#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 3.27 -0.23 -1.45 1.01 -1.26 -4.40 120.40 117.34 3d6i s VAL 38 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3d6i s VAL 38 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3d6i s VAL 38 CO 0.00 0.43 0.05 -0.63 0.00 0.00 0.00 175.10 174.95 3d6i s ILE 39 N -0.91 4.20 -0.20 2.22 1.01 -0.30 -4.99 121.20 122.23 3d6i s ILE 39 Ca 0.15 -0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.33 3d6i s ILE 39 Cb -0.11 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3d6i s ILE 39 CO 0.05 0.37 0.86 -1.61 0.00 0.00 0.00 174.94 174.62 3d6i s GLU 40 N 1.39 4.26 -0.07 2.79 2.02 -1.26 -0.92 118.70 126.91 3d6i s GLU 40 Ca 0.05 1.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.83 3d6i s GLU 40 Cb -0.15 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 3d6i s GLU 40 CO 0.03 -0.42 0.82 0.42 0.02 0.00 0.00 175.26 176.13 3d6i s ILE 41 N 2.48 4.95 0.00 -1.63 -1.09 0.15 -4.92 121.20 121.15 3d6i s ILE 41 Ca 0.38 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 3d6i s ILE 41 Cb -0.16 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 3d6i s ILE 41 CO 0.10 0.17 0.20 0.59 -1.23 0.00 0.00 174.94 174.77 3d6i n ASN 42 N 4.14 0.39 -3.69 3.58 3.02 -1.26 -4.54 115.26 116.90 3d6i n ASN 42 Ca 0.02 -0.72 -0.14 0.00 -0.03 0.00 0.00 54.58 53.71 3d6i n ASN 42 Cb 0.51 0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.88 3d6i n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3d6i s ASP 43 N -0.29 -0.43 0.18 6.41 2.15 -1.26 -5.00 116.67 118.43 3d6i s ASP 43 Ca 0.00 0.64 -0.13 0.00 0.43 0.00 0.00 52.55 53.49 3d6i s ASP 43 Cb 0.00 0.68 0.09 0.00 -0.30 0.00 0.00 42.92 43.39 3d6i s ASP 43 CO 0.00 -0.34 1.84 1.56 -0.17 0.00 0.00 175.17 178.06 3d6i h GLN 44 N 4.46 0.73 -0.57 4.34 4.20 -1.99 -1.67 115.11 124.61 3d6i h GLN 44 Ca -0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 3d6i h GLN 44 Cb 1.17 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 3d6i h GLN 44 CO 0.30 0.48 0.32 0.93 -0.67 0.00 0.00 178.83 180.19 3d6i h GLU 45 N 0.76 0.78 -0.20 1.46 3.07 -1.99 -0.86 114.58 117.61 3d6i h GLU 45 Ca 0.21 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3d6i h GLU 45 Cb -0.07 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3d6i h GLU 45 CO -0.05 0.59 0.12 0.37 -1.40 0.00 0.00 179.01 178.64 3d6i h GLN 46 N 0.76 0.26 -0.36 2.33 4.15 -1.95 -0.37 115.11 119.94 3d6i h GLN 46 Ca 0.20 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.66 3d6i h GLN 46 Cb 0.03 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 3d6i h GLN 46 CO -0.03 0.21 -0.02 0.35 -1.93 0.00 0.00 178.83 177.41 3d6i h PHE 47 N 0.24 -0.05 -0.51 3.99 3.57 -1.05 -0.73 116.94 122.40 3d6i h PHE 47 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3d6i h PHE 47 Cb 0.01 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3d6i h PHE 47 CO -0.05 -0.09 0.28 1.15 -2.23 0.00 0.00 178.31 177.37 3d6i h THR 48 N 0.08 1.17 -0.18 4.41 2.02 -0.89 -1.67 112.91 117.85 3d6i h THR 48 Ca 0.18 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3d6i h THR 48 Cb 0.25 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3d6i h THR 48 CO -0.31 0.19 0.07 0.22 0.37 0.00 0.00 175.52 176.05 3d6i h TYR 49 N 0.68 0.12 0.00 3.16 3.20 -0.82 -1.35 116.97 121.96 3d6i h TYR 49 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3d6i h TYR 49 Cb 0.05 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 3d6i h TYR 49 CO -0.02 0.06 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.38 3d6i h LEU 50 N 0.16 0.00 -1.06 2.82 3.38 -0.86 -0.81 115.31 118.94 3d6i h LEU 50 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3d6i h LEU 50 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3d6i h LEU 50 CO -0.07 0.11 -0.44 0.35 0.09 0.00 0.00 178.44 178.48 3d6i n THR 51 N -3.26 0.00 0.00 0.22 -2.24 -0.65 -3.75 114.28 104.60 3d6i n THR 51 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3d6i n THR 51 Cb 0.37 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.07 0.00 -0.30 4.28 -2.24 -0.53 -4.48 114.28 111.08 3d6i n THR 52 Ca 0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3d6i n THR 52 Cb 0.47 -0.01 0.29 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.37 -0.60 4.28 2.02 -1.70 -0.56 112.91 116.72 3d6i h THR 53 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3d6i h THR 53 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3d6i h THR 53 CO 0.00 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.94 3d6i n ALA 54 N -2.64 2.34 0.22 6.16 0.00 -0.32 -4.50 120.51 121.77 3d6i n ALA 54 Ca 0.21 -1.22 0.11 0.00 0.00 0.00 0.00 53.44 52.54 3d6i n ALA 54 Cb 0.66 -0.81 0.28 0.00 0.00 0.00 0.00 19.45 19.58 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 3.86 0.94 -0.87 0.00 0.00 -1.18 -3.48 119.26 118.53 3d6i h ALA 55 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3d6i h ALA 55 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3d6i h ALA 55 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3d6i n GLY 56 N 0.80 2.98 0.37 0.00 0.00 -1.26 -1.76 105.19 106.31 3d6i n GLY 56 Ca 0.03 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 3.56 2.37 -4.78 1.61 5.75 -1.26 -4.90 116.55 118.90 3d6i n ASP 57 Ca 0.00 -3.33 -0.36 0.00 -0.01 0.00 0.00 54.79 51.09 3d6i n ASP 57 Cb 0.00 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 39.58 3d6i n ASP 57 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3d6i s LYS 58 N -2.99 3.93 0.29 0.11 1.02 -0.72 -4.90 119.74 116.47 3d6i s LYS 58 Ca 0.35 1.56 -0.29 0.00 0.02 0.00 0.00 55.97 57.61 3d6i s LYS 58 Cb 0.32 -2.38 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3d6i s LYS 58 CO 0.01 -0.36 1.28 -0.51 -0.92 0.00 0.00 175.35 174.86 3d6i s LEU 59 N -2.99 4.44 -0.14 3.17 1.43 -1.26 -4.52 118.68 118.82 3d6i s LEU 59 Ca 0.62 2.55 0.02 0.00 -1.03 0.00 0.00 54.13 56.30 3d6i s LEU 59 Cb -0.23 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.37 3d6i s LEU 59 CO 0.28 -0.48 -0.21 -0.63 0.23 0.00 0.00 176.35 175.53 3d6i s ILE 60 N -0.77 2.01 -0.21 -0.59 1.01 -0.16 -1.18 121.20 121.30 3d6i s ILE 60 Ca 0.51 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3d6i s ILE 60 Cb -0.38 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3d6i s ILE 60 CO 0.47 0.54 -0.01 -0.69 0.00 0.00 0.00 174.94 175.25 3d6i s VAL 61 N 0.84 3.82 -0.19 2.92 1.01 0.77 -0.64 120.40 128.93 3d6i s VAL 61 Ca -0.07 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 3d6i s VAL 61 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3d6i s VAL 61 CO -0.02 0.42 0.09 -0.76 0.00 0.00 0.00 175.10 174.82 3d6i s LEU 62 N 1.19 3.94 -0.29 3.92 1.43 0.64 -0.73 118.68 128.77 3d6i s LEU 62 Ca 0.03 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3d6i s LEU 62 Cb -0.15 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.12 3d6i s LEU 62 CO 0.01 0.17 -0.02 -0.47 0.23 0.00 0.00 176.35 176.26 3d6i s TYR 63 N 0.40 3.26 -0.10 0.29 5.04 0.04 -1.25 117.35 125.02 3d6i s TYR 63 Ca 0.05 -1.94 -0.13 0.00 -2.44 0.00 0.00 57.07 52.61 3d6i s TYR 63 Cb -0.12 -2.07 -0.05 0.00 0.35 0.00 0.00 41.96 40.07 3d6i s TYR 63 CO -0.00 -0.81 0.31 -0.06 -1.34 0.00 0.00 175.55 173.64 3d6i s PHE 64 N 1.23 3.57 0.28 4.97 0.08 0.26 -0.29 117.98 128.08 3d6i s PHE 64 Ca -0.06 0.71 -0.11 0.00 0.12 0.00 0.00 56.93 57.59 3d6i s PHE 64 Cb -0.20 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 3d6i s PHE 64 CO -0.02 0.45 0.51 -3.38 -0.10 0.00 0.00 175.22 172.68 3d6i s HIS 65 N -0.26 0.45 0.34 0.36 -3.43 -0.62 -1.69 115.29 110.43 3d6i s HIS 65 Ca 0.19 -0.82 0.03 0.00 -0.80 0.00 0.00 55.06 53.66 3d6i s HIS 65 Cb -0.14 0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 3d6i s HIS 65 CO 0.07 -1.07 0.09 0.95 -2.00 0.00 0.00 174.74 172.77 3d6i s THR 66 N -3.70 0.89 0.16 -5.38 -4.23 -1.26 -0.22 115.64 101.90 3d6i s THR 66 Ca 0.23 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.01 3d6i s THR 66 Cb -0.01 -2.63 0.28 0.00 1.34 0.00 0.00 72.50 71.48 3d6i s THR 66 CO 0.11 0.00 1.90 0.28 -0.54 0.00 0.00 174.62 176.37 3d6i h SER 67 N 2.06 0.00 -2.58 3.99 0.02 -2.00 -3.50 113.55 111.54 3d6i h SER 67 Ca -0.39 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.87 3d6i h SER 67 Cb 1.25 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.44 3d6i h SER 67 CO 0.64 0.16 0.00 -2.67 -1.14 0.00 0.00 176.83 173.82 3d6i n TRP 68 N -3.34 3.14 -3.78 3.45 2.14 -1.26 -5.28 117.44 112.51 3d6i n TRP 68 Ca -0.00 -3.52 -0.20 0.00 2.07 0.00 0.00 57.50 55.85 3d6i n TRP 68 Cb 0.38 -0.89 -0.17 0.00 -0.81 0.00 0.00 31.31 29.82 3d6i n TRP 68 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3d6i s ALA 74 N -2.51 0.40 0.33 -1.67 0.00 -1.26 -5.11 121.76 111.94 3d6i s ALA 74 Ca 0.35 0.08 0.36 0.00 0.00 0.00 0.00 51.96 52.75 3d6i s ALA 74 Cb 0.09 -0.57 1.70 0.00 0.00 0.00 0.00 23.12 24.34 3d6i s ALA 74 CO 0.03 -0.36 2.12 1.25 0.00 0.00 0.00 175.76 178.80 3d6i h LEU 75 N 8.05 0.00 0.11 0.00 5.85 -2.03 -2.46 115.31 124.83 3d6i h LEU 75 Ca -0.24 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3d6i h LEU 75 Cb 1.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3d6i h LEU 75 CO 0.28 0.03 -0.26 0.50 -0.34 0.00 0.00 178.44 178.65 3d6i h LYS 76 N 0.00 -0.45 -0.90 1.25 3.64 -2.03 -1.30 116.57 116.78 3d6i h LYS 76 Ca -0.00 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3d6i h LYS 76 Cb 0.33 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 3d6i h LYS 76 CO 0.00 -0.30 0.52 1.96 -2.27 0.00 0.00 179.45 179.36 3d6i h GLN 77 N -0.47 0.78 -0.36 1.90 4.20 -1.88 -0.15 115.11 119.14 3d6i h GLN 77 Ca 0.03 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3d6i h GLN 77 Cb 0.50 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3d6i h GLN 77 CO -0.15 0.52 -0.00 0.28 -0.67 0.00 0.00 178.83 178.80 3d6i h VAL 78 N 0.81 1.26 -0.61 -0.54 2.07 -1.53 0.39 116.25 118.09 3d6i h VAL 78 Ca 0.46 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3d6i h VAL 78 Cb 0.53 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3d6i h VAL 78 CO -0.30 0.33 0.40 0.15 0.02 0.00 0.00 177.57 178.17 3d6i h PHE 79 N 0.45 0.76 -0.44 1.57 3.57 -0.36 -0.49 116.94 122.00 3d6i h PHE 79 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3d6i h PHE 79 Cb 0.47 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3d6i h PHE 79 CO 0.04 0.48 0.26 1.49 -2.23 0.00 0.00 178.31 178.35 3d6i h GLU 80 N 0.82 0.51 -0.41 1.11 4.81 -0.95 -1.37 114.58 119.11 3d6i h GLU 80 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3d6i h GLU 80 Cb -0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3d6i h GLU 80 CO -0.05 0.34 0.23 0.00 -0.73 0.00 0.00 179.01 178.79 3d6i h ALA 81 N 1.20 0.52 -0.52 2.92 0.00 -0.41 -1.87 119.26 121.09 3d6i h ALA 81 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3d6i h ALA 81 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3d6i h ALA 81 CO -0.08 0.04 0.18 0.82 0.00 0.00 0.00 179.25 180.21 3d6i h ILE 82 N 0.53 1.20 0.00 0.00 2.04 -1.01 -1.75 117.51 118.51 3d6i h ILE 82 Ca 0.14 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3d6i h ILE 82 Cb 0.05 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3d6i h ILE 82 CO -0.02 0.25 -0.03 0.77 0.00 0.00 0.00 178.15 179.12 3d6i h SER 83 N 0.74 0.00 0.02 1.72 4.64 -0.68 -2.63 113.55 117.36 3d6i h SER 83 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3d6i h SER 83 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3d6i h SER 83 CO -0.01 0.03 -0.04 0.59 -0.87 0.00 0.00 176.83 176.52 3d6i n ASN 84 N -3.21 1.61 -4.70 4.97 3.02 -0.66 -0.81 115.26 115.48 3d6i n ASN 84 Ca -0.01 -1.47 -0.42 0.00 -0.03 0.00 0.00 54.58 52.64 3d6i n ASN 84 Cb 0.19 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 -2.08 4.33 0.39 3.52 0.41 -0.99 -4.89 118.70 119.40 3d6i s GLU 85 Ca 0.35 1.92 0.15 0.00 -0.41 0.00 0.00 54.97 56.98 3d6i s GLU 85 Cb 0.21 -3.45 1.00 0.00 -1.78 0.00 0.00 34.13 30.11 3d6i s GLU 85 CO 0.36 -0.46 1.84 -1.35 -0.49 0.00 0.00 175.26 175.16 3d6i h PRO 86 N 7.33 0.48 0.00 0.39 0.11 -1.91 0.76 132.00 139.16 3d6i h PRO 86 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3d6i h PRO 86 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3d6i h PRO 86 CO 0.87 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.85 3d6i n SER 87 N -4.55 0.00 -1.27 -2.05 3.41 -1.26 -1.53 113.62 106.37 3d6i n SER 87 Ca 0.20 -0.23 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 3d6i n SER 87 Cb 0.66 -0.18 0.31 0.00 -0.26 0.00 0.00 64.21 64.74 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 -1.18 4.53 0.29 4.04 3.02 0.26 -4.71 115.26 121.50 3d6i n ASN 88 Ca 0.12 -2.88 0.16 0.00 -0.03 0.00 0.00 54.58 51.95 3d6i n ASN 88 Cb 0.12 -0.58 0.86 0.00 -0.61 0.00 0.00 39.78 39.58 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 2.74 0.00 -0.62 6.41 4.64 -1.34 -1.81 113.55 123.58 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 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3d6i h SER 89 CO 0.30 0.06 0.00 -3.20 -0.87 0.00 0.00 176.83 173.12 3d6i n ASN 90 N -3.42 4.75 -4.46 4.97 4.05 -1.26 -4.88 115.26 115.00 3d6i n ASN 90 Ca -0.02 -2.49 -0.32 0.00 0.45 0.00 0.00 54.58 52.20 3d6i n ASN 90 Cb 0.19 -0.59 -0.13 0.00 1.23 0.00 0.00 39.78 40.49 3d6i n ASN 90 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3d6i s VAL 91 N -1.96 2.97 -0.16 3.44 1.01 -0.68 -4.00 120.40 121.02 3d6i s VAL 91 Ca 0.50 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3d6i s VAL 91 Cb 0.33 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3d6i s VAL 91 CO 0.23 0.56 0.13 -0.44 0.00 0.00 0.00 175.10 175.58 3d6i s SER 92 N -0.80 6.22 -0.24 3.32 0.01 -0.33 -4.99 113.70 116.89 3d6i s SER 92 Ca 0.12 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.72 3d6i s SER 92 Cb -0.11 -2.06 0.05 0.00 0.21 0.00 0.00 66.02 64.12 3d6i s SER 92 CO 0.01 0.28 -0.13 -0.36 0.41 0.00 0.00 173.24 173.45 3d6i s PHE 93 N -0.25 3.14 -0.15 2.43 0.08 -1.26 -0.16 117.98 121.81 3d6i s PHE 93 Ca 0.11 -2.12 -0.01 0.00 0.12 0.00 0.00 56.93 55.03 3d6i s PHE 93 Cb -0.12 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3d6i s PHE 93 CO 0.01 -0.86 -0.12 -0.51 -0.10 0.00 0.00 175.22 173.64 3d6i s LEU 94 N 1.16 2.73 -0.15 -0.37 1.43 0.09 -1.15 118.68 122.42 3d6i s LEU 94 Ca -0.05 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3d6i s LEU 94 Cb -0.18 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3d6i s LEU 94 CO -0.07 0.13 0.06 -0.94 0.23 0.00 0.00 176.35 175.76 3d6i s SER 95 N 0.58 5.68 -0.20 2.29 1.04 -0.10 -0.78 113.70 122.20 3d6i s SER 95 Ca -0.07 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 3d6i s SER 95 Cb -0.15 -1.88 0.06 0.00 0.10 0.00 0.00 66.02 64.14 3d6i s SER 95 CO 0.03 0.26 -0.02 -0.63 0.98 0.00 0.00 173.24 173.86 3d6i s ILE 96 N -0.13 1.08 -0.29 -1.02 1.01 0.60 -0.67 121.20 121.79 3d6i s ILE 96 Ca 0.07 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 3d6i s ILE 96 Cb -0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3d6i s ILE 96 CO 0.01 -0.08 1.60 -0.62 0.00 0.00 0.00 174.94 175.85 3d6i s ASP 97 N 1.61 6.28 0.38 3.58 -1.08 -1.26 -1.59 116.67 124.59 3d6i s ASP 97 Ca -0.03 1.37 0.09 0.00 -0.52 0.00 0.00 52.55 53.46 3d6i s ASP 97 Cb -0.17 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 39.50 3d6i s ASP 97 CO -0.07 -1.38 1.89 0.00 0.52 0.00 0.00 175.17 176.13 3d6i h ALA 98 N 11.12 1.46 -0.12 3.66 0.00 -0.93 -1.95 119.26 132.51 3d6i h ALA 98 Ca -0.32 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 3d6i h ALA 98 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3d6i h ALA 98 CO 1.03 0.38 -0.77 0.22 0.00 0.00 0.00 179.25 180.10 3d6i h ASP 99 N 0.23 0.75 1.27 0.00 3.58 -1.89 -3.23 116.42 117.12 3d6i h ASP 99 Ca 0.04 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3d6i h ASP 99 Cb 0.42 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3d6i h ASP 99 CO 0.03 1.27 -0.05 -0.62 -2.88 0.00 0.00 179.24 176.99 3d6i n GLU 100 N -3.89 0.18 -3.19 0.28 1.02 -0.99 -4.21 120.64 109.83 3d6i n GLU 100 Ca -0.06 0.14 -0.25 0.00 -0.02 0.00 0.00 57.16 56.96 3d6i n GLU 100 Cb 0.74 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3d6i n GLU 100 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3d6i n ASN 101 N -2.00 3.04 -0.13 1.62 4.13 -0.77 -4.96 115.26 116.20 3d6i n ASN 101 Ca 0.06 -3.35 -0.05 0.00 1.68 0.00 0.00 54.58 52.92 3d6i n ASN 101 Cb 0.40 -0.62 0.03 0.00 -1.54 0.00 0.00 39.78 38.05 3d6i n ASN 101 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3d6i h SER 102 N 3.58 0.15 -0.77 6.41 0.02 -1.73 -1.43 113.55 119.77 3d6i h SER 102 Ca 0.14 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3d6i h SER 102 Cb 0.68 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 3d6i h SER 102 CO 0.73 0.12 0.30 -0.33 -1.14 0.00 0.00 176.83 176.50 3d6i h GLU 103 N 0.31 1.17 -0.31 3.45 3.07 -1.92 0.65 114.58 121.00 3d6i h GLU 103 Ca 0.19 -0.22 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 3d6i h GLU 103 Cb 0.18 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3d6i h GLU 103 CO -0.20 0.95 -0.32 0.82 -1.40 0.00 0.00 179.01 178.86 3d6i h ILE 104 N 1.14 1.29 -0.80 3.13 2.04 -1.89 -0.87 117.51 121.55 3d6i h ILE 104 Ca 0.26 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 3d6i h ILE 104 Cb 0.23 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3d6i h ILE 104 CO -0.02 0.48 0.47 0.28 0.00 0.00 0.00 178.15 179.37 3d6i h SER 105 N 0.52 0.97 -0.72 1.72 0.02 -1.04 -1.90 113.55 113.12 3d6i h SER 105 Ca 0.05 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3d6i h SER 105 Cb 0.90 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3d6i h SER 105 CO 0.08 0.76 0.45 -0.08 -1.14 0.00 0.00 176.83 176.91 3d6i h GLU 106 N 1.10 0.96 -0.87 3.45 4.81 -0.74 -1.09 114.58 122.21 3d6i h GLU 106 Ca 0.29 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 3d6i h GLU 106 Cb -0.02 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.10 3d6i h GLU 106 CO -0.05 0.66 0.56 1.25 -0.73 0.00 0.00 179.01 180.69 3d6i h LEU 107 N 0.98 0.91 -1.71 1.64 5.85 -0.40 -2.05 115.31 120.53 3d6i h LEU 107 Ca 0.26 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3d6i h LEU 107 Cb -0.07 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.76 3d6i h LEU 107 CO -0.05 0.62 0.00 0.49 -0.34 0.00 0.00 178.44 179.16 3d6i n PHE 108 N -4.56 0.49 -3.88 1.25 3.72 -0.82 -4.95 117.46 108.72 3d6i n PHE 108 Ca 0.11 -0.24 -0.25 0.00 -0.05 0.00 0.00 57.45 57.02 3d6i n PHE 108 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.87 -4.14 -2.16 -1.08 1.02 -0.51 -4.89 120.64 109.75 3d6i n GLU 109 Ca 0.17 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.39 3d6i n GLU 109 Cb 0.43 -4.92 -0.03 0.00 -0.02 0.00 0.00 31.44 26.90 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 -3.73 3.39 0.00 -3.67 -1.09 -0.60 -4.88 121.20 110.61 3d6i s ILE 110 Ca 0.13 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 3d6i s ILE 110 Cb -0.07 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 3d6i s ILE 110 CO 0.86 0.05 0.40 -1.54 -1.23 0.00 0.00 174.94 173.47 3d6i n SER 111 N 4.47 0.69 -3.58 3.58 3.41 -1.26 -4.93 113.62 116.01 3d6i n SER 111 Ca 0.12 -1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 57.44 3d6i n SER 111 Cb 0.42 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.13 -1.66 0.08 7.33 0.00 -1.26 -5.17 121.76 120.95 3d6i s ALA 112 Ca 0.00 1.42 0.07 0.00 0.00 0.00 0.00 51.96 53.45 3d6i s ALA 112 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3d6i s ALA 112 CO 0.00 -0.35 -0.18 0.14 0.00 0.00 0.00 175.76 175.37 3d6i s VAL 113 N -0.73 1.47 0.60 0.00 -7.23 -1.26 -4.19 120.40 109.05 3d6i s VAL 113 Ca -0.08 -1.38 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 3d6i s VAL 113 Cb -0.02 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 3d6i s VAL 113 CO 0.07 -0.07 1.14 -2.16 -0.31 0.00 0.00 175.10 173.77 3d6i s PRO 114 N -1.71 3.04 -0.07 4.82 0.04 -1.26 -5.01 135.00 134.86 3d6i s PRO 114 Ca 0.04 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 3d6i s PRO 114 Cb -0.10 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3d6i s PRO 114 CO 0.03 -1.10 0.18 -0.47 0.04 0.00 0.00 177.00 175.68 3d6i s TYR 115 N -1.93 -0.20 -0.06 0.56 5.04 -0.68 -1.94 117.35 118.15 3d6i s TYR 115 Ca 0.72 0.48 0.03 0.00 -2.44 0.00 0.00 57.07 55.86 3d6i s TYR 115 Cb -0.24 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.11 3d6i s TYR 115 CO 0.34 -0.10 -0.13 -0.06 -1.34 0.00 0.00 175.55 174.26 3d6i s PHE 116 N 0.09 2.74 -0.03 4.97 0.08 -0.56 -0.57 117.98 124.69 3d6i s PHE 116 Ca -0.00 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3d6i s PHE 116 Cb -0.01 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.79 3d6i s PHE 116 CO 0.00 0.16 -0.06 0.42 -0.10 0.00 0.00 175.22 175.64 3d6i s ILE 117 N -0.63 0.61 -0.19 0.64 1.01 -0.38 -0.92 121.20 121.34 3d6i s ILE 117 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 3d6i s ILE 117 Cb -0.11 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 3d6i s ILE 117 CO 0.01 0.22 -0.01 -0.63 0.00 0.00 0.00 174.94 174.54 3d6i s ILE 118 N 0.58 3.98 0.15 2.92 1.01 0.02 -0.26 121.20 129.60 3d6i s ILE 118 Ca -0.08 -0.31 0.11 0.00 0.00 0.00 0.00 60.65 60.37 3d6i s ILE 118 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3d6i s ILE 118 CO 0.00 0.44 -0.25 -0.63 0.00 0.00 0.00 174.94 174.50 3d6i s ILE 119 N 0.83 2.33 -0.22 2.92 1.01 0.18 -0.47 121.20 127.78 3d6i s ILE 119 Ca 0.00 -1.83 -0.14 0.00 0.00 0.00 0.00 60.65 58.68 3d6i s ILE 119 Cb -0.14 -2.06 0.07 0.00 0.01 0.00 0.00 42.46 40.33 3d6i s ILE 119 CO 0.02 0.02 0.56 -2.28 0.00 0.00 0.00 174.94 173.26 3d6i s HIS 120 N -1.26 -0.80 -1.52 3.97 2.46 -0.25 -0.99 115.29 116.90 3d6i s HIS 120 Ca 0.16 1.69 -0.13 0.00 0.47 0.00 0.00 55.06 57.25 3d6i s HIS 120 Cb -0.09 0.41 0.09 0.00 -0.13 0.00 0.00 32.58 32.86 3d6i s HIS 120 CO 0.07 -0.41 0.87 1.63 -2.47 0.00 0.00 174.74 174.43 3d6i n LYS 121 N 3.99 -4.92 -1.04 2.88 5.02 -1.26 -1.52 118.16 121.31 3d6i n LYS 121 Ca -0.20 0.57 -0.02 0.00 -2.02 0.00 0.00 58.31 56.65 3d6i n LYS 121 Cb 0.57 -5.42 -0.01 0.00 -0.02 0.00 0.00 35.03 30.15 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 -1.57 0.52 3.14 0.72 0.00 -1.26 -5.02 105.19 101.72 3d6i n GLY 122 Ca 0.03 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 3d6i n GLY 122 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3d6i s THR 123 N -1.97 0.98 -0.09 2.61 -1.32 -0.58 -5.12 115.64 110.15 3d6i s THR 123 Ca 0.00 -1.17 -0.30 0.00 -1.21 0.00 0.00 61.69 59.01 3d6i s THR 123 Cb 0.00 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3d6i s THR 123 CO 0.00 -0.20 1.11 -0.63 -2.21 0.00 0.00 174.62 172.69 3d6i s ILE 124 N -1.17 4.52 -0.20 5.08 1.01 -1.26 -1.09 121.20 128.09 3d6i s ILE 124 Ca -0.03 1.81 -0.22 0.00 0.00 0.00 0.00 60.65 62.21 3d6i s ILE 124 Cb -0.09 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 38.02 3d6i s ILE 124 CO 0.02 -0.01 0.28 -0.07 0.00 0.00 0.00 174.94 175.16 3d6i h LEU 125 N 8.20 0.00 -7.40 2.97 3.38 -1.12 -3.48 115.31 117.86 3d6i h LEU 125 Ca -0.32 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 56.98 3d6i h LEU 125 Cb 1.15 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.70 3d6i h LEU 125 CO 0.88 1.39 -0.18 -0.75 0.09 0.00 0.00 178.44 179.86 3d6i s LYS 126 N -2.33 0.73 0.10 1.13 2.20 -1.16 -5.01 119.74 115.40 3d6i s LYS 126 Ca -0.27 -0.07 0.10 0.00 -0.36 0.00 0.00 55.97 55.38 3d6i s LYS 126 Cb 0.04 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 3d6i s LYS 126 CO 0.59 -0.20 -0.25 -1.21 -0.36 0.00 0.00 175.35 173.91 3d6i s GLU 127 N -1.22 1.60 -0.08 4.03 2.02 -1.26 -0.80 118.70 122.99 3d6i s GLU 127 Ca -0.12 -1.24 -0.03 0.00 0.02 0.00 0.00 54.97 53.60 3d6i s GLU 127 Cb -0.04 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.26 3d6i s GLU 127 CO 0.05 0.48 0.06 -1.17 0.02 0.00 0.00 175.26 174.70 3d6i s LEU 128 N -1.79 0.25 -1.16 1.80 2.96 -0.10 -5.01 118.68 115.64 3d6i s LEU 128 Ca 0.14 -0.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.69 3d6i s LEU 128 Cb -0.10 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3d6i s LEU 128 CO 0.05 -0.27 1.86 -0.94 -1.32 0.00 0.00 176.35 175.73 3d6i s SER 129 N 2.14 5.54 0.00 3.68 1.04 -1.26 -1.50 113.70 123.34 3d6i s SER 129 Ca 0.04 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.77 3d6i s SER 129 Cb -0.13 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3d6i s SER 129 CO -0.05 -2.51 0.00 0.61 0.98 0.00 0.00 173.24 172.27 3d6i n GLY 130 N 5.92 -0.37 0.00 7.32 0.00 -0.82 -4.92 105.19 112.32 3d6i n GLY 130 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.09 0.00 -2.30 4.61 0.00 -1.26 -4.80 120.51 114.66 3d6i n ALA 131 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3d6i n ALA 131 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 3d6i n ALA 131 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3d6i s ASP 132 N -2.59 4.81 0.21 0.00 1.47 -1.26 -4.99 116.67 114.32 3d6i s ASP 132 Ca 0.00 -0.92 -0.12 0.00 1.18 0.00 0.00 52.55 52.70 3d6i s ASP 132 Cb 0.00 -0.39 0.27 0.00 -0.34 0.00 0.00 42.92 42.45 3d6i s ASP 132 CO 0.00 -0.69 1.65 -0.65 0.68 0.00 0.00 175.17 176.16 3d6i h PRO 133 N 1.09 0.07 -0.80 2.11 0.11 -1.99 -1.41 132.00 131.18 3d6i h PRO 133 Ca -0.41 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3d6i h PRO 133 Cb 1.27 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3d6i h PRO 133 CO 0.61 0.05 0.48 0.87 -0.21 0.00 0.00 178.00 179.79 3d6i h LYS 134 N 0.07 1.09 -0.48 1.05 1.57 -1.99 -0.19 116.57 117.69 3d6i h LYS 134 Ca 0.31 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3d6i h LYS 134 Cb 0.49 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3d6i h LYS 134 CO -0.55 0.77 -0.12 0.93 -0.57 0.00 0.00 179.45 179.91 3d6i h GLU 135 N 1.10 0.90 0.07 3.15 4.39 -1.88 -1.14 114.58 121.17 3d6i h GLU 135 Ca 0.29 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3d6i h GLU 135 Cb -0.03 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3d6i h GLU 135 CO -0.05 0.96 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.81 3d6i h TYR 136 N 0.80 -0.09 -0.46 4.33 3.20 -0.76 -1.46 116.97 122.52 3d6i h TYR 136 Ca 0.13 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 3d6i h TYR 136 Cb 0.64 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3d6i h TYR 136 CO 0.04 0.18 0.05 0.28 -1.64 0.00 0.00 178.16 177.07 3d6i h VAL 137 N -0.36 1.22 -0.38 1.81 2.07 -0.98 -0.98 116.25 118.66 3d6i h VAL 137 Ca -0.01 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3d6i h VAL 137 Cb 0.31 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3d6i h VAL 137 CO 0.02 0.31 0.07 -1.28 0.02 0.00 0.00 177.57 176.70 3d6i h SER 138 N 0.70 0.60 -0.12 0.57 0.87 -1.17 -0.58 113.55 114.43 3d6i h SER 138 Ca 0.15 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3d6i h SER 138 Cb 0.35 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3d6i h SER 138 CO 0.01 0.71 0.05 0.25 -0.53 0.00 0.00 176.83 177.32 3d6i h LEU 139 N 0.48 0.15 -0.56 2.23 5.85 -0.94 -0.04 115.31 122.48 3d6i h LEU 139 Ca 0.12 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3d6i h LEU 139 Cb 0.36 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3d6i h LEU 139 CO 0.01 0.24 0.27 0.25 -0.34 0.00 0.00 178.44 178.87 3d6i h LEU 140 N 0.06 0.37 -0.78 2.25 5.85 -1.04 -2.29 115.31 119.73 3d6i h LEU 140 Ca 0.04 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3d6i h LEU 140 Cb 0.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3d6i h LEU 140 CO -0.00 0.25 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.69 3d6i h GLU 141 N 0.52 0.55 0.00 1.25 4.39 -0.83 -0.13 114.58 120.32 3d6i h GLU 141 Ca 0.26 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3d6i h GLU 141 Cb 0.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3d6i h GLU 141 CO -0.20 0.81 0.00 -0.25 -1.16 0.00 0.00 179.01 178.21 3d6i n ASP 142 N -4.07 0.00 0.00 1.42 8.00 -0.05 -0.92 116.55 120.92 3d6i n ASP 142 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3d6i n ASP 142 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.43 0.00 0.23 -1.24 5.02 -0.06 -2.69 118.16 119.84 3d6i n LYS 144 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3d6i n LYS 144 Cb 0.00 0.00 0.54 0.00 -0.02 0.00 0.00 35.03 35.55 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 0.00 0.01 4.39 -1.24 -1.28 -3.13 115.58 114.32 3d6i h ASN 145 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 3d6i h ASN 145 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3d6i h ASN 145 CO 0.00 0.23 -0.91 0.28 -1.29 0.00 0.00 177.43 175.73 3d6i h SER 146 N 0.00 0.03 -3.57 1.15 0.02 -1.78 -3.43 113.55 105.97 3d6i h SER 146 Ca -0.00 -0.68 -0.68 0.00 -0.84 0.00 0.00 61.79 59.59 3d6i h SER 146 Cb 0.50 -0.01 -0.36 0.00 0.14 0.00 0.00 62.40 62.67 3d6i h SER 146 CO 0.03 1.36 -0.62 0.68 -1.14 0.00 0.00 176.83 177.15 3d6i s VAL 147 N -2.33 2.92 0.00 2.27 -7.23 -1.19 -5.25 120.40 109.59 3d6i s VAL 147 Ca -0.25 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 57.79 3d6i s VAL 147 Cb 0.03 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3d6i s VAL 147 CO 0.63 -0.63 0.04 -0.46 -0.31 0.00 0.00 175.10 174.38