU 97 N 0.85 0.47 -0.50 0.00 3.38 -1.13 -0.67 115.31 117.71 1shl h LEU 97 Ca 0.34 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1shl h LEU 97 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1shl h LEU 97 CO -0.17 0.74 0.11 0.15 0.09 0.00 0.00 178.44 179.36 1shl h PHE 98 N 0.19 0.86 -0.12 1.13 3.57 -1.33 0.26 116.94 121.50 1shl h PHE 98 Ca 0.06 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1shl h PHE 98 Cb 0.54 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1shl h PHE 98 CO 0.05 0.77 0.03 0.87 -2.23 0.00 0.00 178.31 177.80 1shl h LYS 99 N 0.70 0.08 0.18 1.11 1.57 -1.33 0.14 116.57 119.00 1shl h LYS 99 Ca 0.16 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1shl h LYS 99 Cb 0.35 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1shl h LYS 99 CO 0.00 0.05 -0.11 0.00 -0.57 0.00 0.00 179.45 178.83 1shl h PHE 101 N -0.28 0.06 -0.59 0.00 -1.00 -0.46 -2.19 116.94 112.49 1shl h PHE 101 Ca -0.02 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.75 1shl h PHE 101 Cb 0.23 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1shl h PHE 101 CO -0.08 0.64 0.38 -0.09 -1.61 0.00 0.00 178.31 177.54 1shl h ARG 102 N 0.03 0.74 -0.06 1.51 2.43 -0.88 -2.29 114.38 115.85 1shl h ARG 102 Ca -0.01 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1shl h ARG 102 Cb 1.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1shl h ARG 102 CO 0.08 0.49 -0.35 1.03 -1.51 0.00 0.00 179.97 179.71 1shl h SER 103 N 0.76 0.11 0.59 -3.80 0.87 -0.94 -2.14 113.55 108.99 1shl h SER 103 Ca 0.22 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1shl h SER 103 Cb -0.05 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1shl h SER 103 CO -0.07 0.46 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.41 1shl h LEU 104 N 0.10 0.00 0.00 2.23 3.38 -1.15 -3.47 115.31 116.40 1shl h LEU 104 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1shl h LEU 104 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1shl h LEU 104 CO 0.05 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1shl n GLY 105 N -0.31 1.33 3.80 0.83 0.00 -0.81 -4.97 105.19 105.07 1shl n GLY 105 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1shl n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shl s PHE 106 N -2.00 2.95 -0.49 1.61 0.40 -0.89 -4.11 117.98 115.46 1shl s PHE 106 Ca 0.00 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.66 1shl s PHE 106 Cb 0.00 -3.02 0.06 0.00 0.51 0.00 0.00 43.02 40.57 1shl s PHE 106 CO 0.00 -1.20 0.53 -0.51 0.70 0.00 0.00 175.22 174.73 1shl s ASP 107 N -2.86 6.19 -0.07 1.36 1.01 -0.64 -4.47 116.67 117.20 1shl s ASP 107 Ca 0.63 -1.03 -0.18 0.00 0.71 0.00 0.00 52.55 52.68 1shl s ASP 107 Cb -0.16 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 1shl s ASP 107 CO 0.39 -0.77 0.47 -0.69 0.21 0.00 0.00 175.17 174.78 1shl s VAL 108 N 2.23 5.11 -0.09 -1.27 1.01 -1.26 -2.07 120.40 124.05 1shl s VAL 108 Ca 0.11 0.96 0.04 0.00 0.00 0.00 0.00 61.98 63.09 1shl s VAL 108 Cb -0.21 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1shl s VAL 108 CO 0.10 0.40 -0.23 -0.63 0.00 0.00 0.00 175.10 174.74 1shl s ILE 109 N 0.08 1.98 -0.23 2.22 -1.09 -0.74 -4.99 121.20 118.43 1shl s ILE 109 Ca 0.26 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 1shl s ILE 109 Cb -0.16 -1.71 0.02 0.00 -1.58 0.00 0.00 42.46 39.03 1shl s ILE 109 CO 0.12 0.54 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.60 1shl s VAL 110 N 0.29 2.81 -0.02 2.92 1.01 -1.26 -1.13 120.40 125.01 1shl s VAL 110 Ca -0.16 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1shl s VAL 110 Cb -0.17 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1shl s VAL 110 CO 0.08 0.32 0.04 -0.31 0.00 0.00 0.00 175.10 175.23 1shl s TYR 111 N 1.35 3.20 -0.02 5.22 1.51 0.18 -5.01 117.35 123.79 1shl s TYR 111 Ca 0.02 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1shl s TYR 111 Cb -0.15 -1.73 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1shl s TYR 111 CO -0.06 0.51 -0.09 -0.80 -1.11 0.00 0.00 175.55 174.00 1shl s ASN 112 N -1.50 1.12 -1.28 2.29 -0.87 -1.26 0.03 114.94 113.47 1shl s ASN 112 Ca 0.20 -0.17 -0.02 0.00 -1.57 0.00 0.00 52.86 51.29 1shl s ASN 112 Cb -0.12 -0.21 -0.00 0.00 -0.02 0.00 0.00 41.25 40.90 1shl s ASN 112 CO 0.10 0.09 0.71 0.47 -2.57 0.00 0.00 177.10 175.90 1shl n ASP 113 N 3.05 -1.80 -4.80 -1.22 8.00 -0.19 -4.95 116.55 114.64 1shl n ASP 113 Ca -0.16 -0.84 -0.35 0.00 0.71 0.00 0.00 54.79 54.15 1shl n ASP 113 Cb 0.56 -4.01 -0.07 0.00 -0.02 0.00 0.00 41.12 37.58 1shl n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shl s SER 115 N -1.84 2.32 0.15 0.00 1.04 -1.26 -0.44 113.70 113.67 1shl s SER 115 Ca 0.55 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.84 1shl s SER 115 Cb -0.15 -1.52 0.01 0.00 0.10 0.00 0.00 66.02 64.46 1shl s SER 115 CO 0.20 -3.29 1.59 0.00 0.98 0.00 0.00 173.24 172.71 1shl h ALA 117 N 0.92 1.20 0.03 0.00 0.00 -1.99 -2.51 119.26 116.90 1shl h ALA 117 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1shl h ALA 117 Cb 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1shl h ALA 117 CO 0.03 0.56 -0.01 -0.22 0.00 0.00 0.00 179.25 179.60 1shl h LYS 118 N 0.87 -0.04 -0.94 0.00 3.11 -1.92 -1.20 116.57 116.46 1shl h LYS 118 Ca 0.20 0.00 0.10 0.00 -2.81 0.00 0.00 60.65 58.14 1shl h LYS 118 Cb 0.26 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.42 1shl h LYS 118 CO -0.01 0.19 0.58 0.52 -2.81 0.00 0.00 179.45 177.92 1shl h MET 119 N -0.26 0.94 0.24 1.90 2.86 -1.35 0.43 114.93 119.68 1shl h MET 119 Ca -0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1shl h MET 119 Cb 0.24 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1shl h MET 119 CO 0.01 0.62 -0.12 1.96 1.06 0.00 0.00 176.91 180.44 1shl h GLN 120 N 0.97 -0.32 -0.20 1.72 1.08 -1.43 -2.56 115.11 114.37 1shl h GLN 120 Ca 0.45 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.66 1shl h GLN 120 Cb 0.37 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1shl h GLN 120 CO -0.24 -0.02 0.09 0.22 -0.95 0.00 0.00 178.83 177.94 1shl h ASP 121 N -0.62 0.26 -0.51 1.46 3.58 -0.86 -1.76 116.42 117.98 1shl h ASP 121 Ca -0.03 -0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.33 1shl h ASP 121 Cb 0.44 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.36 1shl h ASP 121 CO 0.06 0.32 -0.30 0.25 -2.88 0.00 0.00 179.24 176.68 1shl h LEU 122 N 0.19 -1.11 -0.73 2.28 5.85 -0.24 -1.14 115.31 120.41 1shl h LEU 122 Ca 0.07 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1shl h LEU 122 Cb 0.13 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1shl h LEU 122 CO -0.01 -0.12 0.07 -0.07 -0.34 0.00 0.00 178.44 177.97 1shl h LEU 123 N -0.00 1.00 -0.89 2.25 3.38 -1.40 -1.96 115.31 117.68 1shl h LEU 123 Ca 0.08 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1shl h LEU 123 Cb 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1shl h LEU 123 CO -0.48 1.01 0.59 0.50 0.09 0.00 0.00 178.44 180.16 1shl h LYS 124 N 0.97 1.17 0.00 1.13 3.64 -1.07 -0.21 116.57 122.19 1shl h LYS 124 Ca 0.19 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 1shl h LYS 124 Cb 0.46 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1shl h LYS 124 CO 0.02 0.78 -0.54 0.87 -2.27 0.00 0.00 179.45 178.30 1shl h LYS 125 N 1.21 0.00 -0.36 1.90 1.57 -0.98 -2.35 116.57 117.56 1shl h LYS 125 Ca 0.33 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1shl h LYS 125 Cb -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1shl h LYS 125 CO -0.07 0.54 -0.35 0.00 -0.57 0.00 0.00 179.45 179.00 1shl h ALA 126 N 1.46 0.69 0.00 3.86 0.00 -0.70 -3.05 119.26 121.52 1shl h ALA 126 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1shl h ALA 126 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1shl h ALA 126 CO 0.07 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.86 1shl n SER 127 N -4.06 0.69 -0.67 0.00 3.41 -0.15 -2.49 113.62 110.34 1shl n SER 127 Ca -0.02 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 1shl n SER 127 Cb 0.52 -0.79 0.07 0.00 -0.26 0.00 0.00 64.21 63.74 1shl n SER 127 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1shl n GLU 128 N -2.22 1.66 -1.27 4.33 1.02 -0.91 -4.68 120.64 118.57 1shl n GLU 128 Ca 0.03 -1.36 -0.29 0.00 -0.02 0.00 0.00 57.16 55.52 1shl n GLU 128 Cb 0.29 -1.47 0.15 0.00 -0.02 0.00 0.00 31.44 30.38 1shl n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1shl s GLU 129 N -2.27 0.99 -0.50 3.49 2.02 -1.04 -5.01 118.70 116.39 1shl s GLU 129 Ca 0.23 0.60 -0.20 0.00 0.02 0.00 0.00 54.97 55.62 1shl s GLU 129 Cb 0.19 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.67 1shl s GLU 129 CO 0.45 -2.37 0.66 0.34 0.02 0.00 0.00 175.26 174.37 1shl s ASP 130 N -3.57 6.26 -0.12 -0.19 3.68 -1.26 -4.89 116.67 116.57 1shl s ASP 130 Ca 0.64 -0.73 0.18 0.00 2.13 0.00 0.00 52.55 54.77 1shl s ASP 130 Cb -0.17 -2.31 0.74 0.00 -1.45 0.00 0.00 42.92 39.72 1shl s ASP 130 CO 0.56 -0.90 1.64 1.41 0.13 0.00 0.00 175.17 178.01 1shl n HIS 131 N 6.33 1.54 -0.27 -5.34 8.25 -1.26 -4.61 115.22 119.86 1shl n HIS 131 Ca -0.05 -0.61 0.04 0.00 -0.26 0.00 0.00 57.72 56.85 1shl n HIS 131 Cb 0.46 -0.26 0.27 0.00 1.12 0.00 0.00 29.99 31.58 1shl n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1shl h THR 132 N 4.13 1.06 -0.41 1.59 2.02 -1.91 -1.30 112.91 118.09 1shl h THR 132 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1shl h THR 132 Cb 1.49 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1shl h THR 132 CO 0.25 0.17 0.00 -0.46 0.37 0.00 0.00 175.52 175.86 1shl n ASN 133 N -4.48 3.36 -4.55 4.18 6.94 -1.26 -4.91 115.26 114.54 1shl n ASN 133 Ca 0.12 -2.33 -0.30 0.00 -0.02 0.00 0.00 54.58 52.05 1shl n ASN 133 Cb 0.19 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 37.02 1shl n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1shl s ALA 134 N -1.79 2.89 0.05 -2.53 0.00 -0.49 -1.42 121.76 118.46 1shl s ALA 134 Ca 0.33 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 1shl s ALA 134 Cb 0.22 -0.89 -0.32 0.00 0.00 0.00 0.00 23.12 22.12 1shl s ALA 134 CO 0.15 0.62 1.05 0.00 0.00 0.00 0.00 175.76 177.58 1shl h ALA 135 N 3.94 -0.04 -2.61 0.00 0.00 -0.83 -3.48 119.26 116.24 1shl h ALA 135 Ca -0.49 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 53.51 1shl h ALA 135 Cb 1.16 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1shl h ALA 135 CO 0.51 0.83 0.09 0.00 0.00 0.00 0.00 179.25 180.69 1shl s PHE 137 N -5.48 -0.09 0.02 0.00 5.36 -0.92 -3.89 117.98 112.97 1shl s PHE 137 Ca 0.09 0.31 0.06 0.00 -0.96 0.00 0.00 56.93 56.43 1shl s PHE 137 Cb -0.02 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1shl s PHE 137 CO 0.06 -0.10 -0.19 0.00 -1.46 0.00 0.00 175.22 173.53 1shl s ALA 138 N 0.73 1.57 -0.03 11.12 0.00 0.17 -0.23 121.76 135.09 1shl s ALA 138 Ca -0.06 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1shl s ALA 138 Cb -0.08 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1shl s ALA 138 CO -0.03 0.36 -0.02 0.00 0.00 0.00 0.00 175.76 176.07 1shl s ILE 140 N 0.86 2.56 -0.26 0.00 1.01 0.18 -1.68 121.20 123.88 1shl s ILE 140 Ca -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1shl s ILE 140 Cb -0.13 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1shl s ILE 140 CO -0.01 0.52 -0.04 -0.76 0.00 0.00 0.00 174.94 174.66 1shl s LEU 141 N 0.83 3.31 -0.31 2.97 1.43 -0.10 -0.70 118.68 126.10 1shl s LEU 141 Ca -0.05 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1shl s LEU 141 Cb -0.15 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.44 1shl s LEU 141 CO -0.01 -0.14 0.01 -0.76 0.23 0.00 0.00 176.35 175.69 1shl s LEU 142 N 1.35 4.15 0.00 1.79 1.43 -0.46 -0.05 118.68 126.89 1shl s LEU 142 Ca 0.00 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 1shl s LEU 142 Cb -0.17 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1shl s LEU 142 CO -0.03 -0.31 0.00 -0.24 0.23 0.00 0.00 176.35 176.00 1shl n SER 143 N 4.50 0.00 -4.89 2.29 2.88 -0.95 -1.26 113.62 116.19 1shl n SER 143 Ca -0.09 -0.72 -0.29 0.00 -1.33 0.00 0.00 58.87 56.44 1shl n SER 143 Cb 0.42 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1shl n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1shl s HIS 144 N -6.58 3.50 0.06 0.66 3.76 -1.26 -2.25 115.29 113.18 1shl s HIS 144 Ca 0.00 0.94 -0.23 0.00 -0.15 0.00 0.00 55.06 55.63 1shl s HIS 144 Cb 0.00 -2.38 0.05 0.00 1.11 0.00 0.00 32.58 31.37 1shl s HIS 144 CO 0.00 -0.15 0.53 0.20 -0.85 0.00 0.00 174.74 174.47 1shl s GLY 145 N -3.49 -0.45 0.19 -2.22 0.00 -1.26 -0.94 107.32 99.14 1shl s GLY 145 Ca 0.49 0.60 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 1shl s GLY 145 CO 0.36 0.29 0.10 -0.54 0.00 0.00 0.00 173.10 173.31 1shl s GLU 146 N -2.56 1.14 -0.28 2.90 2.02 -1.05 -2.43 118.70 118.44 1shl s GLU 146 Ca -0.05 -1.58 -0.34 0.00 0.02 0.00 0.00 54.97 53.02 1shl s GLU 146 Cb -0.01 0.16 -0.15 0.00 0.10 0.00 0.00 34.13 34.23 1shl s GLU 146 CO -0.03 -0.32 1.09 0.39 0.02 0.00 0.00 175.26 176.41 1shl n GLU 147 N -0.24 0.00 -0.87 1.61 4.71 -1.26 -1.07 120.64 123.51 1shl n GLU 147 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.11 1shl n GLU 147 Cb 0.65 -1.11 -0.01 0.00 -1.01 0.00 0.00 31.44 29.96 1shl n GLU 147 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1shl n ASN 148 N 2.49 -4.26 -4.07 1.62 6.94 -1.26 -4.92 115.26 111.80 1shl n ASN 148 Ca 0.21 0.08 -0.18 0.00 -0.02 0.00 0.00 54.58 54.67 1shl n ASN 148 Cb -0.02 -2.87 -0.14 0.00 -2.36 0.00 0.00 39.78 34.39 1shl n ASN 148 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1shl s VAL 149 N -1.05 0.81 0.04 3.53 1.01 -0.24 -1.56 120.40 122.95 1shl s VAL 149 Ca 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1shl s VAL 149 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1shl s VAL 149 CO 0.00 0.03 -0.26 -0.51 0.00 0.00 0.00 175.10 174.37 1shl s ILE 150 N -0.62 2.07 -0.09 2.22 2.07 0.69 -2.53 121.20 125.00 1shl s ILE 150 Ca 0.01 -1.33 -0.26 0.00 -1.41 0.00 0.00 60.65 57.66 1shl s ILE 150 Cb -0.06 -1.76 -0.03 0.00 0.13 0.00 0.00 42.46 40.74 1shl s ILE 150 CO 0.00 0.37 0.83 -0.31 -1.91 0.00 0.00 174.94 173.93 1shl s TYR 151 N -0.78 3.53 0.08 3.50 1.51 -0.12 -1.13 117.35 123.95 1shl s TYR 151 Ca 0.11 1.37 -0.01 0.00 -1.01 0.00 0.00 57.07 57.53 1shl s TYR 151 Cb -0.10 -2.98 0.02 0.00 -0.11 0.00 0.00 41.96 38.79 1shl s TYR 151 CO 0.02 -0.08 0.11 0.41 -1.11 0.00 0.00 175.55 174.90 1shl n GLY 152 N 3.20 -0.88 0.09 0.71 0.00 -0.44 -4.49 105.19 103.37 1shl n GLY 152 Ca 0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.29 1shl n GLY 152 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1shl h LYS 153 N 0.00 0.00 -0.10 1.61 3.64 -1.01 -3.31 116.57 117.39 1shl h LYS 153 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1shl h LYS 153 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1shl h LYS 153 CO 0.03 0.84 0.00 -0.40 -2.27 0.00 0.00 179.45 177.65 1shl n ASP 154 N -3.44 2.48 0.00 4.20 5.75 -1.26 -1.16 116.55 123.12 1shl n ASP 154 Ca -0.00 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1shl n ASP 154 Cb 0.83 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1shl n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shl n GLY 155 N 0.88 -0.80 2.88 6.12 0.00 -1.25 -4.95 105.19 108.07 1shl n GLY 155 Ca 0.10 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1shl n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shl s VAL 156 N -4.00 -0.21 0.03 1.61 1.01 -1.26 -1.33 120.40 116.25 1shl s VAL 156 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1shl s VAL 156 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1shl s VAL 156 CO 0.00 0.12 -0.22 0.42 0.00 0.00 0.00 175.10 175.43 1shl s THR 157 N 1.96 1.75 0.05 3.92 -4.23 -0.28 -4.95 115.64 113.86 1shl s THR 157 Ca -0.01 -1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 59.04 1shl s THR 157 Cb -0.12 -1.50 -0.07 0.00 1.34 0.00 0.00 72.50 72.15 1shl s THR 157 CO -0.06 0.31 1.49 -2.16 -0.54 0.00 0.00 174.62 173.66 1shl s PRO 158 N -1.00 4.26 0.58 3.99 0.04 -1.26 -0.22 135.00 141.38 1shl s PRO 158 Ca 0.08 2.13 0.32 0.00 0.04 0.00 0.00 61.00 63.58 1shl s PRO 158 Cb -0.09 -3.49 1.39 0.00 0.04 0.00 0.00 34.50 32.35 1shl s PRO 158 CO 0.01 -0.60 1.71 0.82 0.04 0.00 0.00 177.00 178.98 1shl h ILE 159 N 4.70 0.27 -0.26 0.56 2.04 -1.59 -0.25 117.51 122.98 1shl h ILE 159 Ca -0.40 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.26 1shl h ILE 159 Cb 1.19 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1shl h ILE 159 CO 0.90 0.00 -0.59 0.50 0.00 0.00 0.00 178.15 178.96 1shl h LYS 160 N 0.00 0.83 -0.23 2.37 3.64 -1.90 -2.67 116.57 118.63 1shl h LYS 160 Ca 0.44 -0.56 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1shl h LYS 160 Cb 2.10 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.98 1shl h LYS 160 CO -0.00 1.18 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.73 1shl h ASP 161 N 0.63 0.39 -0.44 4.20 3.32 -1.42 -0.22 116.42 122.88 1shl h ASP 161 Ca 0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1shl h ASP 161 Cb 1.20 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1shl h ASP 161 CO 0.13 0.60 0.04 -0.07 -1.72 0.00 0.00 179.24 178.21 1shl h LEU 162 N 0.36 0.72 0.00 1.55 3.38 -1.47 -3.21 115.31 116.65 1shl h LEU 162 Ca 0.06 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1shl h LEU 162 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1shl h LEU 162 CO 0.04 0.83 -0.70 0.71 0.09 0.00 0.00 178.44 179.40 1shl h THR 163 N 0.59 0.43 -0.48 0.22 1.35 -1.31 -3.37 112.91 110.35 1shl h THR 163 Ca 0.13 -1.67 0.10 0.00 -0.55 0.00 0.00 66.41 64.42 1shl h THR 163 Cb 0.43 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.90 1shl h THR 163 CO 0.02 0.24 0.33 0.00 -0.25 0.00 0.00 175.52 175.86 1shl h ALA 164 N 1.68 2.17 -0.13 6.62 0.00 -1.03 -2.29 119.26 126.27 1shl h ALA 164 Ca -0.04 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1shl h ALA 164 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1shl h ALA 164 CO 0.03 -0.28 0.15 0.45 0.00 0.00 0.00 179.25 179.60 1shl h HIS 165 N 0.22 0.00 -1.53 0.00 3.86 -1.72 -2.93 115.15 113.05 1shl h HIS 165 Ca 0.23 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.72 1shl h HIS 165 Cb 0.60 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 28.80 1shl h HIS 165 CO -0.00 0.00 0.96 1.19 0.86 0.00 0.00 177.93 180.94 1shl n PHE 166 N -3.85 3.04 -4.03 2.45 3.72 -0.86 -4.24 117.46 113.69 1shl n PHE 166 Ca 0.00 -2.62 -0.36 0.00 -0.05 0.00 0.00 57.45 54.43 1shl n PHE 166 Cb 0.26 -1.31 -0.08 0.00 -0.94 0.00 0.00 39.48 37.42 1shl n PHE 166 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1shl s ARG 167 N -3.89 3.40 0.10 -1.08 0.52 -1.11 -4.84 118.95 112.05 1shl s ARG 167 Ca 0.57 -0.24 -0.07 0.00 -0.52 0.00 0.00 55.73 55.48 1shl s ARG 167 Cb 0.47 -3.09 0.12 0.00 0.52 0.00 0.00 34.95 32.97 1shl s ARG 167 CO -0.23 0.68 0.66 0.41 0.02 0.00 0.00 175.30 176.84 1shl n GLY 168 N 2.26 -0.85 0.16 -3.53 0.00 -1.26 0.73 105.19 102.70 1shl n GLY 168 Ca -0.19 0.47 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 1shl n GLY 168 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1shl h ASP 169 N 0.00 0.07 -0.21 1.61 2.03 -1.97 -3.29 116.42 114.67 1shl h ASP 169 Ca 0.16 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1shl h ASP 169 Cb 0.26 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1shl h ASP 169 CO -0.42 0.57 0.00 -2.11 -1.03 0.00 0.00 179.24 176.24 1shl n ARG 170 N -3.94 1.91 -3.11 4.15 1.85 0.22 -4.69 116.66 113.05 1shl n ARG 170 Ca -0.02 -1.83 -0.17 0.00 -1.00 0.00 0.00 57.85 54.84 1shl n ARG 170 Cb 0.53 -1.36 -0.01 0.00 -1.05 0.00 0.00 32.46 30.56 1shl n ARG 170 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1shl h LYS 172 N 3.04 0.00 0.00 0.00 1.79 -1.80 0.11 116.57 119.71 1shl h LYS 172 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1shl h LYS 172 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1shl h LYS 172 CO 0.44 0.00 0.00 2.41 -1.08 0.00 0.00 179.45 181.22 1shl n THR 173 N -4.04 0.80 -1.04 -0.16 -1.04 -1.26 -2.78 114.28 104.76 1shl n THR 173 Ca 0.18 0.16 0.09 0.00 -2.04 0.00 0.00 64.05 62.43 1shl n THR 173 Cb 0.99 -1.03 0.22 0.00 -1.82 0.00 0.00 70.33 68.69 1shl n THR 173 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1shl n LEU 174 N -2.08 3.43 -4.75 -4.42 4.77 0.03 -4.17 117.00 109.81 1shl n LEU 174 Ca 0.03 -3.07 -0.41 0.00 -0.03 0.00 0.00 56.01 52.53 1shl n LEU 174 Cb 0.25 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1shl n LEU 174 CO 0.20 0.70 0.99 -0.76 -1.33 0.00 0.00 177.39 177.19 1shl s LEU 175 N -2.86 4.42 -1.95 2.23 1.43 -1.12 -2.52 118.68 118.32 1shl s LEU 175 Ca 0.39 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 1shl s LEU 175 Cb 0.33 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1shl s LEU 175 CO 0.07 -0.53 0.00 -0.62 0.23 0.00 0.00 176.35 175.50 1shl n GLU 176 N 2.18 -1.40 -5.25 1.70 1.02 -1.26 -5.00 120.64 112.63 1shl n GLU 176 Ca 0.05 1.12 -0.31 0.00 -0.02 0.00 0.00 57.16 57.99 1shl n GLU 176 Cb 0.42 -5.51 -0.16 0.00 -0.02 0.00 0.00 31.44 26.17 1shl n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1shl s LYS 177 N -3.99 2.46 0.26 3.49 1.02 -1.05 -4.93 119.74 117.00 1shl s LYS 177 Ca 0.00 -0.89 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 1shl s LYS 177 Cb 0.00 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.08 1shl s LYS 177 CO 0.00 0.39 1.63 -1.25 -0.92 0.00 0.00 175.35 175.20 1shl s PRO 178 N -0.20 4.13 -0.25 -1.68 0.04 -1.26 -4.85 135.00 130.92 1shl s PRO 178 Ca -0.02 2.57 0.01 0.00 0.04 0.00 0.00 61.00 63.60 1shl s PRO 178 Cb -0.13 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.41 1shl s PRO 178 CO 0.03 -0.66 -0.10 0.15 0.04 0.00 0.00 177.00 176.46 1shl s LYS 179 N 0.12 2.46 -0.19 4.56 1.02 0.12 -2.17 119.74 125.66 1shl s LYS 179 Ca 0.67 -1.21 -0.07 0.00 0.02 0.00 0.00 55.97 55.38 1shl s LYS 179 Cb -0.48 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1shl s LYS 179 CO 0.42 -0.50 0.05 -0.51 -0.92 0.00 0.00 175.35 173.89 1shl s LEU 180 N 1.18 3.73 -0.20 3.17 1.02 0.68 -1.60 118.68 126.67 1shl s LEU 180 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.13 1shl s LEU 180 Cb -0.18 -1.94 0.05 0.00 0.02 0.00 0.00 46.19 44.13 1shl s LEU 180 CO -0.06 0.15 -0.06 -0.36 0.02 0.00 0.00 176.35 176.05 1shl s PHE 181 N 0.50 2.06 -0.42 0.29 0.40 0.29 -0.43 117.98 120.66 1shl s PHE 181 Ca 0.03 -1.41 -0.10 0.00 -0.60 0.00 0.00 56.93 54.84 1shl s PHE 181 Cb -0.13 -1.46 0.08 0.00 0.51 0.00 0.00 43.02 42.02 1shl s PHE 181 CO 0.01 -0.70 0.28 -0.06 0.70 0.00 0.00 175.22 175.45 1shl s PHE 182 N 1.51 3.32 -0.19 0.36 0.40 -0.67 0.03 117.98 122.74 1shl s PHE 182 Ca -0.02 -1.42 -0.06 0.00 -0.60 0.00 0.00 56.93 54.82 1shl s PHE 182 Cb -0.17 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 1shl s PHE 182 CO -0.07 -0.83 0.04 0.42 0.70 0.00 0.00 175.22 175.47 1shl s ILE 183 N 1.46 4.50 -0.66 0.64 1.09 -0.18 -0.93 121.20 127.12 1shl s ILE 183 Ca 0.03 -0.13 0.05 0.00 -1.10 0.00 0.00 60.65 59.49 1shl s ILE 183 Cb -0.23 -3.02 0.16 0.00 -1.06 0.00 0.00 42.46 38.31 1shl s ILE 183 CO 0.03 0.45 0.45 -1.58 -0.10 0.00 0.00 174.94 174.19 1shl s GLN 184 N 0.55 2.32 -0.41 2.79 2.00 0.93 -1.67 119.66 126.17 1shl s GLN 184 Ca 0.02 -3.17 -0.08 0.00 -2.00 0.00 0.00 55.36 50.12 1shl s GLN 184 Cb -0.13 -3.33 0.08 0.00 0.80 0.00 0.00 33.01 30.43 1shl s GLN 184 CO 0.02 -1.26 0.24 0.00 -0.50 0.00 0.00 175.29 173.79 1shl s ALA 185 N -1.20 3.25 0.05 1.58 0.00 -1.14 -2.23 121.76 122.07 1shl s ALA 185 Ca 0.24 -2.19 -0.32 0.00 0.00 0.00 0.00 51.96 49.69 1shl s ALA 185 Cb -0.08 -2.58 -0.18 0.00 0.00 0.00 0.00 23.12 20.28 1shl s ALA 185 CO -0.14 -1.65 1.48 0.00 0.00 0.00 0.00 175.76 175.45 1shl n ARG 187 N -5.11 1.05 0.00 0.00 1.74 -1.24 -4.73 116.66 108.38 1shl n ARG 187 Ca -0.14 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1shl n ARG 187 Cb 0.46 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1shl n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1shl n GLY 188 N 0.05 -0.87 2.48 -0.13 0.00 -1.02 -4.81 105.19 100.90 1shl n GLY 188 Ca 0.00 0.60 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 1shl n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shl s ILE 213 N 0.00 0.54 -1.02 -0.61 1.01 -1.26 -4.75 121.20 115.11 1shl s ILE 213 Ca 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 60.65 58.19 1shl s ILE 213 Cb 0.00 -1.39 0.28 0.00 0.01 0.00 0.00 42.46 41.36 1shl s ILE 213 CO 0.00 -1.10 1.18 -0.81 0.00 0.00 0.00 174.94 174.20 1shl n PRO 214 N 3.27 3.68 -2.57 2.79 -0.05 -1.26 -4.96 135.00 135.89 1shl n PRO 214 Ca 0.21 -4.53 -0.42 0.00 -0.05 0.00 0.00 63.50 58.71 1shl n PRO 214 Cb 0.42 -2.48 -0.02 0.00 -0.05 0.00 0.00 33.50 31.37 1shl n PRO 214 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1shl s VAL 215 N -2.05 4.01 0.04 0.52 1.01 -1.26 -4.95 120.40 117.73 1shl s VAL 215 Ca 0.31 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1shl s VAL 215 Cb -0.01 -5.13 0.00 0.00 0.00 0.00 0.00 36.38 31.24 1shl s VAL 215 CO -0.01 -1.98 0.17 -0.70 0.00 0.00 0.00 175.10 172.58 1shl s GLU 216 N 4.63 0.67 0.54 2.72 2.12 -1.26 -5.15 118.70 122.97 1shl s GLU 216 Ca 0.50 -0.67 -0.22 0.00 0.36 0.00 0.00 54.97 54.94 1shl s GLU 216 Cb 0.02 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 1shl s GLU 216 CO -0.02 -0.19 1.37 0.00 -0.54 0.00 0.00 175.26 175.89 1shl s ALA 217 N -2.60 2.84 -1.58 6.30 0.00 -1.26 -3.09 121.76 122.36 1shl s ALA 217 Ca -0.05 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1shl s ALA 217 Cb -0.01 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1shl s ALA 217 CO -0.04 -1.40 0.00 -0.25 0.00 0.00 0.00 175.76 174.07 1shl n ASP 218 N -1.00 -5.16 -4.85 0.00 8.00 -0.40 -4.93 116.55 108.21 1shl n ASP 218 Ca 0.10 0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.36 1shl n ASP 218 Cb 0.45 -4.24 -0.05 0.00 -0.02 0.00 0.00 41.12 37.25 1shl n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1shl s PHE 219 N -2.84 3.36 -0.10 1.24 0.08 -1.18 0.11 117.98 118.65 1shl s PHE 219 Ca 0.00 0.18 -0.06 0.00 0.12 0.00 0.00 56.93 57.17 1shl s PHE 219 Cb 0.00 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1shl s PHE 219 CO 0.00 0.56 0.24 -1.17 -0.10 0.00 0.00 175.22 174.75 1shl s LEU 220 N -2.36 0.63 -0.13 -0.37 0.20 -0.63 -0.92 118.68 115.11 1shl s LEU 220 Ca 0.31 0.51 0.02 0.00 0.69 0.00 0.00 54.13 55.66 1shl s LEU 220 Cb -0.13 0.76 0.00 0.00 -0.43 0.00 0.00 46.19 46.39 1shl s LEU 220 CO 0.24 -0.14 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.60 1shl s PHE 221 N 0.90 2.68 -0.46 5.38 0.08 -0.28 -0.55 117.98 125.73 1shl s PHE 221 Ca -0.06 -1.16 -0.04 0.00 0.12 0.00 0.00 56.93 55.79 1shl s PHE 221 Cb -0.08 -1.81 0.12 0.00 -0.57 0.00 0.00 43.02 40.68 1shl s PHE 221 CO -0.06 -0.51 0.28 0.00 -0.10 0.00 0.00 175.22 174.83 1shl s ALA 222 N 0.68 3.28 -0.16 5.36 0.00 0.10 -1.29 121.76 129.74 1shl s ALA 222 Ca -0.10 -2.68 -0.08 0.00 0.00 0.00 0.00 51.96 49.10 1shl s ALA 222 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1shl s ALA 222 CO 0.01 -1.88 0.14 -0.47 0.00 0.00 0.00 175.76 173.56 1shl s TYR 223 N 0.95 3.51 -0.01 0.00 6.14 -1.18 -1.01 117.35 125.75 1shl s TYR 223 Ca 0.10 0.44 0.02 0.00 0.64 0.00 0.00 57.07 58.26 1shl s TYR 223 Cb -0.23 -2.05 -0.00 0.00 0.42 0.00 0.00 41.96 40.11 1shl s TYR 223 CO -0.04 0.53 -0.07 0.45 0.64 0.00 0.00 175.55 177.06 1shl s SER 224 N -0.37 0.88 -0.00 4.32 0.15 -0.67 -1.85 113.70 116.16 1shl s SER 224 Ca 0.12 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1shl s SER 224 Cb -0.12 -0.16 -0.08 0.00 -1.71 0.00 0.00 66.02 63.96 1shl s SER 224 CO 0.01 0.07 0.18 0.35 1.20 0.00 0.00 173.24 175.05 1shl n THR 225 N 3.09 0.00 -1.71 6.45 -2.24 -1.26 -2.88 114.28 115.73 1shl n THR 225 Ca -0.15 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1shl n THR 225 Cb 0.56 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 1shl n THR 225 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1shl s VAL 226 N -2.00 2.69 -0.08 2.28 1.01 -1.26 -4.69 120.40 118.35 1shl s VAL 226 Ca -0.00 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1shl s VAL 226 Cb 0.04 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1shl s VAL 226 CO 0.24 -0.00 0.71 -2.16 0.00 0.00 0.00 175.10 173.89 1shl s PRO 227 N 3.24 4.42 0.00 2.72 0.05 -1.26 -4.79 135.00 139.38 1shl s PRO 227 Ca 0.83 0.88 0.00 0.00 0.05 0.00 0.00 61.00 62.76 1shl s PRO 227 Cb -0.45 -3.46 0.00 0.00 0.05 0.00 0.00 34.50 30.64 1shl s PRO 227 CO 0.38 0.02 0.00 0.41 0.05 0.00 0.00 177.00 177.86 1shl n GLY 238 N 3.16 0.00 3.76 0.56 0.00 -1.26 -4.32 105.19 107.09 1shl n GLY 238 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1shl n GLY 238 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1shl s SER 239 N -0.77 5.84 0.04 1.61 0.15 -1.26 -4.90 113.70 114.39 1shl s SER 239 Ca 0.00 2.53 -0.26 0.00 0.70 0.00 0.00 55.95 58.93 1shl s SER 239 Cb 0.00 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.52 1shl s SER 239 CO 0.00 -1.16 1.46 -0.50 1.20 0.00 0.00 173.24 174.23 1shl h TRP 240 N 1.90 -0.24 -0.46 3.44 6.55 -1.87 -0.79 115.95 124.49 1shl h TRP 240 Ca -0.50 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 59.43 1shl h TRP 240 Cb 1.27 0.08 -0.09 0.00 -0.86 0.00 0.00 29.16 29.55 1shl h TRP 240 CO 0.50 0.02 -0.18 0.35 -1.05 0.00 0.00 178.44 178.08 1shl h PHE 241 N -0.47 -0.45 -0.46 0.49 3.57 -1.90 0.07 116.94 117.78 1shl h PHE 241 Ca -0.03 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1shl h PHE 241 Cb 0.36 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1shl h PHE 241 CO -0.00 -0.27 0.04 0.28 -2.23 0.00 0.00 178.31 176.13 1shl h VAL 242 N -0.08 1.25 -0.54 1.41 2.07 -1.93 -0.28 116.25 118.15 1shl h VAL 242 Ca 0.22 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1shl h VAL 242 Cb 0.43 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1shl h VAL 242 CO -0.52 0.34 0.26 1.56 0.02 0.00 0.00 177.57 179.23 1shl h GLN 243 N 0.64 0.78 -0.20 1.57 4.20 -0.83 -1.97 115.11 119.31 1shl h GLN 243 Ca 0.14 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1shl h GLN 243 Cb 0.44 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1shl h GLN 243 CO 0.02 0.64 0.02 0.00 -0.67 0.00 0.00 178.83 178.84 1shl h ALA 244 N 1.10 0.26 -0.07 3.87 0.00 -0.75 -1.67 119.26 122.01 1shl h ALA 244 Ca 0.19 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1shl h ALA 244 Cb 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1shl h ALA 244 CO -0.02 -0.05 -0.49 1.25 0.00 0.00 0.00 179.25 179.94 1shl h LEU 245 N 0.11 -1.52 -0.56 0.00 5.85 -0.93 -1.89 115.31 116.37 1shl h LEU 245 Ca 0.06 0.18 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1shl h LEU 245 Cb 0.34 0.60 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1shl h LEU 245 CO 0.01 -0.48 0.21 0.00 -0.34 0.00 0.00 178.44 177.83 1shl h SER 247 N 0.39 0.26 -0.53 0.00 0.87 -1.02 -0.31 113.55 113.20 1shl h SER 247 Ca 0.27 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1shl h SER 247 Cb 0.31 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1shl h SER 247 CO -0.27 0.49 0.14 0.40 -0.53 0.00 0.00 176.83 177.05 1shl h ILE 248 N 0.02 1.24 -0.35 2.23 1.08 -1.27 -2.90 117.51 117.56 1shl h ILE 248 Ca 0.05 -0.86 -0.17 0.00 -0.39 0.00 0.00 64.86 63.49 1shl h ILE 248 Cb 0.35 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1shl h ILE 248 CO 0.01 0.32 -0.44 0.25 -0.69 0.00 0.00 178.15 177.59 1shl h LEU 249 N 0.86 0.99 -0.48 1.44 5.85 -0.90 0.14 115.31 123.21 1shl h LEU 249 Ca 0.19 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1shl h LEU 249 Cb 0.32 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1shl h LEU 249 CO -0.00 1.28 0.00 1.05 -0.34 0.00 0.00 178.44 180.43 1shl h GLU 250 N 0.73 0.00 0.00 1.25 4.11 -1.01 0.52 114.58 120.19 1shl h GLU 250 Ca 0.04 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.10 1shl h GLU 250 Cb 1.04 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1shl h GLU 250 CO 0.10 0.00 -2.40 -1.91 0.07 0.00 0.00 179.01 174.88 1shl n GLU 251 N -2.78 0.67 0.00 1.06 2.13 -1.10 -4.68 120.64 115.94 1shl n GLU 251 Ca 0.03 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1shl n GLU 251 Cb 0.41 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1shl n GLU 251 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1shl n HIS 252 N -2.97 0.00 -0.02 4.31 8.25 0.49 -4.80 115.22 120.49 1shl n HIS 252 Ca -0.37 -0.08 0.24 0.00 -0.26 0.00 0.00 57.72 57.24 1shl n HIS 252 Cb 1.09 -0.01 0.68 0.00 1.12 0.00 0.00 29.99 32.87 1shl n HIS 252 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1shl h GLY 253 N 0.00 0.00 -0.76 -1.41 0.00 0.04 0.03 103.07 100.97 1shl h GLY 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1shl h GLY 253 CO 0.00 0.00 -0.47 0.28 0.00 0.00 0.00 176.54 176.35 1shl n LYS 254 N -3.64 1.36 0.00 4.80 5.02 -1.26 -4.04 118.16 120.40 1shl n LYS 254 Ca 0.13 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 1shl n LYS 254 Cb 0.89 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1shl n LYS 254 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1shl n ASP 255 N -0.25 1.98 -4.68 4.39 5.75 -0.11 -4.51 116.55 119.11 1shl n ASP 255 Ca 0.07 -0.22 -0.26 0.00 -0.01 0.00 0.00 54.79 54.37 1shl n ASP 255 Cb 0.39 0.84 -0.07 0.00 -1.03 0.00 0.00 41.12 41.25 1shl n ASP 255 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1shl s LEU 256 N -2.08 3.38 0.39 -2.12 1.43 -0.57 -5.12 118.68 113.98 1shl s LEU 256 Ca 0.00 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 1shl s LEU 256 Cb 0.00 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1shl s LEU 256 CO 0.00 0.08 0.89 -0.70 0.23 0.00 0.00 176.35 176.86 1shl s GLU 257 N -2.99 4.19 0.27 1.70 -6.30 -1.26 -4.64 118.70 109.67 1shl s GLU 257 Ca 0.28 1.02 0.00 0.00 -2.50 0.00 0.00 54.97 53.77 1shl s GLU 257 Cb -0.09 -2.29 0.57 0.00 0.00 0.00 0.00 34.13 32.31 1shl s GLU 257 CO 0.19 0.04 1.77 -0.84 0.02 0.00 0.00 175.26 176.45 1shl h ILE 258 N 1.98 0.75 -0.64 -3.70 -0.00 -1.87 0.21 117.51 114.23 1shl h ILE 258 Ca -0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 64.86 64.14 1shl h ILE 258 Cb 1.18 -0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 37.97 1shl h ILE 258 CO 0.62 0.13 0.40 0.24 -0.00 0.00 0.00 178.15 179.54 1shl h MET 259 N 0.69 0.86 0.13 0.16 2.86 -1.93 0.35 114.93 118.05 1shl h MET 259 Ca 0.48 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.06 1shl h MET 259 Cb 0.67 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1shl h MET 259 CO -0.35 0.59 -0.06 1.96 1.06 0.00 0.00 176.91 180.10 1shl h GLN 260 N 0.88 -0.17 -0.28 1.72 4.20 -1.04 0.59 115.11 121.01 1shl h GLN 260 Ca 0.23 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.02 1shl h GLN 260 Cb -0.06 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.68 1shl h GLN 260 CO -0.05 0.10 -0.25 0.82 -0.67 0.00 0.00 178.83 178.78 1shl h ILE 261 N -0.42 0.37 0.00 2.54 1.08 -0.42 -1.72 117.51 118.94 1shl h ILE 261 Ca -0.02 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.36 1shl h ILE 261 Cb 0.34 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1shl h ILE 261 CO 0.03 0.00 -0.46 -0.07 -0.69 0.00 0.00 178.15 176.96 1shl h LEU 262 N -0.24 0.00 -0.22 1.44 3.38 -0.31 -1.11 115.31 118.25 1shl h LEU 262 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1shl h LEU 262 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1shl h LEU 262 CO -0.42 0.46 0.09 0.74 0.09 0.00 0.00 178.44 179.39 1shl h THR 263 N 0.00 1.17 -0.92 0.22 2.02 -0.57 -0.86 112.91 113.97 1shl h THR 263 Ca -0.00 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1shl h THR 263 Cb 1.05 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1shl h THR 263 CO 0.06 0.17 0.61 0.03 0.37 0.00 0.00 175.52 176.75 1shl h ARG 264 N 0.20 1.22 0.62 6.66 3.08 -1.03 -1.98 114.38 123.14 1shl h ARG 264 Ca 0.07 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1shl h ARG 264 Cb 0.18 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1shl h ARG 264 CO -0.01 0.81 -0.32 0.28 -1.07 0.00 0.00 179.97 179.66 1shl h VAL 265 N 1.25 0.34 -0.90 2.04 2.07 -1.07 -2.65 116.25 117.33 1shl h VAL 265 Ca 0.34 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.11 1shl h VAL 265 Cb -0.14 0.34 -0.15 0.00 -1.52 0.00 0.00 31.29 29.82 1shl h VAL 265 CO -0.07 0.00 0.20 0.78 0.02 0.00 0.00 177.57 178.50 1shl h ASN 266 N -0.87 -0.09 -0.02 0.57 2.35 -0.92 -1.76 115.58 114.83 1shl h ASN 266 Ca -0.08 0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1shl h ASN 266 Cb 0.68 0.32 -0.02 0.00 0.05 0.00 0.00 38.32 39.34 1shl h ASN 266 CO 0.12 -0.22 -0.08 -0.78 -1.65 0.00 0.00 177.43 174.83 1shl h ASP 267 N 0.15 -0.22 1.20 5.81 3.58 -1.08 -2.06 116.42 123.79 1shl h ASP 267 Ca 0.57 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.90 1shl h ASP 267 Cb 1.19 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 1shl h ASP 267 CO -0.72 -0.11 -0.81 0.08 -2.88 0.00 0.00 179.24 174.80 1shl h ARG 268 N -0.12 0.00 0.00 0.28 0.11 -1.00 0.28 114.38 113.93 1shl h ARG 268 Ca 0.04 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.07 1shl h ARG 268 Cb 0.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1shl h ARG 268 CO -0.09 0.72 -0.21 -0.39 0.10 0.00 0.00 179.97 180.09 1shl h VAL 269 N 0.00 0.88 -0.11 0.08 -1.51 -1.51 -2.05 116.25 112.03 1shl h VAL 269 Ca -0.02 -0.82 -0.20 0.00 -1.23 0.00 0.00 66.70 64.42 1shl h VAL 269 Cb 1.59 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1shl h VAL 269 CO 0.09 0.21 -0.76 0.00 -1.23 0.00 0.00 177.57 175.89 1shl h ALA 270 N 1.79 0.46 0.00 5.19 0.00 -0.72 -3.27 119.26 122.71 1shl h ALA 270 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1shl h ALA 270 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1shl h ALA 270 CO 0.03 0.73 -0.53 0.00 0.00 0.00 0.00 179.25 179.48 1shl h ARG 271 N 0.39 0.00 -0.73 0.00 3.08 -0.22 -3.12 114.38 113.79 1shl h ARG 271 Ca -0.04 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.20 1shl h ARG 271 Cb 1.36 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.37 1shl h ARG 271 CO 0.14 0.53 0.51 0.45 -1.07 0.00 0.00 179.97 180.53 1shl h HIS 272 N 0.00 0.17 0.00 3.04 3.86 -1.42 -3.51 115.15 117.28 1shl h HIS 272 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1shl h HIS 272 Cb 1.04 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1shl h HIS 272 CO 0.00 0.05 0.00 1.19 0.86 0.00 0.00 177.93 180.03 1shl n PHE 273 N -4.38 0.00 0.00 2.45 3.01 -1.18 -5.14 117.46 112.21 1shl n PHE 273 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1shl n PHE 273 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1shl n PHE 273 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1shl n GLN 287 N 0.00 0.00 -3.92 -1.08 6.02 -1.26 -5.12 117.38 112.02 1shl n GLN 287 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1shl n GLN 287 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 1shl n GLN 287 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1shl s ILE 288 N 0.00 0.10 0.59 5.09 2.07 -1.26 -4.74 121.20 123.05 1shl s ILE 288 Ca 0.00 -0.81 -0.10 0.00 -1.41 0.00 0.00 60.65 58.33 1shl s ILE 288 Cb 0.00 -0.37 0.14 0.00 0.13 0.00 0.00 42.46 42.36 1shl s ILE 288 CO 0.00 -0.44 0.57 -2.65 -1.91 0.00 0.00 174.94 170.50 1shl n PRO 289 N 1.49 -1.82 -3.69 3.50 -0.02 -1.26 -4.68 135.00 128.52 1shl n PRO 289 Ca -0.23 -0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 60.22 1shl n PRO 289 Cb 0.55 -0.79 -0.03 0.00 -0.02 0.00 0.00 33.50 33.21 1shl n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1shl s VAL 291 N -2.79 -0.11 -0.27 0.00 1.01 -1.26 -3.12 120.40 113.87 1shl s VAL 291 Ca 0.26 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 1shl s VAL 291 Cb -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1shl s VAL 291 CO 0.18 0.04 0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1shl s VAL 292 N 1.57 3.50 -0.12 2.92 1.01 -0.41 -5.00 120.40 123.86 1shl s VAL 292 Ca -0.08 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1shl s VAL 292 Cb -0.09 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1shl s VAL 292 CO -0.13 0.17 -0.12 -0.55 0.00 0.00 0.00 175.10 174.47 1shl s SER 293 N 1.43 4.09 -0.03 3.32 0.15 -1.26 -1.12 113.70 120.28 1shl s SER 293 Ca 0.02 -0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.43 1shl s SER 293 Cb -0.17 -1.56 0.08 0.00 -1.71 0.00 0.00 66.02 62.66 1shl s SER 293 CO -0.01 0.18 1.04 0.23 1.20 0.00 0.00 173.24 175.88 1shl n MET 294 N 3.40 2.52 -1.93 5.44 2.81 -0.09 -5.03 117.12 124.24 1shl n MET 294 Ca -0.18 -1.77 -0.37 0.00 -1.81 0.00 0.00 57.70 53.57 1shl n MET 294 Cb 0.53 -1.12 0.03 0.00 -0.71 0.00 0.00 33.22 31.94 1shl n MET 294 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1shl s LEU 295 N -1.48 3.79 0.00 4.03 1.43 -1.19 -1.27 118.68 123.99 1shl s LEU 295 Ca 0.08 2.55 0.06 0.00 -1.03 0.00 0.00 54.13 55.79 1shl s LEU 295 Cb 0.07 -4.41 0.07 0.00 0.03 0.00 0.00 46.19 41.95 1shl s LEU 295 CO 0.01 -1.52 0.77 0.35 0.23 0.00 0.00 176.35 176.19 1shl n THR 296 N -1.22 0.18 -4.09 5.49 -2.24 -1.26 -4.81 114.28 106.33 1shl n THR 296 Ca 0.12 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 1shl n THR 296 Cb 0.47 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1shl n THR 296 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1shl s LYS 297 N -0.59 1.95 0.25 -0.78 -0.14 -1.26 -4.99 119.74 114.18 1shl s LYS 297 Ca 0.08 -1.79 -0.16 0.00 -1.36 0.00 0.00 55.97 52.74 1shl s LYS 297 Cb 0.05 0.45 -0.08 0.00 -1.68 0.00 0.00 37.83 36.57 1shl s LYS 297 CO 0.08 -0.81 0.69 -1.21 -0.76 0.00 0.00 175.35 173.33 1shl s GLU 298 N -2.97 4.08 -0.23 1.68 2.02 -0.31 -4.79 118.70 118.18 1shl s GLU 298 Ca 0.31 0.68 0.01 0.00 0.02 0.00 0.00 54.97 55.99 1shl s GLU 298 Cb -0.01 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.56 1shl s GLU 298 CO 0.21 0.31 -0.14 -1.17 0.02 0.00 0.00 175.26 174.50 1shl s LEU 299 N -2.41 2.87 -0.07 1.80 2.96 -1.26 -1.08 118.68 121.49 1shl s LEU 299 Ca 0.47 -1.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1shl s LEU 299 Cb -0.14 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1shl s LEU 299 CO 0.19 -0.10 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.68 1shl s TYR 300 N 1.22 2.76 -2.08 5.38 2.02 -1.26 -2.27 117.35 123.12 1shl s TYR 300 Ca -0.02 -0.25 0.24 0.00 -0.37 0.00 0.00 57.07 56.67 1shl s TYR 300 Cb -0.17 -1.69 1.30 0.00 -0.40 0.00 0.00 41.96 41.00 1shl s TYR 300 CO -0.08 0.11 1.85 1.19 -1.57 0.00 0.00 175.55 177.05 1shl n PHE 301 N 2.59 0.03 -2.70 2.71 3.72 -1.26 -4.86 117.46 117.69 1shl n PHE 301 Ca -0.17 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1shl n PHE 301 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1shl n PHE 301 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1shl n SER 302 N -0.62 0.38 0.00 4.37 3.41 -1.26 -4.97 113.62 114.93 1shl n SER 302 Ca 0.18 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1shl n SER 302 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1shl n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88