#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 3.55 -3.86 3.04 0.00 -1.26 -1.98 120.51 120.00 1i6d n ALA 2 Ca 0.00 -4.41 -0.34 0.00 0.00 0.00 0.00 53.44 48.69 1i6d n ALA 2 Cb 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.73 4.86 0.46 0.00 -1.08 -1.26 -5.00 116.67 112.93 1i6d s ASP 3 Ca 0.33 -1.71 0.12 0.00 -0.52 0.00 0.00 52.55 50.77 1i6d s ASP 3 Cb 0.06 -1.69 1.06 0.00 -1.46 0.00 0.00 42.92 40.89 1i6d s ASP 3 CO -0.10 -0.34 2.09 -0.65 0.52 0.00 0.00 175.17 176.68 1i6d h PRO 4 N 7.86 0.29 0.09 4.34 0.11 -1.86 -0.78 132.00 142.05 1i6d h PRO 4 Ca -0.14 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1i6d h PRO 4 Cb 1.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1i6d h PRO 4 CO 0.55 0.19 -0.05 0.00 -0.21 0.00 0.00 178.00 178.49 1i6d h ALA 5 N 1.85 -0.13 -0.76 -0.75 0.00 -1.96 -0.61 119.26 116.90 1i6d h ALA 5 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1i6d h ALA 5 Cb 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1i6d h ALA 5 CO -0.02 -0.47 0.50 0.00 0.00 0.00 0.00 179.25 179.26 1i6d h ALA 6 N 0.55 1.56 -0.79 0.00 0.00 -1.93 -2.91 119.26 115.74 1i6d h ALA 6 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1i6d h ALA 6 Cb 0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1i6d h ALA 6 CO 0.02 0.35 0.43 0.78 0.00 0.00 0.00 179.25 180.83 1i6d h GLY 7 N 0.92 1.22 0.69 0.00 0.00 -1.03 -1.21 103.07 103.66 1i6d h GLY 7 Ca 0.31 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1i6d h GLY 7 CO -0.09 0.09 0.18 -2.09 0.00 0.00 0.00 176.54 174.63 1i6d h GLU 8 N 0.71 0.36 -0.39 4.80 4.22 -0.99 0.64 114.58 123.93 1i6d h GLU 8 Ca 0.39 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.86 1i6d h GLU 8 Cb 0.40 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1i6d h GLU 8 CO -0.27 0.24 0.12 0.87 -2.18 0.00 0.00 179.01 177.79 1i6d h LYS 9 N 0.37 0.26 -0.65 1.92 1.57 -1.31 -1.89 116.57 116.85 1i6d h LYS 9 Ca 0.19 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1i6d h LYS 9 Cb 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1i6d h LYS 9 CO -0.17 0.17 0.34 0.28 -0.57 0.00 0.00 179.45 179.50 1i6d h VAL 10 N 0.27 1.21 0.00 0.50 2.07 -1.20 -2.69 116.25 116.41 1i6d h VAL 10 Ca 0.18 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1i6d h VAL 10 Cb 0.18 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1i6d h VAL 10 CO -0.20 0.24 0.01 0.33 0.02 0.00 0.00 177.57 177.97 1i6d n PHE 11 N -4.51 0.33 -0.34 1.57 7.35 0.21 -2.53 117.46 119.54 1i6d n PHE 11 Ca 0.05 0.17 0.21 0.00 -0.76 0.00 0.00 57.45 57.11 1i6d n PHE 11 Cb 0.11 -0.76 0.43 0.00 0.35 0.00 0.00 39.48 39.60 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 1.98 1.51 7.13 0.00 -0.99 -0.17 103.07 112.53 1i6d h GLY 12 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1i6d h GLY 12 CO 0.00 -0.38 0.27 0.50 0.00 0.00 0.00 176.54 176.93 1i6d h LYS 13 N 0.44 0.65 0.17 4.80 1.57 -1.70 -3.35 116.57 119.15 1i6d h LYS 13 Ca 0.69 -0.06 -0.26 0.00 -1.87 0.00 0.00 60.65 59.15 1i6d h LYS 13 Cb 1.45 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 33.65 1i6d h LYS 13 CO -0.55 0.47 -1.20 0.00 -0.57 0.00 0.00 179.45 177.60 1i6d h LYS 15 N -0.18 0.00 -0.95 0.00 2.10 -1.21 0.21 116.57 116.54 1i6d h LYS 15 Ca -0.23 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.44 1i6d h LYS 15 Cb 1.85 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.13 1i6d h LYS 15 CO 0.17 0.01 0.63 0.00 -2.00 0.00 0.00 179.45 178.26 1i6d h ALA 16 N 1.99 1.33 0.07 0.07 0.00 -1.81 -3.36 119.26 117.55 1i6d h ALA 16 Ca -0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1i6d h ALA 16 Cb 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1i6d h ALA 16 CO 0.00 0.61 -1.92 0.00 0.00 0.00 0.00 179.25 177.94 1i6d s HIS 18 N -2.50 2.80 -0.24 0.00 3.76 -0.05 -1.23 115.29 117.84 1i6d s HIS 18 Ca -0.27 -1.16 -0.03 0.00 -0.15 0.00 0.00 55.06 53.45 1i6d s HIS 18 Cb 0.07 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.85 1i6d s HIS 18 CO 0.68 -0.56 -0.04 0.15 -0.85 0.00 0.00 174.74 174.13 1i6d s LYS 19 N 1.01 3.08 0.00 1.40 1.02 -1.24 -4.07 119.74 120.94 1i6d s LYS 19 Ca -0.02 -0.82 0.19 0.00 0.02 0.00 0.00 55.97 55.35 1i6d s LYS 19 Cb -0.15 -3.03 1.04 0.00 -0.52 0.00 0.00 37.83 35.17 1i6d s LYS 19 CO -0.03 -0.32 1.59 1.28 -0.92 0.00 0.00 175.35 176.94 1i6d n LEU 20 N 4.74 0.00 -3.12 3.17 4.77 -1.26 -3.48 117.00 121.82 1i6d n LEU 20 Ca -0.17 0.19 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 1i6d n LEU 20 Cb 0.49 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1i6d n LEU 20 CO 0.28 -0.07 2.11 0.47 -1.33 0.00 0.00 177.39 178.85 1i6d n ASP 21 N -1.19 7.47 -2.92 -1.43 9.92 -1.26 -4.60 116.55 122.54 1i6d n ASP 21 Ca 0.11 -3.16 -0.17 0.00 -0.53 0.00 0.00 54.79 51.04 1i6d n ASP 21 Cb 0.12 -1.32 -0.00 0.00 -0.64 0.00 0.00 41.12 39.28 1i6d n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i6d n GLY 22 N 1.43 -0.49 3.01 0.44 0.00 -1.25 -5.00 105.19 103.32 1i6d n GLY 22 Ca 0.58 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.39 0.65 0.05 1.61 0.01 -1.23 -4.95 114.94 108.69 1i6d s ASN 23 Ca 0.21 -0.36 -0.22 0.00 -0.71 0.00 0.00 52.86 51.78 1i6d s ASN 23 Cb -0.11 0.01 -0.06 0.00 0.41 0.00 0.00 41.25 41.50 1i6d s ASN 23 CO 0.25 -0.12 0.64 1.51 -1.51 0.00 0.00 177.10 177.88 1i6d s ASP 24 N -1.00 7.10 0.00 -1.22 1.47 -1.26 -3.59 116.67 118.18 1i6d s ASP 24 Ca -0.06 1.31 0.00 0.00 1.18 0.00 0.00 52.55 54.98 1i6d s ASP 24 Cb -0.07 -2.40 0.00 0.00 -0.34 0.00 0.00 42.92 40.11 1i6d s ASP 24 CO 0.00 0.15 0.00 0.61 0.68 0.00 0.00 175.17 176.61 1i6d n GLY 25 N 2.12 0.08 0.10 2.12 0.00 -1.14 -4.96 105.19 103.51 1i6d n GLY 25 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 1.34 -1.32 1.61 2.07 -1.39 -3.49 116.25 115.08 1i6d h VAL 26 Ca 0.00 -2.35 -0.47 0.00 0.82 0.00 0.00 66.70 64.70 1i6d h VAL 26 Cb 0.00 2.90 0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1i6d h VAL 26 CO 0.00 0.57 -0.06 -0.83 0.02 0.00 0.00 177.57 177.28 1i6d s GLY 27 N -4.60 1.77 1.24 2.17 0.00 -0.58 -5.02 107.32 102.29 1i6d s GLY 27 Ca -0.21 -1.94 -0.19 0.00 0.00 0.00 0.00 44.72 42.38 1i6d s GLY 27 CO 0.71 -1.49 1.06 2.56 0.00 0.00 0.00 173.10 175.93 1i6d s PRO 28 N -4.76 -1.48 -0.14 2.90 0.04 -1.26 -4.50 135.00 125.79 1i6d s PRO 28 Ca 0.62 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1i6d s PRO 28 Cb -0.06 -1.55 -0.02 0.00 0.04 0.00 0.00 34.50 32.90 1i6d s PRO 28 CO 0.40 -3.91 1.34 -3.38 0.04 0.00 0.00 177.00 171.49 1i6d s HIS 29 N -2.79 2.67 -2.25 0.56 -3.43 -1.24 -4.01 115.29 104.79 1i6d s HIS 29 Ca 0.70 0.84 0.29 0.00 -0.80 0.00 0.00 55.06 56.09 1i6d s HIS 29 Cb -0.12 -3.59 1.42 0.00 -1.43 0.00 0.00 32.58 28.85 1i6d s HIS 29 CO 0.57 -2.15 1.95 1.28 -2.00 0.00 0.00 174.74 174.39 1i6d n LEU 30 N 6.68 0.80 -4.62 5.38 4.77 -1.26 -4.83 117.00 123.92 1i6d n LEU 30 Ca 0.15 -0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 1i6d n LEU 30 Cb 0.44 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1i6d n LEU 30 CO 0.57 0.14 1.47 0.54 -1.33 0.00 0.00 177.39 178.77 1i6d s ASN 31 N -1.97 6.13 -0.09 -1.43 4.22 -1.26 -2.55 114.94 117.99 1i6d s ASN 31 Ca 0.42 1.52 -0.01 0.00 -2.14 0.00 0.00 52.86 52.65 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 0.34 -1.48 0.07 0.61 -2.04 0.00 0.00 177.10 174.60 1i6d n GLY 32 N 5.05 0.85 0.09 0.45 0.00 -1.11 -4.93 105.19 105.59 1i6d n GLY 32 Ca 0.21 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.68 1.63 -2.09 1.61 3.14 -1.06 -4.57 118.33 114.30 1i6d n VAL 33 Ca 0.00 -0.78 -0.43 0.00 -2.96 0.00 0.00 64.34 60.17 1i6d n VAL 33 Cb 0.50 -1.10 -0.03 0.00 -1.06 0.00 0.00 33.84 32.15 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 -2.59 3.61 0.00 1.55 1.01 -1.26 -1.31 120.40 121.40 1i6d s VAL 34 Ca -0.06 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1i6d s VAL 34 Cb 0.08 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1i6d s VAL 34 CO 0.82 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1i6d n GLY 35 N 5.18 0.84 3.80 4.51 0.00 0.23 -4.98 105.19 114.76 1i6d n GLY 35 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.67 4.38 0.37 1.61 3.52 -0.43 -4.49 118.95 123.24 1i6d s ARG 36 Ca 0.00 1.00 -0.26 0.00 -0.13 0.00 0.00 55.73 56.34 1i6d s ARG 36 Cb 0.00 -2.98 -0.12 0.00 -1.56 0.00 0.00 34.95 30.30 1i6d s ARG 36 CO 0.00 0.43 1.17 2.41 -0.81 0.00 0.00 175.30 178.50 1i6d n THR 37 N 0.96 2.25 -2.15 4.11 -1.04 -1.26 -0.08 114.28 117.06 1i6d n THR 37 Ca -0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.06 1i6d n THR 37 Cb 0.50 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 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 -1.16 3.35 -1.40 12.58 1.01 -0.63 -1.40 120.40 132.76 1i6d s VAL 38 Ca 0.59 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1i6d s VAL 38 Cb -0.57 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1i6d s VAL 38 CO 0.59 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1i6d n ALA 39 N 4.48 -0.30 -1.30 5.51 0.00 -1.26 -4.79 120.51 122.84 1i6d n ALA 39 Ca 0.12 0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.53 1i6d n ALA 39 Cb 0.42 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.13 3.88 2.72 0.00 0.00 -0.49 -4.61 105.19 105.54 1i6d n GLY 40 Ca -0.15 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.15 0.88 -0.62 1.61 1.01 -1.26 -4.92 120.40 115.95 1i6d s VAL 41 Ca 0.60 -1.52 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 1i6d s VAL 41 Cb 0.36 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1i6d s VAL 41 CO -0.14 -0.71 1.60 -1.81 0.00 0.00 0.00 175.10 174.03 1i6d s ASP 42 N 1.47 5.73 0.00 3.32 1.01 -1.26 -2.34 116.67 124.60 1i6d s ASP 42 Ca 0.11 0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1i6d s ASP 42 Cb -0.18 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1i6d s ASP 42 CO -0.22 -2.05 0.00 0.61 0.21 0.00 0.00 175.17 173.72 1i6d n GLY 43 N 5.50 3.66 3.74 0.21 0.00 -1.26 -5.14 105.19 111.90 1i6d n GLY 43 Ca 0.14 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 3.85 -1.04 1.61 5.36 -0.99 -5.01 117.98 121.75 1i6d s PHE 44 Ca 0.00 1.82 -0.23 0.00 -0.96 0.00 0.00 56.93 57.57 1i6d s PHE 44 Cb 0.00 -3.05 0.05 0.00 -0.34 0.00 0.00 43.02 39.68 1i6d s PHE 44 CO 0.00 0.22 1.51 1.21 -1.46 0.00 0.00 175.22 176.71 1i6d s ASN 45 N -0.36 6.44 0.58 6.13 2.47 -1.26 -4.96 114.94 123.98 1i6d s ASN 45 Ca 0.45 -1.51 -0.15 0.00 0.42 0.00 0.00 52.86 52.07 1i6d s ASN 45 Cb -0.25 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 36.94 1i6d s ASN 45 CO 0.31 -1.56 1.03 -0.31 -3.72 0.00 0.00 177.10 172.85 1i6d s TYR 46 N 5.25 3.23 0.47 0.43 2.02 -1.26 -5.07 117.35 122.42 1i6d s TYR 46 Ca 0.48 1.47 -0.23 0.00 -0.37 0.00 0.00 57.07 58.43 1i6d s TYR 46 Cb 0.00 -2.89 -0.07 0.00 -0.40 0.00 0.00 41.96 38.60 1i6d s TYR 46 CO -0.07 -0.81 1.17 -1.54 -1.57 0.00 0.00 175.55 172.73 1i6d s SER 47 N -3.12 6.08 0.26 2.29 1.04 -1.26 -4.88 113.70 114.11 1i6d s SER 47 Ca 0.61 2.32 -0.02 0.00 0.48 0.00 0.00 55.95 59.34 1i6d s SER 47 Cb -0.13 -2.60 0.53 0.00 0.10 0.00 0.00 66.02 63.91 1i6d s SER 47 CO 0.38 -0.98 1.73 0.44 0.98 0.00 0.00 173.24 175.80 1i6d h ASP 48 N 1.94 0.37 -0.23 7.02 3.32 -1.98 -1.72 116.42 125.14 1i6d h ASP 48 Ca -0.49 0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1i6d h ASP 48 Cb 1.25 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1i6d h ASP 48 CO 0.60 0.13 0.16 -0.65 -1.72 0.00 0.00 179.24 177.75 1i6d h PRO 49 N 0.50 0.27 -0.36 3.56 0.11 -1.85 0.32 132.00 134.54 1i6d h PRO 49 Ca 0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.47 1i6d h PRO 49 Cb 0.71 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1i6d h PRO 49 CO -0.41 0.18 -0.10 1.98 -0.21 0.00 0.00 178.00 179.44 1i6d h MET 50 N 0.27 0.70 -0.13 1.05 4.05 -1.64 -2.84 114.93 116.39 1i6d h MET 50 Ca 0.09 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1i6d h MET 50 Cb 0.03 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1i6d h MET 50 CO -0.02 0.86 0.06 0.87 0.23 0.00 0.00 176.91 178.91 1i6d h LYS 51 N 0.49 0.20 -1.16 0.39 1.57 -1.06 -3.18 116.57 113.81 1i6d h LYS 51 Ca 0.09 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.59 1i6d h LYS 51 Cb 0.61 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 1i6d h LYS 51 CO 0.04 0.29 0.31 0.00 -0.57 0.00 0.00 179.45 179.51 1i6d n ALA 52 N -2.21 4.16 0.01 3.86 0.00 0.08 -4.61 120.51 121.80 1i6d n ALA 52 Ca -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 53.44 52.04 1i6d n ALA 52 Cb 0.11 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 1i6d n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6d h HIS 53 N 0.70 -0.13 -1.77 0.00 6.17 -1.48 -3.48 115.15 115.16 1i6d h HIS 53 Ca 0.27 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.35 1i6d h HIS 53 Cb 1.56 0.04 0.00 0.00 2.52 0.00 0.00 27.41 31.53 1i6d h HIS 53 CO 0.70 0.05 0.00 0.41 0.71 0.00 0.00 177.93 179.80 1i6d n GLY 54 N 1.35 -1.23 0.00 5.26 0.00 -1.26 -5.13 105.19 104.18 1i6d n GLY 54 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.10 -1.86 3.17 -0.02 0.00 -1.26 -5.06 105.19 100.07 1i6d n GLY 55 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.66 1.68 -1.38 1.61 1.01 -1.26 -1.60 116.67 116.07 1i6d s ASP 56 Ca 0.00 -0.62 -0.15 0.00 0.71 0.00 0.00 52.55 52.49 1i6d s ASP 56 Cb 0.00 -0.05 0.07 0.00 1.01 0.00 0.00 42.92 43.95 1i6d s ASP 56 CO 0.00 -0.08 2.00 0.79 0.21 0.00 0.00 175.17 178.09 1i6d n TRP 57 N 1.28 3.96 -1.60 4.23 5.03 0.88 -4.89 117.44 126.32 1i6d n TRP 57 Ca -0.21 -2.93 -0.32 0.00 3.03 0.00 0.00 57.50 57.06 1i6d n TRP 57 Cb 0.54 -2.53 0.06 0.00 -1.03 0.00 0.00 31.31 28.35 1i6d n TRP 57 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1i6d s THR 58 N 3.28 3.40 0.22 -0.99 -4.23 -1.26 -0.60 115.64 115.46 1i6d s THR 58 Ca 0.49 0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 61.47 1i6d s THR 58 Cb 0.09 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 71.03 1i6d s THR 58 CO -0.02 -0.49 1.68 1.55 -0.54 0.00 0.00 174.62 176.80 1i6d h PRO 59 N -0.38 0.18 -0.32 3.99 0.13 -1.97 0.03 132.00 133.65 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 1.23 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 59 CO 0.54 0.12 -0.32 1.05 -0.23 0.00 0.00 178.00 179.15 1i6d h GLU 60 N 0.19 -0.28 -0.54 0.86 4.11 -1.99 -0.97 114.58 115.96 1i6d h GLU 60 Ca 0.34 0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.75 1i6d h GLU 60 Cb 0.54 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1i6d h GLU 60 CO -0.49 -0.19 0.19 0.00 0.07 0.00 0.00 179.01 178.60 1i6d h ALA 61 N 0.66 0.70 -0.10 1.06 0.00 -1.77 -2.00 119.26 117.82 1i6d h ALA 61 Ca 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i6d h ALA 61 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1i6d h ALA 61 CO -0.49 0.34 -0.03 -0.07 0.00 0.00 0.00 179.25 179.00 1i6d h LEU 62 N 0.74 -0.10 -1.15 0.00 3.38 -1.02 -1.12 115.31 116.02 1i6d h LEU 62 Ca 0.18 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1i6d h LEU 62 Cb 0.24 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1i6d h LEU 62 CO -0.01 -0.04 -0.02 0.06 0.09 0.00 0.00 178.44 178.52 1i6d h GLN 63 N -0.01 0.56 0.31 1.13 -0.00 -1.17 0.11 115.11 116.04 1i6d h GLN 63 Ca 0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 1i6d h GLN 63 Cb 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1i6d h GLN 63 CO -0.10 0.60 -0.16 0.93 -0.00 0.00 0.00 178.83 180.10 1i6d h GLU 64 N 0.54 -0.42 -0.79 0.06 5.08 -1.37 -1.87 114.58 115.81 1i6d h GLU 64 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1i6d h GLU 64 Cb 0.38 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1i6d h GLU 64 CO 0.01 -0.28 0.51 0.35 -1.00 0.00 0.00 179.01 178.61 1i6d h PHE 65 N -0.43 1.01 0.00 4.33 3.57 -1.07 -2.71 116.94 121.64 1i6d h PHE 65 Ca -0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i6d h PHE 65 Cb 0.34 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1i6d h PHE 65 CO -0.06 0.65 0.00 1.28 -2.23 0.00 0.00 178.31 177.95 1i6d n LEU 66 N -4.51 0.67 0.19 0.59 4.77 0.36 -1.37 117.00 117.69 1i6d n LEU 66 Ca 0.08 0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1i6d n LEU 66 Cb 0.03 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1i6d n LEU 66 CO 0.36 -0.45 0.37 0.74 -1.33 0.00 0.00 177.39 177.08 1i6d h THR 67 N 0.00 0.34 -2.74 -5.08 2.02 -1.03 0.20 112.91 106.63 1i6d h THR 67 Ca 0.00 -0.64 -0.43 0.00 0.77 0.00 0.00 66.41 66.11 1i6d h THR 67 Cb 0.45 0.53 -0.38 0.00 -1.74 0.00 0.00 68.15 67.00 1i6d h THR 67 CO 0.00 0.07 -0.71 0.21 0.37 0.00 0.00 175.52 175.46 1i6d s ASN 68 N -4.97 2.32 0.22 4.18 3.84 -1.07 -4.19 114.94 115.27 1i6d s ASN 68 Ca -0.12 -0.70 0.00 0.00 0.21 0.00 0.00 52.86 52.25 1i6d s ASN 68 Cb 0.01 -0.02 0.22 0.00 -0.55 0.00 0.00 41.25 40.92 1i6d s ASN 68 CO 0.40 -0.37 1.58 1.55 -2.79 0.00 0.00 177.10 177.47 1i6d h PRO 69 N 8.37 0.47 -0.16 0.43 0.13 -1.43 -3.12 132.00 136.70 1i6d h PRO 69 Ca -0.17 -0.26 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 1i6d h PRO 69 Cb 1.11 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 69 CO 0.33 0.85 -0.24 0.87 -0.23 0.00 0.00 178.00 179.58 1i6d h LYS 70 N 0.37 0.28 -0.35 0.86 6.56 -1.88 -1.55 116.57 120.87 1i6d h LYS 70 Ca 0.02 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.46 1i6d h LYS 70 Cb 0.98 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.60 1i6d h LYS 70 CO 0.09 0.51 -0.00 0.00 -2.06 0.00 0.00 179.45 177.98 1i6d h ALA 71 N 1.50 0.47 0.03 3.86 0.00 -1.96 -3.26 119.26 119.90 1i6d h ALA 71 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1i6d h ALA 71 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i6d h ALA 71 CO 0.04 0.23 -0.01 0.28 0.00 0.00 0.00 179.25 179.79 1i6d h VAL 72 N 0.42 1.43 -3.37 0.00 2.07 -1.56 -3.41 116.25 111.83 1i6d h VAL 72 Ca 0.10 -1.56 -0.71 0.00 0.82 0.00 0.00 66.70 65.35 1i6d h VAL 72 Cb 0.46 2.45 -0.31 0.00 -1.52 0.00 0.00 31.29 32.37 1i6d h VAL 72 CO 0.02 0.39 -0.45 -0.69 0.02 0.00 0.00 177.57 176.86 1i6d s VAL 73 N -3.39 3.90 -0.68 2.57 1.01 -0.58 -5.07 120.40 118.17 1i6d s VAL 73 Ca -0.16 -1.85 -0.27 0.00 0.00 0.00 0.00 61.98 59.70 1i6d s VAL 73 Cb -0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1i6d s VAL 73 CO 0.64 -0.73 1.45 -0.75 0.00 0.00 0.00 175.10 175.71 1i6d s LYS 74 N 1.29 3.07 0.00 2.72 2.20 -1.23 -2.47 119.74 125.33 1i6d s LYS 74 Ca 0.06 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1i6d s LYS 74 Cb -0.25 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.85 1i6d s LYS 74 CO -0.02 -2.25 0.00 0.41 -0.36 0.00 0.00 175.35 173.13 1i6d n GLY 75 N 5.43 0.84 3.72 5.54 0.00 -1.26 -4.74 105.19 114.73 1i6d n GLY 75 Ca 0.09 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.27 4.45 -0.44 2.61 -1.32 -1.03 -4.44 115.64 113.20 1i6d s THR 76 Ca 0.00 1.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.43 1i6d s THR 76 Cb 0.00 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1i6d s THR 76 CO 0.00 0.26 0.57 2.29 -2.21 0.00 0.00 174.62 175.53 1i6d n LYS 77 N 3.08 0.74 -3.16 7.08 2.85 -1.26 -4.80 118.16 122.68 1i6d n LYS 77 Ca 0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.87 1i6d n LYS 77 Cb 0.49 -1.24 -0.07 0.00 -0.65 0.00 0.00 35.03 33.56 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 -0.29 3.33 -1.33 -1.58 1.75 -1.26 -5.01 119.30 114.91 1i6d s MET 78 Ca 0.00 -0.37 -0.17 0.00 -1.25 0.00 0.00 55.69 53.91 1i6d s MET 78 Cb 0.00 -3.92 0.07 0.00 2.84 0.00 0.00 34.83 33.82 1i6d s MET 78 CO 0.00 -0.92 1.82 0.00 -0.65 0.00 0.00 175.02 175.27 1i6d n ALA 79 N 6.08 3.98 -3.59 4.11 0.00 -1.26 -4.90 120.51 124.92 1i6d n ALA 79 Ca -0.03 -3.88 -0.13 0.00 0.00 0.00 0.00 53.44 49.40 1i6d n ALA 79 Cb 0.48 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 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 3.84 -0.16 -0.08 0.00 5.36 -1.26 -5.11 117.98 120.57 1i6d s PHE 80 Ca 0.52 0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 56.93 1i6d s PHE 80 Cb 0.06 -0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1i6d s PHE 80 CO 0.04 -0.15 0.08 0.00 -1.46 0.00 0.00 175.22 173.73 1i6d h ALA 81 N 6.97 -0.07 0.00 11.12 0.00 -1.95 -3.42 119.26 131.91 1i6d h ALA 81 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i6d h ALA 81 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i6d h ALA 81 CO 0.42 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1i6d n GLY 82 N 1.64 2.48 3.36 0.00 0.00 -1.26 -4.39 105.19 107.01 1i6d n GLY 82 Ca -0.01 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 5.78 0.27 0.99 1.43 0.70 -5.00 118.68 122.86 1i6d s LEU 83 Ca 0.00 -1.51 0.05 0.00 -1.03 0.00 0.00 54.13 51.64 1i6d s LEU 83 Cb 0.00 -2.24 0.35 0.00 0.03 0.00 0.00 46.19 44.34 1i6d s LEU 83 CO 0.00 -0.83 1.63 1.55 0.23 0.00 0.00 176.35 178.93 1i6d h PRO 84 N 8.90 0.24 -6.23 1.29 0.13 -1.89 -3.40 132.00 131.04 1i6d h PRO 84 Ca -0.29 -0.14 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 1i6d h PRO 84 Cb 1.10 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1i6d h PRO 84 CO 0.99 0.69 0.62 0.15 -0.23 0.00 0.00 178.00 180.22 1i6d s LYS 85 N -3.96 4.39 0.24 0.86 1.02 -1.26 -4.98 119.74 116.05 1i6d s LYS 85 Ca -0.04 1.41 -0.05 0.00 0.02 0.00 0.00 55.97 57.31 1i6d s LYS 85 Cb 0.13 -3.56 0.44 0.00 -0.52 0.00 0.00 37.83 34.32 1i6d s LYS 85 CO 0.78 -0.38 1.72 0.97 -0.92 0.00 0.00 175.35 177.53 1i6d h ILE 86 N 5.16 0.64 -0.47 2.17 6.09 -2.00 -2.57 117.51 126.53 1i6d h ILE 86 Ca -0.29 -0.14 0.08 0.00 -1.37 0.00 0.00 64.86 63.14 1i6d h ILE 86 Cb 1.13 0.20 -0.07 0.00 0.47 0.00 0.00 36.82 38.55 1i6d h ILE 86 CO 0.88 0.07 0.07 -0.33 -3.07 0.00 0.00 178.15 175.77 1i6d h GLU 87 N 0.40 0.19 -0.58 2.19 5.08 -1.94 0.09 114.58 120.02 1i6d h GLU 87 Ca 0.40 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1i6d h GLU 87 Cb 0.62 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1i6d h GLU 87 CO -0.42 0.12 0.37 -0.44 -1.00 0.00 0.00 179.01 177.64 1i6d h ASP 88 N 0.19 0.61 0.34 1.42 3.32 -1.86 0.27 116.42 120.71 1i6d h ASP 88 Ca 0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1i6d h ASP 88 Cb 0.32 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1i6d h ASP 88 CO -0.33 0.44 -0.16 0.03 -1.72 0.00 0.00 179.24 177.49 1i6d h ARG 89 N 0.74 -0.44 -0.96 3.56 3.08 -1.29 -2.37 114.38 116.70 1i6d h ARG 89 Ca 0.22 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1i6d h ARG 89 Cb -0.03 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1i6d h ARG 89 CO -0.08 -0.27 0.61 0.00 -1.07 0.00 0.00 179.97 179.16 1i6d h ALA 90 N 0.17 1.27 -0.21 0.04 0.00 -0.98 -1.36 119.26 118.19 1i6d h ALA 90 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1i6d h ALA 90 Cb 0.37 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1i6d h ALA 90 CO 0.08 0.65 0.10 -0.91 0.00 0.00 0.00 179.25 179.17 1i6d h ASN 91 N 1.31 0.14 -0.51 0.00 2.35 -0.29 -0.05 115.58 118.53 1i6d h ASN 91 Ca 0.35 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.16 1i6d h ASN 91 Cb -0.11 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1i6d h ASN 91 CO -0.07 0.11 0.24 0.25 -1.65 0.00 0.00 177.43 176.31 1i6d h LEU 92 N 0.21 0.33 -0.52 1.61 6.46 -1.35 -1.08 115.31 120.97 1i6d h LEU 92 Ca 0.09 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1i6d h LEU 92 Cb 0.03 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1i6d h LEU 92 CO -0.07 0.23 0.11 0.40 -0.62 0.00 0.00 178.44 178.49 1i6d h ILE 93 N 0.47 1.25 -0.79 4.05 2.04 -1.16 0.03 117.51 123.40 1i6d h ILE 93 Ca 0.23 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.28 1i6d h ILE 93 Cb 0.17 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1i6d h ILE 93 CO -0.18 0.33 0.44 0.00 0.00 0.00 0.00 178.15 178.74 1i6d h ALA 94 N 0.99 1.12 -0.17 1.87 0.00 -0.98 -0.39 119.26 121.70 1i6d h ALA 94 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1i6d h ALA 94 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1i6d h ALA 94 CO 0.01 0.08 -0.07 -0.92 0.00 0.00 0.00 179.25 178.34 1i6d h TYR 95 N 0.76 -0.16 -0.50 0.00 3.20 -1.01 -2.57 116.97 116.69 1i6d h TYR 95 Ca 0.38 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.31 1i6d h TYR 95 Cb 0.34 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1i6d h TYR 95 CO -0.07 -0.11 0.33 -0.07 -1.64 0.00 0.00 178.16 176.60 1i6d h LEU 96 N -0.05 0.45 -1.23 2.82 3.38 -0.74 0.56 115.31 120.50 1i6d h LEU 96 Ca 0.09 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1i6d h LEU 96 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1i6d h LEU 96 CO -0.20 0.31 -0.11 -0.33 0.09 0.00 0.00 178.44 178.20 1i6d h GLU 97 N 0.53 0.40 -0.39 1.13 5.08 -1.02 -3.06 114.58 117.25 1i6d h GLU 97 Ca 0.20 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1i6d h GLU 97 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1i6d h GLU 97 CO -0.05 0.52 -0.23 0.78 -1.00 0.00 0.00 179.01 179.02 1i6d h GLY 98 N 0.85 0.92 -6.11 -3.84 0.00 -1.04 -3.38 103.07 90.47 1i6d h GLY 98 Ca 0.07 -0.85 -0.74 0.00 0.00 0.00 0.00 47.33 45.81 1i6d h GLY 98 CO 0.02 0.77 2.33 -1.06 0.00 0.00 0.00 176.54 178.61 1i6d n GLN 99 N -4.21 3.82 0.00 4.80 1.13 0.15 -5.10 117.38 117.97 1i6d n GLN 99 Ca -0.02 -3.35 0.12 0.00 -1.94 0.00 0.00 57.00 51.81 1i6d n GLN 99 Cb 0.45 -2.87 0.10 0.00 0.11 0.00 0.00 30.24 28.03 1i6d n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66