#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6i s VAL 38 N 0.00 3.12 -0.24 0.52 1.01 -1.26 -4.33 120.40 119.22 3d6i s VAL 38 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 3d6i s VAL 38 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3d6i s VAL 38 CO 0.00 0.35 0.14 -0.63 0.00 0.00 0.00 175.10 174.96 3d6i s ILE 39 N -0.96 5.16 -0.10 2.22 1.01 -0.27 -4.97 121.20 123.28 3d6i s ILE 39 Ca 0.16 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3d6i s ILE 39 Cb -0.11 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3d6i s ILE 39 CO 0.06 0.35 1.15 -0.70 0.00 0.00 0.00 174.94 175.80 3d6i s GLU 40 N 1.13 4.34 -0.15 2.79 2.12 -1.26 -1.18 118.70 126.48 3d6i s GLU 40 Ca 0.07 1.58 -0.22 0.00 0.36 0.00 0.00 54.97 56.75 3d6i s GLU 40 Cb -0.14 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 3d6i s GLU 40 CO 0.05 -0.48 0.68 0.42 -0.54 0.00 0.00 175.26 175.38 3d6i s ILE 41 N 2.50 5.01 0.00 -3.70 -1.09 0.08 -4.91 121.20 119.09 3d6i s ILE 41 Ca 0.53 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 3d6i s ILE 41 Cb -0.22 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 3d6i s ILE 41 CO 0.18 0.14 0.00 0.59 -1.23 0.00 0.00 174.94 174.62 3d6i n ASN 42 N 4.68 0.52 -3.74 3.58 5.03 -1.26 -4.54 115.26 119.53 3d6i n ASN 42 Ca -0.01 -0.39 -0.09 0.00 0.87 0.00 0.00 54.58 54.96 3d6i n ASN 42 Cb 0.50 0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 40.12 3d6i n ASN 42 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3d6i s ASP 43 N -0.99 -0.30 0.13 6.41 1.47 -1.26 -4.98 116.67 117.14 3d6i s ASP 43 Ca 0.00 -0.47 -0.13 0.00 1.18 0.00 0.00 52.55 53.13 3d6i s ASP 43 Cb 0.00 0.63 -0.04 0.00 -0.34 0.00 0.00 42.92 43.17 3d6i s ASP 43 CO 0.00 -1.13 1.50 1.56 0.68 0.00 0.00 175.17 177.78 3d6i h GLN 44 N 2.11 0.82 -0.75 2.11 4.20 -1.99 -1.53 115.11 120.09 3d6i h GLN 44 Ca -0.27 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.02 3d6i h GLN 44 Cb 1.27 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 3d6i h GLN 44 CO 0.33 1.00 0.26 0.93 -0.67 0.00 0.00 178.83 180.68 3d6i h GLU 45 N 0.62 1.15 -0.05 1.46 4.39 -1.99 -0.20 114.58 119.97 3d6i h GLU 45 Ca 0.08 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 3d6i h GLU 45 Cb 0.77 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3d6i h GLU 45 CO 0.06 0.96 0.03 0.37 -1.16 0.00 0.00 179.01 179.27 3d6i h GLN 46 N 1.11 0.07 -0.48 2.33 4.15 -1.95 -0.56 115.11 119.78 3d6i h GLN 46 Ca 0.25 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.73 3d6i h GLN 46 Cb 0.27 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 3d6i h GLN 46 CO -0.01 0.10 0.15 0.35 -1.93 0.00 0.00 178.83 177.49 3d6i h PHE 47 N 0.03 0.26 -0.24 3.99 3.57 -0.97 -1.11 116.94 122.46 3d6i h PHE 47 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3d6i h PHE 47 Cb 0.04 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3d6i h PHE 47 CO -0.06 0.07 0.07 1.15 -2.23 0.00 0.00 178.31 177.31 3d6i h THR 48 N 0.31 1.20 -0.54 4.41 2.02 -0.87 -2.22 112.91 117.22 3d6i h THR 48 Ca 0.24 -0.63 0.10 0.00 0.77 0.00 0.00 66.41 66.88 3d6i h THR 48 Cb 0.27 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 3d6i h THR 48 CO -0.26 0.20 0.09 0.22 0.37 0.00 0.00 175.52 176.14 3d6i h TYR 49 N 0.22 0.14 0.00 3.16 3.20 -0.87 -1.61 116.97 121.21 3d6i h TYR 49 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3d6i h TYR 49 Cb 0.24 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3d6i h TYR 49 CO 0.00 -0.04 0.00 -0.07 -1.64 0.00 0.00 178.16 176.42 3d6i h LEU 50 N 0.22 0.00 -0.99 2.82 3.38 -1.00 0.39 115.31 120.13 3d6i h LEU 50 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3d6i h LEU 50 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3d6i h LEU 50 CO -0.37 0.00 -0.31 0.35 0.09 0.00 0.00 178.44 178.19 3d6i n THR 51 N -2.66 0.00 0.00 0.22 -2.24 -0.85 -4.07 114.28 104.67 3d6i n THR 51 Ca 0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3d6i n THR 51 Cb 0.38 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3d6i n THR 51 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d6i n THR 52 N 0.02 0.00 -0.33 4.28 -2.24 -0.65 -4.74 114.28 110.63 3d6i n THR 52 Ca 0.07 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.11 3d6i n THR 52 Cb 0.37 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.09 3d6i n THR 52 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3d6i h THR 53 N 0.00 0.17 -0.29 4.28 2.02 -1.70 -1.67 112.91 115.72 3d6i h THR 53 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3d6i h THR 53 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 3d6i h THR 53 CO 0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.92 3d6i n ALA 54 N -2.36 2.32 0.08 6.16 0.00 0.12 -4.63 120.51 122.19 3d6i n ALA 54 Ca 0.33 -0.98 0.02 0.00 0.00 0.00 0.00 53.44 52.81 3d6i n ALA 54 Cb 1.06 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 3d6i n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d6i h ALA 55 N 2.75 0.65 -0.83 0.00 0.00 -1.44 -3.48 119.26 116.90 3d6i h ALA 55 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3d6i h ALA 55 Cb 0.73 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3d6i h ALA 55 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.37 3d6i n GLY 56 N 1.31 2.95 1.04 0.00 0.00 -1.26 -1.91 105.19 107.32 3d6i n GLY 56 Ca -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.73 3d6i n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d6i n ASP 57 N 1.73 3.26 -4.78 1.61 5.68 -1.26 -4.71 116.55 118.08 3d6i n ASP 57 Ca 0.00 -3.36 -0.35 0.00 -0.50 0.00 0.00 54.79 50.58 3d6i n ASP 57 Cb 0.00 -0.59 -0.00 0.00 -1.14 0.00 0.00 41.12 39.38 3d6i n ASP 57 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3d6i s LYS 58 N -3.03 3.43 0.23 0.11 1.02 -0.80 -4.78 119.74 115.92 3d6i s LYS 58 Ca 0.44 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.69 3d6i s LYS 58 Cb 0.37 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.57 3d6i s LYS 58 CO 0.05 -0.78 1.34 -0.51 -0.92 0.00 0.00 175.35 174.53 3d6i s LEU 59 N -3.76 4.41 -0.13 3.17 1.43 -1.26 -4.49 118.68 118.05 3d6i s LEU 59 Ca 0.72 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.34 3d6i s LEU 59 Cb -0.23 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3d6i s LEU 59 CO 0.26 -0.56 -0.21 -0.63 0.23 0.00 0.00 176.35 175.44 3d6i s ILE 60 N -0.12 2.24 -0.19 -0.59 1.01 -0.18 -1.13 121.20 122.25 3d6i s ILE 60 Ca 0.56 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3d6i s ILE 60 Cb -0.38 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3d6i s ILE 60 CO 0.41 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 175.08 3d6i s VAL 61 N 0.65 2.70 -0.17 2.92 1.01 0.64 -0.27 120.40 127.87 3d6i s VAL 61 Ca -0.10 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3d6i s VAL 61 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3d6i s VAL 61 CO 0.02 0.49 0.11 -0.76 0.00 0.00 0.00 175.10 174.96 3d6i s LEU 62 N 1.20 4.13 -0.28 3.92 1.43 0.71 -0.87 118.68 128.93 3d6i s LEU 62 Ca 0.02 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3d6i s LEU 62 Cb -0.14 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.11 3d6i s LEU 62 CO -0.06 0.25 -0.04 -0.47 0.23 0.00 0.00 176.35 176.27 3d6i s TYR 63 N -0.10 3.06 -0.07 0.29 5.04 -0.12 -1.61 117.35 123.83 3d6i s TYR 63 Ca 0.09 -2.30 -0.19 0.00 -2.44 0.00 0.00 57.07 52.23 3d6i s TYR 63 Cb -0.12 -2.07 -0.05 0.00 0.35 0.00 0.00 41.96 40.08 3d6i s TYR 63 CO 0.00 -0.87 0.53 -0.06 -1.34 0.00 0.00 175.55 173.81 3d6i s PHE 64 N 1.16 3.58 0.30 4.97 0.40 -0.14 -0.35 117.98 127.91 3d6i s PHE 64 Ca -0.02 1.02 -0.12 0.00 -0.60 0.00 0.00 56.93 57.21 3d6i s PHE 64 Cb -0.19 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 40.78 3d6i s PHE 64 CO -0.07 0.25 0.58 -3.38 0.70 0.00 0.00 175.22 173.30 3d6i s HIS 65 N 0.29 0.40 0.20 0.36 -3.43 -0.69 -1.86 115.29 110.55 3d6i s HIS 65 Ca 0.28 -0.81 0.09 0.00 -0.80 0.00 0.00 55.06 53.82 3d6i s HIS 65 Cb -0.16 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 31.28 3d6i s HIS 65 CO 0.13 -1.19 -0.17 0.95 -2.00 0.00 0.00 174.74 172.46 3d6i s THR 66 N -3.41 1.89 -2.26 -5.38 -4.23 -1.26 -0.39 115.64 100.61 3d6i s THR 66 Ca 0.21 -2.09 0.21 0.00 -1.18 0.00 0.00 61.69 58.84 3d6i s THR 66 Cb -0.02 -1.98 0.48 0.00 1.34 0.00 0.00 72.50 72.32 3d6i s THR 66 CO 0.12 -0.43 1.60 -1.54 -0.54 0.00 0.00 174.62 173.84 3d6i n SER 67 N -0.08 1.40 -3.85 3.99 3.41 -1.26 -4.47 113.62 112.76 3d6i n SER 67 Ca -0.10 -1.64 -0.29 0.00 -0.26 0.00 0.00 58.87 56.59 3d6i n SER 67 Cb 0.59 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 3d6i n SER 67 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3d6i s TRP 68 N -1.84 3.05 0.00 7.33 -2.14 -1.26 -4.88 118.94 119.20 3d6i s TRP 68 Ca 0.33 -3.10 0.00 0.00 2.66 0.00 0.00 56.10 55.99 3d6i s TRP 68 Cb 0.17 -2.48 0.00 0.00 -3.10 0.00 0.00 33.47 28.06 3d6i s TRP 68 CO 0.27 -0.65 0.00 -2.30 -2.66 0.00 0.00 176.95 171.60 3d6i n PRO 71 N 2.55 0.00 0.15 3.25 -0.02 -1.26 -4.77 135.00 134.91 3d6i n PRO 71 Ca 0.15 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.65 3d6i n PRO 71 Cb 0.35 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.02 3d6i n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d6i h LYS 73 N 0.00 0.15 -0.72 0.00 3.64 -1.86 -2.23 116.57 115.55 3d6i h LYS 73 Ca -0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3d6i h LYS 73 Cb 1.14 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 3d6i h LYS 73 CO 0.07 0.22 0.45 0.00 -2.27 0.00 0.00 179.45 177.92 3d6i h ALA 74 N 0.93 0.94 -0.38 5.00 0.00 -1.98 -2.48 119.26 121.29 3d6i h ALA 74 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3d6i h ALA 74 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d6i h ALA 74 CO -0.00 0.24 -0.15 -0.07 0.00 0.00 0.00 179.25 179.27 3d6i h LEU 75 N 0.89 0.68 -1.11 0.00 3.38 -1.52 -2.32 115.31 115.30 3d6i h LEU 75 Ca 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3d6i h LEU 75 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3d6i h LEU 75 CO -0.11 0.84 0.23 0.50 0.09 0.00 0.00 178.44 179.99 3d6i h LYS 76 N 0.62 0.86 -0.74 1.13 1.63 -1.09 -0.48 116.57 118.50 3d6i h LYS 76 Ca 0.10 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3d6i h LYS 76 Cb 0.60 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 3d6i h LYS 76 CO 0.04 0.71 0.38 1.96 -3.45 0.00 0.00 179.45 179.08 3d6i h GLN 77 N 0.85 1.05 -0.38 1.90 4.20 -0.98 -0.04 115.11 121.71 3d6i h GLN 77 Ca 0.20 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3d6i h GLN 77 Cb 0.17 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3d6i h GLN 77 CO -0.02 0.81 0.15 0.28 -0.67 0.00 0.00 178.83 179.38 3d6i h VAL 78 N 1.03 1.19 -0.51 -0.54 2.07 -1.07 -0.80 116.25 117.62 3d6i h VAL 78 Ca 0.26 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.25 3d6i h VAL 78 Cb 0.09 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3d6i h VAL 78 CO -0.04 0.22 0.17 0.15 0.02 0.00 0.00 177.57 178.09 3d6i h PHE 79 N 0.47 0.29 -0.62 1.57 3.57 -0.74 -0.07 116.94 121.41 3d6i h PHE 79 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3d6i h PHE 79 Cb 0.19 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3d6i h PHE 79 CO -0.00 0.08 0.38 1.49 -2.23 0.00 0.00 178.31 178.02 3d6i h GLU 80 N 0.34 0.84 -0.49 1.11 4.81 -0.86 -0.37 114.58 119.95 3d6i h GLU 80 Ca 0.25 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3d6i h GLU 80 Cb 0.29 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3d6i h GLU 80 CO -0.27 0.60 0.26 0.00 -0.73 0.00 0.00 179.01 178.87 3d6i h ALA 81 N 1.19 0.63 -0.98 2.92 0.00 -0.53 -1.25 119.26 121.24 3d6i h ALA 81 Ca 0.22 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3d6i h ALA 81 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3d6i h ALA 81 CO -0.04 0.17 0.65 0.82 0.00 0.00 0.00 179.25 180.84 3d6i h ILE 82 N 0.66 1.24 0.00 0.00 2.04 -0.83 -1.56 117.51 119.06 3d6i h ILE 82 Ca 0.17 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3d6i h ILE 82 Cb 0.07 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 35.95 3d6i h ILE 82 CO -0.03 0.24 -0.04 0.77 0.00 0.00 0.00 178.15 179.09 3d6i h SER 83 N 1.31 0.00 0.46 1.72 4.64 -0.12 -2.44 113.55 119.12 3d6i h SER 83 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3d6i h SER 83 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3d6i h SER 83 CO -0.09 0.04 -0.42 0.59 -0.87 0.00 0.00 176.83 176.09 3d6i n ASN 84 N -3.42 0.60 -4.71 4.97 3.02 -0.57 -0.25 115.26 114.90 3d6i n ASN 84 Ca -0.02 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.74 3d6i n ASN 84 Cb 0.16 0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 3d6i n ASN 84 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3d6i s GLU 85 N -2.87 4.14 0.34 3.52 0.41 -0.92 -4.77 118.70 118.54 3d6i s GLU 85 Ca 0.15 2.57 0.10 0.00 -0.41 0.00 0.00 54.97 57.37 3d6i s GLU 85 Cb 0.18 -3.20 0.85 0.00 -1.78 0.00 0.00 34.13 30.19 3d6i s GLU 85 CO 0.65 -0.75 1.79 -1.35 -0.49 0.00 0.00 175.26 175.11 3d6i h PRO 86 N 7.19 0.63 0.00 0.39 0.10 -1.91 0.55 132.00 138.95 3d6i h PRO 86 Ca -0.44 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.63 3d6i h PRO 86 Cb 1.20 -0.14 0.00 0.00 0.10 0.00 0.00 31.00 32.16 3d6i h PRO 86 CO 0.95 0.42 0.00 -1.13 0.10 0.00 0.00 178.00 178.34 3d6i n SER 87 N -4.70 0.00 -1.50 -2.05 3.41 -1.26 -1.61 113.62 105.91 3d6i n SER 87 Ca 0.23 0.23 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 3d6i n SER 87 Cb 0.64 -0.36 0.34 0.00 -0.26 0.00 0.00 64.21 64.57 3d6i n SER 87 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d6i n ASN 88 N -1.36 4.69 0.29 4.04 3.02 0.18 -4.70 115.26 121.42 3d6i n ASN 88 Ca 0.05 -2.52 0.17 0.00 -0.03 0.00 0.00 54.58 52.26 3d6i n ASN 88 Cb 0.13 -0.57 0.81 0.00 -0.61 0.00 0.00 39.78 39.54 3d6i n ASN 88 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3d6i h SER 89 N 3.76 0.00 -0.56 6.41 4.64 -1.32 -1.62 113.55 124.85 3d6i h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d6i h SER 89 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3d6i h SER 89 CO 0.24 0.05 0.00 -3.20 -0.87 0.00 0.00 176.83 173.05 3d6i n ASN 90 N -3.24 3.06 -4.58 4.97 5.15 -1.26 -4.89 115.26 114.47 3d6i n ASN 90 Ca -0.01 -1.99 -0.34 0.00 -0.60 0.00 0.00 54.58 51.64 3d6i n ASN 90 Cb 0.24 -0.37 -0.11 0.00 -0.53 0.00 0.00 39.78 39.01 3d6i n ASN 90 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d6i s VAL 91 N -1.26 3.67 -0.20 3.44 1.01 -0.61 -4.42 120.40 122.04 3d6i s VAL 91 Ca 0.38 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3d6i s VAL 91 Cb 0.20 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3d6i s VAL 91 CO 0.26 0.57 0.23 -0.55 0.00 0.00 0.00 175.10 175.62 3d6i s SER 92 N -0.88 6.28 -0.20 3.32 0.15 -0.28 -4.96 113.70 117.12 3d6i s SER 92 Ca 0.13 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 3d6i s SER 92 Cb -0.11 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 3d6i s SER 92 CO 0.02 0.07 -0.12 -0.36 1.20 0.00 0.00 173.24 174.05 3d6i s PHE 93 N 0.82 2.87 -0.16 3.44 0.08 -1.26 -0.26 117.98 123.51 3d6i s PHE 93 Ca 0.12 -1.23 0.02 0.00 0.12 0.00 0.00 56.93 55.95 3d6i s PHE 93 Cb -0.13 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3d6i s PHE 93 CO 0.04 -0.64 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.80 3d6i s LEU 94 N 1.33 2.15 -0.11 -0.37 1.43 -0.05 -1.11 118.68 121.95 3d6i s LEU 94 Ca 0.04 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 3d6i s LEU 94 Cb -0.14 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3d6i s LEU 94 CO -0.07 0.05 0.19 -0.94 0.23 0.00 0.00 176.35 175.81 3d6i s SER 95 N 1.01 6.45 -0.26 2.29 1.04 -0.33 -0.95 113.70 122.96 3d6i s SER 95 Ca -0.02 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 3d6i s SER 95 Cb -0.15 -2.11 0.08 0.00 0.10 0.00 0.00 66.02 63.95 3d6i s SER 95 CO -0.06 0.37 0.07 -0.63 0.98 0.00 0.00 173.24 173.97 3d6i s ILE 96 N -0.89 0.62 -0.11 -1.02 1.01 0.53 -0.74 121.20 120.60 3d6i s ILE 96 Ca 0.16 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 3d6i s ILE 96 Cb -0.13 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3d6i s ILE 96 CO 0.05 -0.48 1.72 -0.62 0.00 0.00 0.00 174.94 175.62 3d6i s ASP 97 N 1.78 6.46 0.40 3.58 -1.08 -1.26 -1.70 116.67 124.84 3d6i s ASP 97 Ca 0.05 2.06 0.19 0.00 -0.52 0.00 0.00 52.55 54.33 3d6i s ASP 97 Cb -0.17 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.57 3d6i s ASP 97 CO -0.19 -1.13 1.81 0.00 0.52 0.00 0.00 175.17 176.18 3d6i h ALA 98 N 10.47 1.12 0.10 3.66 0.00 -1.04 -1.65 119.26 131.91 3d6i h ALA 98 Ca -0.39 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 53.95 3d6i h ALA 98 Cb 1.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3d6i h ALA 98 CO 0.97 0.42 -1.16 0.22 0.00 0.00 0.00 179.25 179.70 3d6i h ASP 99 N 0.00 0.49 1.37 0.00 3.58 -1.89 -3.28 116.42 116.68 3d6i h ASP 99 Ca -0.00 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.97 3d6i h ASP 99 Cb 0.76 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.65 3d6i h ASP 99 CO 0.04 1.34 -0.19 -0.33 -2.88 0.00 0.00 179.24 177.22 3d6i h GLU 100 N 0.13 0.00 -2.17 0.28 5.08 -1.87 -3.37 114.58 112.66 3d6i h GLU 100 Ca -0.13 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.66 3d6i h GLU 100 Cb 1.86 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.69 3d6i h GLU 100 CO 0.20 0.00 -0.78 0.09 -1.00 0.00 0.00 179.01 177.51 3d6i n ASN 101 N -2.34 3.05 -0.18 1.42 3.02 -0.65 -4.95 115.26 114.63 3d6i n ASN 101 Ca 0.05 -3.36 -0.05 0.00 -0.03 0.00 0.00 54.58 51.19 3d6i n ASN 101 Cb 0.45 -0.62 0.04 0.00 -0.61 0.00 0.00 39.78 39.05 3d6i n ASN 101 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3d6i h SER 102 N 3.51 0.50 -0.63 6.41 0.02 -1.74 -1.75 113.55 119.86 3d6i h SER 102 Ca 0.14 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 3d6i h SER 102 Cb 0.68 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3d6i h SER 102 CO 0.72 0.35 0.05 -0.33 -1.14 0.00 0.00 176.83 176.48 3d6i h GLU 103 N 0.62 1.09 -0.38 3.45 4.39 -1.92 -0.13 114.58 121.69 3d6i h GLU 103 Ca 0.22 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 3d6i h GLU 103 Cb 0.04 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3d6i h GLU 103 CO -0.11 1.03 -0.06 0.82 -1.16 0.00 0.00 179.01 179.53 3d6i h ILE 104 N 1.00 1.27 -0.62 3.13 2.04 -1.89 -0.73 117.51 121.71 3d6i h ILE 104 Ca 0.19 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.96 3d6i h ILE 104 Cb 0.51 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3d6i h ILE 104 CO 0.02 0.37 0.37 0.28 0.00 0.00 0.00 178.15 179.19 3d6i h SER 105 N 0.52 0.58 -0.26 1.72 0.02 -1.06 -2.15 113.55 112.93 3d6i h SER 105 Ca 0.10 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3d6i h SER 105 Cb 0.56 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3d6i h SER 105 CO 0.03 0.40 0.15 -0.08 -1.14 0.00 0.00 176.83 176.19 3d6i h GLU 106 N 0.71 0.30 -0.95 3.45 4.81 -0.82 -0.24 114.58 121.84 3d6i h GLU 106 Ca 0.26 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.61 3d6i h GLU 106 Cb 0.07 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 3d6i h GLU 106 CO -0.13 0.20 0.57 1.25 -0.73 0.00 0.00 179.01 180.17 3d6i h LEU 107 N 0.31 0.79 -1.82 1.64 5.85 -0.72 -1.05 115.31 120.31 3d6i h LEU 107 Ca 0.10 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3d6i h LEU 107 Cb -0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3d6i h LEU 107 CO -0.05 0.39 0.00 0.49 -0.34 0.00 0.00 178.44 178.93 3d6i n PHE 108 N -4.71 0.43 -3.72 1.25 3.72 -0.85 -4.95 117.46 108.63 3d6i n PHE 108 Ca 0.19 -0.22 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 3d6i n PHE 108 Cb 0.40 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.98 3d6i n PHE 108 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3d6i n GLU 109 N 1.00 -5.65 -2.31 -1.08 1.02 -0.24 -4.90 120.64 108.47 3d6i n GLU 109 Ca 0.18 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.56 3d6i n GLU 109 Cb 0.48 -5.43 -0.03 0.00 -0.02 0.00 0.00 31.44 26.44 3d6i n GLU 109 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3d6i s ILE 110 N -3.49 4.02 0.00 -3.67 -1.09 -0.40 -4.87 121.20 111.71 3d6i s ILE 110 Ca 0.26 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 3d6i s ILE 110 Cb -0.13 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3d6i s ILE 110 CO 0.80 -0.07 0.49 -1.54 -1.23 0.00 0.00 174.94 173.40 3d6i n SER 111 N 6.12 0.98 -3.55 3.58 3.41 -1.26 -4.87 113.62 118.04 3d6i n SER 111 Ca 0.14 -1.05 -0.17 0.00 -0.26 0.00 0.00 58.87 57.53 3d6i n SER 111 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 3d6i n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d6i s ALA 112 N -0.05 -1.78 0.10 7.33 0.00 -1.26 -5.17 121.76 120.93 3d6i s ALA 112 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 51.96 53.48 3d6i s ALA 112 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3d6i s ALA 112 CO 0.00 -0.36 -0.12 0.14 0.00 0.00 0.00 175.76 175.42 3d6i s VAL 113 N -0.87 1.10 0.58 0.00 -7.23 -1.26 -4.32 120.40 108.40 3d6i s VAL 113 Ca -0.08 -1.58 -0.17 0.00 -1.81 0.00 0.00 61.98 58.34 3d6i s VAL 113 Cb -0.01 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 3d6i s VAL 113 CO 0.08 -0.43 1.07 -2.16 -0.31 0.00 0.00 175.10 173.34 3d6i s PRO 114 N -2.49 3.33 -0.06 4.82 0.04 -1.26 -5.00 135.00 134.39 3d6i s PRO 114 Ca 0.05 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 3d6i s PRO 114 Cb -0.05 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3d6i s PRO 114 CO 0.02 -0.81 0.16 -0.47 0.04 0.00 0.00 177.00 175.93 3d6i s TYR 115 N -2.29 -0.18 -0.09 0.56 5.04 -0.78 -3.26 117.35 116.36 3d6i s TYR 115 Ca 0.66 0.45 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 3d6i s TYR 115 Cb -0.17 0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.15 3d6i s TYR 115 CO 0.34 -0.10 -0.10 -0.06 -1.34 0.00 0.00 175.55 174.28 3d6i s PHE 116 N 0.30 2.85 -0.09 4.97 0.08 -0.13 -0.96 117.98 124.99 3d6i s PHE 116 Ca -0.02 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 56.78 3d6i s PHE 116 Cb -0.03 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3d6i s PHE 116 CO -0.01 0.09 -0.09 0.42 -0.10 0.00 0.00 175.22 175.53 3d6i s ILE 117 N -0.30 1.06 -0.20 0.64 1.01 -0.63 -0.91 121.20 121.86 3d6i s ILE 117 Ca 0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3d6i s ILE 117 Cb -0.13 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3d6i s ILE 117 CO 0.03 0.36 0.06 -0.63 0.00 0.00 0.00 174.94 174.75 3d6i s ILE 118 N 1.29 4.58 0.03 2.92 1.01 0.47 -0.20 121.20 131.28 3d6i s ILE 118 Ca -0.03 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.60 3d6i s ILE 118 Cb -0.14 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3d6i s ILE 118 CO -0.04 0.42 -0.24 -0.63 0.00 0.00 0.00 174.94 174.45 3d6i s ILE 119 N 0.76 2.28 -0.22 2.92 1.01 0.62 -0.19 121.20 128.38 3d6i s ILE 119 Ca 0.03 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.28 3d6i s ILE 119 Cb -0.13 -1.88 0.07 0.00 0.01 0.00 0.00 42.46 40.52 3d6i s ILE 119 CO 0.02 0.42 0.53 -2.28 0.00 0.00 0.00 174.94 173.63 3d6i s HIS 120 N -0.78 -0.78 -1.52 3.97 2.46 -0.18 -1.01 115.29 117.45 3d6i s HIS 120 Ca 0.12 1.63 -0.11 0.00 0.47 0.00 0.00 55.06 57.18 3d6i s HIS 120 Cb -0.10 0.40 0.08 0.00 -0.13 0.00 0.00 32.58 32.82 3d6i s HIS 120 CO 0.02 -0.41 0.82 1.63 -2.47 0.00 0.00 174.74 174.33 3d6i n LYS 121 N 4.08 -4.62 -0.71 2.88 5.02 -1.26 -2.54 118.16 121.01 3d6i n LYS 121 Ca -0.21 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 3d6i n LYS 121 Cb 0.57 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 3d6i n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d6i n GLY 122 N -1.65 0.79 3.18 0.72 0.00 -1.26 -5.02 105.19 101.95 3d6i n GLY 122 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3d6i n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d6i s THR 123 N -3.00 0.70 -0.16 2.61 -4.23 -1.05 -5.12 115.64 105.39 3d6i s THR 123 Ca 0.00 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.27 3d6i s THR 123 Cb 0.00 -1.75 -0.00 0.00 1.34 0.00 0.00 72.50 72.08 3d6i s THR 123 CO 0.00 -0.81 1.03 -0.63 -0.54 0.00 0.00 174.62 173.67 3d6i s ILE 124 N -3.62 4.72 -0.13 2.99 1.01 -1.26 -1.01 121.20 123.90 3d6i s ILE 124 Ca 0.14 2.03 -0.13 0.00 0.00 0.00 0.00 60.65 62.69 3d6i s ILE 124 Cb 0.05 -4.30 -0.25 0.00 0.01 0.00 0.00 42.46 37.97 3d6i s ILE 124 CO -0.03 -0.08 0.39 0.25 0.00 0.00 0.00 174.94 175.47 3d6i h LEU 125 N 8.64 0.32 -7.08 2.97 5.85 -0.90 -3.48 115.31 121.64 3d6i h LEU 125 Ca -0.26 -0.83 -0.06 0.00 0.84 0.00 0.00 57.88 57.57 3d6i h LEU 125 Cb 1.11 -0.10 -0.22 0.00 0.37 0.00 0.00 40.66 41.82 3d6i h LEU 125 CO 0.91 1.72 0.04 -0.75 -0.34 0.00 0.00 178.44 180.02 3d6i s LYS 126 N -2.50 0.77 0.04 1.25 2.47 -1.04 -5.01 119.74 115.73 3d6i s LYS 126 Ca -0.23 0.83 0.08 0.00 -1.56 0.00 0.00 55.97 55.10 3d6i s LYS 126 Cb 0.06 0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 36.77 3d6i s LYS 126 CO 0.73 -0.11 -0.24 -1.21 0.16 0.00 0.00 175.35 174.69 3d6i s GLU 127 N 0.21 1.91 -0.08 4.03 2.02 -1.26 -0.40 118.70 125.13 3d6i s GLU 127 Ca -0.01 -1.05 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 3d6i s GLU 127 Cb -0.04 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.18 3d6i s GLU 127 CO 0.02 0.53 0.17 -1.17 0.02 0.00 0.00 175.26 174.83 3d6i s LEU 128 N -1.25 0.63 0.00 1.80 2.96 -0.09 -5.01 118.68 117.73 3d6i s LEU 128 Ca 0.12 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3d6i s LEU 128 Cb -0.10 0.47 -0.14 0.00 0.50 0.00 0.00 46.19 46.92 3d6i s LEU 128 CO 0.03 -0.15 2.24 -1.20 -1.32 0.00 0.00 176.35 175.94 3d6i n SER 129 N 4.21 3.37 0.00 3.68 7.64 -1.26 -0.95 113.62 130.31 3d6i n SER 129 Ca -0.26 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.54 3d6i n SER 129 Cb 0.52 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 3d6i n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d6i n GLY 130 N 2.46 0.00 0.00 0.23 0.00 -1.20 -4.78 105.19 101.90 3d6i n GLY 130 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3d6i n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d6i n ALA 131 N 0.60 0.00 -3.65 4.61 0.00 -1.26 -4.01 120.51 116.80 3d6i n ALA 131 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3d6i n ALA 131 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3d6i n ALA 131 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d6i s ASP 132 N 0.00 4.95 0.31 0.00 -1.08 -1.26 -5.00 116.67 114.59 3d6i s ASP 132 Ca 0.00 -1.38 0.02 0.00 -0.52 0.00 0.00 52.55 50.67 3d6i s ASP 132 Cb 0.00 -1.73 0.58 0.00 -1.46 0.00 0.00 42.92 40.31 3d6i s ASP 132 CO 0.00 -0.30 1.91 -0.65 0.52 0.00 0.00 175.17 176.65 3d6i h PRO 133 N 8.00 0.93 -0.47 4.34 0.11 -2.00 -1.49 132.00 141.43 3d6i h PRO 133 Ca -0.20 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3d6i h PRO 133 Cb 1.06 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3d6i h PRO 133 CO 0.55 0.62 0.24 -0.22 -0.21 0.00 0.00 178.00 178.98 3d6i h LYS 134 N 0.96 0.67 -0.77 1.05 3.64 -1.99 0.04 116.57 120.17 3d6i h LYS 134 Ca 0.39 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3d6i h LYS 134 Cb 0.27 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3d6i h LYS 134 CO -0.15 0.56 0.27 1.49 -2.27 0.00 0.00 179.45 179.34 3d6i h GLU 135 N 0.62 1.18 -0.02 1.90 4.81 -1.89 -1.30 114.58 119.87 3d6i h GLU 135 Ca 0.16 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3d6i h GLU 135 Cb 0.10 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3d6i h GLU 135 CO -0.02 0.98 0.00 -0.92 -0.73 0.00 0.00 179.01 178.32 3d6i h TYR 136 N 1.13 0.03 -0.86 0.92 3.20 -0.92 -1.49 116.97 118.99 3d6i h TYR 136 Ca 0.25 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3d6i h TYR 136 Cb 0.27 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 3d6i h TYR 136 CO 0.02 0.27 0.42 0.28 -1.64 0.00 0.00 178.16 177.51 3d6i h VAL 137 N -0.21 1.26 -0.20 1.81 2.07 -0.91 0.34 116.25 120.40 3d6i h VAL 137 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3d6i h VAL 137 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3d6i h VAL 137 CO 0.00 0.31 0.13 -1.28 0.02 0.00 0.00 177.57 176.75 3d6i h SER 138 N 1.22 0.23 -0.29 0.57 0.87 -1.12 -0.38 113.55 114.66 3d6i h SER 138 Ca 0.30 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3d6i h SER 138 Cb 0.11 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3d6i h SER 138 CO -0.04 0.17 0.01 0.25 -0.53 0.00 0.00 176.83 176.69 3d6i h LEU 139 N 0.27 0.49 -0.75 2.23 5.85 -1.04 -1.96 115.31 120.40 3d6i h LEU 139 Ca 0.07 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3d6i h LEU 139 Cb -0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3d6i h LEU 139 CO -0.02 0.67 0.46 0.25 -0.34 0.00 0.00 178.44 179.47 3d6i h LEU 140 N 0.29 0.74 -0.68 2.25 5.85 -0.65 -2.44 115.31 120.67 3d6i h LEU 140 Ca 0.08 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 3d6i h LEU 140 Cb 0.41 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3d6i h LEU 140 CO 0.01 0.50 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.16 3d6i h GLU 141 N 0.88 0.88 -0.74 1.25 4.39 -0.98 0.16 114.58 120.42 3d6i h GLU 141 Ca 0.31 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3d6i h GLU 141 Cb 0.07 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3d6i h GLU 141 CO -0.13 0.96 0.00 -0.25 -1.16 0.00 0.00 179.01 178.43 3d6i n ASP 142 N -4.14 0.32 0.00 1.42 8.00 -0.75 -1.73 116.55 119.67 3d6i n ASP 142 Ca 0.01 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.13 3d6i n ASP 142 Cb 0.39 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3d6i n ASP 142 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3d6i n LYS 144 N 0.58 0.00 -0.14 -1.24 5.02 0.04 -0.86 118.16 121.56 3d6i n LYS 144 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3d6i n LYS 144 Cb 0.06 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.17 3d6i n LYS 144 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3d6i h ASN 145 N 0.00 0.88 0.00 4.39 -0.73 -1.58 -2.73 115.58 115.81 3d6i h ASN 145 Ca 0.00 -0.25 -0.11 0.00 1.87 0.00 0.00 56.30 57.81 3d6i h ASN 145 Cb 0.00 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.34 3d6i h ASN 145 CO 0.00 0.97 -0.32 0.28 -0.37 0.00 0.00 177.43 177.99 3d6i h SER 146 N 0.82 0.46 0.81 1.15 0.02 -1.27 -3.10 113.55 112.44 3d6i h SER 146 Ca 0.14 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3d6i h SER 146 Cb 0.56 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3d6i h SER 146 CO 0.03 0.76 -0.63 1.33 -1.14 0.00 0.00 176.83 177.18 3d6i n VAL 147 N -4.08 0.30 1.59 2.27 0.24 -1.19 -5.24 118.33 112.22 3d6i n VAL 147 Ca -0.01 -0.24 0.13 0.00 -2.04 0.00 0.00 64.34 62.18 3d6i n VAL 147 Cb 0.44 -0.08 0.75 0.00 -1.47 0.00 0.00 33.84 33.49 3d6i n VAL 147 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28