#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6d s ALA 2 N 0.00 3.77 -0.34 3.04 0.00 -1.26 -2.06 121.76 124.91 1i6d s ALA 2 Ca 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 51.96 48.76 1i6d s ALA 2 Cb 0.00 -4.30 0.09 0.00 0.00 0.00 0.00 23.12 18.91 1i6d s ALA 2 CO 0.00 -2.95 0.06 0.34 0.00 0.00 0.00 175.76 173.21 1i6d s ASP 3 N 3.30 4.88 0.36 0.00 -1.08 -1.26 -4.95 116.67 117.93 1i6d s ASP 3 Ca 0.46 -1.80 0.03 0.00 -0.52 0.00 0.00 52.55 50.72 1i6d s ASP 3 Cb -0.01 -1.69 0.68 0.00 -1.46 0.00 0.00 42.92 40.44 1i6d s ASP 3 CO 0.03 -0.37 2.01 -0.65 0.52 0.00 0.00 175.17 176.71 1i6d h PRO 4 N 7.85 0.79 -0.30 4.34 0.11 -1.82 -1.05 132.00 141.91 1i6d h PRO 4 Ca -0.13 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 1i6d h PRO 4 Cb 1.04 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1i6d h PRO 4 CO 0.56 0.52 0.12 0.00 -0.21 0.00 0.00 178.00 178.99 1i6d h ALA 5 N 1.62 0.39 -0.94 -0.75 0.00 -1.96 -0.66 119.26 116.96 1i6d h ALA 5 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i6d h ALA 5 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1i6d h ALA 5 CO -0.05 -0.01 0.55 0.00 0.00 0.00 0.00 179.25 179.74 1i6d h ALA 6 N 0.96 1.20 -0.79 0.00 0.00 -1.92 -3.23 119.26 115.47 1i6d h ALA 6 Ca 0.10 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1i6d h ALA 6 Cb 0.19 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1i6d h ALA 6 CO -0.01 0.67 0.52 0.78 0.00 0.00 0.00 179.25 181.21 1i6d h GLY 7 N 1.30 1.04 0.44 0.00 0.00 -0.97 -1.50 103.07 103.37 1i6d h GLY 7 Ca 0.33 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.44 1i6d h GLY 7 CO -0.06 0.17 0.12 -2.09 0.00 0.00 0.00 176.54 174.68 1i6d h GLU 8 N 0.72 0.26 -0.37 4.80 4.22 -1.14 0.76 114.58 123.81 1i6d h GLU 8 Ca 0.37 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.81 1i6d h GLU 8 Cb 0.46 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1i6d h GLU 8 CO -0.14 0.17 0.22 0.87 -2.18 0.00 0.00 179.01 177.95 1i6d h LYS 9 N 0.27 0.44 -0.86 1.92 1.57 -1.45 -2.93 116.57 115.54 1i6d h LYS 9 Ca 0.24 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1i6d h LYS 9 Cb 0.29 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1i6d h LYS 9 CO -0.29 0.29 0.45 0.28 -0.57 0.00 0.00 179.45 179.62 1i6d h VAL 10 N 0.46 1.25 0.00 0.50 2.07 -1.22 -2.32 116.25 116.99 1i6d h VAL 10 Ca 0.15 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1i6d h VAL 10 Cb -0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1i6d h VAL 10 CO -0.06 0.29 0.22 0.15 0.02 0.00 0.00 177.57 178.19 1i6d h PHE 11 N 1.20 0.00 -1.12 1.57 3.04 -0.75 -2.64 116.94 118.24 1i6d h PHE 11 Ca 0.30 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.61 1i6d h PHE 11 Cb 0.05 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.42 1i6d h PHE 11 CO 0.01 0.00 0.68 0.78 -2.02 0.00 0.00 178.31 177.76 1i6d h GLY 12 N 0.00 1.69 1.83 2.40 0.00 -1.23 -0.24 103.07 107.52 1i6d h GLY 12 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1i6d h GLY 12 CO 0.00 -0.44 -0.20 0.50 0.00 0.00 0.00 176.54 176.41 1i6d h LYS 13 N 0.22 0.21 0.19 4.80 1.57 -1.69 -3.37 116.57 118.50 1i6d h LYS 13 Ca 0.76 -0.06 -0.35 0.00 -1.87 0.00 0.00 60.65 59.13 1i6d h LYS 13 Cb 2.03 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.32 1i6d h LYS 13 CO -0.51 0.41 -1.74 0.00 -0.57 0.00 0.00 179.45 177.04 1i6d h LYS 15 N 0.11 0.07 -0.72 0.00 2.10 -1.30 -1.03 116.57 115.80 1i6d h LYS 15 Ca -0.34 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.33 1i6d h LYS 15 Cb 2.10 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 33.38 1i6d h LYS 15 CO 0.18 0.04 0.47 0.00 -2.00 0.00 0.00 179.45 178.15 1i6d h ALA 16 N 1.71 1.57 0.07 0.07 0.00 -1.81 -3.32 119.26 117.54 1i6d h ALA 16 Ca 0.28 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.78 1i6d h ALA 16 Cb 1.03 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1i6d h ALA 16 CO -0.02 0.37 -2.20 0.00 0.00 0.00 0.00 179.25 177.39 1i6d s HIS 18 N -2.54 2.95 -0.27 0.00 3.76 -0.44 -1.27 115.29 117.48 1i6d s HIS 18 Ca -0.28 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.26 1i6d s HIS 18 Cb 0.08 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.91 1i6d s HIS 18 CO 0.69 0.01 0.04 0.15 -0.85 0.00 0.00 174.74 174.77 1i6d s LYS 19 N 0.07 3.10 0.41 1.40 1.02 -1.25 -4.23 119.74 120.26 1i6d s LYS 19 Ca -0.02 -0.83 0.14 0.00 0.02 0.00 0.00 55.97 55.28 1i6d s LYS 19 Cb -0.14 -3.25 0.85 0.00 -0.52 0.00 0.00 37.83 34.78 1i6d s LYS 19 CO 0.03 -0.39 1.89 -0.07 -0.92 0.00 0.00 175.35 175.89 1i6d h LEU 20 N 8.17 0.00 -4.84 3.17 3.38 -1.91 -3.33 115.31 119.95 1i6d h LEU 20 Ca -0.33 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.07 1i6d h LEU 20 Cb 1.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.89 1i6d h LEU 20 CO 0.59 0.30 3.07 0.47 0.09 0.00 0.00 178.44 182.96 1i6d n ASP 21 N -4.13 8.00 -2.55 -0.43 8.00 -1.26 -4.39 116.55 119.79 1i6d n ASP 21 Ca -0.02 -2.54 -0.13 0.00 0.71 0.00 0.00 54.79 52.81 1i6d n ASP 21 Cb 0.35 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 39.93 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 3.40 -0.50 3.29 0.44 0.00 -1.26 -5.00 105.19 105.56 1i6d n GLY 22 Ca 0.71 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.12 2.62 -0.23 1.61 0.01 -1.25 -4.98 114.94 110.59 1i6d s ASN 23 Ca 0.05 -0.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.55 1i6d s ASN 23 Cb -0.03 -0.16 0.06 0.00 0.41 0.00 0.00 41.25 41.53 1i6d s ASN 23 CO 0.06 0.10 -0.07 -1.81 -1.51 0.00 0.00 177.10 173.87 1i6d s ASP 24 N -1.75 3.88 0.00 -1.22 1.11 -1.26 -3.20 116.67 114.23 1i6d s ASP 24 Ca 0.07 -1.17 0.00 0.00 0.18 0.00 0.00 52.55 51.63 1i6d s ASP 24 Cb -0.10 -1.24 0.00 0.00 1.07 0.00 0.00 42.92 42.66 1i6d s ASP 24 CO 0.04 -0.22 0.00 0.61 1.18 0.00 0.00 175.17 176.78 1i6d n GLY 25 N 4.64 1.17 0.14 0.21 0.00 -1.26 -4.98 105.19 105.11 1i6d n GLY 25 Ca -0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 0.51 -1.81 1.61 2.07 -1.92 -3.46 116.25 113.26 1i6d h VAL 26 Ca 0.00 -1.04 -0.45 0.00 0.82 0.00 0.00 66.70 66.03 1i6d h VAL 26 Cb 0.00 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1i6d h VAL 26 CO 0.00 0.14 -0.37 -0.83 0.02 0.00 0.00 177.57 176.54 1i6d s GLY 27 N -3.30 1.64 1.20 2.17 0.00 -0.39 -5.02 107.32 103.63 1i6d s GLY 27 Ca -0.09 -1.51 -0.20 0.00 0.00 0.00 0.00 44.72 42.92 1i6d s GLY 27 CO 0.33 -1.43 1.13 2.56 0.00 0.00 0.00 173.10 175.69 1i6d s PRO 28 N -4.13 -1.25 -0.33 2.90 0.04 -1.26 -4.52 135.00 126.44 1i6d s PRO 28 Ca 0.44 -0.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 1i6d s PRO 28 Cb -0.09 -1.60 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 1i6d s PRO 28 CO 0.30 -3.71 1.43 -3.38 0.04 0.00 0.00 177.00 171.67 1i6d s HIS 29 N -3.07 2.43 -1.94 0.56 -3.43 -1.19 -3.87 115.29 104.76 1i6d s HIS 29 Ca 0.72 0.72 0.28 0.00 -0.80 0.00 0.00 55.06 55.98 1i6d s HIS 29 Cb -0.08 -4.09 1.67 0.00 -1.43 0.00 0.00 32.58 28.64 1i6d s HIS 29 CO 0.56 -2.09 2.03 1.28 -2.00 0.00 0.00 174.74 174.52 1i6d n LEU 30 N 8.39 0.00 -4.65 5.38 4.77 -1.25 -4.69 117.00 124.95 1i6d n LEU 30 Ca 0.17 0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 1i6d n LEU 30 Cb 0.47 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1i6d n LEU 30 CO 0.67 -0.00 1.10 0.21 -1.33 0.00 0.00 177.39 178.03 1i6d s ASN 31 N -2.06 6.87 -0.13 -1.43 2.47 -1.26 -3.46 114.94 115.94 1i6d s ASN 31 Ca 0.41 1.57 -0.01 0.00 0.42 0.00 0.00 52.86 55.26 1i6d s ASN 31 Cb 0.19 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1i6d s ASN 31 CO 0.34 -0.85 0.10 0.61 -3.72 0.00 0.00 177.10 173.58 1i6d n GLY 32 N 3.81 0.75 0.12 1.21 0.00 0.09 -4.94 105.19 106.23 1i6d n GLY 32 Ca 0.14 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1i6d n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i6d n VAL 33 N -2.89 1.63 -2.26 1.61 3.14 -1.22 -4.61 118.33 113.73 1i6d n VAL 33 Ca -0.00 -0.70 -0.43 0.00 -2.96 0.00 0.00 64.34 60.25 1i6d n VAL 33 Cb 0.51 -1.33 -0.02 0.00 -1.06 0.00 0.00 33.84 31.93 1i6d n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1i6d s VAL 34 N -2.55 3.96 0.00 1.55 1.01 -1.26 -1.50 120.40 121.60 1i6d s VAL 34 Ca -0.19 1.12 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1i6d s VAL 34 Cb 0.07 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1i6d s VAL 34 CO 0.75 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1i6d n GLY 35 N 4.17 1.50 3.78 4.51 0.00 0.01 -4.99 105.19 114.16 1i6d n GLY 35 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.42 4.52 0.47 1.61 3.52 -0.56 -4.51 118.95 123.58 1i6d s ARG 36 Ca 0.00 1.38 -0.24 0.00 -0.13 0.00 0.00 55.73 56.73 1i6d s ARG 36 Cb 0.00 -2.77 -0.07 0.00 -1.56 0.00 0.00 34.95 30.54 1i6d s ARG 36 CO 0.00 0.21 1.42 2.41 -0.81 0.00 0.00 175.30 178.53 1i6d n THR 37 N 0.48 3.05 -2.24 4.11 -1.04 -1.26 -0.50 114.28 116.88 1i6d n THR 37 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 1i6d n THR 37 Cb 0.50 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 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 -1.21 3.88 -1.24 12.58 1.01 -0.50 -1.03 120.40 133.89 1i6d s VAL 38 Ca 0.64 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1i6d s VAL 38 Cb -0.44 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1i6d s VAL 38 CO 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.60 1i6d n ALA 39 N 6.12 -0.18 -1.99 5.51 0.00 -1.26 -4.64 120.51 124.07 1i6d n ALA 39 Ca 0.14 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1i6d n ALA 39 Cb 0.44 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.07 5.22 2.74 0.00 0.00 -0.19 -4.73 105.19 107.16 1i6d n GLY 40 Ca -0.12 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.64 0.73 -0.60 1.61 1.01 -1.26 -4.75 120.40 114.50 1i6d s VAL 41 Ca 0.52 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 1i6d s VAL 41 Cb 0.27 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1i6d s VAL 41 CO -0.18 -0.46 1.53 -1.81 0.00 0.00 0.00 175.10 174.18 1i6d s ASP 42 N 1.72 5.89 0.00 3.32 1.01 -1.26 -2.75 116.67 124.60 1i6d s ASP 42 Ca 0.04 0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.52 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 -0.18 -1.91 0.00 0.61 0.21 0.00 0.00 175.17 173.89 1i6d n GLY 43 N 5.41 3.09 3.77 0.21 0.00 -1.26 -5.13 105.19 111.28 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 3.77 -1.00 1.61 5.36 -1.11 -5.04 117.98 121.57 1i6d s PHE 44 Ca 0.00 1.39 -0.23 0.00 -0.96 0.00 0.00 56.93 57.12 1i6d s PHE 44 Cb 0.00 -2.68 0.05 0.00 -0.34 0.00 0.00 43.02 40.05 1i6d s PHE 44 CO 0.00 0.41 1.43 1.21 -1.46 0.00 0.00 175.22 176.81 1i6d s ASN 45 N -0.54 6.48 0.44 6.13 2.47 -1.26 -4.93 114.94 123.74 1i6d s ASN 45 Ca 0.34 -1.41 -0.22 0.00 0.42 0.00 0.00 52.86 51.99 1i6d s ASN 45 Cb -0.20 -2.56 -0.09 0.00 -1.45 0.00 0.00 41.25 36.94 1i6d s ASN 45 CO 0.21 -1.52 1.01 -0.31 -3.72 0.00 0.00 177.10 172.78 1i6d s TYR 46 N 4.95 3.18 0.56 0.43 2.02 -1.26 -5.06 117.35 122.18 1i6d s TYR 46 Ca 0.45 1.61 -0.20 0.00 -0.37 0.00 0.00 57.07 58.57 1i6d s TYR 46 Cb -0.01 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 1i6d s TYR 46 CO -0.09 -0.53 1.20 -1.12 -1.57 0.00 0.00 175.55 173.44 1i6d s SER 47 N -1.90 5.42 0.21 2.29 0.01 -1.26 -4.92 113.70 113.54 1i6d s SER 47 Ca 0.63 2.37 -0.10 0.00 1.31 0.00 0.00 55.95 60.16 1i6d s SER 47 Cb -0.16 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.70 1i6d s SER 47 CO 0.20 -1.43 1.82 0.44 0.41 0.00 0.00 173.24 174.68 1i6d h ASP 48 N 1.15 0.59 -0.15 2.44 3.32 -1.97 -2.57 116.42 119.23 1i6d h ASP 48 Ca -0.50 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.61 1i6d h ASP 48 Cb 1.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1i6d h ASP 48 CO 0.56 0.39 0.11 -0.65 -1.72 0.00 0.00 179.24 177.93 1i6d h PRO 49 N 0.72 0.00 -0.40 3.56 0.11 -1.86 -0.20 132.00 133.93 1i6d h PRO 49 Ca 0.29 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.36 1i6d h PRO 49 Cb 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1i6d h PRO 49 CO -0.16 0.00 0.10 1.98 -0.21 0.00 0.00 178.00 179.70 1i6d h MET 50 N 0.00 0.65 -0.30 1.05 4.05 -1.76 -1.34 114.93 117.27 1i6d h MET 50 Ca 0.07 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1i6d h MET 50 Cb 0.28 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1i6d h MET 50 CO -0.00 0.67 0.10 0.87 0.23 0.00 0.00 176.91 178.77 1i6d h LYS 51 N 0.51 0.47 0.00 0.39 1.57 -1.23 -3.21 116.57 115.07 1i6d h LYS 51 Ca 0.13 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1i6d h LYS 51 Cb 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1i6d h LYS 51 CO 0.00 0.52 -0.12 0.00 -0.57 0.00 0.00 179.45 179.28 1i6d h ALA 52 N 0.93 1.11 0.70 3.86 0.00 -1.11 -3.30 119.26 121.45 1i6d h ALA 52 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1i6d h ALA 52 Cb 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1i6d h ALA 52 CO -0.00 0.15 -0.33 1.25 0.00 0.00 0.00 179.25 180.32 1i6d h HIS 53 N 0.00 -0.87 -0.74 0.00 -0.00 -1.27 -3.51 115.15 108.76 1i6d h HIS 53 Ca -0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1i6d h HIS 53 Cb 0.49 0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.18 1i6d h HIS 53 CO 0.00 -0.52 -0.06 0.41 -0.00 0.00 0.00 177.93 177.75 1i6d n GLY 54 N -0.70 -1.93 2.20 5.26 0.00 -1.21 -5.10 105.19 103.72 1i6d n GLY 54 Ca -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.81 -1.79 3.15 -0.02 0.00 -1.26 -4.67 105.19 99.78 1i6d n GLY 55 Ca 0.00 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 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 1.36 -1.27 1.61 1.01 -1.26 -1.41 116.67 112.72 1i6d s ASP 56 Ca 0.00 -0.70 -0.18 0.00 0.71 0.00 0.00 52.55 52.38 1i6d s ASP 56 Cb 0.00 0.00 0.08 0.00 1.01 0.00 0.00 42.92 44.01 1i6d s ASP 56 CO 0.00 -0.20 1.69 0.26 0.21 0.00 0.00 175.17 177.12 1i6d s TRP 57 N -1.90 2.82 0.61 4.23 0.52 0.34 -4.89 118.94 120.67 1i6d s TRP 57 Ca -0.00 -1.60 -0.12 0.00 0.02 0.00 0.00 56.10 54.40 1i6d s TRP 57 Cb -0.06 -4.72 -0.04 0.00 -1.15 0.00 0.00 33.47 27.50 1i6d s TRP 57 CO 0.01 -1.79 1.03 0.95 0.02 0.00 0.00 176.95 177.17 1i6d s THR 58 N 4.07 4.63 0.23 2.01 -4.23 -1.26 -0.81 115.64 120.28 1i6d s THR 58 Ca 0.52 0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 61.87 1i6d s THR 58 Cb 0.03 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.26 1i6d s THR 58 CO 0.06 -1.06 1.70 1.55 -0.54 0.00 0.00 174.62 176.32 1i6d h PRO 59 N -0.17 0.27 -0.12 3.99 0.13 -1.99 0.14 132.00 134.25 1i6d h PRO 59 Ca -0.44 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1i6d h PRO 59 Cb 1.19 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 59 CO 0.62 0.18 -0.14 1.49 -0.23 0.00 0.00 178.00 179.92 1i6d h GLU 60 N 0.28 -0.17 -0.54 0.86 4.57 -2.00 -0.80 114.58 116.78 1i6d h GLU 60 Ca 0.37 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1i6d h GLU 60 Cb 0.58 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1i6d h GLU 60 CO -0.45 -0.11 0.35 0.00 -1.18 0.00 0.00 179.01 177.62 1i6d h ALA 61 N 0.89 0.69 -0.23 2.92 0.00 -1.85 -2.77 119.26 118.91 1i6d h ALA 61 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1i6d h ALA 61 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1i6d h ALA 61 CO -0.23 0.15 0.11 -0.07 0.00 0.00 0.00 179.25 179.21 1i6d h LEU 62 N 0.74 0.16 -1.09 0.00 3.38 -0.95 -1.35 115.31 116.20 1i6d h LEU 62 Ca 0.20 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1i6d h LEU 62 Cb -0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1i6d h LEU 62 CO -0.04 0.13 0.22 0.06 0.09 0.00 0.00 178.44 178.90 1i6d h GLN 63 N 0.24 0.86 0.65 1.13 3.07 -1.17 0.13 115.11 120.02 1i6d h GLN 63 Ca 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1i6d h GLN 63 Cb 0.03 -0.15 0.01 0.00 0.08 0.00 0.00 27.48 27.45 1i6d h GLN 63 CO -0.07 0.72 -0.31 0.93 0.09 0.00 0.00 178.83 180.19 1i6d h GLU 64 N 0.85 -0.84 -0.74 0.06 5.08 -1.50 -2.16 114.58 115.32 1i6d h GLU 64 Ca 0.20 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1i6d h GLU 64 Cb 0.19 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1i6d h GLU 64 CO -0.02 -0.55 0.46 0.35 -1.00 0.00 0.00 179.01 178.25 1i6d h PHE 65 N -0.90 0.85 0.00 4.33 3.57 -1.16 -2.60 116.94 121.02 1i6d h PHE 65 Ca -0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1i6d h PHE 65 Cb 0.68 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1i6d h PHE 65 CO -0.02 0.46 0.00 -0.07 -2.23 0.00 0.00 178.31 176.44 1i6d h LEU 66 N 0.87 0.00 0.21 0.59 3.38 -0.85 -1.12 115.31 118.39 1i6d h LEU 66 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1i6d h LEU 66 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1i6d h LEU 66 CO -0.14 0.00 -0.10 0.74 0.09 0.00 0.00 178.44 179.03 1i6d h THR 67 N 0.00 0.87 -2.26 0.22 2.02 -1.01 0.17 112.91 112.92 1i6d h THR 67 Ca 0.00 -0.76 -0.29 0.00 0.77 0.00 0.00 66.41 66.14 1i6d h THR 67 Cb 0.51 1.29 -0.34 0.00 -1.74 0.00 0.00 68.15 67.87 1i6d h THR 67 CO 0.00 0.16 -0.60 0.21 0.37 0.00 0.00 175.52 175.66 1i6d s ASN 68 N -5.26 1.26 0.10 4.18 3.84 -1.08 -4.14 114.94 113.84 1i6d s ASN 68 Ca -0.14 -0.33 -0.13 0.00 0.21 0.00 0.00 52.86 52.47 1i6d s ASN 68 Cb 0.02 0.58 -0.14 0.00 -0.55 0.00 0.00 41.25 41.15 1i6d s ASN 68 CO 0.56 -0.34 1.32 1.55 -2.79 0.00 0.00 177.10 177.40 1i6d h PRO 69 N 8.27 0.80 0.00 0.43 0.13 -1.41 -2.76 132.00 137.45 1i6d h PRO 69 Ca -0.16 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1i6d h PRO 69 Cb 1.12 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1i6d h PRO 69 CO 0.30 1.23 0.00 0.87 -0.23 0.00 0.00 178.00 180.17 1i6d h LYS 70 N 0.54 0.00 -0.02 0.86 1.57 -1.84 -0.88 116.57 116.80 1i6d h LYS 70 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1i6d h LYS 70 Cb 1.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.65 1i6d h LYS 70 CO 0.15 0.00 -0.49 0.00 -0.57 0.00 0.00 179.45 178.54 1i6d h ALA 71 N 2.24 0.09 0.51 3.86 0.00 -1.96 -3.35 119.26 120.65 1i6d h ALA 71 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1i6d h ALA 71 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1i6d h ALA 71 CO 0.00 0.28 -0.24 0.28 0.00 0.00 0.00 179.25 179.57 1i6d h VAL 72 N -0.16 0.20 -3.29 0.00 2.07 -1.44 -3.39 116.25 110.25 1i6d h VAL 72 Ca -0.06 -0.50 -0.76 0.00 0.82 0.00 0.00 66.70 66.20 1i6d h VAL 72 Cb 1.20 0.30 -0.24 0.00 -1.52 0.00 0.00 31.29 31.02 1i6d h VAL 72 CO 0.10 0.04 -0.08 -0.69 0.02 0.00 0.00 177.57 176.95 1i6d s VAL 73 N -4.21 5.30 -0.61 2.57 1.01 -0.34 -5.04 120.40 119.08 1i6d s VAL 73 Ca -0.12 -1.76 -0.27 0.00 0.00 0.00 0.00 61.98 59.82 1i6d s VAL 73 Cb 0.01 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1i6d s VAL 73 CO 0.40 -0.95 1.60 -0.75 0.00 0.00 0.00 175.10 175.40 1i6d s LYS 74 N 1.26 2.99 0.00 2.72 2.20 -1.25 -2.26 119.74 125.39 1i6d s LYS 74 Ca 0.09 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1i6d s LYS 74 Cb -0.23 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 1i6d s LYS 74 CO -0.01 -2.32 0.00 0.41 -0.36 0.00 0.00 175.35 173.08 1i6d n GLY 75 N 5.48 1.48 3.77 5.54 0.00 -1.26 -4.77 105.19 115.43 1i6d n GLY 75 Ca 0.14 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.04 3.51 -2.00 2.61 -1.32 -0.96 -4.51 115.64 110.93 1i6d s THR 76 Ca 0.00 1.37 0.05 0.00 -1.21 0.00 0.00 61.69 61.90 1i6d s THR 76 Cb 0.00 -3.81 0.15 0.00 -1.51 0.00 0.00 72.50 67.32 1i6d s THR 76 CO 0.00 0.21 0.84 2.29 -2.21 0.00 0.00 174.62 175.76 1i6d n LYS 77 N 0.65 0.59 -2.50 7.08 2.85 -1.26 -4.79 118.16 120.77 1i6d n LYS 77 Ca 0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.85 1i6d n LYS 77 Cb 0.46 -1.14 -0.02 0.00 -0.65 0.00 0.00 35.03 33.68 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6d s MET 78 N -2.00 3.47 -1.33 -1.58 1.75 -1.26 -4.96 119.30 113.39 1i6d s MET 78 Ca 0.08 0.42 -0.15 0.00 -1.25 0.00 0.00 55.69 54.78 1i6d s MET 78 Cb 0.04 -4.04 0.09 0.00 2.84 0.00 0.00 34.83 33.75 1i6d s MET 78 CO 0.06 -1.72 1.86 0.00 -0.65 0.00 0.00 175.02 174.56 1i6d n ALA 79 N 8.79 4.43 -3.74 4.11 0.00 -1.26 -4.74 120.51 128.10 1i6d n ALA 79 Ca 0.11 -3.98 -0.16 0.00 0.00 0.00 0.00 53.44 49.40 1i6d n ALA 79 Cb 0.49 -3.42 -0.16 0.00 0.00 0.00 0.00 19.45 16.35 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 3.01 0.14 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.07 1i6d s PHE 80 Ca 0.48 0.10 -0.13 0.00 -0.96 0.00 0.00 56.93 56.42 1i6d s PHE 80 Cb 0.07 -0.34 -0.09 0.00 -0.34 0.00 0.00 43.02 42.32 1i6d s PHE 80 CO 0.01 -0.12 0.54 0.00 -1.46 0.00 0.00 175.22 174.19 1i6d h ALA 81 N 7.46 -0.33 0.00 11.12 0.00 -1.94 -3.40 119.26 132.17 1i6d h ALA 81 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1i6d h ALA 81 Cb 1.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6d h ALA 81 CO 0.43 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1i6d n GLY 82 N 0.80 2.22 3.34 0.00 0.00 -1.26 -4.35 105.19 105.94 1i6d n GLY 82 Ca -0.06 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 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 5.84 0.21 0.99 1.43 0.58 -4.99 118.68 122.74 1i6d s LEU 83 Ca 0.00 -1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 51.43 1i6d s LEU 83 Cb 0.00 -2.25 0.17 0.00 0.03 0.00 0.00 46.19 44.13 1i6d s LEU 83 CO 0.00 -0.97 1.54 1.55 0.23 0.00 0.00 176.35 178.70 1i6d h PRO 84 N 8.99 0.51 -6.39 1.29 0.13 -1.88 -3.40 132.00 131.26 1i6d h PRO 84 Ca -0.28 -0.30 -0.54 0.00 -0.87 0.00 0.00 66.00 64.00 1i6d h PRO 84 Cb 1.09 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 84 CO 1.06 0.90 0.44 0.15 -0.23 0.00 0.00 178.00 180.33 1i6d s LYS 85 N -4.04 4.51 0.28 0.86 1.02 -1.26 -4.98 119.74 116.13 1i6d s LYS 85 Ca -0.07 1.47 0.03 0.00 0.02 0.00 0.00 55.97 57.42 1i6d s LYS 85 Cb 0.12 -3.46 0.67 0.00 -0.52 0.00 0.00 37.83 34.63 1i6d s LYS 85 CO 0.83 -0.14 1.74 0.97 -0.92 0.00 0.00 175.35 177.82 1i6d h ILE 86 N 4.82 0.62 -0.22 2.17 6.09 -2.00 -2.81 117.51 126.18 1i6d h ILE 86 Ca -0.39 -0.19 0.06 0.00 -1.37 0.00 0.00 64.86 62.96 1i6d h ILE 86 Cb 1.20 0.01 -0.06 0.00 0.47 0.00 0.00 36.82 38.44 1i6d h ILE 86 CO 0.78 0.10 -0.21 -0.33 -3.07 0.00 0.00 178.15 175.43 1i6d h GLU 87 N 0.56 -0.21 -0.67 2.19 4.39 -1.93 0.17 114.58 119.07 1i6d h GLU 87 Ca 0.53 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.26 1i6d h GLU 87 Cb 0.89 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 1i6d h GLU 87 CO -0.43 -0.14 0.43 -0.44 -1.16 0.00 0.00 179.01 177.26 1i6d h ASP 88 N -0.22 0.72 0.24 1.42 5.19 -1.90 -0.76 116.42 121.12 1i6d h ASP 88 Ca 0.13 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1i6d h ASP 88 Cb 0.41 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1i6d h ASP 88 CO -0.35 0.51 -0.12 0.03 -3.12 0.00 0.00 179.24 176.20 1i6d h ARG 89 N 0.86 -0.31 -0.88 3.56 3.08 -1.29 -1.69 114.38 117.69 1i6d h ARG 89 Ca 0.26 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.38 1i6d h ARG 89 Cb -0.04 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1i6d h ARG 89 CO -0.08 -0.21 0.56 0.00 -1.07 0.00 0.00 179.97 179.17 1i6d h ALA 90 N 0.44 1.20 0.36 0.04 0.00 -0.97 -0.92 119.26 119.41 1i6d h ALA 90 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i6d h ALA 90 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1i6d h ALA 90 CO 0.05 0.36 -0.36 -0.91 0.00 0.00 0.00 179.25 178.39 1i6d h ASN 91 N 1.05 -0.99 -0.37 0.00 -0.26 -0.54 -2.01 115.58 112.46 1i6d h ASN 91 Ca 0.37 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 56.20 1i6d h ASN 91 Cb 0.10 0.33 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1i6d h ASN 91 CO -0.15 -0.51 0.24 0.25 -1.06 0.00 0.00 177.43 176.20 1i6d h LEU 92 N -0.75 0.43 -1.01 1.61 6.46 -1.24 -2.31 115.31 118.50 1i6d h LEU 92 Ca -0.03 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1i6d h LEU 92 Cb 0.68 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 1i6d h LEU 92 CO -0.06 0.33 0.61 0.40 -0.62 0.00 0.00 178.44 179.09 1i6d h ILE 93 N 0.50 1.25 -0.77 4.05 2.04 -1.24 0.51 117.51 123.85 1i6d h ILE 93 Ca 0.13 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1i6d h ILE 93 Cb -0.04 -0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 35.84 1i6d h ILE 93 CO -0.03 0.25 0.43 0.00 0.00 0.00 0.00 178.15 178.80 1i6d h ALA 94 N 1.37 1.08 -0.65 1.87 0.00 -1.27 0.10 119.26 121.76 1i6d h ALA 94 Ca 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1i6d h ALA 94 Cb -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1i6d h ALA 94 CO -0.07 0.06 0.27 -0.92 0.00 0.00 0.00 179.25 178.59 1i6d h TYR 95 N 0.73 0.97 -0.56 0.00 3.20 -0.88 -1.67 116.97 118.76 1i6d h TYR 95 Ca 0.37 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1i6d h TYR 95 Cb 0.34 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1i6d h TYR 95 CO -0.08 0.76 0.37 -0.07 -1.64 0.00 0.00 178.16 177.50 1i6d h LEU 96 N 0.91 0.65 -0.93 2.82 3.38 -0.73 0.58 115.31 121.98 1i6d h LEU 96 Ca 0.22 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1i6d h LEU 96 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1i6d h LEU 96 CO -0.02 0.47 -0.03 -0.33 0.09 0.00 0.00 178.44 178.63 1i6d h GLU 97 N 0.76 0.75 -0.57 1.13 5.08 -0.91 -3.17 114.58 117.66 1i6d h GLU 97 Ca 0.21 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1i6d h GLU 97 Cb -0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1i6d h GLU 97 CO -0.04 0.78 0.24 0.78 -1.00 0.00 0.00 179.01 179.77 1i6d h GLY 98 N 0.96 0.90 -5.62 -3.84 0.00 -1.02 -3.32 103.07 91.13 1i6d h GLY 98 Ca 0.13 -0.48 -0.73 0.00 0.00 0.00 0.00 47.33 46.26 1i6d h GLY 98 CO 0.02 0.45 2.65 -1.06 0.00 0.00 0.00 176.54 178.60 1i6d n GLN 99 N -4.51 4.30 0.00 4.80 1.13 0.17 -5.06 117.38 118.22 1i6d n GLN 99 Ca 0.03 -3.23 0.00 0.00 -1.94 0.00 0.00 57.00 51.86 1i6d n GLN 99 Cb 0.15 -2.71 0.00 0.00 0.11 0.00 0.00 30.24 27.79 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56