#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfe s ARG 4 N 0.00 4.38 0.18 1.64 3.00 -1.26 -0.65 118.95 126.24 3dfe s ARG 4 Ca 0.00 1.97 -0.01 0.00 0.00 0.00 0.00 55.73 57.69 3dfe s ARG 4 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.65 3dfe s ARG 4 CO 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 175.30 175.08 3dfe s ALA 5 N 0.77 1.07 -0.23 2.13 0.00 0.45 -4.93 121.76 121.03 3dfe s ALA 5 Ca 0.60 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 3dfe s ALA 5 Cb -0.34 1.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 3dfe s ALA 5 CO 0.32 -0.55 0.15 -0.80 0.00 0.00 0.00 175.76 174.88 3dfe s ASN 6 N -3.12 6.03 -0.55 0.00 0.01 -1.25 -1.44 114.94 114.62 3dfe s ASN 6 Ca 0.33 0.10 -0.17 0.00 -0.71 0.00 0.00 52.86 52.41 3dfe s ASN 6 Cb 0.07 -2.08 0.11 0.00 0.41 0.00 0.00 41.25 39.76 3dfe s ASN 6 CO 0.08 0.07 0.57 -0.75 -1.51 0.00 0.00 177.10 175.57 3dfe s LYS 7 N 1.00 3.02 -0.07 -0.60 2.20 0.62 -0.99 119.74 124.92 3dfe s LYS 7 Ca 0.07 -1.47 -0.25 0.00 -0.36 0.00 0.00 55.97 53.96 3dfe s LYS 7 Cb -0.13 -4.26 -0.03 0.00 -1.51 0.00 0.00 37.83 31.90 3dfe s LYS 7 CO 0.04 -1.37 0.80 -1.17 -0.36 0.00 0.00 175.35 173.29 3dfe s LEU 8 N 2.07 4.30 -0.12 5.43 2.96 0.87 -1.01 118.68 133.18 3dfe s LEU 8 Ca 0.07 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 3dfe s LEU 8 Cb -0.26 -3.24 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 3dfe s LEU 8 CO 0.05 -0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.99 3dfe s VAL 9 N 1.16 2.46 -0.20 1.68 1.01 0.72 -0.81 120.40 126.41 3dfe s VAL 9 Ca 0.41 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3dfe s VAL 9 Cb -0.18 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3dfe s VAL 9 CO 0.19 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 175.04 3dfe s ILE 10 N 0.47 2.01 -0.19 2.22 1.01 -0.65 -1.38 121.20 124.69 3dfe s ILE 10 Ca -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 3dfe s ILE 10 Cb -0.17 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3dfe s ILE 10 CO 0.05 0.33 -0.07 -0.69 0.00 0.00 0.00 174.94 174.56 3dfe s VAL 11 N 1.26 3.29 0.14 2.92 1.01 -0.48 -0.67 120.40 127.87 3dfe s VAL 11 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3dfe s VAL 11 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3dfe s VAL 11 CO -0.10 0.46 0.22 1.07 0.00 0.00 0.00 175.10 176.75 3dfe n THR 12 N 4.33 0.00 -2.42 3.92 5.66 -0.71 -1.05 114.28 124.01 3dfe n THR 12 Ca -0.18 -0.58 -0.40 0.00 -3.05 0.00 0.00 64.05 59.83 3dfe n THR 12 Cb 0.51 0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 69.66 3dfe n THR 12 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dfe s GLU 13 N -2.22 4.58 0.45 1.09 2.02 -1.24 -0.34 118.70 123.05 3dfe s GLU 13 Ca 0.09 1.86 0.19 0.00 0.02 0.00 0.00 54.97 57.13 3dfe s GLU 13 Cb -0.01 -3.15 1.15 0.00 0.10 0.00 0.00 34.13 32.22 3dfe s GLU 13 CO 0.07 0.14 1.92 -0.22 0.02 0.00 0.00 175.26 177.19 3dfe h LYS 14 N 3.71 0.30 -0.26 1.61 3.64 -1.91 -1.36 116.57 122.30 3dfe h LYS 14 Ca -0.47 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 3dfe h LYS 14 Cb 1.21 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3dfe h LYS 14 CO 0.66 0.20 0.24 -0.39 -2.27 0.00 0.00 179.45 177.89 3dfe h VAL 15 N 0.31 0.60 -0.29 2.00 -1.51 -1.97 -1.07 116.25 114.32 3dfe h VAL 15 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.84 3dfe h VAL 15 Cb 0.99 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 3dfe h VAL 15 CO -0.10 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.42 3dfe n LEU 16 N -4.04 1.71 0.01 4.19 4.77 -0.51 -4.53 117.00 118.60 3dfe n LEU 16 Ca 0.03 -0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 55.09 3dfe n LEU 16 Cb 0.39 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3dfe n LEU 16 CO 0.31 0.41 0.67 0.25 -1.33 0.00 0.00 177.39 177.70 3dfe h LEU 17 N 1.96 -0.87 -0.49 2.23 6.46 -1.34 0.87 115.31 124.14 3dfe h LEU 17 Ca 0.00 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3dfe h LEU 17 Cb 0.44 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 3dfe h LEU 17 CO 0.00 -0.33 0.14 0.11 -0.62 0.00 0.00 178.44 177.74 3dfe h LYS 18 N -0.37 0.77 -0.28 1.25 1.57 -1.84 -0.78 116.57 116.90 3dfe h LYS 18 Ca 0.09 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3dfe h LYS 18 Cb 0.51 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3dfe h LYS 18 CO -0.32 0.74 0.07 1.57 -0.57 0.00 0.00 179.45 180.94 3dfe h LYS 19 N 0.67 0.44 -0.36 3.15 2.10 -1.77 -1.83 116.57 118.97 3dfe h LYS 19 Ca 0.16 -0.10 -0.14 0.00 -2.00 0.00 0.00 60.65 58.56 3dfe h LYS 19 Cb 0.30 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 3dfe h LYS 19 CO -0.00 0.52 -0.35 0.28 -2.00 0.00 0.00 179.45 177.89 3dfe h VAL 20 N 0.28 1.28 -0.97 0.07 2.07 -0.80 -2.70 116.25 115.48 3dfe h VAL 20 Ca 0.09 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.11 3dfe h VAL 20 Cb 0.27 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3dfe h VAL 20 CO -0.00 0.50 0.64 0.00 0.02 0.00 0.00 177.57 178.73 3dfe h ALA 21 N 0.91 1.35 -0.76 1.67 0.00 -1.08 -1.81 119.26 119.54 3dfe h ALA 21 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dfe h ALA 21 Cb 0.91 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3dfe h ALA 21 CO 0.08 0.57 0.39 1.57 0.00 0.00 0.00 179.25 181.87 3dfe h LYS 22 N 1.25 1.07 -0.46 0.00 -0.00 -1.09 -1.73 116.57 115.62 3dfe h LYS 22 Ca 0.37 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.65 60.86 3dfe h LYS 22 Cb -0.05 -0.20 -0.02 0.00 -0.00 0.00 0.00 32.23 31.96 3dfe h LYS 22 CO -0.10 0.82 0.21 0.82 -0.00 0.00 0.00 179.45 181.19 3dfe h ILE 23 N 1.06 1.19 0.09 0.07 2.04 -1.12 0.76 117.51 121.60 3dfe h ILE 23 Ca 0.26 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3dfe h ILE 23 Cb 0.08 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3dfe h ILE 23 CO -0.04 0.21 -0.04 0.40 0.00 0.00 0.00 178.15 178.68 3dfe h ILE 24 N 0.60 0.95 -0.20 -0.67 2.04 -1.18 -0.68 117.51 118.37 3dfe h ILE 24 Ca 0.16 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3dfe h ILE 24 Cb 0.14 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3dfe h ILE 24 CO -0.02 0.03 0.13 -0.33 0.00 0.00 0.00 178.15 177.95 3dfe h GLU 25 N -0.16 0.27 0.00 2.37 5.08 -1.21 -2.30 114.58 118.63 3dfe h GLU 25 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3dfe h GLU 25 Cb 0.13 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3dfe h GLU 25 CO 0.02 0.20 -0.11 0.93 -1.00 0.00 0.00 179.01 179.05 3dfe h GLU 26 N 0.25 0.00 0.00 2.33 5.08 -0.78 -1.56 114.58 119.91 3dfe h GLU 26 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3dfe h GLU 26 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dfe h GLU 26 CO -0.01 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 3dfe n ALA 27 N -2.22 1.93 -0.04 3.43 0.00 -0.27 -4.89 120.51 118.45 3dfe n ALA 27 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3dfe n ALA 27 Cb 0.26 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3dfe n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dfe n GLY 28 N 0.56 0.98 3.74 0.00 0.00 -0.58 -5.05 105.19 104.83 3dfe n GLY 28 Ca 0.04 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3dfe n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfe s ALA 29 N -2.00 3.78 -0.07 4.61 0.00 -0.90 -4.88 121.76 122.31 3dfe s ALA 29 Ca 0.00 1.53 0.23 0.00 0.00 0.00 0.00 51.96 53.72 3dfe s ALA 29 Cb 0.00 -3.65 0.66 0.00 0.00 0.00 0.00 23.12 20.13 3dfe s ALA 29 CO 0.00 -0.92 1.71 1.79 0.00 0.00 0.00 175.76 178.34 3dfe h THR 30 N 3.56 0.42 -1.36 0.00 1.35 -1.90 -3.44 112.91 111.55 3dfe h THR 30 Ca -0.46 -1.26 0.34 0.00 -0.55 0.00 0.00 66.41 64.48 3dfe h THR 30 Cb 1.21 1.94 -0.12 0.00 -1.73 0.00 0.00 68.15 69.45 3dfe h THR 30 CO 0.84 0.20 0.87 -0.83 -0.25 0.00 0.00 175.52 176.35 3dfe s GLY 31 N -4.29 -0.43 -0.02 5.82 0.00 -1.26 -5.17 107.32 101.96 3dfe s GLY 31 Ca 0.03 0.74 -0.29 0.00 0.00 0.00 0.00 44.72 45.21 3dfe s GLY 31 CO 0.66 0.21 0.83 -2.52 0.00 0.00 0.00 173.10 172.27 3dfe s TYR 32 N -2.33 -0.44 0.05 1.90 -0.85 -1.26 -4.48 117.35 109.93 3dfe s TYR 32 Ca 0.15 0.51 0.02 0.00 -0.52 0.00 0.00 57.07 57.23 3dfe s TYR 32 Cb 0.05 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 3dfe s TYR 32 CO -0.05 -0.56 0.04 0.99 -1.52 0.00 0.00 175.55 174.46 3dfe s THR 33 N -2.37 4.37 -0.04 -3.49 2.01 -0.14 -4.95 115.64 111.03 3dfe s THR 33 Ca -0.00 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3dfe s THR 33 Cb -0.01 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.49 3dfe s THR 33 CO -0.04 0.22 0.07 0.54 -0.69 0.00 0.00 174.62 174.73 3dfe s VAL 34 N -1.27 -0.05 0.08 3.82 0.11 -1.26 -1.24 120.40 120.59 3dfe s VAL 34 Ca 0.25 0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 3dfe s VAL 34 Cb -0.12 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3dfe s VAL 34 CO 0.17 0.08 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.21 3dfe s VAL 35 N 1.04 1.01 0.09 2.04 1.01 -0.42 -4.95 120.40 120.21 3dfe s VAL 35 Ca -0.08 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 3dfe s VAL 35 Cb -0.12 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 3dfe s VAL 35 CO -0.04 -0.38 0.69 -1.81 0.00 0.00 0.00 175.10 173.57 3dfe s ASP 36 N -2.03 7.20 0.05 3.32 1.11 -1.26 -0.29 116.67 124.76 3dfe s ASP 36 Ca 0.01 1.43 0.00 0.00 0.18 0.00 0.00 52.55 54.17 3dfe s ASP 36 Cb -0.07 -2.43 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 3dfe s ASP 36 CO 0.01 0.17 -0.04 0.42 1.18 0.00 0.00 175.17 176.91 3dfe s THR 37 N -0.77 0.29 0.23 -1.27 -4.23 -0.69 -4.90 115.64 104.30 3dfe s THR 37 Ca 0.34 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3dfe s THR 37 Cb -0.21 -1.03 0.03 0.00 1.34 0.00 0.00 72.50 72.63 3dfe s THR 37 CO 0.22 -0.75 0.26 0.61 -0.54 0.00 0.00 174.62 174.43 3dfe n GLY 38 N 0.73 2.31 0.00 3.99 0.00 -1.26 -1.71 105.19 109.25 3dfe n GLY 38 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 3dfe n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfe n GLY 39 N 2.21 1.23 0.00 -0.02 0.00 -1.26 -5.07 105.19 102.28 3dfe n GLY 39 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3dfe n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dfe n ASN 59 N 0.00 0.00 -4.07 1.61 5.03 -0.69 -5.30 115.26 111.83 3dfe n ASN 59 Ca 0.00 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 3dfe n ASN 59 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 3dfe n ASN 59 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3dfe s VAL 60 N -2.08 0.80 -0.20 2.41 0.11 0.54 -1.70 120.40 120.29 3dfe s VAL 60 Ca 0.00 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 3dfe s VAL 60 Cb 0.00 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3dfe s VAL 60 CO 0.00 -0.02 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.86 3dfe s LYS 61 N -0.89 2.41 0.02 1.54 2.20 0.60 -1.74 119.74 123.88 3dfe s LYS 61 Ca -0.00 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 54.60 3dfe s LYS 61 Cb -0.07 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 3dfe s LYS 61 CO 0.01 -0.36 0.36 -0.06 -0.36 0.00 0.00 175.35 174.93 3dfe s PHE 62 N 1.32 3.64 -0.07 4.03 0.40 0.15 -1.31 117.98 126.14 3dfe s PHE 62 Ca 0.00 0.81 0.02 0.00 -0.60 0.00 0.00 56.93 57.16 3dfe s PHE 62 Cb -0.15 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.23 3dfe s PHE 62 CO -0.09 0.60 -0.11 -1.21 0.70 0.00 0.00 175.22 175.10 3dfe s GLU 63 N -1.47 1.67 -0.05 0.44 2.02 -0.37 -1.63 118.70 119.31 3dfe s GLU 63 Ca 0.27 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 3dfe s GLU 63 Cb -0.15 -1.44 0.03 0.00 0.10 0.00 0.00 34.13 32.67 3dfe s GLU 63 CO 0.14 -0.03 0.00 0.08 0.02 0.00 0.00 175.26 175.48 3dfe s VAL 64 N 0.85 0.29 -0.33 2.63 1.01 0.01 -0.97 120.40 123.89 3dfe s VAL 64 Ca -0.11 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 3dfe s VAL 64 Cb -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3dfe s VAL 64 CO 0.01 0.21 0.69 -0.76 0.00 0.00 0.00 175.10 175.26 3dfe s LEU 65 N 1.57 4.17 0.23 3.92 1.43 -1.26 -0.09 118.68 128.65 3dfe s LEU 65 Ca -0.02 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3dfe s LEU 65 Cb -0.13 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 3dfe s LEU 65 CO -0.03 -0.60 0.41 0.42 0.23 0.00 0.00 176.35 176.79 3dfe s THR 66 N 2.81 5.19 0.05 5.49 -4.23 -0.16 -4.79 115.64 119.99 3dfe s THR 66 Ca 0.28 -0.41 -0.25 0.00 -1.18 0.00 0.00 61.69 60.12 3dfe s THR 66 Cb -0.14 -3.76 -0.13 0.00 1.34 0.00 0.00 72.50 69.81 3dfe s THR 66 CO 0.14 -0.24 1.38 1.05 -0.54 0.00 0.00 174.62 176.40 3dfe h GLU 67 N 1.76 -0.77 -5.15 3.99 9.09 -1.95 -3.33 114.58 118.22 3dfe h GLU 67 Ca -0.49 0.05 -0.57 0.00 0.05 0.00 0.00 59.36 58.41 3dfe h GLU 67 Cb 1.20 0.17 -0.13 0.00 -1.65 0.00 0.00 28.75 28.34 3dfe h GLU 67 CO 0.66 -0.51 -0.54 0.54 0.05 0.00 0.00 179.01 179.21 3dfe s ASN 68 N -3.49 3.05 0.12 3.06 2.20 -1.26 -4.75 114.94 113.87 3dfe s ASN 68 Ca -0.13 -1.59 -0.19 0.00 -0.94 0.00 0.00 52.86 50.01 3dfe s ASN 68 Cb 0.02 0.33 -0.06 0.00 -2.00 0.00 0.00 41.25 39.54 3dfe s ASN 68 CO 0.40 -0.82 1.73 -0.09 -2.94 0.00 0.00 177.10 175.38 3dfe h ARG 69 N 1.76 0.33 -0.07 3.55 9.65 -1.98 -3.02 114.38 124.60 3dfe h ARG 69 Ca -0.39 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 3dfe h ARG 69 Cb 1.27 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3dfe h ARG 69 CO 0.65 0.28 0.00 0.39 2.80 0.00 0.00 179.97 184.09 3dfe n GLU 70 N -4.87 0.00 0.00 0.20 4.71 -1.26 -0.93 120.64 118.49 3dfe n GLU 70 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 3dfe n GLU 70 Cb 0.07 -0.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 3dfe n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dfe n ALA 72 N 0.25 0.00 -0.04 0.62 0.00 -1.14 -0.81 120.51 119.39 3dfe n ALA 72 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3dfe n ALA 72 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 3dfe n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dfe h GLU 73 N 0.00 0.66 -0.30 0.00 5.08 -1.34 -2.11 114.58 116.57 3dfe h GLU 73 Ca 0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3dfe h GLU 73 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dfe h GLU 73 CO 0.00 0.92 0.13 0.87 -1.00 0.00 0.00 179.01 179.93 3dfe h LYS 74 N 0.55 0.44 -0.62 2.33 1.79 -1.22 -0.50 116.57 119.33 3dfe h LYS 74 Ca 0.05 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3dfe h LYS 74 Cb 0.88 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 3dfe h LYS 74 CO 0.08 0.43 0.30 0.82 -1.08 0.00 0.00 179.45 179.99 3dfe h ILE 75 N 0.34 1.22 -0.32 1.86 2.04 -1.81 -2.01 117.51 118.83 3dfe h ILE 75 Ca 0.10 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3dfe h ILE 75 Cb 0.14 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3dfe h ILE 75 CO -0.01 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.54 3dfe h ALA 76 N 1.13 0.41 -0.32 1.87 0.00 -1.17 -1.71 119.26 119.46 3dfe h ALA 76 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dfe h ALA 76 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3dfe h ALA 76 CO -0.03 -0.02 0.18 -0.44 0.00 0.00 0.00 179.25 178.94 3dfe h ASP 77 N 0.38 0.40 -0.00 0.00 3.32 -1.01 -1.17 116.42 118.34 3dfe h ASP 77 Ca 0.11 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dfe h ASP 77 Cb 0.12 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3dfe h ASP 77 CO -0.01 0.37 0.00 1.56 -1.72 0.00 0.00 179.24 179.43 3dfe h GLN 78 N 0.40 0.00 -0.13 3.56 4.20 -1.26 -0.12 115.11 121.76 3dfe h GLN 78 Ca 0.11 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.83 3dfe h GLN 78 Cb 0.06 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3dfe h GLN 78 CO -0.02 0.05 0.05 0.28 -0.67 0.00 0.00 178.83 178.53 3dfe h VAL 79 N -0.05 0.99 0.59 -0.54 2.07 -1.25 -0.78 116.25 117.27 3dfe h VAL 79 Ca 0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3dfe h VAL 79 Cb 0.05 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3dfe h VAL 79 CO -0.00 0.02 -0.28 0.00 0.02 0.00 0.00 177.57 177.33 3dfe h ALA 80 N 1.07 -0.79 -0.65 1.67 0.00 -1.13 -0.13 119.26 119.31 3dfe h ALA 80 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3dfe h ALA 80 Cb 0.02 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3dfe h ALA 80 CO -0.05 -0.90 0.38 0.82 0.00 0.00 0.00 179.25 179.51 3dfe h ILE 81 N -0.88 1.03 0.00 0.00 2.04 -1.01 0.23 117.51 118.92 3dfe h ILE 81 Ca -0.08 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.33 3dfe h ILE 81 Cb 0.64 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3dfe h ILE 81 CO 0.13 0.13 -0.88 0.11 0.00 0.00 0.00 178.15 177.64 3dfe h LYS 82 N 0.73 0.20 0.00 2.37 1.57 -1.10 -3.41 116.57 116.93 3dfe h LYS 82 Ca 0.28 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dfe h LYS 82 Cb 0.10 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3dfe h LYS 82 CO -0.14 0.96 -0.64 1.19 -0.57 0.00 0.00 179.45 180.25 3dfe n PHE 83 N -3.66 0.00 1.64 -1.35 3.72 -0.06 -4.80 117.46 112.95 3dfe n PHE 83 Ca -0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.50 3dfe n PHE 83 Cb 0.81 0.00 0.81 0.00 -0.94 0.00 0.00 39.48 40.16 3dfe n PHE 83 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3dfe n PHE 84 N -1.21 0.00 -0.01 1.38 3.01 0.79 0.73 117.46 122.15 3dfe n PHE 84 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 3dfe n PHE 84 Cb 0.00 -0.10 -0.12 0.00 -0.01 0.00 0.00 39.48 39.25 3dfe n PHE 84 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3dfe n THR 85 N -1.10 1.49 -0.01 4.37 -2.24 -1.26 -4.39 114.28 111.14 3dfe n THR 85 Ca 0.19 -0.77 0.11 0.00 -2.27 0.00 0.00 64.05 61.31 3dfe n THR 85 Cb 0.14 -0.94 -0.17 0.00 -2.10 0.00 0.00 70.33 67.26 3dfe n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dfe n ASP 86 N -2.99 0.09 -4.23 3.42 8.00 -0.91 -5.02 116.55 114.91 3dfe n ASP 86 Ca -0.15 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.18 3dfe n ASP 86 Cb 0.99 1.97 -0.11 0.00 -0.02 0.00 0.00 41.12 43.95 3dfe n ASP 86 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dfe s TYR 87 N -3.48 1.34 0.30 1.24 1.51 0.22 -5.14 117.35 113.35 3dfe s TYR 87 Ca -0.08 -0.59 -0.23 0.00 -1.01 0.00 0.00 57.07 55.16 3dfe s TYR 87 Cb 0.14 -0.70 -0.09 0.00 -0.11 0.00 0.00 41.96 41.19 3dfe s TYR 87 CO 0.89 0.12 0.87 0.00 -1.11 0.00 0.00 175.55 176.32 3dfe s ALA 88 N -2.31 3.27 0.00 3.71 0.00 -1.26 -4.34 121.76 120.83 3dfe s ALA 88 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3dfe s ALA 88 Cb -0.04 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3dfe s ALA 88 CO 0.02 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3dfe n GLY 89 N 0.52 1.06 3.02 0.00 0.00 -1.26 -3.68 105.19 104.84 3dfe n GLY 89 Ca 0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 3dfe n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dfe s ILE 90 N -2.00 0.11 -0.02 -0.61 2.07 -0.21 -5.01 121.20 115.53 3dfe s ILE 90 Ca 0.00 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 3dfe s ILE 90 Cb 0.00 -0.33 0.02 0.00 0.13 0.00 0.00 42.46 42.27 3dfe s ILE 90 CO 0.00 -0.48 -0.00 -0.63 -1.91 0.00 0.00 174.94 171.92 3dfe s ILE 91 N -1.50 0.11 0.11 2.00 1.01 -1.26 -1.38 121.20 120.30 3dfe s ILE 91 Ca -0.15 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3dfe s ILE 91 Cb -0.09 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3dfe s ILE 91 CO -0.01 0.09 0.28 -0.72 0.00 0.00 0.00 174.94 174.59 3dfe s TYR 92 N 0.63 0.07 -0.02 3.97 1.13 -0.48 -5.01 117.35 117.65 3dfe s TYR 92 Ca -0.06 -0.45 0.07 0.00 -1.41 0.00 0.00 57.07 55.22 3dfe s TYR 92 Cb -0.09 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.80 3dfe s TYR 92 CO -0.01 -0.63 -0.24 0.42 -2.51 0.00 0.00 175.55 172.57 3dfe s ILE 93 N -3.86 2.20 0.06 -3.49 1.01 -1.26 -0.20 121.20 115.66 3dfe s ILE 93 Ca 0.06 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 59.72 3dfe s ILE 93 Cb 0.04 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3dfe s ILE 93 CO -0.10 0.57 -0.22 0.00 0.00 0.00 0.00 174.94 175.19 3dfe s GLU 95 N -1.33 4.60 0.05 0.00 8.01 -1.26 -0.27 118.70 128.48 3dfe s GLU 95 Ca 0.09 1.59 0.05 0.00 0.01 0.00 0.00 54.97 56.71 3dfe s GLU 95 Cb -0.09 -3.35 -0.02 0.00 -4.31 0.00 0.00 34.13 26.36 3dfe s GLU 95 CO 0.02 0.05 -0.14 0.00 0.01 0.00 0.00 175.26 175.21 3dfe s ALA 96 N 0.24 1.13 -0.29 5.21 0.00 -0.52 -4.87 121.76 122.65 3dfe s ALA 96 Ca 0.50 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3dfe s ALA 96 Cb -0.26 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.76 3dfe s ALA 96 CO 0.31 0.19 -0.03 -2.00 0.00 0.00 0.00 175.76 174.24 3dfe s GLU 97 N -1.27 2.37 -0.10 0.00 2.12 -1.26 -0.41 118.70 120.14 3dfe s GLU 97 Ca 0.00 -1.30 -0.30 0.00 0.36 0.00 0.00 54.97 53.74 3dfe s GLU 97 Cb -0.08 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 3dfe s GLU 97 CO 0.01 -0.61 1.10 0.08 -0.54 0.00 0.00 175.26 175.30 3dfe s VAL 98 N 1.21 4.54 -0.23 3.70 1.01 0.18 -4.88 120.40 125.93 3dfe s VAL 98 Ca -0.06 1.83 -0.03 0.00 0.00 0.00 0.00 61.98 63.72 3dfe s VAL 98 Cb -0.20 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 31.82 3dfe s VAL 98 CO -0.02 -0.02 -0.09 0.18 0.00 0.00 0.00 175.10 175.15 3dfe n LEU 99 N 5.27 2.70 -4.02 3.92 4.32 -1.26 -2.14 117.00 125.80 3dfe n LEU 99 Ca 0.10 0.04 -0.08 0.00 -0.02 0.00 0.00 56.01 56.05 3dfe n LEU 99 Cb 0.47 -0.95 -0.09 0.00 -1.62 0.00 0.00 43.42 41.23 3dfe n LEU 99 CO 0.53 0.84 -0.25 -0.31 -1.22 0.00 0.00 177.39 176.98 3dfe s TYR 100 N -2.52 0.44 0.00 -1.77 2.02 -1.26 -4.96 117.35 109.30 3dfe s TYR 100 Ca -0.32 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 55.46 3dfe s TYR 100 Cb 0.09 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.37 3dfe s TYR 100 CO 0.62 -0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.54