#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 3.18 -0.42 5.31 -0.14 -1.26 -0.76 119.74 125.65 3del s LYS 35 Ca 0.00 -0.38 -0.07 0.00 -1.36 0.00 0.00 55.97 54.17 3del s LYS 35 Cb 0.00 -2.95 0.10 0.00 -1.68 0.00 0.00 37.83 33.30 3del s LYS 35 CO 0.00 0.69 0.24 0.12 -0.76 0.00 0.00 175.35 175.64 3del s PHE 36 N -1.12 3.43 -0.29 3.18 5.99 0.52 -4.82 117.98 124.87 3del s PHE 36 Ca 0.20 -1.93 -0.19 0.00 0.00 0.00 0.00 56.93 55.01 3del s PHE 36 Cb -0.12 -3.11 -0.01 0.00 0.00 0.00 0.00 43.02 39.77 3del s PHE 36 CO 0.10 -0.92 0.59 0.42 -0.00 0.00 0.00 175.22 175.41 3del s ILE 37 N 1.30 4.98 -0.18 3.12 1.01 -1.26 -0.88 121.20 129.29 3del s ILE 37 Ca 0.05 0.85 -0.02 0.00 0.00 0.00 0.00 60.65 61.53 3del s ILE 37 Cb -0.23 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 3del s ILE 37 CO -0.01 -0.07 -0.11 -0.69 0.00 0.00 0.00 174.94 174.06 3del s VAL 38 N 2.50 2.99 -0.05 2.92 1.01 -0.49 -0.09 120.40 129.20 3del s VAL 38 Ca 0.24 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 3del s VAL 38 Cb -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3del s VAL 38 CO 0.11 0.48 0.49 -0.83 0.00 0.00 0.00 175.10 175.35 3del s GLY 39 N 1.05 2.48 0.05 4.51 0.00 0.10 -0.98 107.32 114.54 3del s GLY 39 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 3del s GLY 39 CO -0.02 0.58 0.14 -1.08 0.00 0.00 0.00 173.10 172.72 3del s THR 40 N -0.13 0.14 -0.39 0.90 -1.32 -0.45 -2.16 115.64 112.22 3del s THR 40 Ca 0.27 -1.12 -0.04 0.00 -1.21 0.00 0.00 61.69 59.59 3del s THR 40 Cb -0.17 -1.07 0.09 0.00 -1.51 0.00 0.00 72.50 69.85 3del s THR 40 CO 0.13 -0.62 0.17 0.21 -2.21 0.00 0.00 174.62 172.31 3del s ASN 41 N -2.37 5.25 -1.41 8.08 2.47 -1.26 -1.22 114.94 124.48 3del s ASN 41 Ca -0.01 -1.79 -0.12 0.00 0.42 0.00 0.00 52.86 51.36 3del s ASN 41 Cb 0.01 -1.83 -0.04 0.00 -1.45 0.00 0.00 41.25 37.93 3del s ASN 41 CO -0.07 -0.49 2.51 0.00 -3.72 0.00 0.00 177.10 175.33 3del n ALA 42 N 4.66 6.13 -1.29 1.71 0.00 -1.26 -4.23 120.51 126.22 3del n ALA 42 Ca -0.06 -3.47 0.01 0.00 0.00 0.00 0.00 53.44 49.92 3del n ALA 42 Cb 0.42 -3.42 0.01 0.00 0.00 0.00 0.00 19.45 16.46 3del n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3del n THR 43 N 4.43 0.24 -3.31 0.00 -1.04 -1.17 -4.21 114.28 109.22 3del n THR 43 Ca 0.62 -0.27 -0.26 0.00 -2.04 0.00 0.00 64.05 62.11 3del n THR 43 Cb 0.29 0.67 -0.09 0.00 -1.82 0.00 0.00 70.33 69.39 3del n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3del n TYR 44 N -0.16 -0.49 -2.04 -1.42 -0.00 0.16 -5.02 117.16 108.18 3del n TYR 44 Ca 0.01 -3.46 -0.38 0.00 -0.00 0.00 0.00 57.90 54.07 3del n TYR 44 Cb 0.56 -0.05 0.01 0.00 -0.00 0.00 0.00 39.34 39.86 3del n TYR 44 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3del s PRO 45 N -0.59 3.60 -0.03 2.98 0.02 -1.20 -0.54 135.00 139.24 3del s PRO 45 Ca 0.34 2.03 0.13 0.00 0.02 0.00 0.00 61.00 63.52 3del s PRO 45 Cb 0.10 -2.45 0.42 0.00 0.02 0.00 0.00 34.50 32.59 3del s PRO 45 CO -0.15 -0.75 1.32 -0.35 -0.33 0.00 0.00 177.00 176.73 3del n PRO 46 N -0.51 2.31 0.00 5.54 -0.04 -1.26 -4.87 135.00 136.17 3del n PRO 46 Ca 0.07 -1.68 -0.13 0.00 -0.04 0.00 0.00 63.50 61.73 3del n PRO 46 Cb 0.46 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 2.59 -0.06 -2.14 0.54 0.04 -1.17 -0.90 116.94 115.83 3del h PHE 47 Ca 0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3del h PHE 47 Cb 0.76 0.02 -0.22 0.00 2.20 0.00 0.00 35.95 38.71 3del h PHE 47 CO 0.37 0.45 0.02 -1.83 -0.60 0.00 0.00 178.31 176.73 3del s GLU 48 N -4.02 0.73 0.25 1.51 1.03 -0.63 -1.06 118.70 116.51 3del s GLU 48 Ca -0.16 0.99 -0.22 0.00 0.03 0.00 0.00 54.97 55.62 3del s GLU 48 Cb 0.01 0.29 0.03 0.00 -0.80 0.00 0.00 34.13 33.66 3del s GLU 48 CO 0.64 -0.11 0.79 -0.59 -1.33 0.00 0.00 175.26 174.66 3del s PHE 49 N 0.76 -0.15 -0.23 4.83 -0.12 -0.68 -0.66 117.98 121.73 3del s PHE 49 Ca -0.03 -0.29 -0.10 0.00 -0.05 0.00 0.00 56.93 56.46 3del s PHE 49 Cb -0.05 0.70 -0.05 0.00 -0.63 0.00 0.00 43.02 42.99 3del s PHE 49 CO -0.05 -1.16 0.15 0.08 -0.05 0.00 0.00 175.22 174.19 3del s VAL 50 N -3.63 5.37 1.00 -2.49 1.01 -1.26 -1.09 120.40 119.31 3del s VAL 50 Ca 0.12 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 3del s VAL 50 Cb -0.05 -3.49 0.23 0.00 0.00 0.00 0.00 36.38 33.07 3del s VAL 50 CO 0.06 0.37 1.35 1.51 0.00 0.00 0.00 175.10 178.39 3del s ASP 51 N 0.86 2.73 0.00 3.32 1.47 0.02 -4.91 116.67 120.16 3del s ASP 51 Ca 0.08 0.17 0.17 0.00 1.18 0.00 0.00 52.55 54.15 3del s ASP 51 Cb -0.13 -0.13 0.81 0.00 -0.34 0.00 0.00 42.92 43.14 3del s ASP 51 CO 0.03 -2.97 1.54 0.29 0.68 0.00 0.00 175.17 174.74 3del n LYS 52 N -3.90 0.12 0.00 2.11 4.76 -1.26 -1.40 118.16 118.59 3del n LYS 52 Ca 0.17 0.16 0.13 0.00 -2.87 0.00 0.00 58.31 55.90 3del n LYS 52 Cb 0.59 -1.50 0.43 0.00 -1.84 0.00 0.00 35.03 32.71 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 -1.39 0.17 -0.73 1.97 1.74 -1.26 -4.94 116.66 112.22 3del n ARG 53 Ca 0.06 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3del n ARG 53 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.45 0.67 3.89 -0.13 0.00 -0.49 -5.05 105.19 105.53 3del n GLY 54 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.27 3.57 -0.12 1.61 0.41 -1.26 -4.83 118.70 117.81 3del s GLU 55 Ca 0.00 -0.13 -0.29 0.00 -0.41 0.00 0.00 54.97 54.13 3del s GLU 55 Cb 0.00 -3.00 -0.01 0.00 -1.78 0.00 0.00 34.13 29.34 3del s GLU 55 CO 0.00 0.59 1.00 0.08 -0.49 0.00 0.00 175.26 176.44 3del s VAL 56 N -1.44 4.77 0.35 2.63 1.01 -1.26 -0.80 120.40 125.66 3del s VAL 56 Ca 0.33 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.38 3del s VAL 56 Cb -0.13 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 3del s VAL 56 CO 0.21 -0.02 0.04 0.68 0.00 0.00 0.00 175.10 176.00 3del s VAL 57 N 2.17 1.48 0.00 2.92 -7.23 -0.25 -4.97 120.40 114.52 3del s VAL 57 Ca 0.47 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3del s VAL 57 Cb -0.18 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.93 3del s VAL 57 CO 0.16 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3del n GLY 58 N -0.77 1.33 0.19 2.32 0.00 -1.26 -1.68 105.19 105.32 3del n GLY 58 Ca -0.03 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 0.47 -0.18 1.61 3.57 -0.71 -1.50 116.94 120.20 3del h PHE 59 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3del h PHE 59 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3del h PHE 59 CO 0.00 0.26 -0.06 -0.44 -2.23 0.00 0.00 178.31 175.84 3del h ASP 60 N 0.51 0.26 -0.04 0.41 3.32 -1.33 -0.89 116.42 118.65 3del h ASP 60 Ca 0.18 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3del h ASP 60 Cb 0.03 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3del h ASP 60 CO -0.09 0.36 -0.29 0.40 -1.72 0.00 0.00 179.24 177.90 3del h ILE 61 N 0.27 1.47 -0.95 0.35 1.08 -1.58 0.91 117.51 119.05 3del h ILE 61 Ca 0.06 -1.79 0.03 0.00 -0.39 0.00 0.00 64.86 62.77 3del h ILE 61 Cb 0.29 2.48 -0.05 0.00 -3.07 0.00 0.00 36.82 36.47 3del h ILE 61 CO 0.01 0.50 0.63 0.44 -0.69 0.00 0.00 178.15 179.04 3del h ASP 62 N -0.29 1.06 -0.15 1.72 5.19 -1.22 -1.60 116.42 121.12 3del h ASP 62 Ca -0.02 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 3del h ASP 62 Cb 0.97 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 3del h ASP 62 CO 0.06 0.74 0.03 0.25 -3.12 0.00 0.00 179.24 177.20 3del h LEU 63 N 1.23 0.24 -0.93 1.55 5.85 -1.11 -1.81 115.31 120.33 3del h LEU 63 Ca 0.37 -0.24 0.16 0.00 0.84 0.00 0.00 57.88 59.01 3del h LEU 63 Cb -0.05 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.82 3del h LEU 63 CO -0.11 0.42 0.53 0.00 -0.34 0.00 0.00 178.44 178.94 3del h ALA 64 N 0.83 1.47 -0.31 1.25 0.00 -0.61 0.58 119.26 122.47 3del h ALA 64 Ca 0.05 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3del h ALA 64 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3del h ALA 64 CO 0.00 -0.04 -0.31 -0.09 0.00 0.00 0.00 179.25 178.81 3del h ARG 65 N 0.72 0.76 -0.56 0.00 2.43 -1.13 -0.70 114.38 115.90 3del h ARG 65 Ca 0.52 -0.40 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3del h ARG 65 Cb 0.74 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3del h ARG 65 CO -0.36 1.02 0.36 0.93 -1.51 0.00 0.00 179.97 180.41 3del h GLU 66 N 0.52 0.70 -0.30 0.20 4.39 -0.72 -1.28 114.58 118.09 3del h GLU 66 Ca 0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3del h GLU 66 Cb 0.89 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3del h GLU 66 CO 0.08 0.46 0.18 0.82 -1.16 0.00 0.00 179.01 179.39 3del h ILE 67 N 0.72 1.11 -0.80 3.13 2.04 -0.77 -2.32 117.51 120.61 3del h ILE 67 Ca 0.22 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3del h ILE 67 Cb -0.04 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3del h ILE 67 CO -0.07 0.11 0.53 0.77 0.00 0.00 0.00 178.15 179.49 3del h SER 68 N 0.38 0.85 -0.74 1.72 4.64 -0.88 -0.70 113.55 118.82 3del h SER 68 Ca 0.11 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3del h SER 68 Cb 0.02 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3del h SER 68 CO -0.02 0.59 0.26 0.78 -0.87 0.00 0.00 176.83 177.56 3del h ASN 69 N 0.99 1.05 -0.25 4.97 2.35 -1.01 0.44 115.58 124.12 3del h ASN 69 Ca 0.32 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3del h ASN 69 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3del h ASN 69 CO -0.09 0.96 -0.11 0.11 -1.65 0.00 0.00 177.43 176.65 3del h LYS 70 N 1.08 0.64 -0.00 0.81 1.79 -0.77 -2.85 116.57 117.27 3del h LYS 70 Ca 0.24 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3del h LYS 70 Cb 0.27 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3del h LYS 70 CO -0.01 0.74 -0.03 1.28 -1.08 0.00 0.00 179.45 180.35 3del n LEU 71 N -4.18 0.06 -2.69 2.94 4.77 -0.35 -4.92 117.00 112.62 3del n LEU 71 Ca 0.01 0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 56.15 3del n LEU 71 Cb 0.34 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3del n LEU 71 CO 0.42 0.01 0.16 0.61 -1.33 0.00 0.00 177.39 177.26 3del n GLY 72 N 1.37 -0.14 3.30 -0.72 0.00 -0.69 -5.03 105.19 103.28 3del n GLY 72 Ca 0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.89 1.20 -0.18 1.61 1.02 0.06 -4.58 119.74 112.97 3del s LYS 73 Ca 0.40 -1.50 -0.16 0.00 0.02 0.00 0.00 55.97 54.73 3del s LYS 73 Cb -0.18 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 3del s LYS 73 CO 0.50 0.14 0.42 0.99 -0.92 0.00 0.00 175.35 176.49 3del s THR 74 N -3.01 5.19 0.20 2.17 2.01 0.06 -4.21 115.64 118.05 3del s THR 74 Ca 0.19 0.78 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 3del s THR 74 Cb 0.00 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 3del s THR 74 CO 0.04 0.27 1.26 -0.22 -0.69 0.00 0.00 174.62 175.27 3del s LEU 75 N 1.16 4.43 -0.34 4.42 2.96 -1.26 -0.36 118.68 129.70 3del s LEU 75 Ca 0.21 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.46 3del s LEU 75 Cb -0.15 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.04 3del s LEU 75 CO 0.08 -0.46 0.12 -0.62 -1.32 0.00 0.00 176.35 174.15 3del s ASP 76 N 0.22 4.09 -0.14 3.68 -1.08 -0.06 -4.89 116.67 118.48 3del s ASP 76 Ca 0.55 -1.91 -0.26 0.00 -0.52 0.00 0.00 52.55 50.41 3del s ASP 76 Cb -0.35 -1.03 -0.02 0.00 -1.46 0.00 0.00 42.92 40.07 3del s ASP 76 CO 0.38 -0.38 0.84 -0.69 0.52 0.00 0.00 175.17 175.84 3del s VAL 77 N 1.26 4.89 -0.04 1.11 1.01 -1.26 -1.39 120.40 125.98 3del s VAL 77 Ca 0.11 1.67 0.06 0.00 0.00 0.00 0.00 61.98 63.83 3del s VAL 77 Cb -0.19 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 3del s VAL 77 CO -0.18 0.05 -0.21 -0.13 0.00 0.00 0.00 175.10 174.64 3del s ARG 78 N 1.93 1.96 -0.02 2.72 0.52 -0.15 -4.97 118.95 120.94 3del s ARG 78 Ca 0.40 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.72 3del s ARG 78 Cb -0.17 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 3del s ARG 78 CO 0.14 0.37 0.39 -1.21 0.02 0.00 0.00 175.30 175.01 3del s GLU 79 N -0.23 3.94 0.05 3.54 2.02 -1.26 -1.35 118.70 125.41 3del s GLU 79 Ca 0.01 0.37 -0.04 0.00 0.02 0.00 0.00 54.97 55.33 3del s GLU 79 Cb -0.11 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 3del s GLU 79 CO 0.01 0.64 0.06 -0.06 0.02 0.00 0.00 175.26 175.94 3del s PHE 80 N -0.90 0.30 0.42 1.61 0.08 -0.36 -4.92 117.98 114.21 3del s PHE 80 Ca 0.23 -0.72 -0.26 0.00 0.12 0.00 0.00 56.93 56.31 3del s PHE 80 Cb -0.16 -0.21 -0.10 0.00 -0.57 0.00 0.00 43.02 41.98 3del s PHE 80 CO 0.12 -0.40 1.31 0.43 -0.10 0.00 0.00 175.22 176.59 3del n SER 81 N 0.42 2.78 -0.24 1.36 7.64 -1.26 -4.09 113.62 120.23 3del n SER 81 Ca -0.17 1.13 0.04 0.00 1.01 0.00 0.00 58.87 60.88 3del n SER 81 Cb 0.60 -1.52 0.16 0.00 -1.01 0.00 0.00 64.21 62.44 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 2.22 0.48 0.00 1.43 3.57 -1.95 -1.22 116.94 121.47 3del h PHE 82 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3del h PHE 82 Cb 1.29 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3del h PHE 82 CO 0.49 0.08 0.00 -0.40 -2.23 0.00 0.00 178.31 176.24 3del n ASP 83 N -5.00 0.00 -0.11 0.41 5.75 -1.26 -2.24 116.55 114.10 3del n ASP 83 Ca 0.13 -0.50 0.05 0.00 -0.01 0.00 0.00 54.79 54.46 3del n ASP 83 Cb 0.37 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 3del n ASP 83 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3del n ALA 84 N -0.96 3.09 -0.07 2.12 0.00 -0.46 -4.74 120.51 119.49 3del n ALA 84 Ca 0.10 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 3del n ALA 84 Cb 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 0.55 0.33 -0.63 0.00 3.38 -1.46 -2.27 115.31 115.20 3del h LEU 85 Ca 0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3del h LEU 85 Cb 0.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3del h LEU 85 CO 0.00 0.47 0.12 0.40 0.09 0.00 0.00 178.44 179.53 3del h ILE 86 N 0.17 1.26 -0.20 1.22 1.08 -1.85 -1.57 117.51 117.62 3del h ILE 86 Ca 0.07 -0.98 0.02 0.00 -0.39 0.00 0.00 64.86 63.58 3del h ILE 86 Cb 0.27 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3del h ILE 86 CO 0.00 0.37 0.04 0.25 -0.69 0.00 0.00 178.15 178.12 3del h LEU 87 N 0.95 0.02 -1.07 1.44 5.85 -1.85 -0.23 115.31 120.42 3del h LEU 87 Ca 0.19 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3del h LEU 87 Cb 0.40 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3del h LEU 87 CO 0.01 0.04 0.05 0.78 -0.34 0.00 0.00 178.44 178.98 3del h ASN 88 N 0.13 0.67 -0.15 1.25 4.21 -1.28 -0.77 115.58 119.63 3del h ASN 88 Ca 0.09 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 3del h ASN 88 Cb 0.08 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 3del h ASN 88 CO -0.11 0.71 0.08 0.25 -1.29 0.00 0.00 177.43 177.07 3del h LEU 89 N 0.68 0.19 -1.15 1.61 5.85 -0.94 -0.50 115.31 121.06 3del h LEU 89 Ca 0.15 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3del h LEU 89 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3del h LEU 89 CO 0.01 0.22 -0.12 0.11 -0.34 0.00 0.00 178.44 178.32 3del h LYS 90 N 0.15 0.45 -0.00 1.25 1.57 -0.78 -2.24 116.57 116.97 3del h LYS 90 Ca 0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3del h LYS 90 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3del h LYS 90 CO -0.01 0.57 -0.00 1.04 -0.57 0.00 0.00 179.45 180.48 3del n GLN 91 N -4.22 0.63 -1.90 3.15 6.02 -0.32 -4.92 117.38 115.83 3del n GLN 91 Ca 0.00 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.82 3del n GLN 91 Cb 0.31 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.17 -0.40 0.19 1.08 8.25 -0.79 -4.88 115.22 117.50 3del n HIS 92 Ca 0.17 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.70 3del n HIS 92 Cb 0.20 -3.10 0.33 0.00 1.12 0.00 0.00 29.99 28.55 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 -5.15 -0.41 -0.00 -1.36 -3.44 114.38 104.02 3del h ARG 93 Ca -0.36 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 58.77 3del h ARG 93 Cb 1.18 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 30.99 3del h ARG 93 CO 0.48 0.36 -0.73 0.96 0.00 0.00 0.00 179.97 181.03 3del s ILE 94 N -3.56 1.20 -0.09 2.04 -4.36 -1.19 -5.02 121.20 110.23 3del s ILE 94 Ca 0.01 -1.94 0.15 0.00 -0.26 0.00 0.00 60.65 58.61 3del s ILE 94 Cb 0.10 -1.72 -0.21 0.00 1.25 0.00 0.00 42.46 41.89 3del s ILE 94 CO 0.68 -0.65 0.62 0.47 0.24 0.00 0.00 174.94 176.30 3del n ASP 95 N 0.05 0.71 -3.61 4.36 8.00 0.87 -4.61 116.55 122.32 3del n ASP 95 Ca -0.12 0.33 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 3del n ASP 95 Cb 0.59 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.72 -1.26 -0.23 2.24 0.00 -0.99 -4.62 121.76 114.18 3del s ALA 96 Ca -0.05 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 3del s ALA 96 Cb 0.08 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3del s ALA 96 CO 0.82 -0.44 0.03 0.08 0.00 0.00 0.00 175.76 176.26 3del s VAL 97 N -2.07 4.13 -0.25 0.00 1.01 -0.20 -0.72 120.40 122.30 3del s VAL 97 Ca -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3del s VAL 97 Cb -0.01 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.54 3del s VAL 97 CO 0.01 0.39 0.03 -0.63 0.00 0.00 0.00 175.10 174.89 3del s ILE 98 N 1.31 1.06 -0.04 2.22 1.01 -0.92 -0.93 121.20 124.91 3del s ILE 98 Ca 0.04 -1.12 0.07 0.00 0.00 0.00 0.00 60.65 59.63 3del s ILE 98 Cb -0.15 -1.56 0.13 0.00 0.01 0.00 0.00 42.46 40.89 3del s ILE 98 CO 0.02 -0.33 1.08 1.07 0.00 0.00 0.00 174.94 176.78 3del n THR 99 N 4.82 0.03 -3.61 2.92 5.66 -1.26 -4.43 114.28 118.40 3del n THR 99 Ca -0.07 -0.34 -0.25 0.00 -3.05 0.00 0.00 64.05 60.34 3del n THR 99 Cb 0.44 0.66 0.07 0.00 -1.55 0.00 0.00 70.33 69.95 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 -0.06 -0.54 3.69 1.09 0.00 -1.26 -4.85 105.19 103.25 3del n GLY 100 Ca -0.20 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -6.33 4.35 0.21 1.61 0.00 -1.26 -4.37 119.30 113.51 3del s MET 101 Ca 0.59 0.92 -0.30 0.00 0.00 0.00 0.00 55.69 56.89 3del s MET 101 Cb -0.26 -3.52 -0.09 0.00 0.00 0.00 0.00 34.83 30.96 3del s MET 101 CO 0.73 -0.14 1.36 -1.12 0.00 0.00 0.00 175.02 175.85 3del s SER 102 N 1.01 6.81 -0.37 1.11 0.01 -1.03 -1.67 113.70 119.56 3del s SER 102 Ca 0.37 2.49 -0.29 0.00 1.31 0.00 0.00 55.95 59.83 3del s SER 102 Cb -0.17 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.46 3del s SER 102 CO 0.15 -0.60 1.28 -0.63 0.41 0.00 0.00 173.24 173.86 3del s ILE 103 N 0.15 4.11 0.08 1.44 1.01 -0.23 -4.84 121.20 122.92 3del s ILE 103 Ca 0.58 1.19 0.08 0.00 0.00 0.00 0.00 60.65 62.51 3del s ILE 103 Cb -0.38 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.77 3del s ILE 103 CO 0.39 -0.68 -0.22 0.42 0.00 0.00 0.00 174.94 174.86 3del s THR 104 N 4.67 1.76 0.33 2.92 -4.23 -1.26 -0.16 115.64 119.68 3del s THR 104 Ca 0.55 -1.40 0.10 0.00 -1.18 0.00 0.00 61.69 59.76 3del s THR 104 Cb -0.13 -1.56 0.33 0.00 1.34 0.00 0.00 72.50 72.47 3del s THR 104 CO 0.27 0.09 1.77 -0.65 -0.54 0.00 0.00 174.62 175.56 3del h PRO 105 N 4.44 0.61 -0.24 3.99 0.11 -1.84 -0.24 132.00 138.83 3del h PRO 105 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3del h PRO 105 Cb 1.17 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3del h PRO 105 CO 0.42 0.41 0.10 1.03 -0.21 0.00 0.00 178.00 179.74 3del h SER 106 N 0.63 0.13 0.03 -2.05 0.87 -1.92 -2.84 113.55 108.39 3del h SER 106 Ca 0.58 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 61.08 3del h SER 106 Cb 1.09 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 3del h SER 106 CO -0.37 0.10 -0.24 0.03 -0.53 0.00 0.00 176.83 175.83 3del h ARG 107 N 0.22 0.36 0.00 2.24 3.08 -1.65 -2.71 114.38 115.91 3del h ARG 107 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3del h ARG 107 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3del h ARG 107 CO -0.09 0.58 0.00 1.28 -1.07 0.00 0.00 179.97 180.67 3del n LEU 108 N -4.15 0.00 0.06 3.04 4.77 -0.21 -1.30 117.00 119.21 3del n LEU 108 Ca -0.01 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3del n LEU 108 Cb 0.38 -0.30 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 3del n LEU 108 CO 0.41 -0.13 0.25 0.11 -1.33 0.00 0.00 177.39 176.70 3del h LYS 109 N 0.00 0.00 0.00 3.23 1.57 -1.35 -3.41 116.57 116.61 3del h LYS 109 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3del h LYS 109 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3del h LYS 109 CO 0.00 0.00 -1.09 -0.85 -0.57 0.00 0.00 179.45 176.94 3del n GLU 110 N -2.14 0.83 -4.13 3.15 0.28 -0.42 -5.08 120.64 113.12 3del n GLU 110 Ca 0.03 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.16 56.92 3del n GLU 110 Cb 0.45 -1.04 -0.10 0.00 1.43 0.00 0.00 31.44 32.18 3del n GLU 110 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3del s ILE 111 N -2.10 0.09 0.10 3.84 -4.36 -0.44 -4.46 121.20 113.86 3del s ILE 111 Ca -0.01 -1.85 -0.17 0.00 -0.26 0.00 0.00 60.65 58.36 3del s ILE 111 Cb 0.01 -2.07 -0.07 0.00 1.25 0.00 0.00 42.46 41.58 3del s ILE 111 CO 0.07 -0.39 0.56 -0.76 0.24 0.00 0.00 174.94 174.66 3del s LEU 112 N -3.05 4.46 -0.07 0.37 1.43 0.01 -4.42 118.68 117.41 3del s LEU 112 Ca 0.25 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3del s LEU 112 Cb 0.07 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.28 3del s LEU 112 CO 0.03 0.21 -0.05 -0.04 0.23 0.00 0.00 176.35 176.73 3del s MET 113 N -1.42 1.04 -0.34 1.70 -1.94 -1.26 -0.44 119.30 116.64 3del s MET 113 Ca 0.32 -0.13 -0.14 0.00 -1.71 0.00 0.00 55.69 54.04 3del s MET 113 Cb -0.18 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.55 3del s MET 113 CO 0.19 -0.16 0.29 0.42 -0.01 0.00 0.00 175.02 175.75 3del s ILE 114 N 1.29 5.24 0.34 2.53 1.09 -0.21 -4.85 121.20 126.64 3del s ILE 114 Ca -0.05 -0.12 -0.29 0.00 -1.10 0.00 0.00 60.65 59.10 3del s ILE 114 Cb -0.14 -3.77 -0.11 0.00 -1.06 0.00 0.00 42.46 37.39 3del s ILE 114 CO -0.02 -0.05 1.40 -2.84 -0.10 0.00 0.00 174.94 173.32 3del s PRO 115 N 1.84 4.24 0.00 2.79 0.02 -1.26 -1.01 135.00 141.62 3del s PRO 115 Ca 0.08 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3del s PRO 115 Cb -0.17 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3del s PRO 115 CO 0.11 -0.36 0.00 2.48 -0.33 0.00 0.00 177.00 178.90 3del n TYR 116 N 0.85 0.00 -3.58 6.54 0.18 -0.74 -4.92 117.16 115.49 3del n TYR 116 Ca 0.01 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.66 3del n TYR 116 Cb 0.40 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.30 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 -0.30 -0.59 0.00 -3.48 5.04 -1.23 -5.04 117.35 111.74 3del s TYR 117 Ca 0.00 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 3del s TYR 117 Cb 0.00 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.69 3del s TYR 117 CO 0.00 -0.42 0.00 0.41 -1.34 0.00 0.00 175.55 174.20 3del n GLY 118 N 1.56 2.21 3.78 8.97 0.00 -1.26 0.07 105.19 120.52 3del n GLY 118 Ca -0.15 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.18 3.72 0.10 1.61 0.41 -1.26 -4.45 118.70 114.65 3del s GLU 119 Ca 0.00 1.67 -0.31 0.00 -0.41 0.00 0.00 54.97 55.92 3del s GLU 119 Cb 0.00 -2.31 -0.07 0.00 -1.78 0.00 0.00 34.13 29.98 3del s GLU 119 CO 0.00 -0.56 1.23 -1.21 -0.49 0.00 0.00 175.26 174.24 3del s GLU 120 N -2.85 4.42 -0.35 1.61 2.02 -1.26 -2.87 118.70 119.42 3del s GLU 120 Ca 0.65 1.85 -0.01 0.00 0.02 0.00 0.00 54.97 57.48 3del s GLU 120 Cb -0.26 -3.31 0.09 0.00 0.10 0.00 0.00 34.13 30.75 3del s GLU 120 CO 0.31 -0.26 0.10 0.42 0.02 0.00 0.00 175.26 175.85 3del s ILE 121 N 0.84 2.96 -0.08 -1.63 1.01 0.95 -4.88 121.20 120.37 3del s ILE 121 Ca 0.59 -1.87 0.01 0.00 0.00 0.00 0.00 60.65 59.38 3del s ILE 121 Cb -0.32 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3del s ILE 121 CO 0.31 -0.45 0.18 0.29 0.00 0.00 0.00 174.94 175.26 3del n LYS 122 N 4.53 4.70 -3.78 2.79 5.02 -1.26 -2.25 118.16 127.92 3del n LYS 122 Ca -0.05 -0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 55.99 3del n LYS 122 Cb 0.42 -0.68 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.85 0.03 0.28 2.13 -3.43 -1.26 -2.09 115.29 110.10 3del s HIS 123 Ca 0.01 -0.40 0.07 0.00 -0.80 0.00 0.00 55.06 53.94 3del s HIS 123 Cb 0.01 0.10 -0.06 0.00 -1.43 0.00 0.00 32.58 31.20 3del s HIS 123 CO 0.04 -0.66 -0.07 -0.51 -2.00 0.00 0.00 174.74 171.55 3del s LEU 124 N -2.85 2.51 -0.26 5.38 1.43 -0.03 -4.47 118.68 120.39 3del s LEU 124 Ca 0.06 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 51.92 3del s LEU 124 Cb 0.03 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 3del s LEU 124 CO -0.09 -0.32 0.02 -0.69 0.23 0.00 0.00 176.35 175.50 3del s VAL 125 N -2.96 3.71 -0.08 -1.59 1.01 -0.14 -0.70 120.40 119.65 3del s VAL 125 Ca 0.30 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 3del s VAL 125 Cb 0.03 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3del s VAL 125 CO 0.12 0.25 0.80 -0.22 0.00 0.00 0.00 175.10 176.05 3del s LEU 126 N 1.49 4.29 -0.07 3.92 2.96 0.51 -1.06 118.68 130.72 3del s LEU 126 Ca 0.04 1.29 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 3del s LEU 126 Cb -0.16 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 3del s LEU 126 CO 0.00 -0.23 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.87 3del s VAL 127 N 1.22 2.14 0.16 1.68 1.01 0.48 -0.86 120.40 126.23 3del s VAL 127 Ca 0.41 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 3del s VAL 127 Cb -0.18 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.46 3del s VAL 127 CO 0.19 0.57 0.54 0.72 0.00 0.00 0.00 175.10 177.12 3del s PHE 128 N -0.10 -0.36 -0.25 5.22 -0.12 -0.71 -0.70 117.98 120.96 3del s PHE 128 Ca -0.05 0.08 -0.11 0.00 -0.05 0.00 0.00 56.93 56.80 3del s PHE 128 Cb -0.14 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 3del s PHE 128 CO 0.04 -0.85 0.17 0.21 -0.05 0.00 0.00 175.22 174.75 3del s LYS 129 N -3.80 4.03 2.83 1.99 2.20 -1.26 0.11 119.74 125.83 3del s LYS 129 Ca 0.04 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 3del s LYS 129 Cb -0.01 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3del s LYS 129 CO -0.10 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 3del n GLY 130 N 4.58 -0.22 3.73 5.54 0.00 -1.25 -4.90 105.19 112.68 3del n GLY 130 Ca -0.15 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 3del n GLY 130 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3del s GLU 131 N 0.00 4.72 -0.36 1.61 2.56 -1.26 -4.73 118.70 121.23 3del s GLU 131 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 54.97 56.41 3del s GLU 131 Cb 0.00 -3.36 0.12 0.00 2.00 0.00 0.00 34.13 32.89 3del s GLU 131 CO 0.00 0.27 0.16 1.21 -0.56 0.00 0.00 175.26 176.35 3del s ASN 132 N -0.22 3.72 0.14 -1.70 3.84 -1.26 -5.01 114.94 114.44 3del s ASN 132 Ca 0.45 -2.04 -0.17 0.00 0.21 0.00 0.00 52.86 51.31 3del s ASN 132 Cb -0.24 -0.83 -0.01 0.00 -0.55 0.00 0.00 41.25 39.62 3del s ASN 132 CO 0.30 -0.35 1.76 0.11 -2.79 0.00 0.00 177.10 176.13 3del h LYS 133 N 7.48 0.47 -2.94 0.43 6.56 -2.02 -3.37 116.57 123.18 3del h LYS 133 Ca -0.07 -0.05 -0.61 0.00 -1.06 0.00 0.00 60.65 58.87 3del h LYS 133 Cb 0.98 -0.10 -0.40 0.00 -0.57 0.00 0.00 32.23 32.14 3del h LYS 133 CO 0.44 0.37 -0.75 -1.01 -2.06 0.00 0.00 179.45 176.44 3del s HIS 134 N -5.97 1.86 0.27 -1.35 3.76 -1.26 -5.01 115.29 107.59 3del s HIS 134 Ca -0.13 -2.35 -0.04 0.00 -0.15 0.00 0.00 55.06 52.38 3del s HIS 134 Cb 0.10 -1.79 0.32 0.00 1.11 0.00 0.00 32.58 32.33 3del s HIS 134 CO 0.72 -0.78 1.91 -1.35 -0.85 0.00 0.00 174.74 174.39 3del h PRO 135 N 6.72 1.18 -6.23 8.40 0.11 -2.01 -3.43 132.00 136.74 3del h PRO 135 Ca 0.00 -0.10 -0.57 0.00 0.11 0.00 0.00 66.00 65.44 3del h PRO 135 Cb 0.93 -0.25 -0.08 0.00 0.11 0.00 0.00 31.00 31.71 3del h PRO 135 CO 0.46 0.82 -0.59 -0.51 -0.21 0.00 0.00 178.00 177.98 3del s LEU 136 N -9.93 3.64 0.62 2.35 1.43 -1.26 -4.55 118.68 110.98 3del s LEU 136 Ca -0.12 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3del s LEU 136 Cb 0.17 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3del s LEU 136 CO 0.81 0.06 0.97 -2.16 0.23 0.00 0.00 176.35 176.26 3del s PRO 137 N -3.19 3.10 0.24 1.29 0.04 -1.26 -5.05 135.00 130.17 3del s PRO 137 Ca 0.30 0.30 0.24 0.00 0.04 0.00 0.00 61.00 61.89 3del s PRO 137 Cb -0.09 -2.17 0.94 0.00 0.04 0.00 0.00 34.50 33.21 3del s PRO 137 CO 0.22 -0.72 1.72 1.28 0.04 0.00 0.00 177.00 179.55 3del n LEU 138 N -2.70 0.67 0.15 -3.56 4.77 -1.26 -2.61 117.00 112.45 3del n LEU 138 Ca 0.05 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 3del n LEU 138 Cb 0.56 -0.51 0.53 0.00 -2.33 0.00 0.00 43.42 41.67 3del n LEU 138 CO 0.55 -0.46 0.86 0.35 -1.33 0.00 0.00 177.39 177.36 3del n THR 139 N -2.21 0.87 0.24 -5.08 -2.24 -1.26 -2.98 114.28 101.62 3del n THR 139 Ca 0.03 0.38 0.14 0.00 -2.27 0.00 0.00 64.05 62.33 3del n THR 139 Cb 0.27 -1.34 0.41 0.00 -2.10 0.00 0.00 70.33 67.58 3del n THR 139 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3del h GLN 140 N 0.00 0.00 -6.05 -0.78 3.07 -1.82 -3.46 115.11 106.07 3del h GLN 140 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.16 3del h GLN 140 Cb 0.27 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.77 3del h GLN 140 CO 0.00 0.02 -0.08 0.71 0.09 0.00 0.00 178.83 179.57 3del s TYR 141 N -3.42 3.70 0.43 0.06 2.02 -1.16 -4.97 117.35 114.01 3del s TYR 141 Ca 0.04 1.13 0.20 0.00 -0.37 0.00 0.00 57.07 58.07 3del s TYR 141 Cb 0.07 -2.50 1.15 0.00 -0.40 0.00 0.00 41.96 40.28 3del s TYR 141 CO 0.61 0.45 1.84 0.00 -1.57 0.00 0.00 175.55 176.89 3del h ARG 142 N 5.31 0.33 -2.06 -0.62 3.08 -1.90 -3.42 114.38 115.10 3del h ARG 142 Ca -0.47 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.58 3del h ARG 142 Cb 1.20 -0.07 -0.19 0.00 0.08 0.00 0.00 29.97 30.99 3del h ARG 142 CO 0.67 0.22 0.35 -1.54 -1.07 0.00 0.00 179.97 178.60 3del s SER 143 N -5.55 -0.51 -0.18 7.04 1.04 -1.26 -4.72 113.70 109.56 3del s SER 143 Ca -0.08 0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.76 3del s SER 143 Cb 0.23 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.83 3del s SER 143 CO 0.78 -0.58 -0.13 -0.69 0.98 0.00 0.00 173.24 173.60 3del s VAL 144 N -1.87 1.70 0.22 5.02 1.01 0.71 -4.12 120.40 123.07 3del s VAL 144 Ca -0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3del s VAL 144 Cb -0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 3del s VAL 144 CO 0.01 0.34 0.95 0.00 0.00 0.00 0.00 175.10 176.40 3del s ALA 145 N 1.41 3.33 0.06 5.51 0.00 -0.41 -0.98 121.76 130.68 3del s ALA 145 Ca 0.02 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 3del s ALA 145 Cb -0.14 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3del s ALA 145 CO -0.10 0.14 0.51 0.54 0.00 0.00 0.00 175.76 176.85 3del s VAL 146 N -0.95 0.03 -0.07 0.00 0.11 -0.21 -1.41 120.40 117.91 3del s VAL 146 Ca 0.42 -0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 58.95 3del s VAL 146 Cb -0.26 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 3del s VAL 146 CO 0.32 -0.15 0.78 -1.58 -3.33 0.00 0.00 175.10 171.14 3del s GLN 147 N -2.69 4.44 0.26 1.54 0.74 -1.26 -0.90 119.66 121.80 3del s GLN 147 Ca -0.04 1.01 -0.30 0.00 0.05 0.00 0.00 55.36 56.08 3del s GLN 147 Cb -0.00 -3.47 -0.14 0.00 1.10 0.00 0.00 33.01 30.50 3del s GLN 147 CO -0.04 -0.01 1.17 2.41 -0.55 0.00 0.00 175.29 178.27 3del n THR 148 N 3.94 1.55 -0.85 -0.34 -1.04 0.63 -3.08 114.28 115.08 3del n THR 148 Ca 0.01 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 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 1.51 0.80 3.95 3.41 0.00 -1.26 -4.94 105.19 108.66 3del n GLY 149 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.08 4.54 0.24 2.61 -4.23 -1.18 -0.89 115.64 113.66 3del s THR 150 Ca 0.00 -0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 3del s THR 150 Cb 0.00 -3.67 0.17 0.00 1.34 0.00 0.00 72.50 70.35 3del s THR 150 CO 0.00 -0.45 1.82 0.22 -0.54 0.00 0.00 174.62 175.67 3del h TYR 151 N 0.57 1.10 -0.43 3.99 3.20 -1.91 -2.75 116.97 120.73 3del h TYR 151 Ca -0.48 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.35 3del h TYR 151 Cb 1.24 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3del h TYR 151 CO 0.48 0.83 0.29 -0.56 -1.64 0.00 0.00 178.16 177.56 3del h GLN 152 N 1.07 0.46 -0.33 1.82 -0.00 -1.95 -0.05 115.11 116.13 3del h GLN 152 Ca 0.25 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 3del h GLN 152 Cb 0.19 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.55 3del h GLN 152 CO -0.02 0.30 0.13 1.49 -0.00 0.00 0.00 178.83 180.73 3del h GLU 153 N 0.47 0.50 -0.66 0.06 4.81 -1.72 -1.71 114.58 116.33 3del h GLU 153 Ca 0.17 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3del h GLU 153 Cb 0.11 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3del h GLU 153 CO -0.04 0.51 0.43 0.00 -0.73 0.00 0.00 179.01 179.18 3del h ALA 154 N 0.97 0.84 -0.33 2.92 0.00 -1.07 -0.94 119.26 121.65 3del h ALA 154 Ca 0.11 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3del h ALA 154 Cb 0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3del h ALA 154 CO -0.01 0.24 0.06 -0.92 0.00 0.00 0.00 179.25 178.62 3del h TYR 155 N 0.87 0.09 -0.79 0.00 3.20 -0.93 -2.33 116.97 117.08 3del h TYR 155 Ca 0.25 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 3del h TYR 155 Cb -0.07 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3del h TYR 155 CO -0.03 0.01 0.38 -0.07 -1.64 0.00 0.00 178.16 176.80 3del h LEU 156 N 0.17 1.03 -1.78 2.82 3.38 -0.81 -2.28 115.31 117.84 3del h LEU 156 Ca 0.16 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3del h LEU 156 Cb 0.18 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3del h LEU 156 CO -0.21 0.87 -0.14 1.56 0.09 0.00 0.00 178.44 180.61 3del h GLN 157 N 1.13 0.00 0.00 1.13 4.20 -0.89 -1.86 115.11 118.81 3del h GLN 157 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3del h GLN 157 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3del h GLN 157 CO -0.03 0.14 0.00 -1.13 -0.67 0.00 0.00 178.83 177.13 3del n SER 158 N -4.21 0.63 -4.71 1.46 3.41 -0.86 -4.81 113.62 104.54 3del n SER 158 Ca -0.02 0.62 -0.38 0.00 -0.26 0.00 0.00 58.87 58.82 3del n SER 158 Cb 0.21 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 3del n SER 158 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3del s LEU 159 N -4.31 4.26 0.28 1.04 1.43 -0.70 -5.05 118.68 115.62 3del s LEU 159 Ca 0.07 0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 3del s LEU 159 Cb 0.11 -2.73 -0.10 0.00 0.03 0.00 0.00 46.19 43.50 3del s LEU 159 CO 0.45 -0.04 1.29 -0.55 0.23 0.00 0.00 176.35 177.73 3del s SER 160 N 0.71 6.87 -1.31 2.29 0.15 -1.26 -3.65 113.70 117.49 3del s SER 160 Ca 0.27 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.47 3del s SER 160 Cb -0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 3del s SER 160 CO 0.11 -0.49 0.00 -0.62 1.20 0.00 0.00 173.24 173.44 3del n GLU 161 N 1.47 -1.00 -4.05 5.44 1.02 -1.26 -4.85 120.64 117.41 3del n GLU 161 Ca 0.02 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.65 3del n GLU 161 Cb 0.42 -4.99 -0.12 0.00 -0.02 0.00 0.00 31.44 26.73 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 -2.58 4.01 -0.18 2.62 1.01 -1.24 -4.53 120.40 119.52 3del s VAL 162 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3del s VAL 162 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3del s VAL 162 CO 0.00 0.42 0.52 -1.00 0.00 0.00 0.00 175.10 175.05 3del s HIS 163 N 1.01 3.41 -0.11 5.22 3.76 -1.26 -4.98 115.29 122.34 3del s HIS 163 Ca 0.02 0.83 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 3del s HIS 163 Cb -0.14 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 3del s HIS 163 CO 0.02 -0.04 -0.08 0.42 -0.85 0.00 0.00 174.74 174.21 3del s ILE 164 N 1.40 3.57 -0.32 0.60 1.01 -1.26 -0.21 121.20 125.99 3del s ILE 164 Ca 0.25 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3del s ILE 164 Cb -0.15 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.85 3del s ILE 164 CO 0.10 0.54 0.06 -0.13 0.00 0.00 0.00 174.94 175.52 3del s ARG 165 N -0.12 2.66 -0.12 2.79 0.52 -0.15 -4.85 118.95 119.67 3del s ARG 165 Ca 0.01 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.00 3del s ARG 165 Cb -0.13 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 3del s ARG 165 CO 0.03 -0.60 0.16 -1.12 0.02 0.00 0.00 175.30 173.79 3del s SER 166 N 1.37 6.40 0.09 0.23 0.01 -1.26 -1.04 113.70 119.50 3del s SER 166 Ca -0.02 0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.75 3del s SER 166 Cb -0.19 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 3del s SER 166 CO 0.01 0.37 -0.09 -0.36 0.41 0.00 0.00 173.24 173.59 3del s PHE 167 N -0.86 0.97 0.33 2.43 0.08 -0.08 -4.86 117.98 116.00 3del s PHE 167 Ca 0.15 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.54 3del s PHE 167 Cb -0.12 -0.54 0.58 0.00 -0.57 0.00 0.00 43.02 42.37 3del s PHE 167 CO 0.04 -0.04 1.91 -0.44 -0.10 0.00 0.00 175.22 176.58 3del h ASP 168 N 3.57 0.61 -4.30 1.36 3.32 -1.92 0.18 116.42 119.23 3del h ASP 168 Ca -0.37 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.27 3del h ASP 168 Cb 1.19 -0.16 -0.18 0.00 0.22 0.00 0.00 39.33 40.40 3del h ASP 168 CO 0.54 0.59 -0.73 -0.94 -1.72 0.00 0.00 179.24 176.97 3del s SER 169 N -6.64 1.55 0.29 6.45 1.04 -1.26 -4.70 113.70 110.43 3del s SER 169 Ca -0.09 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 3del s SER 169 Cb 0.16 -0.00 0.44 0.00 0.10 0.00 0.00 66.02 66.71 3del s SER 169 CO 0.77 -0.25 1.94 0.74 0.98 0.00 0.00 173.24 177.41 3del h THR 170 N 3.49 1.16 -0.39 2.02 2.02 -1.98 -2.13 112.91 117.11 3del h THR 170 Ca -0.38 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.49 3del h THR 170 Cb 1.19 -0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 67.43 3del h THR 170 CO 0.53 0.21 -0.22 0.25 0.37 0.00 0.00 175.52 176.66 3del h LEU 171 N 1.14 -0.73 -0.51 2.58 6.46 -1.99 -1.23 115.31 121.02 3del h LEU 171 Ca 0.35 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 58.25 3del h LEU 171 Cb -0.00 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 3del h LEU 171 CO -0.10 -0.25 0.23 -0.33 -0.62 0.00 0.00 178.44 177.37 3del h GLU 172 N -0.15 0.75 -0.42 1.25 5.08 -1.85 -1.10 114.58 118.13 3del h GLU 172 Ca 0.19 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3del h GLU 172 Cb 0.45 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 3del h GLU 172 CO -0.48 0.64 0.10 0.28 -1.00 0.00 0.00 179.01 178.55 3del h VAL 173 N 0.68 0.80 -0.08 3.13 2.07 -0.99 -1.54 116.25 120.33 3del h VAL 173 Ca 0.17 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 67.39 3del h VAL 173 Cb 0.15 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3del h VAL 173 CO -0.02 0.04 -0.84 -0.07 0.02 0.00 0.00 177.57 176.70 3del h LEU 174 N 0.24 0.74 -1.13 2.57 3.38 -1.10 -3.13 115.31 116.88 3del h LEU 174 Ca 0.20 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 3del h LEU 174 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3del h LEU 174 CO -0.25 1.31 -0.29 0.24 0.09 0.00 0.00 178.44 179.54 3del h MET 175 N 0.39 0.25 -0.71 1.13 2.86 -1.11 -0.41 114.93 117.33 3del h MET 175 Ca -0.07 -0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3del h MET 175 Cb 1.46 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 33.03 3del h MET 175 CO 0.16 0.52 0.33 1.49 1.06 0.00 0.00 176.91 180.47 3del h GLU 176 N 0.22 0.54 -0.05 1.72 4.57 -1.22 -0.79 114.58 119.57 3del h GLU 176 Ca 0.03 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 3del h GLU 176 Cb 0.63 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3del h GLU 176 CO 0.05 0.36 -0.57 0.28 -1.18 0.00 0.00 179.01 177.95 3del h VAL 177 N 0.56 1.39 -0.89 0.32 2.07 -1.42 -1.02 116.25 117.26 3del h VAL 177 Ca 0.35 -1.95 0.12 0.00 0.82 0.00 0.00 66.70 66.05 3del h VAL 177 Cb 0.41 2.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 3del h VAL 177 CO -0.29 0.58 0.57 0.24 0.02 0.00 0.00 177.57 178.69 3del h MET 178 N 0.03 0.75 -0.09 1.57 2.86 -0.81 -1.64 114.93 117.60 3del h MET 178 Ca -0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3del h MET 178 Cb 1.24 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3del h MET 178 CO 0.11 0.50 0.00 0.72 1.06 0.00 0.00 176.91 179.30 3del n HIS 179 N -4.55 0.11 -1.21 -0.22 -0.00 -0.33 -4.94 115.22 104.09 3del n HIS 179 Ca 0.16 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.72 57.76 3del n HIS 179 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.35 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 1.11 0.92 0.15 -1.41 0.00 -0.62 -4.92 105.19 100.42 3del n GLY 180 Ca 0.17 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 0.10 0.39 -5.93 1.61 1.57 -1.43 -3.44 116.57 109.45 3del h LYS 181 Ca -0.15 -0.45 -0.55 0.00 -1.87 0.00 0.00 60.65 57.63 3del h LYS 181 Cb 0.53 0.14 -0.26 0.00 0.08 0.00 0.00 32.23 32.72 3del h LYS 181 CO 0.22 1.13 -0.83 -1.12 -0.57 0.00 0.00 179.45 178.27 3del s SER 182 N -7.10 2.30 0.32 0.86 0.01 -1.09 -4.96 113.70 104.05 3del s SER 182 Ca -0.06 -0.50 0.15 0.00 1.31 0.00 0.00 55.95 56.85 3del s SER 182 Cb 0.08 -0.19 0.49 0.00 0.21 0.00 0.00 66.02 66.62 3del s SER 182 CO 0.87 0.14 1.66 1.55 0.41 0.00 0.00 173.24 177.86 3del h PRO 183 N 4.91 0.00 -3.97 12.44 0.13 -1.86 -3.37 132.00 140.28 3del h PRO 183 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 3del h PRO 183 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 3del h PRO 183 CO 0.44 0.49 -0.54 0.14 -0.23 0.00 0.00 178.00 178.30 3del s VAL 184 N -3.54 0.17 0.18 1.56 -7.23 -1.26 -4.42 120.40 105.86 3del s VAL 184 Ca -0.00 -1.38 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 3del s VAL 184 Cb 0.11 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 3del s VAL 184 CO 0.72 -0.76 -0.12 0.00 -0.31 0.00 0.00 175.10 174.63 3del s ALA 185 N -3.42 1.75 -0.11 1.32 0.00 0.12 -1.29 121.76 120.14 3del s ALA 185 Ca 0.02 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.43 3del s ALA 185 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3del s ALA 185 CO -0.08 -0.01 -0.19 0.08 0.00 0.00 0.00 175.76 175.55 3del s VAL 186 N -3.14 1.76 0.20 0.00 1.01 -0.50 -0.39 120.40 119.35 3del s VAL 186 Ca 0.20 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.47 3del s VAL 186 Cb 0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3del s VAL 186 CO 0.04 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 174.64 3del s LEU 187 N 0.68 2.46 0.20 3.92 1.43 -0.23 -4.61 118.68 122.53 3del s LEU 187 Ca -0.12 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.79 3del s LEU 187 Cb -0.16 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.86 3del s LEU 187 CO 0.03 0.09 1.06 -0.70 0.23 0.00 0.00 176.35 177.06 3del s GLU 188 N -2.81 4.65 0.27 1.70 -6.30 -1.26 -0.97 118.70 113.98 3del s GLU 188 Ca 0.22 1.67 -0.00 0.00 -2.50 0.00 0.00 54.97 54.36 3del s GLU 188 Cb -0.07 -3.27 0.54 0.00 0.00 0.00 0.00 34.13 31.32 3del s GLU 188 CO 0.10 0.17 1.79 -1.35 0.02 0.00 0.00 175.26 175.99 3del h PRO 189 N 4.81 0.74 -0.12 4.30 0.11 -1.93 -1.16 132.00 138.75 3del h PRO 189 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3del h PRO 189 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3del h PRO 189 CO 0.71 0.49 -0.32 0.66 -0.21 0.00 0.00 178.00 179.33 3del h SER 190 N 0.76 0.23 -0.04 -2.05 4.64 -1.96 -1.22 113.55 113.91 3del h SER 190 Ca 0.47 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.63 3del h SER 190 Cb 0.59 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3del h SER 190 CO -0.32 0.54 -0.30 0.40 -0.87 0.00 0.00 176.83 176.29 3del h ILE 191 N 0.20 1.46 -0.74 0.95 1.08 -1.80 -3.27 117.51 115.39 3del h ILE 191 Ca 0.03 -1.79 0.15 0.00 -0.39 0.00 0.00 64.86 62.85 3del h ILE 191 Cb 0.67 2.47 -0.10 0.00 -3.07 0.00 0.00 36.82 36.79 3del h ILE 191 CO 0.05 0.50 0.26 0.00 -0.69 0.00 0.00 178.15 178.28 3del h ALA 192 N 0.37 1.02 -0.87 1.87 0.00 -1.04 -0.42 119.26 120.20 3del h ALA 192 Ca -0.03 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.15 3del h ALA 192 Cb 0.98 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3del h ALA 192 CO 0.06 -0.25 0.48 1.96 0.00 0.00 0.00 179.25 181.50 3del h GLN 193 N 0.39 0.69 0.00 0.00 1.08 -1.30 -2.57 115.11 113.40 3del h GLN 193 Ca 0.41 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 3del h GLN 193 Cb 0.65 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3del h GLN 193 CO -0.43 0.46 -0.08 0.28 -0.95 0.00 0.00 178.83 178.11 3del h VAL 194 N 0.71 0.93 -0.04 -0.54 2.07 -1.31 -3.41 116.25 114.66 3del h VAL 194 Ca 0.46 -1.72 -0.15 0.00 0.82 0.00 0.00 66.70 66.10 3del h VAL 194 Cb 0.58 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3del h VAL 194 CO -0.32 0.32 -0.65 -0.37 0.02 0.00 0.00 177.57 176.56 3del h VAL 195 N -1.00 1.42 0.00 2.57 -1.51 -1.11 -3.20 116.25 113.42 3del h VAL 195 Ca -0.02 -2.12 0.00 0.00 -1.23 0.00 0.00 66.70 63.33 3del h VAL 195 Cb 0.57 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 3del h VAL 195 CO -0.01 0.62 0.00 0.18 -1.23 0.00 0.00 177.57 177.13 3del n LEU 196 N -3.82 0.20 0.13 4.19 4.77 -0.97 -2.27 117.00 119.22 3del n LEU 196 Ca -0.02 0.55 0.18 0.00 -0.03 0.00 0.00 56.01 56.69 3del n LEU 196 Cb 0.65 -0.52 0.77 0.00 -2.33 0.00 0.00 43.42 41.99 3del n LEU 196 CO 0.44 -0.32 1.16 0.07 -1.33 0.00 0.00 177.39 177.42 3del h LYS 197 N 0.00 0.00 -0.12 3.23 2.10 -1.79 -1.49 116.57 118.49 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 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3del h LYS 197 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3del n ASP 198 N -3.95 2.17 -3.32 7.07 8.00 -0.96 -4.62 116.55 120.94 3del n ASP 198 Ca 0.05 -1.74 -0.26 0.00 0.71 0.00 0.00 54.79 53.54 3del n ASP 198 Cb 0.46 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.67 2.38 0.15 1.24 3.72 -0.56 -4.94 117.46 120.13 3del n PHE 199 Ca 0.17 -3.96 0.18 0.00 -0.05 0.00 0.00 57.45 53.79 3del n PHE 199 Cb 0.44 -0.49 0.78 0.00 -0.94 0.00 0.00 39.48 39.27 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 4.02 0.00 0.00 -1.08 0.13 -1.82 -1.95 132.00 131.30 3del h PRO 200 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3del h PRO 200 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 3del h PRO 200 CO 0.72 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.48 3del h ALA 201 N 1.72 1.00 -2.79 -0.56 0.00 -1.94 -3.45 119.26 113.25 3del h ALA 201 Ca 0.13 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.45 3del h ALA 201 Cb 0.66 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3del h ALA 201 CO -0.00 0.00 -0.14 -0.51 0.00 0.00 0.00 179.25 178.60 3del s LEU 202 N -6.19 4.40 0.42 0.00 1.43 -0.74 -3.74 118.68 114.27 3del s LEU 202 Ca 0.01 0.96 0.07 0.00 -1.03 0.00 0.00 54.13 54.15 3del s LEU 202 Cb 0.09 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 3del s LEU 202 CO 0.55 0.17 0.29 -0.44 0.23 0.00 0.00 176.35 177.16 3del s SER 203 N -0.35 4.76 0.06 2.29 0.01 0.12 -4.94 113.70 115.65 3del s SER 203 Ca 0.26 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.63 3del s SER 203 Cb -0.17 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 3del s SER 203 CO 0.13 -0.62 -0.08 0.42 0.41 0.00 0.00 173.24 173.50 3del s THR 204 N -2.54 0.64 0.06 1.44 -4.23 -1.26 -1.74 115.64 108.01 3del s THR 204 Ca 0.45 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3del s THR 204 Cb -0.00 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 3del s THR 204 CO 0.25 -0.49 -0.08 0.00 -0.54 0.00 0.00 174.62 173.76 3del s ALA 205 N -1.94 0.69 -0.01 3.99 0.00 -0.04 -4.98 121.76 119.46 3del s ALA 205 Ca -0.04 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 3del s ALA 205 Cb -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3del s ALA 205 CO -0.01 -0.06 0.76 0.99 0.00 0.00 0.00 175.76 177.45 3del s THR 206 N -1.86 4.90 -0.36 0.00 2.01 -1.26 -0.37 115.64 118.70 3del s THR 206 Ca -0.05 1.60 -0.12 0.00 0.31 0.00 0.00 61.69 63.44 3del s THR 206 Cb -0.07 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.35 3del s THR 206 CO -0.01 0.28 0.21 -0.63 -0.69 0.00 0.00 174.62 173.79 3del s ILE 207 N 0.48 4.80 -0.09 1.82 1.01 0.12 -4.90 121.20 124.45 3del s ILE 207 Ca 0.40 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 3del s ILE 207 Cb -0.19 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3del s ILE 207 CO 0.21 -0.14 0.95 -1.81 0.00 0.00 0.00 174.94 174.15 3del s ASP 208 N 1.61 7.21 0.21 3.58 1.01 -1.26 -0.85 116.67 128.17 3del s ASP 208 Ca 0.04 1.48 -0.28 0.00 0.71 0.00 0.00 52.55 54.50 3del s ASP 208 Cb -0.18 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 3del s ASP 208 CO 0.08 -0.37 0.86 -0.76 0.21 0.00 0.00 175.17 175.18 3del s LEU 209 N 1.73 4.62 0.49 1.23 1.43 -0.89 -4.97 118.68 122.33 3del s LEU 209 Ca 0.47 1.81 -0.24 0.00 -1.03 0.00 0.00 54.13 55.14 3del s LEU 209 Cb -0.19 -3.46 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 3del s LEU 209 CO 0.19 0.18 1.39 -2.65 0.23 0.00 0.00 176.35 175.70 3del n PRO 210 N 1.53 1.99 -0.32 1.29 -0.02 -1.26 -4.87 135.00 133.35 3del n PRO 210 Ca -0.04 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3del n PRO 210 Cb 0.48 -2.59 0.33 0.00 -0.02 0.00 0.00 33.50 31.69 3del n PRO 210 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3del h GLU 211 N 1.91 0.77 0.00 -0.52 4.81 -1.95 0.15 114.58 119.74 3del h GLU 211 Ca -0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3del h GLU 211 Cb 1.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3del h GLU 211 CO 0.59 0.51 0.00 -0.40 -0.73 0.00 0.00 179.01 178.98 3del n ASP 212 N -4.62 0.00 -0.49 1.04 5.68 -1.26 -1.73 116.55 115.18 3del n ASP 212 Ca 0.19 0.40 0.08 0.00 -0.50 0.00 0.00 54.79 54.96 3del n ASP 212 Cb 0.47 -0.43 0.03 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.43 1.44 -2.05 0.11 1.13 0.52 -4.91 117.38 112.18 3del n GLN 213 Ca 0.02 -1.12 -0.39 0.00 -1.94 0.00 0.00 57.00 53.56 3del n GLN 213 Cb 0.06 -1.27 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 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 -1.51 2.82 -0.10 1.08 0.51 -0.70 -4.97 118.94 116.06 3del s TRP 214 Ca 0.15 1.41 0.02 0.00 -2.12 0.00 0.00 56.10 55.56 3del s TRP 214 Cb 0.12 -3.67 0.02 0.00 -0.81 0.00 0.00 33.47 29.13 3del s TRP 214 CO 0.27 -2.09 -0.14 0.14 -0.51 0.00 0.00 176.95 174.63 3del s VAL 215 N -1.26 1.38 -0.71 4.03 -7.23 -0.95 -4.48 120.40 111.18 3del s VAL 215 Ca 0.57 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 3del s VAL 215 Cb -0.38 -1.28 0.38 0.00 0.56 0.00 0.00 36.38 35.66 3del s VAL 215 CO 0.49 0.42 1.75 0.18 -0.31 0.00 0.00 175.10 177.63 3del n LEU 216 N 4.23 6.70 0.00 1.32 4.77 0.78 -0.04 117.00 134.76 3del n LEU 216 Ca -0.19 -4.91 0.00 0.00 -0.03 0.00 0.00 56.01 50.88 3del n LEU 216 Cb 0.51 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3del n LEU 216 CO 0.23 1.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 3del n GLY 217 N -0.55 -1.42 3.63 -0.72 0.00 -1.14 -4.65 105.19 100.35 3del n GLY 217 Ca 0.50 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 2.96 0.04 1.61 2.02 0.11 -1.06 117.35 123.03 3del s TYR 218 Ca 0.00 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3del s TYR 218 Cb 0.00 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3del s TYR 218 CO 0.00 0.41 -0.03 0.20 -1.57 0.00 0.00 175.55 174.56 3del s GLY 219 N -1.44 0.38 -0.21 0.71 0.00 -0.67 -1.80 107.32 104.29 3del s GLY 219 Ca 0.18 -0.94 -0.23 0.00 0.00 0.00 0.00 44.72 43.73 3del s GLY 219 CO 0.08 -1.03 0.73 -0.42 0.00 0.00 0.00 173.10 172.46 3del s ILE 220 N -2.83 4.94 0.01 0.90 1.01 -0.18 -4.40 121.20 120.64 3del s ILE 220 Ca -0.03 1.38 -0.27 0.00 0.00 0.00 0.00 60.65 61.73 3del s ILE 220 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3del s ILE 220 CO -0.06 0.04 0.85 -0.83 0.00 0.00 0.00 174.94 174.94 3del s GLY 221 N 1.25 2.81 -0.01 6.18 0.00 -0.10 -1.04 107.32 116.42 3del s GLY 221 Ca 0.32 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.44 3del s GLY 221 CO 0.10 1.38 -0.10 0.14 0.00 0.00 0.00 173.10 174.62 3del s VAL 222 N 0.57 0.76 0.43 1.40 1.01 0.42 -1.03 120.40 123.96 3del s VAL 222 Ca 0.44 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 3del s VAL 222 Cb -0.20 -0.64 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 3del s VAL 222 CO 0.24 0.20 1.35 0.00 0.00 0.00 0.00 175.10 176.89 3del n ALA 223 N 2.81 1.66 0.26 5.51 0.00 -1.26 -0.81 120.51 128.68 3del n ALA 223 Ca -0.14 0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.68 3del n ALA 223 Cb 0.57 -2.33 0.72 0.00 0.00 0.00 0.00 19.45 18.41 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 2.20 0.00 -0.43 0.00 0.02 -1.91 -1.75 113.55 111.69 3del h SER 224 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3del h SER 224 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3del h SER 224 CO 0.60 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 175.48 3del n ASP 225 N -3.93 3.58 -2.84 3.07 5.68 -1.26 -4.18 116.55 116.66 3del n ASP 225 Ca -0.02 -2.38 -0.21 0.00 -0.50 0.00 0.00 54.79 51.67 3del n ASP 225 Cb 0.18 -0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 39.63 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 0.62 2.29 0.16 0.11 1.74 -0.66 -4.94 116.66 115.99 3del n ARG 226 Ca 0.18 -4.08 0.03 0.00 -0.77 0.00 0.00 57.85 53.21 3del n ARG 226 Cb 0.71 -1.91 0.42 0.00 -1.02 0.00 0.00 32.46 30.66 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 0.13 -0.65 5.56 0.13 -1.75 -2.25 132.00 136.06 3del h PRO 227 Ca 0.12 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.19 3del h PRO 227 Cb 0.85 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 3del h PRO 227 CO 0.68 0.31 0.32 0.00 -0.23 0.00 0.00 178.00 179.08 3del h ALA 228 N 1.70 0.84 -0.49 -0.56 0.00 -1.96 -1.04 119.26 117.74 3del h ALA 228 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3del h ALA 228 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3del h ALA 228 CO 0.03 0.40 0.19 1.25 0.00 0.00 0.00 179.25 181.11 3del h LEU 229 N 0.90 0.68 -0.87 0.00 5.85 -1.90 -2.51 115.31 117.46 3del h LEU 229 Ca 0.22 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3del h LEU 229 Cb 0.11 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3del h LEU 229 CO -0.03 0.67 0.53 0.00 -0.34 0.00 0.00 178.44 179.28 3del h ALA 230 N 1.04 1.23 -0.67 1.25 0.00 -0.96 -0.64 119.26 120.50 3del h ALA 230 Ca 0.16 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3del h ALA 230 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3del h ALA 230 CO -0.01 0.23 0.14 -0.07 0.00 0.00 0.00 179.25 179.54 3del h LEU 231 N 0.94 1.04 -0.49 0.00 3.38 -1.08 -0.76 115.31 118.33 3del h LEU 231 Ca 0.40 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3del h LEU 231 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3del h LEU 231 CO -0.20 1.01 0.12 0.11 0.09 0.00 0.00 178.44 179.57 3del h LYS 232 N 1.03 0.79 -0.62 1.13 1.57 -0.91 -1.13 116.57 118.42 3del h LYS 232 Ca 0.21 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3del h LYS 232 Cb 0.40 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3del h LYS 232 CO 0.01 0.77 0.02 0.82 -0.57 0.00 0.00 179.45 180.49 3del h ILE 233 N 0.67 1.27 -0.21 1.86 2.04 -0.96 -1.07 117.51 121.11 3del h ILE 233 Ca 0.15 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.90 3del h ILE 233 Cb 0.33 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3del h ILE 233 CO 0.00 0.42 0.05 -0.08 0.00 0.00 0.00 178.15 178.54 3del h GLU 234 N 0.98 0.13 -0.61 2.37 4.81 -1.03 0.27 114.58 121.51 3del h GLU 234 Ca 0.18 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3del h GLU 234 Cb 0.54 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 3del h GLU 234 CO 0.03 0.09 0.36 0.00 -0.73 0.00 0.00 179.01 178.76 3del h ALA 235 N 1.15 0.79 0.18 2.92 0.00 -1.02 0.05 119.26 123.32 3del h ALA 235 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3del h ALA 235 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3del h ALA 235 CO -0.12 0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 3del h ALA 236 N 1.27 -0.31 -0.68 0.00 0.00 -0.91 -1.84 119.26 116.79 3del h ALA 236 Ca 0.25 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3del h ALA 236 Cb 0.04 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3del h ALA 236 CO -0.11 -0.69 0.35 0.28 0.00 0.00 0.00 179.25 179.07 3del h VAL 237 N -0.33 0.88 -0.50 0.00 2.07 -0.75 -0.95 116.25 116.67 3del h VAL 237 Ca -0.01 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3del h VAL 237 Cb 0.30 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3del h VAL 237 CO -0.01 0.11 0.27 1.56 0.02 0.00 0.00 177.57 179.52 3del h GLN 238 N 0.61 0.52 -0.31 1.57 4.20 -0.80 -0.59 115.11 120.30 3del h GLN 238 Ca 0.33 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 3del h GLN 238 Cb 0.31 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3del h GLN 238 CO -0.24 0.34 0.09 1.49 -0.67 0.00 0.00 178.83 179.83 3del h GLU 239 N 0.53 0.50 -0.97 1.46 4.81 -0.95 -1.52 114.58 118.43 3del h GLU 239 Ca 0.21 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3del h GLU 239 Cb 0.08 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3del h GLU 239 CO -0.13 0.55 0.63 0.82 -0.73 0.00 0.00 179.01 180.16 3del h ILE 240 N 0.35 1.11 0.48 2.32 2.04 -0.99 -1.02 117.51 121.80 3del h ILE 240 Ca 0.10 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3del h ILE 240 Cb 0.27 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3del h ILE 240 CO -0.00 0.21 -0.23 -0.09 0.00 0.00 0.00 178.15 178.04 3del h ARG 241 N 1.15 -0.62 -0.28 2.37 2.43 -0.93 -1.99 114.38 116.51 3del h ARG 241 Ca 0.41 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.60 3del h ARG 241 Cb 0.13 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3del h ARG 241 CO -0.15 -0.35 0.08 1.57 -1.51 0.00 0.00 179.97 179.61 3del h LYS 242 N -0.78 0.40 0.00 0.20 2.10 -1.04 -0.63 116.57 116.81 3del h LYS 242 Ca -0.07 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 3del h LYS 242 Cb 0.56 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3del h LYS 242 CO 0.11 0.36 -0.03 0.93 -2.00 0.00 0.00 179.45 178.82 3del h GLU 243 N 0.40 0.00 0.00 0.07 5.08 -1.23 -3.46 114.58 115.44 3del h GLU 243 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3del h GLU 243 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3del h GLU 243 CO -0.01 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 3del n GLY 244 N -0.29 0.67 0.30 -3.84 0.00 -0.25 -4.95 105.19 96.84 3del n GLY 244 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 1.25 -0.41 1.61 2.07 -1.57 -1.91 116.25 117.30 3del h VAL 245 Ca 0.00 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3del h VAL 245 Cb 0.00 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3del h VAL 245 CO 0.00 0.38 0.24 0.25 0.02 0.00 0.00 177.57 178.47 3del h LEU 246 N 0.85 0.40 -0.86 2.57 5.85 -1.75 0.12 115.31 122.48 3del h LEU 246 Ca 0.16 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3del h LEU 246 Cb 0.50 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3del h LEU 246 CO 0.02 0.28 0.17 0.00 -0.34 0.00 0.00 178.44 178.58 3del h ALA 247 N 1.18 1.07 -0.50 1.25 0.00 -1.83 -1.89 119.26 118.54 3del h ALA 247 Ca 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3del h ALA 247 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3del h ALA 247 CO -0.07 0.62 0.31 0.93 0.00 0.00 0.00 179.25 181.04 3del h GLU 248 N 0.97 0.66 -0.52 0.00 5.08 -0.82 -2.08 114.58 117.87 3del h GLU 248 Ca 0.21 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3del h GLU 248 Cb 0.33 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3del h GLU 248 CO -0.00 0.46 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.35 3del h LEU 249 N 0.67 0.90 -0.28 1.33 3.38 -0.87 -1.35 115.31 119.10 3del h LEU 249 Ca 0.18 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3del h LEU 249 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3del h LEU 249 CO -0.04 0.99 0.16 -0.33 0.09 0.00 0.00 178.44 179.31 3del h GLU 250 N 0.84 0.32 0.14 1.13 5.08 -1.12 -1.79 114.58 119.17 3del h GLU 250 Ca 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3del h GLU 250 Cb 0.56 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3del h GLU 250 CO 0.03 0.21 -0.07 0.37 -1.00 0.00 0.00 179.01 178.56 3del h GLN 251 N 0.33 -0.18 -0.73 2.33 5.75 -1.28 -1.45 115.11 119.87 3del h GLN 251 Ca 0.11 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.66 3del h GLN 251 Cb 0.00 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 3del h GLN 251 CO -0.05 -0.05 0.45 -0.22 -2.65 0.00 0.00 178.83 176.31 3del h LYS 252 N -0.28 0.83 -0.07 1.69 3.64 -1.19 -2.29 116.57 118.91 3del h LYS 252 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3del h LYS 252 Cb 0.22 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3del h LYS 252 CO 0.03 0.55 0.00 0.91 -2.27 0.00 0.00 179.45 178.67 3del n TRP 253 N -4.68 0.07 -2.11 1.91 7.02 -0.68 -4.97 117.44 114.01 3del n TRP 253 Ca 0.09 -0.04 -0.11 0.00 -1.02 0.00 0.00 57.50 56.42 3del n TRP 253 Cb 0.12 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.00 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 1.18 0.06 0.30 6.99 0.00 -0.71 -4.81 105.19 108.20 3del n GLY 254 Ca 0.18 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.33 -2.57 0.99 4.07 -1.57 -1.32 115.31 115.24 3del h LEU 255 Ca -0.26 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3del h LEU 255 Cb 1.14 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3del h LEU 255 CO 0.32 0.24 0.08 0.78 -1.08 0.00 0.00 178.44 178.77 3del h ASN 256 N 0.39 0.00 -0.11 -0.43 -0.26 -1.92 -1.40 115.58 111.84 3del h ASN 256 Ca 0.11 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3del h ASN 256 Cb -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3del h ASN 256 CO -0.02 0.00 -0.06 0.59 -1.06 0.00 0.00 177.43 176.87 3del n ASN 257 N -2.93 2.75 -4.58 5.81 5.03 -0.50 -5.06 115.26 115.78 3del n ASN 257 Ca -0.03 -3.23 -0.52 0.00 0.87 0.00 0.00 54.58 51.68 3del n ASN 257 Cb 0.14 -0.50 -0.06 0.00 -1.02 0.00 0.00 39.78 38.35 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 -1.10 1.41 -0.09 3.41 7.94 -0.53 -4.92 117.00 123.12 3del n LEU 258 Ca 0.20 1.13 -0.11 0.00 -1.11 0.00 0.00 56.01 56.12 3del n LEU 258 Cb 0.76 -1.16 -0.15 0.00 0.53 0.00 0.00 43.42 43.39 3del n LEU 258 CO 0.07 -1.21 -1.07 -0.62 -1.11 0.00 0.00 177.39 173.44 3del n GLU 259 N 2.25 0.68 -3.81 1.96 1.02 -1.26 -4.79 120.64 116.69 3del n GLU 259 Ca 0.18 0.05 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 3del n GLU 259 Cb 0.19 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 3del n GLU 259 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3del s HIS 260 N -2.51 3.56 -0.02 -0.32 3.76 -1.26 -4.57 115.29 113.93 3del s HIS 260 Ca -0.11 -2.37 -0.21 0.00 -0.15 0.00 0.00 55.06 52.21 3del s HIS 260 Cb 0.07 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 30.66 3del s HIS 260 CO 0.81 -0.94 0.62 -1.01 -0.85 0.00 0.00 174.74 173.37 3del s HIS 261 N 1.14 3.66 -1.37 1.40 3.76 -0.07 -4.35 115.29 119.47 3del s HIS 261 Ca 0.07 1.21 -0.02 0.00 -0.15 0.00 0.00 55.06 56.17 3del s HIS 261 Cb -0.22 -2.65 -0.00 0.00 1.11 0.00 0.00 32.58 30.82 3del s HIS 261 CO -0.04 0.29 0.49 0.72 -0.85 0.00 0.00 174.74 175.35 3del n HIS 262 N 2.95 -1.71 0.29 1.40 8.25 -1.26 -4.25 115.22 120.89 3del n HIS 262 Ca -0.06 0.74 0.15 0.00 -0.26 0.00 0.00 57.72 58.29 3del n HIS 262 Cb 0.51 -3.83 0.87 0.00 1.12 0.00 0.00 29.99 28.66 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 -1.85 0.00 -2.30 4.41 6.17 -1.85 -3.26 115.15 116.48 3del h HIS 263 Ca -0.63 0.00 -0.63 0.00 0.71 0.00 0.00 60.37 59.82 3del h HIS 263 Cb 1.37 0.00 -0.40 0.00 2.52 0.00 0.00 27.41 30.91 3del h HIS 263 CO 0.47 0.05 -0.36 0.72 0.71 0.00 0.00 177.93 179.52 3del n HIS 264 N -3.63 3.58 0.76 5.26 8.25 -1.26 -5.10 115.22 123.07 3del n HIS 264 Ca -0.02 -3.85 0.09 0.00 -0.26 0.00 0.00 57.72 53.68 3del n HIS 264 Cb 0.15 -0.65 0.08 0.00 1.12 0.00 0.00 29.99 30.69 3del n HIS 264 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59