#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfe s LYS 3 N 0.00 -0.00 0.18 -1.46 2.20 -0.86 -4.99 119.74 114.81 3dfe s LYS 3 Ca 0.00 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 3dfe s LYS 3 Cb 0.00 -0.21 -0.07 0.00 -1.51 0.00 0.00 37.83 36.04 3dfe s LYS 3 CO 0.00 -0.15 0.98 1.03 -0.36 0.00 0.00 175.35 176.85 3dfe s ARG 4 N 0.98 4.74 0.17 4.03 1.81 -1.26 -0.51 118.95 128.91 3dfe s ARG 4 Ca -0.08 1.52 -0.00 0.00 -1.72 0.00 0.00 55.73 55.45 3dfe s ARG 4 Cb -0.11 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.03 3dfe s ARG 4 CO -0.03 0.31 0.08 0.00 -0.68 0.00 0.00 175.30 174.98 3dfe s ALA 5 N -0.55 1.13 -0.25 2.13 0.00 0.16 -4.92 121.76 119.46 3dfe s ALA 5 Ca 0.45 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 3dfe s ALA 5 Cb -0.26 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3dfe s ALA 5 CO 0.32 -0.50 0.32 -0.80 0.00 0.00 0.00 175.76 175.10 3dfe s ASN 6 N -3.13 6.25 -0.63 0.00 0.01 -1.25 -1.15 114.94 115.04 3dfe s ASN 6 Ca 0.31 0.28 -0.18 0.00 -0.71 0.00 0.00 52.86 52.56 3dfe s ASN 6 Cb 0.07 -2.19 0.12 0.00 0.41 0.00 0.00 41.25 39.67 3dfe s ASN 6 CO 0.07 -0.09 0.71 -0.75 -1.51 0.00 0.00 177.10 175.52 3dfe s LYS 7 N 1.62 3.13 -0.17 -0.60 2.20 0.60 -0.97 119.74 125.55 3dfe s LYS 7 Ca 0.14 -1.55 -0.28 0.00 -0.36 0.00 0.00 55.97 53.92 3dfe s LYS 7 Cb -0.15 -4.34 -0.01 0.00 -1.51 0.00 0.00 37.83 31.83 3dfe s LYS 7 CO 0.08 -1.50 0.95 -1.17 -0.36 0.00 0.00 175.35 173.36 3dfe s LEU 8 N 2.22 4.18 -0.13 5.43 2.96 0.58 -1.51 118.68 132.41 3dfe s LEU 8 Ca 0.12 1.35 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3dfe s LEU 8 Cb -0.22 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3dfe s LEU 8 CO 0.03 -0.49 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.73 3dfe s VAL 9 N 2.40 2.87 -0.22 1.68 1.01 0.94 -1.24 120.40 127.84 3dfe s VAL 9 Ca 0.43 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3dfe s VAL 9 Cb -0.17 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.06 3dfe s VAL 9 CO 0.12 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 174.98 3dfe s ILE 10 N 0.49 2.04 -0.19 2.22 1.01 -0.60 -1.01 121.20 125.14 3dfe s ILE 10 Ca -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.22 3dfe s ILE 10 Cb -0.16 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3dfe s ILE 10 CO 0.05 0.20 -0.04 -0.69 0.00 0.00 0.00 174.94 174.46 3dfe s VAL 11 N 1.22 3.59 0.14 2.92 1.01 -0.14 -0.86 120.40 128.27 3dfe s VAL 11 Ca -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3dfe s VAL 11 Cb -0.17 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3dfe s VAL 11 CO -0.08 0.45 0.22 1.07 0.00 0.00 0.00 175.10 176.75 3dfe n THR 12 N 4.26 0.00 -2.46 3.92 5.66 -0.59 -1.27 114.28 123.81 3dfe n THR 12 Ca -0.18 -0.56 -0.41 0.00 -3.05 0.00 0.00 64.05 59.86 3dfe n THR 12 Cb 0.52 0.39 -0.04 0.00 -1.55 0.00 0.00 70.33 69.65 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 -2.21 4.60 0.52 1.09 2.02 -1.23 -0.59 118.70 122.91 3dfe s GLU 13 Ca 0.09 1.81 0.24 0.00 0.02 0.00 0.00 54.97 57.13 3dfe s GLU 13 Cb -0.01 -3.21 1.36 0.00 0.10 0.00 0.00 34.13 32.37 3dfe s GLU 13 CO 0.07 0.13 2.01 -0.22 0.02 0.00 0.00 175.26 177.26 3dfe h LYS 14 N 4.27 0.03 -0.26 1.61 3.64 -1.66 -0.79 116.57 123.41 3dfe h LYS 14 Ca -0.46 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 3dfe h LYS 14 Cb 1.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3dfe h LYS 14 CO 0.69 0.02 0.25 -0.39 -2.27 0.00 0.00 179.45 177.74 3dfe h VAL 15 N 0.03 0.56 -0.34 2.00 -1.51 -1.92 -1.61 116.25 113.45 3dfe h VAL 15 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 3dfe h VAL 15 Cb 0.88 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3dfe h VAL 15 CO -0.01 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.51 3dfe n LEU 16 N -3.98 2.02 -0.00 4.19 4.77 -0.30 -4.56 117.00 119.15 3dfe n LEU 16 Ca 0.03 -0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 54.94 3dfe n LEU 16 Cb 0.39 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3dfe n LEU 16 CO 0.30 0.49 0.69 0.25 -1.33 0.00 0.00 177.39 177.79 3dfe h LEU 17 N 2.31 -0.77 -0.28 2.23 6.46 -1.44 0.77 115.31 124.59 3dfe h LEU 17 Ca 0.00 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3dfe h LEU 17 Cb 0.52 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 3dfe h LEU 17 CO 0.00 -0.30 0.10 0.11 -0.62 0.00 0.00 178.44 177.73 3dfe h LYS 18 N -0.31 0.42 -0.17 1.25 1.57 -1.84 -0.52 116.57 116.98 3dfe h LYS 18 Ca 0.10 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dfe h LYS 18 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3dfe h LYS 18 CO -0.31 0.47 0.09 0.87 -0.57 0.00 0.00 179.45 179.99 3dfe h LYS 19 N 0.29 0.23 -0.50 3.15 6.56 -1.77 -1.66 116.57 122.87 3dfe h LYS 19 Ca 0.09 -0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.54 3dfe h LYS 19 Cb 0.21 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 3dfe h LYS 19 CO -0.00 0.24 -0.12 0.28 -2.06 0.00 0.00 179.45 177.79 3dfe h VAL 20 N 0.17 1.27 -0.77 0.50 2.07 -0.84 -2.64 116.25 116.00 3dfe h VAL 20 Ca 0.06 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3dfe h VAL 20 Cb 0.07 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3dfe h VAL 20 CO -0.01 0.44 0.47 0.00 0.02 0.00 0.00 177.57 178.49 3dfe h ALA 21 N 1.02 1.04 -0.83 1.67 0.00 -0.93 -1.39 119.26 119.86 3dfe h ALA 21 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dfe h ALA 21 Cb 0.66 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3dfe h ALA 21 CO 0.05 0.21 0.40 -0.22 0.00 0.00 0.00 179.25 179.69 3dfe h LYS 22 N 0.88 1.18 -0.48 0.00 3.64 -1.05 -1.75 116.57 119.00 3dfe h LYS 22 Ca 0.33 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3dfe h LYS 22 Cb 0.13 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3dfe h LYS 22 CO -0.16 0.91 0.14 0.82 -2.27 0.00 0.00 179.45 178.89 3dfe h ILE 23 N 1.17 1.23 0.19 2.00 2.04 -1.06 0.27 117.51 123.35 3dfe h ILE 23 Ca 0.28 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3dfe h ILE 23 Cb 0.11 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dfe h ILE 23 CO -0.04 0.28 -0.12 0.40 0.00 0.00 0.00 178.15 178.67 3dfe h ILE 24 N 0.64 0.74 -0.19 -0.67 2.04 -1.02 -1.10 117.51 117.96 3dfe h ILE 24 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3dfe h ILE 24 Cb 0.29 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3dfe h ILE 24 CO -0.00 0.00 0.12 -0.33 0.00 0.00 0.00 178.15 177.94 3dfe h GLU 25 N -0.30 0.25 0.00 2.37 5.08 -1.23 -2.34 114.58 118.40 3dfe h GLU 25 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3dfe h GLU 25 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dfe h GLU 25 CO 0.02 0.17 -0.08 0.93 -1.00 0.00 0.00 179.01 179.05 3dfe h GLU 26 N 0.24 0.00 0.00 2.33 5.08 -0.86 -1.37 114.58 120.00 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 -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3dfe h GLU 26 CO -0.01 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 3dfe h ALA 27 N 1.92 1.00 0.00 3.43 0.00 -0.69 -3.46 119.26 121.46 3dfe h ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dfe h ALA 27 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dfe h ALA 27 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3dfe n GLY 28 N 0.37 1.06 3.73 0.00 0.00 -0.52 -5.06 105.19 104.78 3dfe n GLY 28 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3dfe n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfe n ALA 29 N -1.82 2.61 0.21 4.61 0.00 -0.94 -4.88 120.51 120.31 3dfe n ALA 29 Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.93 3dfe n ALA 29 Cb 0.00 -2.48 0.31 0.00 0.00 0.00 0.00 19.45 17.28 3dfe n ALA 29 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3dfe h THR 30 N 3.52 0.37 -1.56 0.00 1.35 -1.90 -3.44 112.91 111.25 3dfe h THR 30 Ca -0.45 -1.25 0.32 0.00 -0.55 0.00 0.00 66.41 64.48 3dfe h THR 30 Cb 1.22 1.95 -0.11 0.00 -1.73 0.00 0.00 68.15 69.47 3dfe h THR 30 CO 0.86 0.18 0.81 -0.83 -0.25 0.00 0.00 175.52 176.29 3dfe s GLY 31 N -4.29 -0.38 -0.01 5.82 0.00 -1.26 -5.16 107.32 102.05 3dfe s GLY 31 Ca 0.03 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.06 3dfe s GLY 31 CO 0.66 0.50 0.90 -2.52 0.00 0.00 0.00 173.10 172.64 3dfe s TYR 32 N -2.45 -0.33 0.02 1.90 -0.85 -1.26 -4.46 117.35 109.91 3dfe s TYR 32 Ca 0.15 0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.93 3dfe s TYR 32 Cb 0.04 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 3dfe s TYR 32 CO -0.03 -0.54 -0.04 0.99 -1.52 0.00 0.00 175.55 174.40 3dfe s THR 33 N -3.10 3.80 -0.04 -3.49 2.01 -0.11 -4.97 115.64 109.75 3dfe s THR 33 Ca 0.05 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 3dfe s THR 33 Cb -0.01 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.84 3dfe s THR 33 CO -0.09 0.35 0.08 0.54 -0.69 0.00 0.00 174.62 174.81 3dfe s VAL 34 N -1.06 -0.05 0.11 3.82 0.11 -1.26 -1.27 120.40 120.80 3dfe s VAL 34 Ca 0.19 0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 3dfe s VAL 34 Cb -0.11 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 3dfe s VAL 34 CO 0.10 0.07 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.13 3dfe s VAL 35 N 1.02 1.15 0.07 2.04 1.01 -0.26 -4.95 120.40 120.48 3dfe s VAL 35 Ca -0.08 -1.65 -0.22 0.00 0.00 0.00 0.00 61.98 60.03 3dfe s VAL 35 Cb -0.11 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 3dfe s VAL 35 CO -0.04 -0.46 0.65 -1.81 0.00 0.00 0.00 175.10 173.44 3dfe s ASP 36 N -2.38 7.13 0.03 3.32 1.11 -1.26 -0.62 116.67 124.00 3dfe s ASP 36 Ca 0.06 1.34 -0.00 0.00 0.18 0.00 0.00 52.55 54.13 3dfe s ASP 36 Cb -0.05 -2.41 -0.03 0.00 1.07 0.00 0.00 42.92 41.51 3dfe s ASP 36 CO 0.02 0.18 -0.03 0.42 1.18 0.00 0.00 175.17 176.93 3dfe s THR 37 N -0.72 0.17 0.11 -1.27 -4.23 -0.85 -4.91 115.64 103.95 3dfe s THR 37 Ca 0.32 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 3dfe s THR 37 Cb -0.20 -0.82 0.02 0.00 1.34 0.00 0.00 72.50 72.84 3dfe s THR 37 CO 0.21 -0.72 0.14 0.61 -0.54 0.00 0.00 174.62 174.32 3dfe n GLY 38 N 0.94 2.16 0.00 3.99 0.00 -1.26 -1.67 105.19 109.35 3dfe n GLY 38 Ca -0.20 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 3.60 2.07 3.98 -0.02 0.00 -1.26 -4.88 105.19 108.67 3dfe n GLY 39 Ca 0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 3dfe n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dfe s SER 58 N 0.00 5.29 0.43 1.61 0.15 -1.26 -5.29 113.70 114.64 3dfe s SER 58 Ca 0.00 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.66 3dfe s SER 58 Cb 0.00 -0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 3dfe s SER 58 CO 0.00 -1.12 0.19 0.20 1.20 0.00 0.00 173.24 173.71 3dfe s ASN 59 N -4.42 4.42 0.01 5.45 0.01 -0.67 -2.10 114.94 117.63 3dfe s ASN 59 Ca 0.57 -1.13 0.01 0.00 -0.71 0.00 0.00 52.86 51.61 3dfe s ASN 59 Cb -0.10 -0.35 -0.01 0.00 0.41 0.00 0.00 41.25 41.20 3dfe s ASN 59 CO 0.38 -0.60 -0.05 0.54 -1.51 0.00 0.00 177.10 175.86 3dfe s VAL 60 N -2.63 0.35 -0.17 1.60 0.11 0.24 -2.00 120.40 117.90 3dfe s VAL 60 Ca 0.39 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 3dfe s VAL 60 Cb 0.03 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 3dfe s VAL 60 CO 0.21 -0.01 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.03 3dfe s LYS 61 N -0.40 2.91 -0.07 1.54 2.20 0.21 -1.54 119.74 124.58 3dfe s LYS 61 Ca -0.01 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.75 3dfe s LYS 61 Cb -0.03 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 3dfe s LYS 61 CO -0.00 -0.20 0.16 -0.06 -0.36 0.00 0.00 175.35 174.89 3dfe s PHE 62 N 1.28 3.57 -0.07 4.03 0.40 -0.04 -1.10 117.98 126.05 3dfe s PHE 62 Ca 0.04 0.45 0.02 0.00 -0.60 0.00 0.00 56.93 56.85 3dfe s PHE 62 Cb -0.13 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.52 3dfe s PHE 62 CO -0.12 0.70 -0.12 -1.21 0.70 0.00 0.00 175.22 175.17 3dfe s GLU 63 N -1.41 1.69 -0.05 0.44 2.02 -0.39 -1.56 118.70 119.44 3dfe s GLU 63 Ca 0.20 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 3dfe s GLU 63 Cb -0.12 -1.41 0.03 0.00 0.10 0.00 0.00 34.13 32.73 3dfe s GLU 63 CO 0.10 0.02 0.02 0.08 0.02 0.00 0.00 175.26 175.50 3dfe s VAL 64 N 0.70 0.13 -0.34 2.63 1.01 -0.38 -0.93 120.40 123.22 3dfe s VAL 64 Ca -0.14 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 3dfe s VAL 64 Cb -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3dfe s VAL 64 CO 0.03 0.20 0.74 -0.76 0.00 0.00 0.00 175.10 175.31 3dfe s LEU 65 N 1.79 4.15 0.23 3.92 1.43 -1.26 -0.30 118.68 128.63 3dfe s LEU 65 Ca 0.01 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3dfe s LEU 65 Cb -0.12 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3dfe s LEU 65 CO -0.03 -0.65 0.42 0.42 0.23 0.00 0.00 176.35 176.74 3dfe s THR 66 N 2.93 5.17 0.08 5.49 -4.23 -0.15 -4.79 115.64 120.15 3dfe s THR 66 Ca 0.29 -0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 60.16 3dfe s THR 66 Cb -0.14 -3.75 -0.17 0.00 1.34 0.00 0.00 72.50 69.78 3dfe s THR 66 CO 0.15 -0.23 1.65 1.05 -0.54 0.00 0.00 174.62 176.70 3dfe h GLU 67 N 1.82 -0.67 -4.90 3.99 9.09 -1.96 -3.33 114.58 118.63 3dfe h GLU 67 Ca -0.48 0.05 -0.44 0.00 0.05 0.00 0.00 59.36 58.53 3dfe h GLU 67 Cb 1.19 0.15 -0.14 0.00 -1.65 0.00 0.00 28.75 28.31 3dfe h GLU 67 CO 0.67 -0.45 -0.54 0.54 0.05 0.00 0.00 179.01 179.28 3dfe s ASN 68 N -4.59 1.71 0.12 3.06 2.20 -1.26 -4.84 114.94 111.35 3dfe s ASN 68 Ca -0.17 -1.61 -0.19 0.00 -0.94 0.00 0.00 52.86 49.96 3dfe s ASN 68 Cb 0.04 0.43 -0.06 0.00 -2.00 0.00 0.00 41.25 39.67 3dfe s ASN 68 CO 0.63 -0.92 1.78 -0.09 -2.94 0.00 0.00 177.10 175.55 3dfe h ARG 69 N 2.15 0.30 -0.03 3.55 9.65 -1.98 -2.99 114.38 125.03 3dfe h ARG 69 Ca -0.32 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 3dfe h ARG 69 Cb 1.25 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3dfe h ARG 69 CO 0.50 0.21 0.00 0.39 2.80 0.00 0.00 179.97 183.86 3dfe n GLU 70 N -4.93 0.00 0.00 0.20 1.02 -1.26 -0.94 120.64 114.74 3dfe n GLU 70 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3dfe n GLU 70 Cb 0.03 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3dfe n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dfe n ALA 72 N 0.16 0.00 -0.05 0.62 0.00 -1.13 -1.02 120.51 119.09 3dfe n ALA 72 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3dfe n ALA 72 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.67 -0.16 0.00 5.08 -1.35 -1.83 114.58 117.00 3dfe h GLU 73 Ca 0.00 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3dfe h GLU 73 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3dfe h GLU 73 CO 0.00 0.84 0.07 0.87 -1.00 0.00 0.00 179.01 179.79 3dfe h LYS 74 N 0.59 0.23 -0.54 2.33 1.57 -1.32 0.27 116.57 119.70 3dfe h LYS 74 Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3dfe h LYS 74 Cb 0.71 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3dfe h LYS 74 CO 0.05 0.29 0.35 0.82 -0.57 0.00 0.00 179.45 180.40 3dfe h ILE 75 N 0.12 1.13 -0.18 1.86 2.04 -1.80 -2.14 117.51 118.53 3dfe h ILE 75 Ca 0.05 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3dfe h ILE 75 Cb 0.14 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3dfe h ILE 75 CO -0.01 0.13 0.10 0.00 0.00 0.00 0.00 178.15 178.37 3dfe h ALA 76 N 1.20 0.23 -0.74 1.87 0.00 -1.12 -1.44 119.26 119.27 3dfe h ALA 76 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dfe h ALA 76 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3dfe h ALA 76 CO -0.05 -0.22 0.47 -0.44 0.00 0.00 0.00 179.25 179.01 3dfe h ASP 77 N 0.18 0.87 -0.23 0.00 3.32 -0.82 -0.67 116.42 119.06 3dfe h ASP 77 Ca 0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3dfe h ASP 77 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3dfe h ASP 77 CO -0.01 0.65 -0.00 1.56 -1.72 0.00 0.00 179.24 179.71 3dfe h GLN 78 N 1.01 0.41 -0.12 3.56 4.20 -1.23 -0.43 115.11 122.52 3dfe h GLN 78 Ca 0.27 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3dfe h GLN 78 Cb -0.08 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3dfe h GLN 78 CO -0.06 0.60 0.05 0.28 -0.67 0.00 0.00 178.83 179.04 3dfe h VAL 79 N 0.18 1.13 0.36 -0.54 2.07 -1.14 -1.83 116.25 116.48 3dfe h VAL 79 Ca 0.07 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3dfe h VAL 79 Cb 0.42 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3dfe h VAL 79 CO 0.01 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 177.55 3dfe h ALA 80 N 0.91 -0.48 -0.54 1.67 0.00 -1.11 -0.90 119.26 118.81 3dfe h ALA 80 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dfe h ALA 80 Cb 0.14 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3dfe h ALA 80 CO -0.00 -0.69 0.27 0.82 0.00 0.00 0.00 179.25 179.65 3dfe h ILE 81 N -0.64 1.20 -0.02 0.00 2.04 -1.15 -0.72 117.51 118.21 3dfe h ILE 81 Ca -0.05 -0.54 -0.15 0.00 1.00 0.00 0.00 64.86 65.12 3dfe h ILE 81 Cb 0.46 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3dfe h ILE 81 CO 0.08 0.22 -0.70 0.50 0.00 0.00 0.00 178.15 178.25 3dfe h LYS 82 N 0.73 0.09 0.00 2.37 1.63 -1.32 -3.41 116.57 116.66 3dfe h LYS 82 Ca 0.19 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3dfe h LYS 82 Cb 0.10 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3dfe h LYS 82 CO -0.03 0.75 -0.78 1.19 -3.45 0.00 0.00 179.45 177.13 3dfe n PHE 83 N -3.75 0.00 0.95 1.91 3.72 -0.35 -4.87 117.46 115.07 3dfe n PHE 83 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3dfe n PHE 83 Cb 0.68 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.78 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 -1.22 0.00 0.15 1.38 3.01 -0.29 -0.71 117.46 119.78 3dfe n PHE 84 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 3dfe n PHE 84 Cb 0.04 -0.44 0.17 0.00 -0.01 0.00 0.00 39.48 39.24 3dfe n PHE 84 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dfe h THR 85 N 0.00 1.01 0.00 4.37 1.35 -1.86 -3.38 112.91 114.40 3dfe h THR 85 Ca 0.00 -2.01 -0.22 0.00 -0.55 0.00 0.00 66.41 63.64 3dfe h THR 85 Cb 0.37 2.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.96 3dfe h THR 85 CO 0.00 0.49 -1.82 0.47 -0.25 0.00 0.00 175.52 174.42 3dfe n ASP 86 N -3.43 2.43 -4.57 5.36 8.00 -0.83 -5.03 116.55 118.48 3dfe n ASP 86 Ca 0.00 -0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.22 3dfe n ASP 86 Cb 0.64 0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 42.01 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 -2.29 2.58 0.45 1.24 1.51 0.11 -5.13 117.35 115.83 3dfe s TYR 87 Ca -0.12 -0.25 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 3dfe s TYR 87 Cb 0.04 -1.21 -0.10 0.00 -0.11 0.00 0.00 41.96 40.58 3dfe s TYR 87 CO 0.42 0.57 0.96 0.00 -1.11 0.00 0.00 175.55 176.38 3dfe s ALA 88 N -1.97 3.05 0.00 3.71 0.00 -1.26 -4.29 121.76 120.99 3dfe s ALA 88 Ca 0.27 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3dfe s ALA 88 Cb -0.08 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3dfe s ALA 88 CO 0.16 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3dfe n GLY 89 N -0.87 2.50 3.21 0.00 0.00 -1.26 -3.49 105.19 105.28 3dfe n GLY 89 Ca 0.07 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 3dfe n GLY 89 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dfe s ILE 90 N -2.00 1.26 -0.05 -0.61 -4.36 -0.39 -5.00 121.20 110.05 3dfe s ILE 90 Ca 0.00 -1.48 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 3dfe s ILE 90 Cb 0.00 -1.29 0.02 0.00 1.25 0.00 0.00 42.46 42.44 3dfe s ILE 90 CO 0.00 -0.27 -0.04 -0.63 0.24 0.00 0.00 174.94 174.24 3dfe s ILE 91 N -1.55 0.53 0.22 8.37 1.01 -1.26 -0.97 121.20 127.55 3dfe s ILE 91 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 3dfe s ILE 91 Cb -0.08 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 3dfe s ILE 91 CO 0.03 0.24 0.25 -0.72 0.00 0.00 0.00 174.94 174.74 3dfe s TYR 92 N 1.15 0.94 -0.03 3.97 1.13 -0.18 -4.99 117.35 119.32 3dfe s TYR 92 Ca -0.07 -1.19 0.05 0.00 -1.41 0.00 0.00 57.07 54.44 3dfe s TYR 92 Cb -0.14 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.39 3dfe s TYR 92 CO -0.01 -0.77 -0.18 0.42 -2.51 0.00 0.00 175.55 172.50 3dfe s ILE 93 N -4.05 1.43 0.03 -3.49 1.01 -1.26 -0.04 121.20 114.83 3dfe s ILE 93 Ca 0.34 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3dfe s ILE 93 Cb 0.04 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 3dfe s ILE 93 CO 0.12 0.41 -0.22 0.00 0.00 0.00 0.00 174.94 175.25 3dfe s GLU 95 N -1.04 4.60 0.05 0.00 2.12 -1.26 -0.30 118.70 122.88 3dfe s GLU 95 Ca 0.08 1.45 0.08 0.00 0.36 0.00 0.00 54.97 56.94 3dfe s GLU 95 Cb -0.09 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 3dfe s GLU 95 CO 0.01 0.03 -0.21 0.00 -0.54 0.00 0.00 175.26 174.55 3dfe s ALA 96 N 0.66 1.82 -0.35 6.30 0.00 -0.30 -4.90 121.76 124.99 3dfe s ALA 96 Ca 0.51 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3dfe s ALA 96 Cb -0.22 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.62 3dfe s ALA 96 CO 0.29 0.40 0.12 -2.00 0.00 0.00 0.00 175.76 174.57 3dfe s GLU 97 N -1.32 2.49 -0.07 0.00 2.12 -1.26 -0.66 118.70 120.00 3dfe s GLU 97 Ca 0.08 -1.33 -0.30 0.00 0.36 0.00 0.00 54.97 53.78 3dfe s GLU 97 Cb -0.09 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3dfe s GLU 97 CO 0.02 -0.76 1.04 0.08 -0.54 0.00 0.00 175.26 175.10 3dfe s VAL 98 N 1.34 4.70 -0.26 3.70 1.01 0.33 -4.88 120.40 126.33 3dfe s VAL 98 Ca -0.00 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 3dfe s VAL 98 Cb -0.21 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 3dfe s VAL 98 CO 0.01 0.04 -0.33 0.18 0.00 0.00 0.00 175.10 175.00 3dfe n LEU 99 N 4.74 1.90 -4.18 3.92 4.32 -1.26 -2.02 117.00 124.41 3dfe n LEU 99 Ca 0.08 0.29 -0.19 0.00 -0.02 0.00 0.00 56.01 56.17 3dfe n LEU 99 Cb 0.49 -0.77 -0.12 0.00 -1.62 0.00 0.00 43.42 41.40 3dfe n LEU 99 CO 0.53 0.56 -0.47 -0.31 -1.22 0.00 0.00 177.39 176.48 3dfe s TYR 100 N -2.48 1.30 0.00 -1.77 2.02 -1.26 -4.82 117.35 110.34 3dfe s TYR 100 Ca -0.36 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 3dfe s TYR 100 Cb 0.14 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 3dfe s TYR 100 CO 0.46 0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.93