#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6d n ALA 2 N 0.00 4.31 -3.08 -5.12 0.00 -1.26 -2.54 120.51 112.82 1i6d n ALA 2 Ca 0.00 -4.68 -0.39 0.00 0.00 0.00 0.00 53.44 48.37 1i6d n ALA 2 Cb 0.00 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.03 1i6d n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6d s ASP 3 N 0.57 5.46 0.39 0.00 -1.08 -1.26 -4.91 116.67 115.83 1i6d s ASP 3 Ca 0.31 -1.07 0.21 0.00 -0.52 0.00 0.00 52.55 51.47 1i6d s ASP 3 Cb -0.07 -1.92 0.61 0.00 -1.46 0.00 0.00 42.92 40.08 1i6d s ASP 3 CO -0.06 -0.34 1.69 1.55 0.52 0.00 0.00 175.17 178.53 1i6d h PRO 4 N 8.30 0.00 -0.10 4.34 0.13 -1.86 -1.20 132.00 141.60 1i6d h PRO 4 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1i6d h PRO 4 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 4 CO 0.63 0.31 0.04 0.00 -0.23 0.00 0.00 178.00 178.75 1i6d h ALA 5 N 1.69 0.14 -0.85 -0.56 0.00 -1.95 -1.21 119.26 116.50 1i6d h ALA 5 Ca -0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1i6d h ALA 5 Cb 0.96 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1i6d h ALA 5 CO 0.04 -0.27 0.51 0.00 0.00 0.00 0.00 179.25 179.53 1i6d h ALA 6 N 0.87 1.21 -0.79 0.00 0.00 -1.93 -3.19 119.26 115.42 1i6d h ALA 6 Ca 0.03 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1i6d h ALA 6 Cb 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1i6d h ALA 6 CO -0.00 0.17 0.52 0.78 0.00 0.00 0.00 179.25 180.72 1i6d h GLY 7 N 0.87 0.96 0.83 0.00 0.00 -1.01 -1.63 103.07 103.09 1i6d h GLY 7 Ca 0.40 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1i6d h GLY 7 CO -0.22 0.12 0.30 -2.09 0.00 0.00 0.00 176.54 174.64 1i6d h GLU 8 N 0.62 0.57 -0.39 4.80 4.81 -1.21 0.81 114.58 124.58 1i6d h GLU 8 Ca 0.38 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1i6d h GLU 8 Cb 0.62 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1i6d h GLU 8 CO -0.15 0.38 0.14 0.87 -0.73 0.00 0.00 179.01 179.52 1i6d h LYS 9 N 0.59 0.29 -0.58 1.92 1.57 -1.48 -2.81 116.57 116.07 1i6d h LYS 9 Ca 0.22 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1i6d h LYS 9 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1i6d h LYS 9 CO -0.11 0.19 0.38 0.28 -0.57 0.00 0.00 179.45 179.62 1i6d h VAL 10 N 0.30 1.15 0.00 0.50 2.07 -1.23 -2.80 116.25 116.24 1i6d h VAL 10 Ca 0.18 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1i6d h VAL 10 Cb 0.16 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1i6d h VAL 10 CO -0.18 0.14 0.01 0.33 0.02 0.00 0.00 177.57 177.89 1i6d n PHE 11 N -4.68 0.28 -0.32 1.57 7.35 0.27 -2.23 117.46 119.69 1i6d n PHE 11 Ca 0.04 0.15 0.24 0.00 -0.76 0.00 0.00 57.45 57.11 1i6d n PHE 11 Cb 0.02 -0.73 0.53 0.00 0.35 0.00 0.00 39.48 39.65 1i6d n PHE 11 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1i6d h GLY 12 N 0.00 1.13 2.00 7.13 0.00 -1.23 -0.47 103.07 111.63 1i6d h GLY 12 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1i6d h GLY 12 CO 0.00 -0.13 -0.12 0.50 0.00 0.00 0.00 176.54 176.79 1i6d h LYS 13 N 0.36 0.00 0.07 4.80 1.57 -1.66 -3.37 116.57 118.33 1i6d h LYS 13 Ca 0.59 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 59.00 1i6d h LYS 13 Cb 1.56 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.83 1i6d h LYS 13 CO -0.28 0.12 -2.20 0.00 -0.57 0.00 0.00 179.45 176.52 1i6d h LYS 15 N 0.04 0.00 -0.67 0.00 2.10 -1.31 -1.39 116.57 115.33 1i6d h LYS 15 Ca -0.49 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.18 1i6d h LYS 15 Cb 1.99 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.28 1i6d h LYS 15 CO 0.01 0.00 0.45 0.00 -2.00 0.00 0.00 179.45 177.91 1i6d h ALA 16 N 1.75 1.57 0.05 0.07 0.00 -1.84 -3.34 119.26 117.53 1i6d h ALA 16 Ca 0.14 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.63 1i6d h ALA 16 Cb 0.67 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1i6d h ALA 16 CO -0.00 0.38 -2.28 0.00 0.00 0.00 0.00 179.25 177.35 1i6d s HIS 18 N -2.53 2.86 -0.21 0.00 3.76 -0.58 -1.38 115.29 117.21 1i6d s HIS 18 Ca -0.30 -0.19 -0.04 0.00 -0.15 0.00 0.00 55.06 54.38 1i6d s HIS 18 Cb 0.08 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 1i6d s HIS 18 CO 0.67 0.14 -0.05 0.15 -0.85 0.00 0.00 174.74 174.80 1i6d s LYS 19 N -0.42 3.40 0.12 1.40 1.02 -1.26 -4.19 119.74 119.82 1i6d s LYS 19 Ca 0.06 -0.62 0.27 0.00 0.02 0.00 0.00 55.97 55.69 1i6d s LYS 19 Cb -0.12 -2.98 0.98 0.00 -0.52 0.00 0.00 37.83 35.18 1i6d s LYS 19 CO 0.02 -0.14 1.83 1.28 -0.92 0.00 0.00 175.35 177.42 1i6d n LEU 20 N 4.64 0.47 -2.82 3.17 4.77 -1.26 -3.69 117.00 122.28 1i6d n LEU 20 Ca -0.18 0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 56.05 1i6d n LEU 20 Cb 0.51 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1i6d n LEU 20 CO 0.29 -0.12 2.19 0.47 -1.33 0.00 0.00 177.39 178.89 1i6d n ASP 21 N -1.95 7.10 -3.71 -1.43 8.00 -1.26 -4.55 116.55 118.75 1i6d n ASP 21 Ca 0.06 -2.89 -0.28 0.00 0.71 0.00 0.00 54.79 52.39 1i6d n ASP 21 Cb 0.38 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1i6d n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6d n GLY 22 N 2.04 -0.48 3.11 0.44 0.00 -1.26 -5.01 105.19 104.02 1i6d n GLY 22 Ca 0.57 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.55 1i6d n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6d s ASN 23 N -3.03 1.40 -0.29 1.61 0.01 -1.26 -5.01 114.94 108.37 1i6d s ASN 23 Ca 0.56 -0.44 -0.05 0.00 -0.71 0.00 0.00 52.86 52.22 1i6d s ASN 23 Cb -0.29 -0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.32 1i6d s ASN 23 CO 0.69 -0.01 0.05 -1.81 -1.51 0.00 0.00 177.10 174.51 1i6d s ASP 24 N -1.12 4.97 0.00 -1.22 1.11 -1.26 -3.27 116.67 115.88 1i6d s ASP 24 Ca -0.01 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 51.85 1i6d s ASP 24 Cb -0.08 -1.82 0.00 0.00 1.07 0.00 0.00 42.92 42.10 1i6d s ASP 24 CO 0.01 -0.21 0.00 0.61 1.18 0.00 0.00 175.17 176.76 1i6d n GLY 25 N 4.79 0.73 0.09 0.21 0.00 -1.26 -4.97 105.19 104.78 1i6d n GLY 25 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1i6d n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6d h VAL 26 N 0.00 0.91 -2.71 1.61 2.07 -1.82 -3.46 116.25 112.84 1i6d h VAL 26 Ca 0.00 -1.52 -0.45 0.00 0.82 0.00 0.00 66.70 65.56 1i6d h VAL 26 Cb 0.00 1.66 0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1i6d h VAL 26 CO 0.00 0.29 -0.03 -0.83 0.02 0.00 0.00 177.57 177.02 1i6d s GLY 27 N -3.69 1.73 1.17 2.17 0.00 -0.48 -5.02 107.32 103.19 1i6d s GLY 27 Ca -0.11 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 1i6d s GLY 27 CO 0.40 -0.93 1.09 2.56 0.00 0.00 0.00 173.10 176.21 1i6d s PRO 28 N -4.74 -0.96 -0.24 2.90 0.04 -1.26 -4.57 135.00 126.17 1i6d s PRO 28 Ca 0.54 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 1i6d s PRO 28 Cb -0.10 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 1i6d s PRO 28 CO 0.39 -3.57 1.70 -3.38 0.04 0.00 0.00 177.00 172.17 1i6d s HIS 29 N -2.92 1.96 -1.66 0.56 -3.43 -1.20 -4.10 115.29 104.50 1i6d s HIS 29 Ca 0.69 0.53 0.30 0.00 -0.80 0.00 0.00 55.06 55.78 1i6d s HIS 29 Cb -0.13 -4.04 1.55 0.00 -1.43 0.00 0.00 32.58 28.53 1i6d s HIS 29 CO 0.57 -3.07 2.05 1.28 -2.00 0.00 0.00 174.74 173.57 1i6d n LEU 30 N 9.05 0.15 -4.62 5.38 4.77 -1.24 -4.80 117.00 125.68 1i6d n LEU 30 Ca 0.20 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1i6d n LEU 30 Cb 0.46 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1i6d n LEU 30 CO 0.66 0.03 1.36 0.54 -1.33 0.00 0.00 177.39 178.64 1i6d s ASN 31 N -2.38 6.34 -0.27 -1.43 4.22 -1.26 -2.58 114.94 117.58 1i6d s ASN 31 Ca 0.34 1.48 -0.02 0.00 -2.14 0.00 0.00 52.86 52.53 1i6d s ASN 31 Cb 0.21 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.21 1i6d s ASN 31 CO 0.44 -1.31 0.24 0.61 -2.04 0.00 0.00 177.10 175.03 1i6d n GLY 32 N 4.75 0.65 0.08 0.45 0.00 -1.18 -4.86 105.19 105.08 1i6d n GLY 32 Ca 0.19 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1i6d n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i6d h VAL 33 N -0.54 1.00 -2.99 1.61 3.04 -1.81 -3.41 116.25 113.15 1i6d h VAL 33 Ca -0.11 -2.73 -0.57 0.00 -1.01 0.00 0.00 66.70 62.27 1i6d h VAL 33 Cb 1.07 2.46 -0.04 0.00 -2.01 0.00 0.00 31.29 32.77 1i6d h VAL 33 CO 0.11 0.57 1.14 -0.69 -1.01 0.00 0.00 177.57 177.69 1i6d s VAL 34 N -2.70 3.75 0.00 1.51 1.01 -1.26 -1.52 120.40 121.19 1i6d s VAL 34 Ca -0.02 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1i6d s VAL 34 Cb 0.09 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1i6d s VAL 34 CO 0.82 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1i6d n GLY 35 N 5.06 1.39 3.78 4.51 0.00 0.41 -4.99 105.19 115.35 1i6d n GLY 35 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1i6d n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i6d s ARG 36 N -0.74 4.52 0.31 1.61 3.52 -0.58 -4.40 118.95 123.20 1i6d s ARG 36 Ca 0.00 1.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.69 1i6d s ARG 36 Cb 0.00 -2.78 -0.12 0.00 -1.56 0.00 0.00 34.95 30.49 1i6d s ARG 36 CO 0.00 0.21 1.38 2.41 -0.81 0.00 0.00 175.30 178.49 1i6d n THR 37 N 0.49 1.62 -2.21 4.11 -1.04 -1.26 -0.24 114.28 115.75 1i6d n THR 37 Ca 0.02 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.05 61.20 1i6d n THR 37 Cb 0.50 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 1i6d n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6d s VAL 38 N -0.71 3.67 -1.49 12.58 1.01 -0.07 -1.30 120.40 134.09 1i6d s VAL 38 Ca 0.59 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1i6d s VAL 38 Cb -0.57 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1i6d s VAL 38 CO 0.58 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.68 1i6d n ALA 39 N 5.28 -0.21 -1.75 5.51 0.00 -1.26 -4.62 120.51 123.45 1i6d n ALA 39 Ca 0.13 0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1i6d n ALA 39 Cb 0.43 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1i6d n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6d n GLY 40 N -0.75 4.79 2.73 0.00 0.00 -0.42 -4.72 105.19 106.82 1i6d n GLY 40 Ca -0.14 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1i6d n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6d s VAL 41 N -1.63 0.80 -0.62 1.61 1.01 -1.26 -4.85 120.40 115.47 1i6d s VAL 41 Ca 0.56 -1.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1i6d s VAL 41 Cb 0.28 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1i6d s VAL 41 CO -0.15 -0.58 1.55 -1.81 0.00 0.00 0.00 175.10 174.10 1i6d s ASP 42 N 1.67 5.83 0.00 3.32 1.01 -1.26 -2.58 116.67 124.65 1i6d s ASP 42 Ca 0.07 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.49 1i6d s ASP 42 Cb -0.17 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1i6d s ASP 42 CO -0.22 -1.98 0.00 0.61 0.21 0.00 0.00 175.17 173.79 1i6d n GLY 43 N 5.45 3.05 3.73 0.21 0.00 -1.26 -5.13 105.19 111.24 1i6d n GLY 43 Ca 0.13 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1i6d n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6d s PHE 44 N 0.00 3.60 -0.99 1.61 5.36 -1.07 -5.04 117.98 121.46 1i6d s PHE 44 Ca 0.00 1.22 -0.22 0.00 -0.96 0.00 0.00 56.93 56.98 1i6d s PHE 44 Cb 0.00 -2.75 0.08 0.00 -0.34 0.00 0.00 43.02 40.01 1i6d s PHE 44 CO 0.00 0.16 1.35 1.21 -1.46 0.00 0.00 175.22 176.48 1i6d s ASN 45 N 0.54 6.55 0.59 6.13 2.47 -1.26 -4.90 114.94 125.06 1i6d s ASN 45 Ca 0.35 -1.65 -0.16 0.00 0.42 0.00 0.00 52.86 51.82 1i6d s ASN 45 Cb -0.18 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.07 1i6d s ASN 45 CO 0.18 -1.36 1.07 -0.31 -3.72 0.00 0.00 177.10 172.95 1i6d s TYR 46 N 4.23 2.90 0.50 0.43 2.02 -1.26 -5.05 117.35 121.11 1i6d s TYR 46 Ca 0.42 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 58.43 1i6d s TYR 46 Cb -0.01 -3.07 -0.06 0.00 -0.40 0.00 0.00 41.96 38.42 1i6d s TYR 46 CO -0.10 -1.23 1.21 -1.54 -1.57 0.00 0.00 175.55 172.32 1i6d s SER 47 N -2.59 5.84 0.26 2.29 1.04 -1.26 -4.89 113.70 114.39 1i6d s SER 47 Ca 0.65 2.40 -0.02 0.00 0.48 0.00 0.00 55.95 59.46 1i6d s SER 47 Cb -0.17 -2.61 0.51 0.00 0.10 0.00 0.00 66.02 63.85 1i6d s SER 47 CO 0.35 -1.15 1.75 0.44 0.98 0.00 0.00 173.24 175.62 1i6d h ASP 48 N 1.74 0.46 -0.71 7.02 3.32 -1.97 -2.29 116.42 123.99 1i6d h ASP 48 Ca -0.50 0.10 0.07 0.00 0.02 0.00 0.00 57.03 56.72 1i6d h ASP 48 Cb 1.26 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.80 1i6d h ASP 48 CO 0.59 0.19 0.47 -0.65 -1.72 0.00 0.00 179.24 178.11 1i6d h PRO 49 N 0.57 0.68 -0.49 3.56 0.11 -1.85 0.86 132.00 135.43 1i6d h PRO 49 Ca 0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.49 1i6d h PRO 49 Cb 0.65 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1i6d h PRO 49 CO -0.37 0.45 0.21 1.98 -0.21 0.00 0.00 178.00 180.06 1i6d h MET 50 N 0.70 0.72 -0.23 1.05 4.05 -1.69 -2.09 114.93 117.44 1i6d h MET 50 Ca 0.31 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1i6d h MET 50 Cb 0.32 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1i6d h MET 50 CO -0.10 0.63 0.02 0.87 0.23 0.00 0.00 176.91 178.55 1i6d h LYS 51 N 0.65 0.39 0.00 0.39 1.57 -1.16 -3.22 116.57 115.19 1i6d h LYS 51 Ca 0.17 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1i6d h LYS 51 Cb 0.16 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1i6d h LYS 51 CO -0.02 0.55 -0.15 0.00 -0.57 0.00 0.00 179.45 179.27 1i6d h ALA 52 N 0.82 1.07 0.48 3.86 0.00 -0.92 -3.29 119.26 121.29 1i6d h ALA 52 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1i6d h ALA 52 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1i6d h ALA 52 CO 0.01 0.18 -0.23 1.25 0.00 0.00 0.00 179.25 180.46 1i6d h HIS 53 N 0.00 -0.60 -0.52 0.00 -0.00 -1.44 -3.50 115.15 109.08 1i6d h HIS 53 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1i6d h HIS 53 Cb 0.58 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1i6d h HIS 53 CO 0.00 -0.38 0.00 0.41 -0.00 0.00 0.00 177.93 177.96 1i6d n GLY 54 N -0.94 -0.80 5.92 5.26 0.00 -1.22 -5.09 105.19 108.32 1i6d n GLY 54 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1i6d n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6d n GLY 55 N 0.00 -1.82 3.28 -0.02 0.00 -1.26 -4.60 105.19 100.77 1i6d n GLY 55 Ca 0.00 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 1i6d n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6d s ASP 56 N -4.00 2.30 -1.34 1.61 1.11 -1.26 -0.89 116.67 114.20 1i6d s ASP 56 Ca 0.00 -0.82 -0.16 0.00 0.18 0.00 0.00 52.55 51.76 1i6d s ASP 56 Cb 0.00 -0.11 0.08 0.00 1.07 0.00 0.00 42.92 43.96 1i6d s ASP 56 CO 0.00 -0.08 1.88 0.79 1.18 0.00 0.00 175.17 178.93 1i6d n TRP 57 N 0.50 4.21 -1.45 4.23 7.02 0.66 -4.88 117.44 127.73 1i6d n TRP 57 Ca -0.15 -2.94 -0.32 0.00 -1.02 0.00 0.00 57.50 53.07 1i6d n TRP 57 Cb 0.57 -2.52 0.08 0.00 -2.42 0.00 0.00 31.31 27.02 1i6d n TRP 57 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1i6d s THR 58 N 3.33 3.02 0.22 -0.99 -4.23 -1.26 -0.45 115.64 115.28 1i6d s THR 58 Ca 0.49 0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 61.34 1i6d s THR 58 Cb 0.07 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.22 1i6d s THR 58 CO 0.01 -0.35 1.69 1.55 -0.54 0.00 0.00 174.62 176.98 1i6d h PRO 59 N -0.57 0.23 -0.34 3.99 0.13 -1.97 -0.08 132.00 133.39 1i6d h PRO 59 Ca -0.45 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1i6d h PRO 59 Cb 1.25 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 59 CO 0.51 0.15 -0.28 1.05 -0.23 0.00 0.00 178.00 179.20 1i6d h GLU 60 N 0.24 -0.23 -0.56 0.86 4.11 -1.99 -0.83 114.58 116.17 1i6d h GLU 60 Ca 0.35 0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.76 1i6d h GLU 60 Cb 0.56 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1i6d h GLU 60 CO -0.46 -0.15 0.20 0.00 0.07 0.00 0.00 179.01 178.67 1i6d h ALA 61 N 0.82 0.74 -0.11 1.06 0.00 -1.80 -2.35 119.26 117.61 1i6d h ALA 61 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i6d h ALA 61 Cb 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1i6d h ALA 61 CO -0.48 0.37 0.04 -0.07 0.00 0.00 0.00 179.25 179.11 1i6d h LEU 62 N 0.78 0.06 -1.33 0.00 3.38 -1.02 -1.46 115.31 115.72 1i6d h LEU 62 Ca 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1i6d h LEU 62 Cb 0.24 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1i6d h LEU 62 CO -0.01 0.05 0.02 0.06 0.09 0.00 0.00 178.44 178.65 1i6d h GLN 63 N 0.10 0.47 0.56 1.13 3.07 -1.17 0.14 115.11 119.41 1i6d h GLN 63 Ca 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 58.65 58.67 1i6d h GLN 63 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1i6d h GLN 63 CO -0.04 0.48 -0.28 0.93 0.09 0.00 0.00 178.83 180.01 1i6d h GLU 64 N 0.46 -0.74 -0.78 0.06 5.08 -1.42 -2.06 114.58 115.18 1i6d h GLU 64 Ca 0.10 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1i6d h GLU 64 Cb 0.26 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1i6d h GLU 64 CO 0.00 -0.49 0.49 0.35 -1.00 0.00 0.00 179.01 178.37 1i6d h PHE 65 N -0.77 0.93 0.00 4.33 3.57 -1.12 -2.67 116.94 121.21 1i6d h PHE 65 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6d h PHE 65 Cb 0.60 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1i6d h PHE 65 CO -0.05 0.53 0.00 -0.07 -2.23 0.00 0.00 178.31 176.49 1i6d h LEU 66 N 0.96 0.00 0.31 0.59 3.38 -0.83 -1.34 115.31 118.39 1i6d h LEU 66 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1i6d h LEU 66 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1i6d h LEU 66 CO -0.11 0.00 -0.15 0.74 0.09 0.00 0.00 178.44 179.01 1i6d h THR 67 N 0.00 0.69 -2.29 0.22 2.02 -1.02 0.18 112.91 112.70 1i6d h THR 67 Ca 0.00 -0.59 -0.30 0.00 0.77 0.00 0.00 66.41 66.29 1i6d h THR 67 Cb 0.50 0.98 -0.34 0.00 -1.74 0.00 0.00 68.15 67.55 1i6d h THR 67 CO 0.00 0.11 -0.61 0.21 0.37 0.00 0.00 175.52 175.61 1i6d s ASN 68 N -5.07 1.32 0.24 4.18 3.84 -1.13 -4.08 114.94 114.24 1i6d s ASN 68 Ca -0.14 -0.34 0.08 0.00 0.21 0.00 0.00 52.86 52.66 1i6d s ASN 68 Cb 0.02 0.54 0.25 0.00 -0.55 0.00 0.00 41.25 41.51 1i6d s ASN 68 CO 0.54 -0.34 1.55 1.55 -2.79 0.00 0.00 177.10 177.61 1i6d h PRO 69 N 8.28 0.09 -0.42 0.43 0.13 -1.44 -2.90 132.00 136.15 1i6d h PRO 69 Ca -0.16 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1i6d h PRO 69 Cb 1.12 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 69 CO 0.30 0.72 -0.20 0.87 -0.23 0.00 0.00 178.00 179.46 1i6d h LYS 70 N 0.06 0.83 -0.65 0.86 6.56 -1.85 -1.25 116.57 121.13 1i6d h LYS 70 Ca -0.01 -0.33 -0.06 0.00 -1.06 0.00 0.00 60.65 59.19 1i6d h LYS 70 Cb 1.18 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.77 1i6d h LYS 70 CO 0.09 0.96 0.17 0.00 -2.06 0.00 0.00 179.45 178.61 1i6d h ALA 71 N 1.04 0.86 0.23 3.86 0.00 -1.96 -3.14 119.26 120.15 1i6d h ALA 71 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1i6d h ALA 71 Cb 0.72 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i6d h ALA 71 CO 0.06 0.56 -0.11 0.28 0.00 0.00 0.00 179.25 180.04 1i6d h VAL 72 N 0.96 0.63 -3.38 0.00 2.07 -1.57 -3.41 116.25 111.54 1i6d h VAL 72 Ca 0.21 -0.96 -0.71 0.00 0.82 0.00 0.00 66.70 66.06 1i6d h VAL 72 Cb 0.35 1.04 -0.32 0.00 -1.52 0.00 0.00 31.29 30.84 1i6d h VAL 72 CO 0.00 0.16 -0.44 -0.69 0.02 0.00 0.00 177.57 176.62 1i6d s VAL 73 N -3.49 3.87 -0.62 2.57 1.01 -0.47 -5.06 120.40 118.20 1i6d s VAL 73 Ca -0.12 -1.96 -0.27 0.00 0.00 0.00 0.00 61.98 59.64 1i6d s VAL 73 Cb 0.01 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1i6d s VAL 73 CO 0.42 -0.76 1.45 -0.75 0.00 0.00 0.00 175.10 175.47 1i6d s LYS 74 N 1.19 3.15 0.00 2.72 2.20 -1.19 -2.50 119.74 125.32 1i6d s LYS 74 Ca 0.07 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1i6d s LYS 74 Cb -0.24 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 1i6d s LYS 74 CO -0.02 -2.14 0.00 0.41 -0.36 0.00 0.00 175.35 173.24 1i6d n GLY 75 N 5.37 0.88 3.77 5.54 0.00 -1.26 -4.75 105.19 114.74 1i6d n GLY 75 Ca 0.11 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1i6d n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6d s THR 76 N -2.31 4.24 -2.00 2.61 -1.32 -1.04 -4.45 115.64 111.37 1i6d s THR 76 Ca 0.00 1.84 0.13 0.00 -1.21 0.00 0.00 61.69 62.45 1i6d s THR 76 Cb 0.00 -4.16 0.37 0.00 -1.51 0.00 0.00 72.50 67.20 1i6d s THR 76 CO 0.00 0.40 1.20 0.29 -2.21 0.00 0.00 174.62 174.31 1i6d n LYS 77 N 1.24 0.49 -2.39 7.08 5.02 -1.26 -4.78 118.16 123.57 1i6d n LYS 77 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 1i6d n LYS 77 Cb 0.49 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1i6d s MET 78 N -2.00 3.29 -1.32 1.97 1.75 -1.26 -4.96 119.30 116.78 1i6d s MET 78 Ca 0.20 0.44 -0.14 0.00 -1.25 0.00 0.00 55.69 54.94 1i6d s MET 78 Cb 0.09 -4.13 0.11 0.00 2.84 0.00 0.00 34.83 33.74 1i6d s MET 78 CO 0.15 -1.95 1.83 0.00 -0.65 0.00 0.00 175.02 174.40 1i6d n ALA 79 N 9.62 4.57 -3.21 4.11 0.00 -1.26 -4.81 120.51 129.53 1i6d n ALA 79 Ca 0.12 -4.06 -0.18 0.00 0.00 0.00 0.00 53.44 49.32 1i6d n ALA 79 Cb 0.49 -3.31 -0.15 0.00 0.00 0.00 0.00 19.45 16.47 1i6d n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1i6d s PHE 80 N 2.43 0.59 -0.08 0.00 5.36 -1.26 -5.11 117.98 119.92 1i6d s PHE 80 Ca 0.46 -0.13 -0.06 0.00 -0.96 0.00 0.00 56.93 56.25 1i6d s PHE 80 Cb 0.06 -0.47 -0.03 0.00 -0.34 0.00 0.00 43.02 42.24 1i6d s PHE 80 CO 0.00 -0.09 0.24 0.00 -1.46 0.00 0.00 175.22 173.91 1i6d h ALA 81 N 6.60 -0.21 0.00 11.12 0.00 -1.95 -3.41 119.26 131.41 1i6d h ALA 81 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1i6d h ALA 81 Cb 1.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6d h ALA 81 CO 0.49 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1i6d n GLY 82 N 1.24 2.52 3.37 0.00 0.00 -1.26 -4.39 105.19 106.68 1i6d n GLY 82 Ca -0.03 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 1i6d n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6d s LEU 83 N 0.00 5.47 0.21 0.99 1.43 0.64 -4.99 118.68 122.43 1i6d s LEU 83 Ca 0.00 -1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 51.67 1i6d s LEU 83 Cb 0.00 -2.30 0.18 0.00 0.03 0.00 0.00 46.19 44.10 1i6d s LEU 83 CO 0.00 -1.03 1.54 1.55 0.23 0.00 0.00 176.35 178.63 1i6d h PRO 84 N 9.11 0.47 -6.24 1.29 0.13 -1.87 -3.39 132.00 131.50 1i6d h PRO 84 Ca -0.29 -0.29 -0.55 0.00 -0.87 0.00 0.00 66.00 64.00 1i6d h PRO 84 Cb 1.09 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1i6d h PRO 84 CO 1.07 0.88 0.12 0.15 -0.23 0.00 0.00 178.00 180.00 1i6d s LYS 85 N -3.98 4.46 0.22 0.86 1.02 -1.26 -5.01 119.74 116.04 1i6d s LYS 85 Ca -0.06 0.99 -0.08 0.00 0.02 0.00 0.00 55.97 56.84 1i6d s LYS 85 Cb 0.12 -3.37 0.35 0.00 -0.52 0.00 0.00 37.83 34.41 1i6d s LYS 85 CO 0.82 0.28 1.73 0.97 -0.92 0.00 0.00 175.35 178.23 1i6d h ILE 86 N 4.18 0.70 -0.68 2.17 6.09 -2.01 -3.04 117.51 124.92 1i6d h ILE 86 Ca -0.44 -0.13 0.08 0.00 -1.37 0.00 0.00 64.86 62.99 1i6d h ILE 86 Cb 1.20 0.28 -0.06 0.00 0.47 0.00 0.00 36.82 38.71 1i6d h ILE 86 CO 0.71 0.07 0.36 1.05 -3.07 0.00 0.00 178.15 177.27 1i6d h GLU 87 N 0.39 0.62 -0.64 2.19 -0.00 -1.95 -0.41 114.58 114.77 1i6d h GLU 87 Ca 0.35 -0.04 0.06 0.00 -0.00 0.00 0.00 59.36 59.74 1i6d h GLU 87 Cb 0.49 -0.14 -0.06 0.00 -0.00 0.00 0.00 28.75 29.04 1i6d h GLU 87 CO -0.37 0.41 0.34 -0.44 -0.00 0.00 0.00 179.01 178.95 1i6d h ASP 88 N 0.64 0.48 0.22 3.06 5.19 -1.88 0.48 116.42 124.61 1i6d h ASP 88 Ca 0.32 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1i6d h ASP 88 Cb 0.27 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1i6d h ASP 88 CO -0.23 0.31 -0.11 0.03 -3.12 0.00 0.00 179.24 176.12 1i6d h ARG 89 N 0.62 -0.29 -0.89 3.56 3.08 -1.41 -2.44 114.38 116.60 1i6d h ARG 89 Ca 0.29 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1i6d h ARG 89 Cb 0.22 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1i6d h ARG 89 CO -0.20 -0.07 0.52 0.00 -1.07 0.00 0.00 179.97 179.15 1i6d h ALA 90 N 0.28 1.24 -0.11 0.04 0.00 -1.06 -1.53 119.26 118.12 1i6d h ALA 90 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1i6d h ALA 90 Cb 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1i6d h ALA 90 CO 0.05 0.64 -0.26 -0.91 0.00 0.00 0.00 179.25 178.77 1i6d h ASN 91 N 1.24 -0.79 -0.61 0.00 -0.26 -0.60 -1.51 115.58 113.04 1i6d h ASN 91 Ca 0.32 0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 56.17 1i6d h ASN 91 Cb -0.03 0.34 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 1i6d h ASN 91 CO -0.06 -0.31 0.36 0.25 -1.06 0.00 0.00 177.43 176.61 1i6d h LEU 92 N -0.34 0.75 -1.04 1.61 6.46 -1.34 -2.06 115.31 119.35 1i6d h LEU 92 Ca 0.09 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 1i6d h LEU 92 Cb 0.48 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1i6d h LEU 92 CO -0.30 0.60 -0.13 0.40 -0.62 0.00 0.00 178.44 178.40 1i6d h ILE 93 N 0.83 1.24 -0.34 4.05 2.04 -1.28 0.16 117.51 124.21 1i6d h ILE 93 Ca 0.22 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 65.08 1i6d h ILE 93 Cb 0.01 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1i6d h ILE 93 CO -0.04 0.35 0.05 0.00 0.00 0.00 0.00 178.15 178.50 1i6d h ALA 94 N 1.38 0.34 -0.37 1.87 0.00 -1.24 -2.77 119.26 118.47 1i6d h ALA 94 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i6d h ALA 94 Cb 0.51 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1i6d h ALA 94 CO 0.03 -0.36 0.21 -0.92 0.00 0.00 0.00 179.25 178.22 1i6d h TYR 95 N 0.16 0.50 -0.90 0.00 3.20 -0.92 -2.22 116.97 116.78 1i6d h TYR 95 Ca 0.16 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.15 1i6d h TYR 95 Cb 0.19 -0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.22 1i6d h TYR 95 CO -0.20 0.37 0.52 -0.07 -1.64 0.00 0.00 178.16 177.15 1i6d h LEU 96 N 0.48 0.71 -0.88 2.82 3.38 -1.05 -1.77 115.31 119.01 1i6d h LEU 96 Ca 0.13 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1i6d h LEU 96 Cb 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1i6d h LEU 96 CO -0.02 0.35 0.14 -0.33 0.09 0.00 0.00 178.44 178.67 1i6d h GLU 97 N 0.79 0.97 -0.28 1.13 5.08 -1.40 -2.85 114.58 118.02 1i6d h GLU 97 Ca 0.47 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1i6d h GLU 97 Cb 0.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1i6d h GLU 97 CO -0.30 0.87 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 1i6d n GLY 98 N -0.75 -0.28 2.43 -3.84 0.00 -0.84 -4.52 105.19 97.39 1i6d n GLY 98 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1i6d n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6d s GLN 99 N -1.72 0.89 0.00 1.61 -1.52 -0.70 -5.05 119.66 113.18 1i6d s GLN 99 Ca 0.00 -1.97 0.00 0.00 -1.95 0.00 0.00 55.36 51.44 1i6d s GLN 99 Cb 0.00 -1.48 0.00 0.00 -0.22 0.00 0.00 33.01 31.31 1i6d s GLN 99 CO 0.00 -1.34 0.24 1.04 -0.25 0.00 0.00 175.29 174.99