#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3del s LYS 35 N 0.00 2.61 -0.43 5.31 1.02 -1.26 -1.52 119.74 125.46 3del s LYS 35 Ca 0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.24 3del s LYS 35 Cb 0.00 -2.54 0.11 0.00 -0.52 0.00 0.00 37.83 34.88 3del s LYS 35 CO 0.00 0.61 0.27 0.12 -0.92 0.00 0.00 175.35 175.43 3del s PHE 36 N -0.98 3.46 -0.35 3.18 5.99 0.29 -4.86 117.98 124.71 3del s PHE 36 Ca 0.17 -2.00 -0.20 0.00 0.00 0.00 0.00 56.93 54.89 3del s PHE 36 Cb -0.11 -3.26 0.00 0.00 0.00 0.00 0.00 43.02 39.65 3del s PHE 36 CO 0.07 -0.96 0.63 0.42 -0.00 0.00 0.00 175.22 175.38 3del s ILE 37 N 1.29 4.90 -0.20 3.12 1.01 -1.26 -1.04 121.20 129.02 3del s ILE 37 Ca 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.26 3del s ILE 37 Cb -0.24 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 3del s ILE 37 CO -0.01 -0.30 -0.03 -0.69 0.00 0.00 0.00 174.94 173.91 3del s VAL 38 N 2.68 3.64 -0.04 2.92 1.01 -0.14 0.44 120.40 130.91 3del s VAL 38 Ca 0.24 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 3del s VAL 38 Cb -0.15 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3del s VAL 38 CO 0.14 0.43 0.50 -0.83 0.00 0.00 0.00 175.10 175.35 3del s GLY 39 N 1.15 2.50 0.07 4.51 0.00 0.07 -0.39 107.32 115.23 3del s GLY 39 Ca 0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.56 3del s GLY 39 CO 0.00 0.60 0.14 -1.08 0.00 0.00 0.00 173.10 172.76 3del s THR 40 N -0.15 0.15 -0.36 0.90 -1.32 -0.43 -2.12 115.64 112.32 3del s THR 40 Ca 0.27 -1.25 -0.01 0.00 -1.21 0.00 0.00 61.69 59.49 3del s THR 40 Cb -0.17 -1.27 0.09 0.00 -1.51 0.00 0.00 72.50 69.64 3del s THR 40 CO 0.14 -0.69 0.11 0.21 -2.21 0.00 0.00 174.62 172.17 3del s ASN 41 N -2.69 5.04 -1.41 8.08 2.47 -1.26 -1.55 114.94 123.61 3del s ASN 41 Ca 0.03 -1.80 -0.11 0.00 0.42 0.00 0.00 52.86 51.39 3del s ASN 41 Cb 0.04 -1.75 -0.05 0.00 -1.45 0.00 0.00 41.25 38.04 3del s ASN 41 CO -0.09 -0.42 2.56 0.00 -3.72 0.00 0.00 177.10 175.43 3del n ALA 42 N 4.54 6.28 -1.69 1.71 0.00 -1.26 -4.27 120.51 125.82 3del n ALA 42 Ca -0.05 -3.38 0.03 0.00 0.00 0.00 0.00 53.44 50.04 3del n ALA 42 Cb 0.42 -3.39 0.04 0.00 0.00 0.00 0.00 19.45 16.52 3del n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3del n THR 43 N 4.27 0.50 -3.24 0.00 -2.24 -1.21 -4.17 114.28 108.20 3del n THR 43 Ca 0.64 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 3del n THR 43 Cb 0.27 0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 3del n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3del n TYR 44 N -0.38 -1.08 -1.91 4.78 9.36 0.20 -5.02 117.16 123.12 3del n TYR 44 Ca 0.04 -3.17 -0.40 0.00 3.32 0.00 0.00 57.90 57.69 3del n TYR 44 Cb 0.67 0.20 -0.00 0.00 -0.63 0.00 0.00 39.34 39.58 3del n TYR 44 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3del s PRO 45 N -0.30 4.00 0.00 2.98 0.02 -1.20 -0.67 135.00 139.83 3del s PRO 45 Ca 0.33 2.38 0.17 0.00 0.02 0.00 0.00 61.00 63.91 3del s PRO 45 Cb 0.09 -2.85 0.51 0.00 0.02 0.00 0.00 34.50 32.27 3del s PRO 45 CO -0.16 -0.55 1.41 -0.35 -0.33 0.00 0.00 177.00 177.02 3del n PRO 46 N 0.26 1.96 0.09 5.54 -0.04 -1.26 -4.85 135.00 136.70 3del n PRO 46 Ca 0.02 -1.47 -0.12 0.00 -0.04 0.00 0.00 63.50 61.89 3del n PRO 46 Cb 0.41 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 3del n PRO 46 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3del h PHE 47 N 2.62 -0.25 -2.44 0.54 0.04 -1.25 -1.26 116.94 114.93 3del h PHE 47 Ca 0.00 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 3del h PHE 47 Cb 0.59 0.08 -0.23 0.00 2.20 0.00 0.00 35.95 38.59 3del h PHE 47 CO 0.22 0.13 -0.09 -1.83 -0.60 0.00 0.00 178.31 176.14 3del s GLU 48 N -4.23 0.62 0.31 1.51 1.03 -0.72 -0.56 118.70 116.66 3del s GLU 48 Ca -0.14 0.75 -0.19 0.00 0.03 0.00 0.00 54.97 55.42 3del s GLU 48 Cb 0.02 0.29 0.04 0.00 -0.80 0.00 0.00 34.13 33.68 3del s GLU 48 CO 0.55 -0.08 0.77 -0.59 -1.33 0.00 0.00 175.26 174.58 3del s PHE 49 N 0.33 -0.06 -0.23 4.83 -0.12 -0.43 -0.63 117.98 121.67 3del s PHE 49 Ca -0.00 -0.47 -0.09 0.00 -0.05 0.00 0.00 56.93 56.31 3del s PHE 49 Cb -0.04 0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 43.07 3del s PHE 49 CO 0.00 -1.34 0.11 0.08 -0.05 0.00 0.00 175.22 174.02 3del s VAL 50 N -3.22 4.90 0.84 -2.49 1.01 -1.26 -0.82 120.40 119.35 3del s VAL 50 Ca 0.13 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 3del s VAL 50 Cb -0.05 -3.27 0.20 0.00 0.00 0.00 0.00 36.38 33.25 3del s VAL 50 CO 0.08 0.36 0.99 -0.90 0.00 0.00 0.00 175.10 175.63 3del n ASP 51 N 4.41 -0.57 0.00 3.32 5.68 -0.27 -4.91 116.55 124.22 3del n ASP 51 Ca -0.16 -1.26 0.12 0.00 -0.50 0.00 0.00 54.79 52.99 3del n ASP 51 Cb 0.52 -0.80 0.55 0.00 -1.14 0.00 0.00 41.12 40.25 3del n ASP 51 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3del n LYS 52 N -3.52 0.06 0.00 0.11 4.76 -1.26 -1.53 118.16 116.78 3del n LYS 52 Ca 0.13 0.07 0.14 0.00 -2.87 0.00 0.00 58.31 55.78 3del n LYS 52 Cb 0.46 -1.50 0.61 0.00 -1.84 0.00 0.00 35.03 32.76 3del n LYS 52 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3del n ARG 53 N -1.46 0.03 -0.84 1.97 1.74 -1.26 -4.92 116.66 111.92 3del n ARG 53 Ca 0.07 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3del n ARG 53 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3del n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3del n GLY 54 N 1.48 0.55 3.88 -0.13 0.00 -0.58 -5.05 105.19 105.34 3del n GLY 54 Ca 0.07 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3del n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3del s GLU 55 N -0.58 3.71 -0.15 1.61 0.41 -1.26 -4.85 118.70 117.59 3del s GLU 55 Ca 0.00 0.09 -0.27 0.00 -0.41 0.00 0.00 54.97 54.38 3del s GLU 55 Cb 0.00 -2.93 -0.01 0.00 -1.78 0.00 0.00 34.13 29.41 3del s GLU 55 CO 0.00 0.52 0.92 0.08 -0.49 0.00 0.00 175.26 176.29 3del s VAL 56 N -1.50 4.82 0.35 2.63 1.01 -1.26 -1.11 120.40 125.33 3del s VAL 56 Ca 0.36 1.84 0.04 0.00 0.00 0.00 0.00 61.98 64.22 3del s VAL 56 Cb -0.13 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3del s VAL 56 CO 0.20 0.00 0.05 0.68 0.00 0.00 0.00 175.10 176.03 3del s VAL 57 N 2.18 1.33 0.00 2.92 -7.23 -0.00 -4.97 120.40 114.63 3del s VAL 57 Ca 0.43 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3del s VAL 57 Cb -0.17 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.96 3del s VAL 57 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3del n GLY 58 N -0.76 1.44 0.18 2.32 0.00 -1.26 -1.31 105.19 105.80 3del n GLY 58 Ca -0.03 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 3del n GLY 58 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3del h PHE 59 N 0.00 0.30 -0.22 1.61 3.57 -0.73 -1.22 116.94 120.24 3del h PHE 59 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3del h PHE 59 Cb 0.00 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3del h PHE 59 CO 0.00 0.12 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.67 3del h ASP 60 N 0.34 0.33 -0.15 0.41 3.32 -1.06 -0.62 116.42 118.99 3del h ASP 60 Ca 0.19 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3del h ASP 60 Cb 0.16 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3del h ASP 60 CO -0.18 0.46 -0.27 0.40 -1.72 0.00 0.00 179.24 177.93 3del h ILE 61 N 0.33 1.36 -0.84 0.35 1.08 -1.53 0.40 117.51 118.65 3del h ILE 61 Ca 0.07 -1.51 -0.03 0.00 -0.39 0.00 0.00 64.86 63.00 3del h ILE 61 Cb 0.37 1.97 -0.04 0.00 -3.07 0.00 0.00 36.82 36.05 3del h ILE 61 CO 0.02 0.45 0.40 0.44 -0.69 0.00 0.00 178.15 178.77 3del h ASP 62 N 0.07 1.10 -0.20 1.72 5.19 -1.11 -1.61 116.42 121.58 3del h ASP 62 Ca 0.01 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 3del h ASP 62 Cb 0.85 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 3del h ASP 62 CO 0.06 0.93 0.04 0.25 -3.12 0.00 0.00 179.24 177.40 3del h LEU 63 N 1.20 0.31 -1.17 1.55 5.85 -1.03 -1.99 115.31 120.04 3del h LEU 63 Ca 0.29 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3del h LEU 63 Cb 0.12 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3del h LEU 63 CO -0.04 0.47 0.58 0.00 -0.34 0.00 0.00 178.44 179.12 3del h ALA 64 N 0.85 1.58 -0.41 1.25 0.00 -0.78 0.27 119.26 122.01 3del h ALA 64 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3del h ALA 64 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3del h ALA 64 CO 0.00 0.26 -0.21 -0.09 0.00 0.00 0.00 179.25 179.21 3del h ARG 65 N 0.95 0.87 -0.78 0.00 2.43 -1.13 -0.41 114.38 116.31 3del h ARG 65 Ca 0.41 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3del h ARG 65 Cb 0.32 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3del h ARG 65 CO -0.17 1.03 0.30 0.93 -1.51 0.00 0.00 179.97 180.56 3del h GLU 66 N 0.69 1.17 -0.14 0.20 4.39 -0.77 -1.45 114.58 118.69 3del h GLU 66 Ca 0.09 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3del h GLU 66 Cb 0.78 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3del h GLU 66 CO 0.06 0.96 0.02 0.82 -1.16 0.00 0.00 179.01 179.71 3del h ILE 67 N 1.14 1.22 -0.85 3.13 2.04 -0.87 -1.96 117.51 121.36 3del h ILE 67 Ca 0.26 -0.70 0.09 0.00 1.00 0.00 0.00 64.86 65.51 3del h ILE 67 Cb 0.23 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 3del h ILE 67 CO -0.02 0.21 0.50 0.77 0.00 0.00 0.00 178.15 179.61 3del h SER 68 N 0.01 0.74 -0.57 1.72 4.64 -0.93 0.39 113.55 119.54 3del h SER 68 Ca 0.04 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3del h SER 68 Cb 0.30 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3del h SER 68 CO 0.00 0.44 0.32 0.78 -0.87 0.00 0.00 176.83 177.50 3del h ASN 69 N 0.86 0.70 -0.40 4.97 2.35 -1.15 -0.51 115.58 122.39 3del h ASN 69 Ca 0.40 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 3del h ASN 69 Cb 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3del h ASN 69 CO -0.23 0.58 0.10 0.11 -1.65 0.00 0.00 177.43 176.34 3del h LYS 70 N 0.77 0.72 0.00 0.81 1.79 -0.51 -2.56 116.57 117.59 3del h LYS 70 Ca 0.20 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3del h LYS 70 Cb 0.02 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3del h LYS 70 CO -0.03 0.67 0.00 1.28 -1.08 0.00 0.00 179.45 180.29 3del n LEU 71 N -4.28 0.12 -1.73 2.94 4.77 0.04 -4.93 117.00 113.92 3del n LEU 71 Ca 0.03 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3del n LEU 71 Cb 0.22 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3del n LEU 71 CO 0.39 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3del n GLY 72 N 1.06 0.04 3.38 -0.72 0.00 -0.59 -5.04 105.19 103.31 3del n GLY 72 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 3del n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3del s LYS 73 N -5.15 1.43 -0.18 1.61 1.02 -0.30 -4.70 119.74 113.46 3del s LYS 73 Ca 0.16 -1.68 -0.19 0.00 0.02 0.00 0.00 55.97 54.29 3del s LYS 73 Cb -0.07 -1.13 -0.03 0.00 -0.52 0.00 0.00 37.83 36.07 3del s LYS 73 CO 0.20 0.12 0.52 0.99 -0.92 0.00 0.00 175.35 176.27 3del s THR 74 N -2.99 5.12 0.20 2.17 2.01 -0.58 -4.23 115.64 117.34 3del s THR 74 Ca 0.26 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 3del s THR 74 Cb 0.01 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 3del s THR 74 CO 0.09 0.21 1.28 -0.22 -0.69 0.00 0.00 174.62 175.29 3del s LEU 75 N 1.39 4.43 -0.29 4.42 2.96 -1.26 -0.55 118.68 129.78 3del s LEU 75 Ca 0.25 2.37 -0.01 0.00 -0.22 0.00 0.00 54.13 56.53 3del s LEU 75 Cb -0.15 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.02 3del s LEU 75 CO 0.10 -0.48 0.08 -0.62 -1.32 0.00 0.00 176.35 174.11 3del s ASP 76 N 0.23 3.90 -0.16 3.68 2.15 -0.21 -4.88 116.67 121.38 3del s ASP 76 Ca 0.55 -1.52 -0.24 0.00 0.43 0.00 0.00 52.55 51.77 3del s ASP 76 Cb -0.36 -0.87 -0.02 0.00 -0.30 0.00 0.00 42.92 41.37 3del s ASP 76 CO 0.39 -0.39 0.76 -0.69 -0.17 0.00 0.00 175.17 175.07 3del s VAL 77 N 1.62 4.94 -0.05 1.11 1.01 -1.26 -0.97 120.40 126.80 3del s VAL 77 Ca 0.07 1.50 0.06 0.00 0.00 0.00 0.00 61.98 63.61 3del s VAL 77 Cb -0.17 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3del s VAL 77 CO -0.21 0.08 -0.22 -0.13 0.00 0.00 0.00 175.10 174.62 3del s ARG 78 N 1.86 2.19 0.01 2.72 0.52 0.48 -4.96 118.95 121.77 3del s ARG 78 Ca 0.36 -0.80 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 3del s ARG 78 Cb -0.17 -1.91 -0.06 0.00 0.52 0.00 0.00 34.95 33.34 3del s ARG 78 CO 0.13 0.36 0.42 -1.21 0.02 0.00 0.00 175.30 175.02 3del s GLU 79 N -0.17 3.93 0.07 3.54 2.02 -1.26 -1.32 118.70 125.51 3del s GLU 79 Ca -0.01 0.43 -0.09 0.00 0.02 0.00 0.00 54.97 55.32 3del s GLU 79 Cb -0.12 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 3del s GLU 79 CO 0.02 0.69 0.18 -0.06 0.02 0.00 0.00 175.26 176.12 3del s PHE 80 N -1.08 0.12 0.39 1.61 0.08 -0.60 -4.93 117.98 113.57 3del s PHE 80 Ca 0.24 -0.46 -0.26 0.00 0.12 0.00 0.00 56.93 56.57 3del s PHE 80 Cb -0.17 -0.06 -0.11 0.00 -0.57 0.00 0.00 43.02 42.11 3del s PHE 80 CO 0.14 -0.49 1.10 0.43 -0.10 0.00 0.00 175.22 176.31 3del n SER 81 N 0.28 1.75 -0.26 1.36 7.64 -1.26 -4.12 113.62 119.02 3del n SER 81 Ca -0.17 1.10 0.03 0.00 1.01 0.00 0.00 58.87 60.84 3del n SER 81 Cb 0.61 -1.39 0.16 0.00 -1.01 0.00 0.00 64.21 62.58 3del n SER 81 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3del h PHE 82 N 1.88 0.68 0.00 1.43 3.57 -1.94 -1.66 116.94 120.90 3del h PHE 82 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3del h PHE 82 Cb 1.32 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3del h PHE 82 CO 0.46 0.23 0.00 -0.25 -2.23 0.00 0.00 178.31 176.52 3del n ASP 83 N -4.85 0.00 -0.12 0.41 8.00 -1.26 -2.03 116.55 116.69 3del n ASP 83 Ca 0.13 -0.17 0.08 0.00 0.71 0.00 0.00 54.79 55.53 3del n ASP 83 Cb 0.31 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3del n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3del n ALA 84 N -1.18 3.83 -0.01 2.24 0.00 -0.63 -4.72 120.51 120.03 3del n ALA 84 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 3del n ALA 84 Cb 0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3del n ALA 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3del h LEU 85 N 0.61 0.11 -0.32 0.00 3.38 -1.36 -2.63 115.31 115.10 3del h LEU 85 Ca 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3del h LEU 85 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3del h LEU 85 CO 0.00 0.31 0.12 0.40 0.09 0.00 0.00 178.44 179.36 3del h ILE 86 N -0.10 1.19 -0.48 1.22 1.08 -1.84 -1.75 117.51 116.82 3del h ILE 86 Ca 0.02 -0.57 0.08 0.00 -0.39 0.00 0.00 64.86 64.00 3del h ILE 86 Cb 0.24 0.97 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 3del h ILE 86 CO 0.00 0.20 0.10 0.25 -0.69 0.00 0.00 178.15 178.01 3del h LEU 87 N 0.37 0.01 -0.93 1.44 5.85 -1.85 -0.54 115.31 119.65 3del h LEU 87 Ca 0.11 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3del h LEU 87 Cb 0.19 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3del h LEU 87 CO -0.01 0.04 0.24 0.78 -0.34 0.00 0.00 178.44 179.15 3del h ASN 88 N 0.24 0.94 -0.36 1.25 4.21 -1.33 -0.92 115.58 119.61 3del h ASN 88 Ca 0.24 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.60 3del h ASN 88 Cb 0.31 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 3del h ASN 88 CO -0.31 0.86 0.23 0.25 -1.29 0.00 0.00 177.43 177.17 3del h LEU 89 N 0.99 0.42 -0.89 1.61 5.85 -0.67 -0.63 115.31 122.00 3del h LEU 89 Ca 0.23 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3del h LEU 89 Cb 0.24 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3del h LEU 89 CO -0.01 0.33 -0.19 0.11 -0.34 0.00 0.00 178.44 178.34 3del h LYS 90 N 0.48 0.60 0.00 1.25 1.57 -0.88 -2.08 116.57 117.51 3del h LYS 90 Ca 0.13 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3del h LYS 90 Cb -0.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3del h LYS 90 CO -0.03 0.76 0.00 1.04 -0.57 0.00 0.00 179.45 180.65 3del n GLN 91 N -4.14 0.79 -2.01 3.15 6.02 -0.37 -4.91 117.38 115.92 3del n GLN 91 Ca 0.00 0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3del n GLN 91 Cb 0.39 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 3del n GLN 91 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3del n HIS 92 N -1.04 -0.50 0.15 1.08 8.25 -0.78 -4.88 115.22 117.49 3del n HIS 92 Ca 0.20 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 3del n HIS 92 Cb 0.11 -3.68 0.15 0.00 1.12 0.00 0.00 29.99 27.69 3del n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3del h ARG 93 N 0.00 0.00 -5.40 -0.41 -0.00 -1.37 -3.45 114.38 103.75 3del h ARG 93 Ca -0.45 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 58.62 3del h ARG 93 Cb 1.35 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 31.17 3del h ARG 93 CO 0.59 0.54 -0.73 0.96 0.00 0.00 0.00 179.97 181.34 3del s ILE 94 N -3.27 1.55 -0.12 2.04 -4.36 -1.22 -5.02 121.20 110.81 3del s ILE 94 Ca 0.01 -2.16 0.16 0.00 -0.26 0.00 0.00 60.65 58.40 3del s ILE 94 Cb 0.10 -1.99 -0.23 0.00 1.25 0.00 0.00 42.46 41.59 3del s ILE 94 CO 0.73 -0.64 0.45 0.47 0.24 0.00 0.00 174.94 176.19 3del n ASP 95 N -0.32 0.46 -3.66 4.36 8.00 0.17 -4.60 116.55 120.96 3del n ASP 95 Ca -0.09 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 3del n ASP 95 Cb 0.60 0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 42.19 3del n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3del s ALA 96 N -2.68 -1.05 -0.24 2.24 0.00 -0.93 -4.64 121.76 114.45 3del s ALA 96 Ca -0.07 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 3del s ALA 96 Cb 0.08 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3del s ALA 96 CO 0.83 -0.44 0.03 0.08 0.00 0.00 0.00 175.76 176.26 3del s VAL 97 N -2.30 4.00 -0.25 0.00 1.01 -0.45 -0.75 120.40 121.66 3del s VAL 97 Ca -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3del s VAL 97 Cb -0.01 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.59 3del s VAL 97 CO -0.01 0.37 0.06 -0.63 0.00 0.00 0.00 175.10 174.89 3del s ILE 98 N 1.54 0.66 -0.07 2.22 1.01 -0.90 -0.73 121.20 124.94 3del s ILE 98 Ca 0.06 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.86 3del s ILE 98 Cb -0.15 -1.30 0.15 0.00 0.01 0.00 0.00 42.46 41.17 3del s ILE 98 CO 0.01 -0.42 1.12 1.07 0.00 0.00 0.00 174.94 176.72 3del n THR 99 N 4.97 0.05 -3.33 2.92 5.66 -1.26 -4.43 114.28 118.87 3del n THR 99 Ca -0.06 -0.43 -0.23 0.00 -3.05 0.00 0.00 64.05 60.27 3del n THR 99 Cb 0.45 0.69 0.06 0.00 -1.55 0.00 0.00 70.33 69.97 3del n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3del n GLY 100 N -0.20 -0.54 3.70 1.09 0.00 -1.26 -4.85 105.19 103.14 3del n GLY 100 Ca -0.20 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3del n GLY 100 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3del s MET 101 N -6.03 4.43 0.24 1.61 0.00 -1.26 -4.39 119.30 113.90 3del s MET 101 Ca 0.45 1.10 -0.30 0.00 0.00 0.00 0.00 55.69 56.95 3del s MET 101 Cb -0.20 -3.50 -0.09 0.00 0.00 0.00 0.00 34.83 31.04 3del s MET 101 CO 0.56 -0.11 1.26 -1.12 0.00 0.00 0.00 175.02 175.61 3del s SER 102 N 0.98 6.96 -0.49 1.11 0.01 -0.91 -1.66 113.70 119.69 3del s SER 102 Ca 0.42 2.43 -0.29 0.00 1.31 0.00 0.00 55.95 59.82 3del s SER 102 Cb -0.18 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.45 3del s SER 102 CO 0.19 -0.44 1.25 -0.63 0.41 0.00 0.00 173.24 174.02 3del s ILE 103 N -0.44 4.05 0.10 1.44 1.01 -0.37 -4.82 121.20 122.16 3del s ILE 103 Ca 0.52 1.03 0.10 0.00 0.00 0.00 0.00 60.65 62.30 3del s ILE 103 Cb -0.36 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.57 3del s ILE 103 CO 0.42 -1.02 -0.24 0.42 0.00 0.00 0.00 174.94 174.52 3del s THR 104 N 4.98 2.43 0.35 2.92 -4.23 -1.26 -0.05 115.64 120.77 3del s THR 104 Ca 0.51 -1.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.58 3del s THR 104 Cb -0.09 -2.05 0.34 0.00 1.34 0.00 0.00 72.50 72.03 3del s THR 104 CO 0.30 0.18 1.78 -0.65 -0.54 0.00 0.00 174.62 175.70 3del h PRO 105 N 4.12 0.57 -0.17 3.99 0.11 -1.82 -1.65 132.00 137.15 3del h PRO 105 Ca -0.49 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.62 3del h PRO 105 Cb 1.16 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3del h PRO 105 CO 0.42 0.38 -0.05 1.03 -0.21 0.00 0.00 178.00 179.57 3del h SER 106 N 0.59 -0.19 -0.19 -2.05 0.87 -1.92 -2.88 113.55 107.79 3del h SER 106 Ca 0.57 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 61.11 3del h SER 106 Cb 1.13 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 3del h SER 106 CO -0.33 -0.07 -0.12 0.03 -0.53 0.00 0.00 176.83 175.80 3del h ARG 107 N -0.02 0.57 0.00 2.24 3.08 -1.78 -2.64 114.38 115.84 3del h ARG 107 Ca 0.08 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3del h ARG 107 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3del h ARG 107 CO -0.18 0.69 0.00 1.28 -1.07 0.00 0.00 179.97 180.68 3del n LEU 108 N -4.19 0.11 0.22 3.04 4.77 -0.68 -0.94 117.00 119.33 3del n LEU 108 Ca 0.01 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 3del n LEU 108 Cb 0.34 -0.52 0.26 0.00 -2.33 0.00 0.00 43.42 41.16 3del n LEU 108 CO 0.41 -0.35 0.84 0.11 -1.33 0.00 0.00 177.39 177.07 3del h LYS 109 N 0.00 0.00 0.00 3.23 6.56 -1.31 -3.40 116.57 121.65 3del h LYS 109 Ca 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 3del h LYS 109 Cb 0.22 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3del h LYS 109 CO 0.00 0.00 -1.39 0.39 -2.06 0.00 0.00 179.45 176.39 3del n GLU 110 N -3.03 1.80 -4.13 3.15 1.02 -0.12 -5.09 120.64 114.25 3del n GLU 110 Ca 0.04 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 3del n GLU 110 Cb 0.49 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 3del n GLU 110 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3del s ILE 111 N -2.14 0.05 0.07 -3.67 -4.36 -0.36 -4.45 121.20 106.34 3del s ILE 111 Ca -0.06 -1.82 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 3del s ILE 111 Cb 0.02 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.47 3del s ILE 111 CO 0.20 -0.23 0.51 -0.76 0.24 0.00 0.00 174.94 174.90 3del s LEU 112 N -3.07 4.47 -0.08 0.37 1.43 0.21 -4.37 118.68 117.63 3del s LEU 112 Ca 0.28 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 3del s LEU 112 Cb 0.06 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.41 3del s LEU 112 CO 0.06 0.25 -0.06 -0.04 0.23 0.00 0.00 176.35 176.79 3del s MET 113 N -1.32 1.18 -0.31 1.70 -1.94 -1.26 -0.46 119.30 116.90 3del s MET 113 Ca 0.29 -0.16 -0.16 0.00 -1.71 0.00 0.00 55.69 53.95 3del s MET 113 Cb -0.18 -1.24 -0.02 0.00 2.01 0.00 0.00 34.83 35.40 3del s MET 113 CO 0.17 -0.18 0.41 0.42 -0.01 0.00 0.00 175.02 175.83 3del s ILE 114 N 1.41 5.13 0.38 2.53 1.09 0.04 -4.84 121.20 126.94 3del s ILE 114 Ca -0.02 0.35 -0.27 0.00 -1.10 0.00 0.00 60.65 59.62 3del s ILE 114 Cb -0.13 -3.80 -0.09 0.00 -1.06 0.00 0.00 42.46 37.37 3del s ILE 114 CO -0.04 -0.01 1.25 -2.84 -0.10 0.00 0.00 174.94 173.20 3del s PRO 115 N 2.13 4.13 0.00 2.79 0.02 -1.26 -0.44 135.00 142.38 3del s PRO 115 Ca 0.15 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3del s PRO 115 Cb -0.16 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3del s PRO 115 CO 0.11 -0.32 0.00 2.48 -0.33 0.00 0.00 177.00 178.94 3del n TYR 116 N 0.34 0.00 -3.55 6.54 0.18 -0.71 -4.91 117.16 115.05 3del n TYR 116 Ca 0.03 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.64 3del n TYR 116 Cb 0.44 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.34 3del n TYR 116 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3del s TYR 117 N -0.14 -0.68 0.00 -3.48 5.04 -1.23 -5.04 117.35 111.82 3del s TYR 117 Ca 0.00 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 3del s TYR 117 Cb 0.00 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.68 3del s TYR 117 CO 0.00 -0.55 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 3del n GLY 118 N 1.35 2.42 3.78 8.97 0.00 -1.26 0.02 105.19 120.46 3del n GLY 118 Ca -0.18 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 3del n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3del s GLU 119 N -3.86 4.33 0.20 1.61 0.41 -1.26 -4.50 118.70 115.62 3del s GLU 119 Ca 0.00 1.56 -0.30 0.00 -0.41 0.00 0.00 54.97 55.82 3del s GLU 119 Cb 0.00 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.53 3del s GLU 119 CO 0.00 -0.00 1.30 -1.21 -0.49 0.00 0.00 175.26 174.86 3del s GLU 120 N -2.18 4.40 -0.32 1.61 2.02 -1.26 -3.15 118.70 119.82 3del s GLU 120 Ca 0.54 2.04 0.04 0.00 0.02 0.00 0.00 54.97 57.60 3del s GLU 120 Cb -0.24 -3.20 0.09 0.00 0.10 0.00 0.00 34.13 30.88 3del s GLU 120 CO 0.30 -0.24 0.02 0.42 0.02 0.00 0.00 175.26 175.79 3del s ILE 121 N 0.10 2.21 -0.15 -1.63 1.01 0.70 -4.89 121.20 118.56 3del s ILE 121 Ca 0.56 -2.18 0.02 0.00 0.00 0.00 0.00 60.65 59.06 3del s ILE 121 Cb -0.36 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3del s ILE 121 CO 0.38 -0.49 0.23 0.29 0.00 0.00 0.00 174.94 175.35 3del n LYS 122 N 4.31 4.22 -3.82 2.79 5.02 -1.26 -2.41 118.16 127.01 3del n LYS 122 Ca 0.00 -0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 3del n LYS 122 Cb 0.42 -0.73 -0.05 0.00 -0.02 0.00 0.00 35.03 34.65 3del n LYS 122 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3del s HIS 123 N -0.89 0.07 0.28 2.13 -3.43 -1.26 -1.93 115.29 110.27 3del s HIS 123 Ca 0.01 -0.43 0.05 0.00 -0.80 0.00 0.00 55.06 53.90 3del s HIS 123 Cb 0.02 0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 31.31 3del s HIS 123 CO 0.07 -0.82 -0.02 -0.51 -2.00 0.00 0.00 174.74 171.46 3del s LEU 124 N -2.90 2.37 -0.23 5.38 1.43 0.27 -4.46 118.68 120.54 3del s LEU 124 Ca 0.11 -1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 51.95 3del s LEU 124 Cb 0.01 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.73 3del s LEU 124 CO -0.03 -0.43 -0.05 -0.69 0.23 0.00 0.00 176.35 175.38 3del s VAL 125 N -3.15 3.10 -0.06 -1.59 1.01 0.02 -0.94 120.40 118.79 3del s VAL 125 Ca 0.31 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 3del s VAL 125 Cb 0.05 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3del s VAL 125 CO 0.12 0.31 0.77 -0.22 0.00 0.00 0.00 175.10 176.08 3del s LEU 126 N 1.40 4.32 -0.05 3.92 2.96 0.24 -1.01 118.68 130.46 3del s LEU 126 Ca 0.03 1.29 0.06 0.00 -0.22 0.00 0.00 54.13 55.29 3del s LEU 126 Cb -0.15 -3.19 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 3del s LEU 126 CO -0.04 -0.16 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.89 3del s VAL 127 N 0.92 1.98 0.21 1.68 1.01 0.73 -0.93 120.40 126.00 3del s VAL 127 Ca 0.41 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 3del s VAL 127 Cb -0.18 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.57 3del s VAL 127 CO 0.20 0.55 0.67 0.72 0.00 0.00 0.00 175.10 177.24 3del s PHE 128 N -0.24 -0.37 -0.24 5.22 -0.12 -0.63 -0.73 117.98 120.87 3del s PHE 128 Ca -0.01 0.04 -0.09 0.00 -0.05 0.00 0.00 56.93 56.82 3del s PHE 128 Cb -0.13 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 3del s PHE 128 CO 0.03 -1.02 0.13 0.21 -0.05 0.00 0.00 175.22 174.51 3del s LYS 129 N -3.81 3.91 3.59 1.99 2.20 -1.26 0.45 119.74 126.80 3del s LYS 129 Ca 0.06 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 3del s LYS 129 Cb -0.03 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 3del s LYS 129 CO -0.03 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 3del n GLY 130 N 4.51 0.45 3.82 5.54 0.00 -1.26 -4.92 105.19 113.34 3del n GLY 130 Ca -0.15 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3del n GLY 130 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3del s GLU 131 N 0.00 4.19 -0.34 1.61 0.41 -1.26 -4.78 118.70 118.53 3del s GLU 131 Ca 0.00 0.82 0.02 0.00 -0.41 0.00 0.00 54.97 55.40 3del s GLU 131 Cb 0.00 -2.78 0.15 0.00 -1.78 0.00 0.00 34.13 29.72 3del s GLU 131 CO 0.00 0.34 0.36 1.21 -0.49 0.00 0.00 175.26 176.68 3del s ASN 132 N -1.79 1.17 0.13 -0.19 3.84 -1.26 -5.04 114.94 111.80 3del s ASN 132 Ca 0.45 -1.24 -0.13 0.00 0.21 0.00 0.00 52.86 52.16 3del s ASN 132 Cb -0.15 0.63 -0.02 0.00 -0.55 0.00 0.00 41.25 41.15 3del s ASN 132 CO 0.20 -0.30 1.52 0.50 -2.79 0.00 0.00 177.10 176.23 3del h LYS 133 N 7.48 0.85 -3.12 0.43 3.64 -2.02 -3.37 116.57 120.46 3del h LYS 133 Ca -0.01 -0.36 -0.62 0.00 -1.27 0.00 0.00 60.65 58.39 3del h LYS 133 Cb 1.07 -0.03 -0.41 0.00 -0.41 0.00 0.00 32.23 32.45 3del h LYS 133 CO 0.24 1.00 -0.67 -1.01 -2.27 0.00 0.00 179.45 176.74 3del s HIS 134 N -4.68 2.78 0.40 1.91 3.76 -1.26 -4.98 115.29 113.22 3del s HIS 134 Ca -0.12 -2.94 0.14 0.00 -0.15 0.00 0.00 55.06 51.99 3del s HIS 134 Cb 0.11 -2.39 0.98 0.00 1.11 0.00 0.00 32.58 32.39 3del s HIS 134 CO 0.84 -0.71 1.90 -1.35 -0.85 0.00 0.00 174.74 174.57 3del h PRO 135 N 6.24 0.49 -6.24 8.40 0.11 -2.01 -3.42 132.00 135.57 3del h PRO 135 Ca 0.02 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.53 3del h PRO 135 Cb 0.87 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.77 3del h PRO 135 CO 0.61 0.33 -0.65 -0.51 -0.21 0.00 0.00 178.00 177.57 3del s LEU 136 N -9.51 3.18 0.68 2.35 1.43 -1.26 -4.51 118.68 111.04 3del s LEU 136 Ca -0.09 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3del s LEU 136 Cb 0.21 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3del s LEU 136 CO 0.77 0.02 1.07 -2.16 0.23 0.00 0.00 176.35 176.29 3del s PRO 137 N -3.53 3.05 0.34 1.29 0.04 -1.26 -5.03 135.00 129.90 3del s PRO 137 Ca 0.30 0.60 0.26 0.00 0.04 0.00 0.00 61.00 62.21 3del s PRO 137 Cb -0.07 -2.03 1.02 0.00 0.04 0.00 0.00 34.50 33.46 3del s PRO 137 CO 0.19 -0.93 1.79 -0.07 0.04 0.00 0.00 177.00 178.02 3del h LEU 138 N -0.58 0.00 -2.62 -3.56 3.38 -1.97 -2.80 115.31 107.16 3del h LEU 138 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3del h LEU 138 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3del h LEU 138 CO 0.62 0.00 -0.01 0.71 0.09 0.00 0.00 178.44 179.86 3del h THR 139 N 0.00 0.09 0.00 0.22 1.35 -1.89 -3.07 112.91 109.61 3del h THR 139 Ca 0.00 -0.12 -0.06 0.00 -0.55 0.00 0.00 66.41 65.67 3del h THR 139 Cb 0.49 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3del h THR 139 CO 0.00 0.01 -0.29 0.06 -0.25 0.00 0.00 175.52 175.05 3del h GLN 140 N 0.00 0.00 -6.54 4.72 3.07 -1.81 -3.45 115.11 111.10 3del h GLN 140 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 3del h GLN 140 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.64 3del h GLN 140 CO 0.00 0.29 0.23 0.71 0.09 0.00 0.00 178.83 180.15 3del s TYR 141 N -3.81 3.89 0.44 0.06 2.02 -1.16 -4.95 117.35 113.84 3del s TYR 141 Ca -0.01 1.68 0.11 0.00 -0.37 0.00 0.00 57.07 58.49 3del s TYR 141 Cb 0.12 -2.84 0.99 0.00 -0.40 0.00 0.00 41.96 39.82 3del s TYR 141 CO 0.66 0.44 2.04 0.07 -1.57 0.00 0.00 175.55 177.20 3del h ARG 142 N 4.59 0.22 -2.74 -0.62 -0.00 -1.91 -3.42 114.38 110.50 3del h ARG 142 Ca -0.46 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.98 59.43 3del h ARG 142 Cb 1.21 -0.04 -0.17 0.00 -0.00 0.00 0.00 29.97 30.96 3del h ARG 142 CO 0.68 0.23 -0.00 -1.54 -0.00 0.00 0.00 179.97 179.33 3del s SER 143 N -6.90 -0.41 -0.17 0.08 1.04 -1.26 -4.77 113.70 101.31 3del s SER 143 Ca -0.06 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3del s SER 143 Cb 0.17 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.78 3del s SER 143 CO 0.71 -0.66 -0.11 -0.69 0.98 0.00 0.00 173.24 173.47 3del s VAL 144 N -2.15 1.50 0.18 5.02 1.01 0.67 -4.13 120.40 122.50 3del s VAL 144 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3del s VAL 144 Cb -0.01 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3del s VAL 144 CO 0.01 0.29 0.99 0.00 0.00 0.00 0.00 175.10 176.39 3del s ALA 145 N 1.49 3.31 0.07 5.51 0.00 -0.48 -1.27 121.76 130.39 3del s ALA 145 Ca 0.02 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 3del s ALA 145 Cb -0.14 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.75 3del s ALA 145 CO -0.09 0.00 0.49 0.54 0.00 0.00 0.00 175.76 176.70 3del s VAL 146 N -0.51 0.04 -0.11 0.00 0.11 -0.34 -1.42 120.40 118.17 3del s VAL 146 Ca 0.45 -0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 3del s VAL 146 Cb -0.26 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 3del s VAL 146 CO 0.32 -0.17 0.70 -1.58 -3.33 0.00 0.00 175.10 171.04 3del s GLN 147 N -2.81 4.37 0.28 1.54 0.74 -1.26 -1.00 119.66 121.53 3del s GLN 147 Ca -0.03 0.84 -0.29 0.00 0.05 0.00 0.00 55.36 55.93 3del s GLN 147 Cb -0.00 -3.49 -0.14 0.00 1.10 0.00 0.00 33.01 30.48 3del s GLN 147 CO -0.05 -0.05 1.12 2.41 -0.55 0.00 0.00 175.29 178.17 3del n THR 148 N 4.10 1.80 -0.95 -0.34 -1.04 0.70 -3.04 114.28 115.51 3del n THR 148 Ca -0.01 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 3del n THR 148 Cb 0.51 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 3del n THR 148 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3del n GLY 149 N 1.28 0.80 3.95 3.41 0.00 -1.26 -4.94 105.19 108.44 3del n GLY 149 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3del n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3del s THR 150 N -3.18 4.37 0.21 2.61 -4.23 -1.17 -0.94 115.64 113.31 3del s THR 150 Ca 0.00 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 3del s THR 150 Cb 0.00 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.39 3del s THR 150 CO 0.00 -0.41 1.79 0.22 -0.54 0.00 0.00 174.62 175.67 3del h TYR 151 N 0.53 1.16 -0.80 3.99 3.20 -1.91 -2.79 116.97 120.34 3del h TYR 151 Ca -0.47 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.41 3del h TYR 151 Cb 1.24 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 3del h TYR 151 CO 0.47 0.86 0.52 -0.56 -1.64 0.00 0.00 178.16 177.82 3del h GLN 152 N 1.12 0.78 -0.21 1.82 -0.00 -1.94 0.10 115.11 116.78 3del h GLN 152 Ca 0.26 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 3del h GLN 152 Cb 0.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 3del h GLN 152 CO -0.03 0.51 0.13 1.49 -0.00 0.00 0.00 178.83 180.94 3del h GLU 153 N 0.80 0.26 -0.59 0.06 4.81 -1.72 -1.02 114.58 117.18 3del h GLU 153 Ca 0.36 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3del h GLU 153 Cb 0.35 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3del h GLU 153 CO -0.13 0.17 0.36 0.00 -0.73 0.00 0.00 179.01 178.68 3del h ALA 154 N 1.08 0.76 -0.16 2.92 0.00 -1.08 0.17 119.26 122.95 3del h ALA 154 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3del h ALA 154 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3del h ALA 154 CO -0.02 0.09 -0.09 -0.92 0.00 0.00 0.00 179.25 178.31 3del h TYR 155 N 0.71 -0.21 -0.76 0.00 3.20 -0.84 -1.95 116.97 117.13 3del h TYR 155 Ca 0.24 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3del h TYR 155 Cb 0.02 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3del h TYR 155 CO -0.06 -0.14 0.47 -0.07 -1.64 0.00 0.00 178.16 176.72 3del h LEU 156 N -0.08 0.90 -1.25 2.82 3.38 -0.63 -2.30 115.31 118.15 3del h LEU 156 Ca 0.09 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3del h LEU 156 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3del h LEU 156 CO -0.21 0.68 -0.00 1.56 0.09 0.00 0.00 178.44 180.56 3del h GLN 157 N 1.04 0.51 0.00 1.13 4.20 -0.55 -2.45 115.11 118.98 3del h GLN 157 Ca 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3del h GLN 157 Cb -0.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3del h GLN 157 CO -0.05 0.53 0.00 0.66 -0.67 0.00 0.00 178.83 179.30 3del h SER 158 N 0.49 0.00 -3.36 1.46 4.64 -0.77 -3.44 113.55 112.57 3del h SER 158 Ca 0.11 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.85 3del h SER 158 Cb 0.32 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.34 3del h SER 158 CO 0.01 0.00 0.20 -0.76 -0.87 0.00 0.00 176.83 175.41 3del s LEU 159 N -5.25 4.22 0.30 5.97 1.43 -0.92 -5.03 118.68 119.39 3del s LEU 159 Ca 0.03 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 3del s LEU 159 Cb 0.09 -3.09 -0.11 0.00 0.03 0.00 0.00 46.19 43.12 3del s LEU 159 CO 0.48 -0.25 1.48 -0.55 0.23 0.00 0.00 176.35 177.73 3del s SER 160 N 1.02 6.53 -1.61 2.29 0.15 -1.26 -3.32 113.70 117.50 3del s SER 160 Ca 0.36 2.82 -0.01 0.00 0.70 0.00 0.00 55.95 59.82 3del s SER 160 Cb -0.17 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 3del s SER 160 CO 0.14 -0.77 0.08 -0.62 1.20 0.00 0.00 173.24 173.27 3del n GLU 161 N 1.75 -1.97 -3.89 5.44 1.02 -1.26 -4.85 120.64 116.88 3del n GLU 161 Ca 0.05 0.92 -0.36 0.00 -0.02 0.00 0.00 57.16 57.75 3del n GLU 161 Cb 0.39 -5.51 -0.11 0.00 -0.02 0.00 0.00 31.44 26.20 3del n GLU 161 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3del s VAL 162 N -2.98 4.67 -0.37 2.62 1.01 -1.21 -4.47 120.40 119.66 3del s VAL 162 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 3del s VAL 162 Cb -0.02 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3del s VAL 162 CO 0.05 0.40 0.38 -2.28 0.00 0.00 0.00 175.10 173.64 3del s HIS 163 N 0.95 3.20 -0.14 5.22 2.46 -1.26 -4.95 115.29 120.77 3del s HIS 163 Ca 0.04 -0.18 -0.06 0.00 0.47 0.00 0.00 55.06 55.33 3del s HIS 163 Cb -0.14 -2.73 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 3del s HIS 163 CO 0.03 -0.53 0.08 0.42 -2.47 0.00 0.00 174.74 172.27 3del s ILE 164 N 2.03 5.00 -0.28 0.89 1.01 -1.26 -0.24 121.20 128.35 3del s ILE 164 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 3del s ILE 164 Cb -0.17 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.13 3del s ILE 164 CO 0.12 0.55 0.01 -0.13 0.00 0.00 0.00 174.94 175.50 3del s ARG 165 N -0.45 2.94 -0.11 2.79 1.81 -0.40 -4.85 118.95 120.69 3del s ARG 165 Ca 0.10 -0.93 -0.06 0.00 -1.72 0.00 0.00 55.73 53.12 3del s ARG 165 Cb -0.12 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 3del s ARG 165 CO 0.02 -0.43 0.11 -1.12 -0.68 0.00 0.00 175.30 173.20 3del s SER 166 N 1.41 6.16 0.08 0.23 0.01 -1.26 -1.20 113.70 119.13 3del s SER 166 Ca 0.01 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.70 3del s SER 166 Cb -0.17 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 3del s SER 166 CO -0.01 0.40 -0.09 -0.36 0.41 0.00 0.00 173.24 173.59 3del s PHE 167 N -1.01 0.92 0.38 2.43 0.08 -0.17 -4.87 117.98 115.74 3del s PHE 167 Ca 0.15 -0.67 0.11 0.00 0.12 0.00 0.00 56.93 56.64 3del s PHE 167 Cb -0.12 -0.52 0.75 0.00 -0.57 0.00 0.00 43.02 42.56 3del s PHE 167 CO 0.04 -0.06 1.87 -0.44 -0.10 0.00 0.00 175.22 176.53 3del h ASP 168 N 3.71 0.14 -4.43 1.36 3.32 -1.92 0.20 116.42 118.79 3del h ASP 168 Ca -0.37 -0.04 -0.29 0.00 0.02 0.00 0.00 57.03 56.36 3del h ASP 168 Cb 1.19 -0.04 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 3del h ASP 168 CO 0.52 0.39 -0.72 -0.94 -1.72 0.00 0.00 179.24 176.76 3del s SER 169 N -6.91 1.35 0.25 6.45 1.04 -1.26 -4.72 113.70 109.89 3del s SER 169 Ca -0.04 -0.86 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 3del s SER 169 Cb 0.15 0.03 0.31 0.00 0.10 0.00 0.00 66.02 66.60 3del s SER 169 CO 0.73 -0.31 1.90 0.74 0.98 0.00 0.00 173.24 177.27 3del h THR 170 N 3.42 1.16 -0.44 2.02 2.02 -1.98 -1.86 112.91 117.26 3del h THR 170 Ca -0.37 -0.41 0.09 0.00 0.77 0.00 0.00 66.41 66.49 3del h THR 170 Cb 1.18 -0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 3del h THR 170 CO 0.56 0.22 -0.17 0.25 0.37 0.00 0.00 175.52 176.74 3del h LEU 171 N 1.21 -0.61 -0.52 2.58 5.85 -1.99 -0.79 115.31 121.04 3del h LEU 171 Ca 0.38 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 59.20 3del h LEU 171 Cb -0.00 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3del h LEU 171 CO -0.12 -0.21 0.12 -0.33 -0.34 0.00 0.00 178.44 177.56 3del h GLU 172 N -0.08 0.85 -0.40 1.25 5.08 -1.89 -1.08 114.58 118.31 3del h GLU 172 Ca 0.21 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3del h GLU 172 Cb 0.41 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3del h GLU 172 CO -0.50 0.81 -0.01 0.28 -1.00 0.00 0.00 179.01 178.59 3del h VAL 173 N 0.74 0.69 -0.09 3.13 2.07 -0.90 -1.69 116.25 120.19 3del h VAL 173 Ca 0.16 -0.03 -0.20 0.00 0.82 0.00 0.00 66.70 67.45 3del h VAL 173 Cb 0.36 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3del h VAL 173 CO 0.00 0.02 -0.78 -0.07 0.02 0.00 0.00 177.57 176.76 3del h LEU 174 N 0.09 0.65 -1.15 2.57 3.38 -0.98 -3.11 115.31 116.75 3del h LEU 174 Ca 0.19 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3del h LEU 174 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3del h LEU 174 CO -0.34 1.21 -0.31 0.24 0.09 0.00 0.00 178.44 179.33 3del h MET 175 N 0.36 0.19 -0.65 1.13 2.86 -1.14 -0.13 114.93 117.55 3del h MET 175 Ca -0.05 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 3del h MET 175 Cb 1.38 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.96 3del h MET 175 CO 0.14 0.49 0.27 1.49 1.06 0.00 0.00 176.91 180.36 3del h GLU 176 N 0.17 0.46 -0.12 1.72 4.57 -1.24 -0.69 114.58 119.43 3del h GLU 176 Ca 0.02 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 3del h GLU 176 Cb 0.64 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3del h GLU 176 CO 0.05 0.30 -0.47 0.28 -1.18 0.00 0.00 179.01 177.99 3del h VAL 177 N 0.47 1.36 -0.85 0.32 2.07 -1.40 -0.89 116.25 117.33 3del h VAL 177 Ca 0.33 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 66.13 3del h VAL 177 Cb 0.40 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3del h VAL 177 CO -0.31 0.54 0.56 0.24 0.02 0.00 0.00 177.57 178.62 3del h MET 178 N 0.15 0.96 -0.07 1.57 2.86 -0.71 -1.42 114.93 118.27 3del h MET 178 Ca -0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3del h MET 178 Cb 1.10 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3del h MET 178 CO 0.10 0.64 0.00 0.72 1.06 0.00 0.00 176.91 179.43 3del n HIS 179 N -4.47 0.09 -1.59 -0.22 -0.00 -0.30 -4.93 115.22 103.80 3del n HIS 179 Ca 0.12 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.72 57.68 3del n HIS 179 Cb 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.12 3del n HIS 179 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3del n GLY 180 N 1.05 0.87 0.07 -1.41 0.00 -0.54 -4.93 105.19 100.31 3del n GLY 180 Ca 0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 3del n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3del h LYS 181 N 0.00 0.03 -5.81 1.61 1.57 -1.40 -3.44 116.57 109.13 3del h LYS 181 Ca -0.25 -0.05 -0.54 0.00 -1.87 0.00 0.00 60.65 57.94 3del h LYS 181 Cb 0.89 0.02 -0.27 0.00 0.08 0.00 0.00 32.23 32.95 3del h LYS 181 CO 0.34 0.94 -0.83 -1.12 -0.57 0.00 0.00 179.45 178.21 3del s SER 182 N -6.65 2.19 0.35 0.86 0.01 -1.07 -4.94 113.70 104.44 3del s SER 182 Ca -0.01 -0.44 0.18 0.00 1.31 0.00 0.00 55.95 56.99 3del s SER 182 Cb 0.09 -0.20 0.59 0.00 0.21 0.00 0.00 66.02 66.72 3del s SER 182 CO 0.83 0.16 1.69 1.55 0.41 0.00 0.00 173.24 177.88 3del h PRO 183 N 5.16 0.00 -3.93 12.44 0.13 -1.86 -3.37 132.00 140.56 3del h PRO 183 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 3del h PRO 183 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 3del h PRO 183 CO 0.45 0.42 -0.59 0.14 -0.23 0.00 0.00 178.00 178.19 3del s VAL 184 N -3.54 0.15 0.20 1.56 -7.23 -1.26 -4.44 120.40 105.84 3del s VAL 184 Ca 0.00 -1.22 0.08 0.00 -1.81 0.00 0.00 61.98 59.03 3del s VAL 184 Cb 0.11 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 3del s VAL 184 CO 0.70 -0.67 -0.15 0.00 -0.31 0.00 0.00 175.10 174.66 3del s ALA 185 N -2.72 2.04 -0.13 1.32 0.00 0.09 -1.38 121.76 120.98 3del s ALA 185 Ca -0.04 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.31 3del s ALA 185 Cb -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3del s ALA 185 CO -0.05 0.11 -0.21 0.08 0.00 0.00 0.00 175.76 175.68 3del s VAL 186 N -2.78 1.99 0.20 0.00 1.01 -0.50 -0.19 120.40 120.12 3del s VAL 186 Ca 0.21 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.37 3del s VAL 186 Cb -0.02 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3del s VAL 186 CO 0.07 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.71 3del s LEU 187 N 0.80 2.45 0.25 3.92 1.43 -0.18 -4.60 118.68 122.74 3del s LEU 187 Ca -0.08 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 3del s LEU 187 Cb -0.16 -1.15 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 3del s LEU 187 CO -0.01 0.11 1.07 -0.70 0.23 0.00 0.00 176.35 177.05 3del s GLU 188 N -2.78 4.67 0.27 1.70 -6.30 -1.26 -0.80 118.70 114.19 3del s GLU 188 Ca 0.22 1.73 0.01 0.00 -2.50 0.00 0.00 54.97 54.43 3del s GLU 188 Cb -0.07 -3.23 0.58 0.00 0.00 0.00 0.00 34.13 31.41 3del s GLU 188 CO 0.10 0.23 1.77 -1.35 0.02 0.00 0.00 175.26 176.03 3del h PRO 189 N 4.20 0.66 -0.11 4.30 0.11 -1.92 -1.74 132.00 137.49 3del h PRO 189 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3del h PRO 189 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3del h PRO 189 CO 0.68 0.43 -0.29 0.66 -0.21 0.00 0.00 178.00 179.28 3del h SER 190 N 0.67 0.21 -0.04 -2.05 4.64 -1.95 -1.93 113.55 113.11 3del h SER 190 Ca 0.49 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 3del h SER 190 Cb 0.71 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3del h SER 190 CO -0.36 0.50 -0.18 0.40 -0.87 0.00 0.00 176.83 176.31 3del h ILE 191 N 0.19 1.48 -0.78 0.95 1.08 -1.78 -3.26 117.51 115.37 3del h ILE 191 Ca 0.03 -1.67 0.15 0.00 -0.39 0.00 0.00 64.86 62.98 3del h ILE 191 Cb 0.61 2.46 -0.10 0.00 -3.07 0.00 0.00 36.82 36.72 3del h ILE 191 CO 0.04 0.46 0.32 0.00 -0.69 0.00 0.00 178.15 178.29 3del h ALA 192 N 0.38 1.12 -1.00 1.87 0.00 -1.17 -0.60 119.26 119.87 3del h ALA 192 Ca -0.01 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.14 3del h ALA 192 Cb 0.85 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3del h ALA 192 CO 0.04 -0.22 0.63 1.96 0.00 0.00 0.00 179.25 181.66 3del h GLN 193 N 0.45 0.93 0.00 0.00 1.08 -1.41 -2.46 115.11 113.70 3del h GLN 193 Ca 0.44 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.55 3del h GLN 193 Cb 0.68 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3del h GLN 193 CO -0.42 0.62 -0.16 0.28 -0.95 0.00 0.00 178.83 178.20 3del h VAL 194 N 0.96 1.40 0.00 -0.54 2.07 -1.35 -3.42 116.25 115.37 3del h VAL 194 Ca 0.50 -2.11 -0.18 0.00 0.82 0.00 0.00 66.70 65.73 3del h VAL 194 Cb 0.54 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 3del h VAL 194 CO -0.27 0.47 -0.88 -0.37 0.02 0.00 0.00 177.57 176.55 3del h VAL 195 N -1.00 1.45 0.00 2.57 -1.51 -1.07 -3.32 116.25 113.36 3del h VAL 195 Ca -0.04 -3.06 0.00 0.00 -1.23 0.00 0.00 66.70 62.37 3del h VAL 195 Cb 0.88 2.71 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 3del h VAL 195 CO -0.02 0.82 0.00 0.18 -1.23 0.00 0.00 177.57 177.32 3del n LEU 196 N -3.30 0.65 0.25 4.19 4.77 -0.93 -2.12 117.00 120.51 3del n LEU 196 Ca 0.00 0.63 0.17 0.00 -0.03 0.00 0.00 56.01 56.78 3del n LEU 196 Cb 0.88 -0.50 0.89 0.00 -2.33 0.00 0.00 43.42 42.37 3del n LEU 196 CO 0.45 -0.43 1.14 0.07 -1.33 0.00 0.00 177.39 177.30 3del h LYS 197 N 0.00 0.00 -0.01 3.23 2.10 -1.82 -1.10 116.57 118.97 3del h LYS 197 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3del h LYS 197 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3del h LYS 197 CO 0.00 0.00 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.09 3del n ASP 198 N -3.71 1.37 -3.32 7.07 8.00 -0.90 -4.54 116.55 120.52 3del n ASP 198 Ca -0.00 -1.27 -0.26 0.00 0.71 0.00 0.00 54.79 53.97 3del n ASP 198 Cb 0.23 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 3del n ASP 198 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3del n PHE 199 N -0.12 2.58 0.26 1.24 3.72 -0.42 -4.95 117.46 119.78 3del n PHE 199 Ca 0.16 -3.99 0.18 0.00 -0.05 0.00 0.00 57.45 53.75 3del n PHE 199 Cb 0.36 -0.50 0.91 0.00 -0.94 0.00 0.00 39.48 39.31 3del n PHE 199 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3del h PRO 200 N 4.01 0.00 0.00 -1.08 0.13 -1.80 -1.31 132.00 131.95 3del h PRO 200 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3del h PRO 200 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3del h PRO 200 CO 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 3del h ALA 201 N 1.79 1.00 -2.80 -0.56 0.00 -1.93 -3.45 119.26 113.30 3del h ALA 201 Ca 0.05 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.37 3del h ALA 201 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3del h ALA 201 CO -0.00 0.00 -0.18 -0.51 0.00 0.00 0.00 179.25 178.56 3del s LEU 202 N -5.91 4.39 0.36 0.00 1.43 -0.49 -4.07 118.68 114.38 3del s LEU 202 Ca 0.02 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.08 3del s LEU 202 Cb 0.09 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3del s LEU 202 CO 0.53 0.19 0.26 -0.44 0.23 0.00 0.00 176.35 177.12 3del s SER 203 N -0.34 5.04 0.10 2.29 0.01 0.17 -4.94 113.70 116.03 3del s SER 203 Ca 0.24 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.90 3del s SER 203 Cb -0.16 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 3del s SER 203 CO 0.12 -0.40 -0.11 0.42 0.41 0.00 0.00 173.24 173.67 3del s THR 204 N -2.38 1.02 0.02 1.44 -4.23 -1.26 -1.61 115.64 108.64 3del s THR 204 Ca 0.41 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3del s THR 204 Cb -0.04 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 3del s THR 204 CO 0.26 -0.51 -0.03 0.00 -0.54 0.00 0.00 174.62 173.79 3del s ALA 205 N -2.32 0.20 -0.03 3.99 0.00 -0.11 -4.99 121.76 118.50 3del s ALA 205 Ca 0.06 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 3del s ALA 205 Cb -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3del s ALA 205 CO 0.01 -0.07 0.81 0.99 0.00 0.00 0.00 175.76 177.49 3del s THR 206 N -0.99 4.95 -0.37 0.00 2.01 -1.26 -0.59 115.64 119.39 3del s THR 206 Ca -0.10 1.69 -0.12 0.00 0.31 0.00 0.00 61.69 63.47 3del s THR 206 Cb -0.07 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.30 3del s THR 206 CO -0.00 0.23 0.23 -0.63 -0.69 0.00 0.00 174.62 173.76 3del s ILE 207 N 0.80 4.88 -0.05 1.82 1.01 -0.11 -4.91 121.20 124.64 3del s ILE 207 Ca 0.43 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 3del s ILE 207 Cb -0.19 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 3del s ILE 207 CO 0.22 -0.19 0.92 -1.81 0.00 0.00 0.00 174.94 174.08 3del s ASP 208 N 1.62 7.24 0.25 3.58 1.01 -1.26 -0.56 116.67 128.55 3del s ASP 208 Ca 0.04 1.51 -0.30 0.00 0.71 0.00 0.00 52.55 54.51 3del s ASP 208 Cb -0.19 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 3del s ASP 208 CO 0.08 -0.28 0.96 -0.76 0.21 0.00 0.00 175.17 175.39 3del s LEU 209 N 1.24 4.62 0.50 1.23 1.43 -0.81 -4.96 118.68 121.93 3del s LEU 209 Ca 0.47 1.99 -0.23 0.00 -1.03 0.00 0.00 54.13 55.34 3del s LEU 209 Cb -0.20 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 3del s LEU 209 CO 0.23 0.10 1.30 -2.16 0.23 0.00 0.00 176.35 176.05 3del s PRO 210 N -1.26 3.46 0.37 1.29 0.04 -1.26 -4.90 135.00 132.75 3del s PRO 210 Ca 0.42 2.10 0.12 0.00 0.04 0.00 0.00 61.00 63.68 3del s PRO 210 Cb -0.27 -2.39 0.91 0.00 0.04 0.00 0.00 34.50 32.80 3del s PRO 210 CO 0.33 -0.89 1.85 1.49 0.04 0.00 0.00 177.00 179.83 3del h GLU 211 N 1.84 0.57 0.00 4.56 4.81 -1.96 0.14 114.58 124.54 3del h GLU 211 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3del h GLU 211 Cb 1.28 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3del h GLU 211 CO 0.59 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.85 3del n ASP 212 N -4.57 0.00 -0.75 1.04 5.68 -1.26 -1.96 116.55 114.73 3del n ASP 212 Ca 0.19 0.49 0.09 0.00 -0.50 0.00 0.00 54.79 55.06 3del n ASP 212 Cb 0.57 -0.50 0.08 0.00 -1.14 0.00 0.00 41.12 40.14 3del n ASP 212 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3del n GLN 213 N -1.50 1.60 -2.21 0.11 1.13 0.48 -4.89 117.38 112.11 3del n GLN 213 Ca 0.02 -1.63 -0.39 0.00 -1.94 0.00 0.00 57.00 53.07 3del n GLN 213 Cb 0.10 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 3del n GLN 213 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3del s TRP 214 N -1.52 2.97 -0.10 1.08 0.51 -0.83 -4.97 118.94 116.09 3del s TRP 214 Ca 0.22 1.51 0.02 0.00 -2.12 0.00 0.00 56.10 55.72 3del s TRP 214 Cb 0.16 -3.49 0.02 0.00 -0.81 0.00 0.00 33.47 29.34 3del s TRP 214 CO 0.23 -1.59 -0.14 0.14 -0.51 0.00 0.00 176.95 175.08 3del s VAL 215 N -1.36 1.41 -0.74 4.03 -7.23 -1.01 -4.43 120.40 111.07 3del s VAL 215 Ca 0.57 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 3del s VAL 215 Cb -0.33 -1.30 0.36 0.00 0.56 0.00 0.00 36.38 35.67 3del s VAL 215 CO 0.42 0.42 1.61 0.18 -0.31 0.00 0.00 175.10 177.43 3del n LEU 216 N 4.21 6.37 0.00 1.32 4.77 0.92 -0.21 117.00 134.39 3del n LEU 216 Ca -0.19 -5.14 0.00 0.00 -0.03 0.00 0.00 56.01 50.65 3del n LEU 216 Cb 0.51 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3del n LEU 216 CO 0.23 2.01 0.00 0.61 -1.33 0.00 0.00 177.39 178.92 3del n GLY 217 N -0.40 -1.05 3.55 -0.72 0.00 -1.19 -4.62 105.19 100.76 3del n GLY 217 Ca 0.46 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3del n GLY 217 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3del s TYR 218 N 0.00 2.81 0.05 1.61 2.02 0.10 -1.24 117.35 122.70 3del s TYR 218 Ca 0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 3del s TYR 218 Cb 0.00 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 3del s TYR 218 CO 0.00 0.32 -0.04 0.20 -1.57 0.00 0.00 175.55 174.46 3del s GLY 219 N -1.26 0.50 -0.20 0.71 0.00 -0.67 -1.75 107.32 104.65 3del s GLY 219 Ca 0.15 -1.06 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 3del s GLY 219 CO 0.05 -1.15 0.72 -0.42 0.00 0.00 0.00 173.10 172.30 3del s ILE 220 N -3.02 4.95 0.10 0.90 1.01 0.42 -4.43 121.20 121.13 3del s ILE 220 Ca 0.01 1.36 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 3del s ILE 220 Cb 0.01 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 3del s ILE 220 CO -0.06 0.05 0.92 -0.83 0.00 0.00 0.00 174.94 175.02 3del s GLY 221 N 1.24 2.96 -0.01 6.18 0.00 0.09 -0.78 107.32 117.00 3del s GLY 221 Ca 0.32 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.56 3del s GLY 221 CO 0.10 1.36 -0.04 0.14 0.00 0.00 0.00 173.10 174.66 3del s VAL 222 N -0.06 0.39 0.29 1.40 1.01 0.39 -1.34 120.40 122.47 3del s VAL 222 Ca 0.45 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3del s VAL 222 Cb -0.23 -0.36 -0.13 0.00 0.00 0.00 0.00 36.38 35.66 3del s VAL 222 CO 0.28 0.13 1.24 0.00 0.00 0.00 0.00 175.10 176.75 3del n ALA 223 N 3.23 0.69 0.23 5.51 0.00 -1.26 -0.62 120.51 128.28 3del n ALA 223 Ca -0.16 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.76 3del n ALA 223 Cb 0.56 -2.18 0.65 0.00 0.00 0.00 0.00 19.45 18.49 3del n ALA 223 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3del h SER 224 N 2.91 0.00 -0.30 0.00 0.02 -1.91 -1.49 113.55 112.78 3del h SER 224 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3del h SER 224 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3del h SER 224 CO 0.66 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.45 3del n ASP 225 N -4.50 2.95 -2.81 3.07 5.68 -1.26 -4.18 116.55 115.50 3del n ASP 225 Ca -0.02 -2.34 -0.19 0.00 -0.50 0.00 0.00 54.79 51.74 3del n ASP 225 Cb 0.15 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.62 3del n ASP 225 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3del n ARG 226 N 0.37 2.08 0.17 0.11 1.74 -0.56 -4.95 116.66 115.61 3del n ARG 226 Ca 0.13 -3.92 0.02 0.00 -0.77 0.00 0.00 57.85 53.31 3del n ARG 226 Cb 0.61 -1.81 0.33 0.00 -1.02 0.00 0.00 32.46 30.56 3del n ARG 226 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3del h PRO 227 N 2.90 0.03 -0.81 5.56 0.13 -1.75 -2.42 132.00 135.64 3del h PRO 227 Ca 0.09 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3del h PRO 227 Cb 0.92 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 3del h PRO 227 CO 0.65 0.42 0.53 0.00 -0.23 0.00 0.00 178.00 179.37 3del h ALA 228 N 1.58 1.47 -0.33 -0.56 0.00 -1.95 -1.34 119.26 118.13 3del h ALA 228 Ca -0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3del h ALA 228 Cb 0.71 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3del h ALA 228 CO 0.05 0.46 -0.36 1.25 0.00 0.00 0.00 179.25 180.65 3del h LEU 229 N 1.04 0.89 -0.99 0.00 5.85 -1.86 -2.44 115.31 117.81 3del h LEU 229 Ca 0.31 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.60 3del h LEU 229 Cb -0.04 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 3del h LEU 229 CO -0.08 1.19 0.64 0.00 -0.34 0.00 0.00 178.44 179.85 3del h ALA 230 N 0.73 1.33 -0.38 1.25 0.00 -1.13 -0.26 119.26 120.80 3del h ALA 230 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3del h ALA 230 Cb 0.95 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3del h ALA 230 CO 0.09 0.50 -0.23 -0.07 0.00 0.00 0.00 179.25 179.53 3del h LEU 231 N 1.22 0.76 -0.51 0.00 3.38 -1.17 -0.42 115.31 118.57 3del h LEU 231 Ca 0.40 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3del h LEU 231 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3del h LEU 231 CO -0.14 0.97 0.14 0.11 0.09 0.00 0.00 178.44 179.61 3del h LYS 232 N 0.65 0.80 -0.60 1.13 1.57 -0.89 -1.34 116.57 117.90 3del h LYS 232 Ca 0.09 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3del h LYS 232 Cb 0.74 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3del h LYS 232 CO 0.06 0.76 0.07 0.82 -0.57 0.00 0.00 179.45 180.59 3del h ILE 233 N 0.70 1.26 -0.18 1.86 2.04 -0.95 -1.77 117.51 120.48 3del h ILE 233 Ca 0.16 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3del h ILE 233 Cb 0.31 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3del h ILE 233 CO -0.00 0.38 0.10 -0.08 0.00 0.00 0.00 178.15 178.55 3del h GLU 234 N 0.91 0.20 -0.70 2.37 4.81 -1.01 -0.87 114.58 120.29 3del h GLU 234 Ca 0.18 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3del h GLU 234 Cb 0.46 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 3del h GLU 234 CO 0.02 0.13 0.36 0.00 -0.73 0.00 0.00 179.01 178.78 3del h ALA 235 N 1.08 0.96 -0.23 2.92 0.00 -1.10 -1.39 119.26 121.50 3del h ALA 235 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3del h ALA 235 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3del h ALA 235 CO -0.04 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.30 3del h ALA 236 N 1.41 0.29 -0.67 0.00 0.00 -0.97 -1.80 119.26 117.51 3del h ALA 236 Ca 0.34 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3del h ALA 236 Cb 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3del h ALA 236 CO -0.25 -0.17 0.44 0.28 0.00 0.00 0.00 179.25 179.55 3del h VAL 237 N 0.25 1.14 -0.81 0.00 2.07 -0.92 -0.80 116.25 117.19 3del h VAL 237 Ca 0.08 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3del h VAL 237 Cb 0.08 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3del h VAL 237 CO -0.01 0.16 0.49 1.56 0.02 0.00 0.00 177.57 179.79 3del h GLN 238 N 0.88 1.09 -0.34 1.57 4.20 -1.06 -0.62 115.11 120.83 3del h GLN 238 Ca 0.25 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3del h GLN 238 Cb -0.06 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 3del h GLN 238 CO -0.07 0.76 -0.11 1.49 -0.67 0.00 0.00 178.83 180.23 3del h GLU 239 N 1.11 0.67 0.00 1.46 4.81 -1.04 -1.65 114.58 119.94 3del h GLU 239 Ca 0.29 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3del h GLU 239 Cb -0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3del h GLU 239 CO -0.06 0.86 -0.34 -0.84 -0.73 0.00 0.00 179.01 177.90 3del h ILE 240 N 0.45 1.02 -0.08 2.32 3.07 -0.94 -1.71 117.51 121.65 3del h ILE 240 Ca 0.08 -1.28 -0.02 0.00 1.55 0.00 0.00 64.86 65.20 3del h ILE 240 Cb 0.63 1.74 -0.00 0.00 -0.27 0.00 0.00 36.82 38.91 3del h ILE 240 CO 0.04 0.34 -0.01 -0.09 -1.05 0.00 0.00 178.15 177.37 3del h ARG 241 N 0.00 0.15 -0.08 0.16 2.43 -0.97 -1.83 114.38 114.25 3del h ARG 241 Ca -0.00 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3del h ARG 241 Cb 0.71 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3del h ARG 241 CO 0.04 0.46 -0.46 1.57 -1.51 0.00 0.00 179.97 180.07 3del h LYS 242 N -0.18 0.18 0.00 0.20 2.10 -1.13 -2.07 116.57 115.68 3del h LYS 242 Ca 0.02 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3del h LYS 242 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 3del h LYS 242 CO 0.01 0.61 0.00 0.39 -2.00 0.00 0.00 179.45 178.45 3del n GLU 243 N -3.99 0.12 -0.59 0.07 1.02 -0.66 -4.90 120.64 111.72 3del n GLU 243 Ca -0.02 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3del n GLU 243 Cb 0.50 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3del n GLU 243 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3del n GLY 244 N 0.31 0.78 0.28 0.62 0.00 -0.78 -4.95 105.19 101.46 3del n GLY 244 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3del n GLY 244 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3del h VAL 245 N 0.00 1.27 -0.37 1.61 2.07 -1.56 -2.37 116.25 116.89 3del h VAL 245 Ca 0.00 -1.38 0.03 0.00 0.82 0.00 0.00 66.70 66.18 3del h VAL 245 Cb 0.00 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3del h VAL 245 CO 0.00 0.48 0.16 0.25 0.02 0.00 0.00 177.57 178.48 3del h LEU 246 N 0.86 0.22 -1.03 2.57 5.85 -1.73 0.01 115.31 122.06 3del h LEU 246 Ca 0.11 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3del h LEU 246 Cb 0.79 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3del h LEU 246 CO 0.07 0.17 0.07 0.00 -0.34 0.00 0.00 178.44 178.40 3del h ALA 247 N 1.21 1.21 -0.35 1.25 0.00 -1.85 -1.44 119.26 119.29 3del h ALA 247 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3del h ALA 247 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3del h ALA 247 CO -0.13 0.53 0.18 1.49 0.00 0.00 0.00 179.25 181.32 3del h GLU 248 N 0.73 0.50 -0.65 0.00 4.81 -0.87 -1.98 114.58 117.13 3del h GLU 248 Ca 0.15 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3del h GLU 248 Cb 0.35 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3del h GLU 248 CO 0.01 0.44 0.18 -0.07 -0.73 0.00 0.00 179.01 178.84 3del h LEU 249 N 0.44 0.96 -0.50 1.64 3.38 -0.82 -1.52 115.31 118.90 3del h LEU 249 Ca 0.12 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3del h LEU 249 Cb 0.10 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3del h LEU 249 CO -0.02 0.93 0.21 -0.33 0.09 0.00 0.00 178.44 179.33 3del h GLU 250 N 0.95 0.40 -0.04 1.13 5.08 -1.07 -1.07 114.58 119.95 3del h GLU 250 Ca 0.21 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3del h GLU 250 Cb 0.33 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3del h GLU 250 CO -0.00 0.26 -0.00 0.37 -1.00 0.00 0.00 179.01 178.64 3del h GLN 251 N 0.41 0.08 -0.70 2.33 5.75 -1.25 -0.61 115.11 121.12 3del h GLN 251 Ca 0.23 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.74 3del h GLN 251 Cb 0.21 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 3del h GLN 251 CO -0.21 0.38 0.44 -0.22 -2.65 0.00 0.00 178.83 176.57 3del h LYS 252 N -0.23 0.83 -0.13 1.69 3.64 -1.13 -2.39 116.57 118.86 3del h LYS 252 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3del h LYS 252 Cb 0.34 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3del h LYS 252 CO 0.00 0.55 0.00 0.91 -2.27 0.00 0.00 179.45 178.64 3del n TRP 253 N -4.67 0.15 -2.40 1.91 7.02 -0.42 -4.96 117.44 114.08 3del n TRP 253 Ca 0.07 -0.08 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 3del n TRP 253 Cb 0.09 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 3del n TRP 253 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3del n GLY 254 N 1.12 -0.16 0.27 6.99 0.00 -0.89 -4.81 105.19 107.71 3del n GLY 254 Ca 0.17 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.95 3del n GLY 254 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3del h LEU 255 N -0.27 0.29 -1.61 0.99 4.07 -1.39 -1.11 115.31 116.28 3del h LEU 255 Ca -0.33 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.61 3del h LEU 255 Cb 1.24 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.90 3del h LEU 255 CO 0.38 0.29 0.28 -0.55 -1.08 0.00 0.00 178.44 177.76 3del h ASN 256 N 0.32 0.00 0.00 -0.43 7.08 -1.92 -2.19 115.58 118.44 3del h ASN 256 Ca 0.08 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.30 3del h ASN 256 Cb 0.11 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.34 3del h ASN 256 CO -0.01 0.00 -0.11 0.59 -2.08 0.00 0.00 177.43 175.82 3del n ASN 257 N -2.56 1.95 -4.62 6.14 5.03 -0.42 -5.07 115.26 115.70 3del n ASN 257 Ca -0.02 -2.96 -0.57 0.00 0.87 0.00 0.00 54.58 51.91 3del n ASN 257 Cb 0.32 -0.40 -0.07 0.00 -1.02 0.00 0.00 39.78 38.61 3del n ASN 257 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3del n LEU 258 N -1.19 1.39 0.01 3.41 7.94 -0.83 -4.92 117.00 122.82 3del n LEU 258 Ca 0.14 1.13 -0.20 0.00 -1.11 0.00 0.00 56.01 55.97 3del n LEU 258 Cb 0.66 -1.08 -0.14 0.00 0.53 0.00 0.00 43.42 43.39 3del n LEU 258 CO 0.01 -1.07 -0.72 -0.33 -1.11 0.00 0.00 177.39 174.17 3del h GLU 259 N 4.89 0.25 -4.39 1.96 5.08 -1.92 -3.44 114.58 117.02 3del h GLU 259 Ca -0.48 -0.42 -0.69 0.00 -1.00 0.00 0.00 59.36 56.77 3del h GLU 259 Cb 1.36 0.16 -0.36 0.00 0.50 0.00 0.00 28.75 30.41 3del h GLU 259 CO 0.82 1.13 -0.56 -1.01 -1.00 0.00 0.00 179.01 178.39 3del s HIS 260 N -2.57 3.59 0.02 4.33 3.76 -1.26 -4.55 115.29 118.61 3del s HIS 260 Ca -0.19 -2.56 -0.25 0.00 -0.15 0.00 0.00 55.06 51.90 3del s HIS 260 Cb 0.07 -3.17 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 3del s HIS 260 CO 0.79 -0.95 0.79 -1.01 -0.85 0.00 0.00 174.74 173.51 3del s HIS 261 N 0.94 3.70 -1.43 1.40 3.76 -0.12 -4.29 115.29 119.25 3del s HIS 261 Ca 0.10 1.47 -0.02 0.00 -0.15 0.00 0.00 55.06 56.46 3del s HIS 261 Cb -0.22 -2.86 0.02 0.00 1.11 0.00 0.00 32.58 30.62 3del s HIS 261 CO -0.05 0.20 0.49 0.72 -0.85 0.00 0.00 174.74 175.26 3del n HIS 262 N 3.11 -1.70 0.31 1.40 8.25 -1.26 -4.16 115.22 121.17 3del n HIS 262 Ca -0.01 0.76 0.18 0.00 -0.26 0.00 0.00 57.72 58.40 3del n HIS 262 Cb 0.50 -3.74 1.02 0.00 1.12 0.00 0.00 29.99 28.89 3del n HIS 262 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3del h HIS 263 N -1.82 0.00 -2.29 4.41 6.17 -1.85 -3.25 115.15 116.52 3del h HIS 263 Ca -0.62 0.00 -0.63 0.00 0.71 0.00 0.00 60.37 59.83 3del h HIS 263 Cb 1.37 0.00 -0.40 0.00 2.52 0.00 0.00 27.41 30.90 3del h HIS 263 CO 0.50 0.01 -0.40 0.72 0.71 0.00 0.00 177.93 179.47 3del n HIS 264 N -3.47 3.50 0.58 5.26 8.25 -1.26 -5.10 115.22 122.97 3del n HIS 264 Ca -0.03 -3.93 0.07 0.00 -0.26 0.00 0.00 57.72 53.57 3del n HIS 264 Cb 0.10 -0.65 0.06 0.00 1.12 0.00 0.00 29.99 30.62 3del n HIS 264 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59