#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 4.11 -3.87 3.04 0.00 -1.26 -1.86 120.51 120.67 1i6d n ALA 2 Ca 0.00 -4.39 -0.33 0.00 0.00 0.00 0.00 53.44 48.72 1i6d n ALA 2 Cb 0.00 -2.86 -0.14 0.00 0.00 0.00 0.00 19.45 16.45 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 2.14 4.78 0.37 0.00 -1.08 -1.26 -4.96 116.67 116.67 1i6d s ASP 3 Ca 0.39 -1.61 0.04 0.00 -0.52 0.00 0.00 52.55 50.85 1i6d s ASP 3 Cb -0.04 -1.66 0.73 0.00 -1.46 0.00 0.00 42.92 40.49 1i6d s ASP 3 CO -0.02 -0.31 2.02 -0.65 0.52 0.00 0.00 175.17 176.73 1i6d h PRO 4 N 7.85 0.72 -0.05 4.34 0.11 -1.83 -1.22 132.00 141.93 1i6d h PRO 4 Ca -0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1i6d h PRO 4 Cb 1.04 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1i6d h PRO 4 CO 0.53 0.48 0.02 0.00 -0.21 0.00 0.00 178.00 178.82 1i6d h ALA 5 N 1.65 0.06 -0.97 -0.75 0.00 -1.96 -1.39 119.26 115.91 1i6d h ALA 5 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1i6d h ALA 5 Cb -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1i6d h ALA 5 CO -0.05 -0.37 0.63 0.00 0.00 0.00 0.00 179.25 179.45 1i6d h ALA 6 N 0.90 1.30 -0.79 0.00 0.00 -1.92 -3.16 119.26 115.58 1i6d h ALA 6 Ca 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1i6d h ALA 6 Cb 0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1i6d h ALA 6 CO -0.00 0.47 0.52 0.78 0.00 0.00 0.00 179.25 181.02 1i6d h GLY 7 N 1.19 0.90 0.99 0.00 0.00 -0.99 -1.96 103.07 103.20 1i6d h GLY 7 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1i6d h GLY 7 CO -0.14 0.09 0.25 -2.09 0.00 0.00 0.00 176.54 174.64 1i6d h GLU 8 N 0.54 0.52 -0.67 4.80 4.81 -1.22 0.84 114.58 124.21 1i6d h GLU 8 Ca 0.39 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1i6d h GLU 8 Cb 0.74 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1i6d h GLU 8 CO -0.15 0.37 0.17 1.57 -0.73 0.00 0.00 179.01 180.24 1i6d h LYS 9 N 0.52 1.07 -0.83 1.92 2.10 -1.59 -3.00 116.57 116.76 1i6d h LYS 9 Ca 0.14 -0.25 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1i6d h LYS 9 Cb -0.03 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 31.12 1i6d h LYS 9 CO -0.03 0.94 0.39 0.28 -2.00 0.00 0.00 179.45 179.03 1i6d h VAL 10 N 1.02 1.26 0.00 0.07 2.07 -1.32 -2.40 116.25 116.94 1i6d h VAL 10 Ca 0.21 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1i6d h VAL 10 Cb 0.35 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1i6d h VAL 10 CO 0.00 0.31 0.14 0.33 0.02 0.00 0.00 177.57 178.38 1i6d n PHE 11 N -4.31 0.47 -0.35 1.57 -0.00 0.28 -2.78 117.46 112.34 1i6d n PHE 11 Ca 0.08 0.24 0.26 0.00 -0.00 0.00 0.00 57.45 58.03 1i6d n PHE 11 Cb 0.15 -0.79 0.53 0.00 -0.00 0.00 0.00 39.48 39.37 1i6d n PHE 11 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1i6d h GLY 12 N 0.00 1.32 2.00 7.13 0.00 -1.29 -0.48 103.07 111.76 1i6d h GLY 12 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1i6d h GLY 12 CO 0.00 -0.22 -0.24 0.50 0.00 0.00 0.00 176.54 176.58 1i6d h LYS 13 N 0.33 0.00 0.14 4.80 1.57 -1.74 -3.36 116.57 118.31 1i6d h LYS 13 Ca 0.65 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 59.11 1i6d h LYS 13 Cb 1.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 1i6d h LYS 13 CO -0.35 0.24 -1.69 0.00 -0.57 0.00 0.00 179.45 177.08 1i6d h LYS 15 N -0.08 0.00 -0.85 0.00 2.10 -1.37 -1.29 116.57 115.08 1i6d h LYS 15 Ca -0.35 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.33 1i6d h LYS 15 Cb 1.94 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.23 1i6d h LYS 15 CO 0.10 0.00 0.56 0.00 -2.00 0.00 0.00 179.45 178.11 1i6d h ALA 16 N 1.78 1.47 0.05 0.07 0.00 -1.82 -3.34 119.26 117.48 1i6d h ALA 16 Ca 0.09 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 1i6d h ALA 16 Cb 0.49 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1i6d h ALA 16 CO -0.00 0.44 -2.18 0.00 0.00 0.00 0.00 179.25 177.51 1i6d s HIS 18 N -2.54 2.74 -0.25 0.00 3.76 -0.55 -1.46 115.29 116.98 1i6d s HIS 18 Ca -0.24 -0.71 -0.05 0.00 -0.15 0.00 0.00 55.06 53.92 1i6d s HIS 18 Cb 0.08 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1i6d s HIS 18 CO 0.72 -0.23 0.00 0.15 -0.85 0.00 0.00 174.74 174.53 1i6d s LYS 19 N 0.27 3.22 0.44 1.40 1.02 -1.25 -4.19 119.74 120.64 1i6d s LYS 19 Ca -0.11 -0.75 0.10 0.00 0.02 0.00 0.00 55.97 55.23 1i6d s LYS 19 Cb -0.16 -3.15 0.97 0.00 -0.52 0.00 0.00 37.83 34.97 1i6d s LYS 19 CO 0.06 -0.31 2.06 -0.07 -0.92 0.00 0.00 175.35 176.17 1i6d h LEU 20 N 8.14 0.29 -4.79 3.17 3.38 -1.91 -3.30 115.31 120.30 1i6d h LEU 20 Ca -0.36 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.12 1i6d h LEU 20 Cb 1.14 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1i6d h LEU 20 CO 0.59 0.25 2.36 0.47 0.09 0.00 0.00 178.44 182.20 1i6d n ASP 21 N -4.46 6.88 -2.27 -0.43 8.00 -1.26 -4.32 116.55 118.69 1i6d n ASP 21 Ca 0.01 -2.47 -0.13 0.00 0.71 0.00 0.00 54.79 52.90 1i6d n ASP 21 Cb 0.10 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.12 39.79 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 3.29 -0.21 3.29 0.44 0.00 -1.26 -5.00 105.19 105.74 1i6d n GLY 22 Ca 0.61 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.05 2.89 -0.21 1.61 0.01 -1.25 -4.97 114.94 110.98 1i6d s ASN 23 Ca 0.00 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 1i6d s ASN 23 Cb 0.00 -0.32 0.04 0.00 0.41 0.00 0.00 41.25 41.38 1i6d s ASN 23 CO 0.00 0.30 -0.14 -1.81 -1.51 0.00 0.00 177.10 173.94 1i6d s ASP 24 N -0.64 3.64 0.00 -1.22 1.11 -1.26 -3.26 116.67 115.04 1i6d s ASP 24 Ca 0.10 -0.97 0.00 0.00 0.18 0.00 0.00 52.55 51.86 1i6d s ASP 24 Cb -0.09 -1.41 0.00 0.00 1.07 0.00 0.00 42.92 42.48 1i6d s ASP 24 CO -0.01 -0.11 0.00 0.61 1.18 0.00 0.00 175.17 176.84 1i6d n GLY 25 N 4.58 1.39 0.16 0.21 0.00 -1.26 -4.98 105.19 105.30 1i6d n GLY 25 Ca -0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 0.46 -1.60 1.61 2.07 -1.91 -3.46 116.25 113.42 1i6d h VAL 26 Ca 0.00 -0.96 -0.43 0.00 0.82 0.00 0.00 66.70 66.13 1i6d h VAL 26 Cb 0.00 0.78 0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1i6d h VAL 26 CO 0.00 0.12 -0.28 -0.83 0.02 0.00 0.00 177.57 176.60 1i6d s GLY 27 N -3.22 1.82 1.18 2.17 0.00 -0.53 -5.03 107.32 103.71 1i6d s GLY 27 Ca -0.09 -1.58 -0.20 0.00 0.00 0.00 0.00 44.72 42.84 1i6d s GLY 27 CO 0.33 -1.44 1.05 -1.55 0.00 0.00 0.00 173.10 171.50 1i6d n PRO 28 N -1.79 -3.03 -2.39 2.90 -0.04 -1.26 -4.56 135.00 124.83 1i6d n PRO 28 Ca 0.05 -1.69 -0.43 0.00 -0.04 0.00 0.00 63.50 61.40 1i6d n PRO 28 Cb 0.59 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1i6d n PRO 28 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1i6d s HIS 29 N -2.92 2.88 -0.56 0.54 -3.43 -1.20 -3.86 115.29 106.74 1i6d s HIS 29 Ca 0.68 0.99 0.03 0.00 -0.80 0.00 0.00 55.06 55.97 1i6d s HIS 29 Cb -0.07 -3.52 0.24 0.00 -1.43 0.00 0.00 32.58 27.80 1i6d s HIS 29 CO 0.52 -1.80 1.02 1.28 -2.00 0.00 0.00 174.74 173.77 1i6d n LEU 30 N 6.18 3.05 -4.63 5.38 4.77 -1.24 -4.81 117.00 125.69 1i6d n LEU 30 Ca 0.13 -1.56 -0.38 0.00 -0.03 0.00 0.00 56.01 54.18 1i6d n LEU 30 Cb 0.45 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1i6d n LEU 30 CO 0.56 0.47 -0.11 0.21 -1.33 0.00 0.00 177.39 177.19 1i6d s ASN 31 N -0.07 6.13 -0.24 -1.43 2.47 -1.26 -4.29 114.94 116.25 1i6d s ASN 31 Ca 0.17 0.14 -0.01 0.00 0.42 0.00 0.00 52.86 53.58 1i6d s ASN 31 Cb 0.14 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1i6d s ASN 31 CO 0.04 -0.03 0.21 0.61 -3.72 0.00 0.00 177.10 174.22 1i6d n GLY 32 N 4.59 0.54 0.10 1.21 0.00 0.21 -4.93 105.19 106.90 1i6d n GLY 32 Ca -0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.47 1.20 -2.28 1.61 3.14 -1.26 -4.61 118.33 113.66 1i6d n VAL 33 Ca -0.02 -0.56 -0.43 0.00 -2.96 0.00 0.00 64.34 60.37 1i6d n VAL 33 Cb 0.52 -0.99 -0.02 0.00 -1.06 0.00 0.00 33.84 32.28 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 -2.42 3.96 0.00 1.55 1.01 -1.26 -1.66 120.40 121.58 1i6d s VAL 34 Ca -0.21 1.11 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1i6d s VAL 34 Cb 0.06 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1i6d s VAL 34 CO 0.57 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1i6d n GLY 35 N 4.27 2.06 3.77 4.51 0.00 0.03 -5.00 105.19 114.83 1i6d n GLY 35 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.69 4.44 0.41 1.61 3.52 -0.66 -4.37 118.95 123.21 1i6d s ARG 36 Ca 0.00 2.09 -0.25 0.00 -0.13 0.00 0.00 55.73 57.44 1i6d s ARG 36 Cb 0.00 -3.11 -0.10 0.00 -1.56 0.00 0.00 34.95 30.18 1i6d s ARG 36 CO 0.00 -0.07 1.16 2.41 -0.81 0.00 0.00 175.30 177.99 1i6d n THR 37 N 0.95 2.49 -2.18 4.11 -1.04 -1.26 -0.19 114.28 117.16 1i6d n THR 37 Ca -0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1i6d n THR 37 Cb 0.43 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 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 -1.22 3.64 -1.40 12.58 1.01 -0.14 -0.93 120.40 133.93 1i6d s VAL 38 Ca 0.62 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1i6d s VAL 38 Cb -0.54 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1i6d s VAL 38 CO 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.66 1i6d n ALA 39 N 5.57 -0.21 -1.57 5.51 0.00 -1.26 -4.76 120.51 123.80 1i6d n ALA 39 Ca 0.14 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1i6d n ALA 39 Cb 0.43 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.34 4.43 2.73 0.00 0.00 -0.11 -4.66 105.19 106.24 1i6d n GLY 40 Ca -0.13 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.27 0.68 -0.59 1.61 1.01 -1.26 -4.83 120.40 115.76 1i6d s VAL 41 Ca 0.59 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1i6d s VAL 41 Cb 0.31 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1i6d s VAL 41 CO -0.15 -0.47 1.49 -1.81 0.00 0.00 0.00 175.10 174.17 1i6d s ASP 42 N 1.75 5.97 0.00 3.32 1.01 -1.26 -2.84 116.67 124.61 1i6d s ASP 42 Ca 0.05 0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.53 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 -0.19 -1.85 0.00 0.61 0.21 0.00 0.00 175.17 173.95 1i6d n GLY 43 N 5.37 3.13 3.73 0.21 0.00 -1.26 -5.12 105.19 111.23 1i6d n GLY 43 Ca 0.13 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 3.63 -0.93 1.61 5.36 -1.13 -5.03 117.98 121.48 1i6d s PHE 44 Ca 0.00 1.35 -0.23 0.00 -0.96 0.00 0.00 56.93 57.09 1i6d s PHE 44 Cb 0.00 -2.83 0.06 0.00 -0.34 0.00 0.00 43.02 39.91 1i6d s PHE 44 CO 0.00 0.14 1.33 1.21 -1.46 0.00 0.00 175.22 176.44 1i6d s ASN 45 N 0.56 6.45 0.67 6.13 2.47 -1.26 -4.91 114.94 125.04 1i6d s ASN 45 Ca 0.39 -1.37 -0.13 0.00 0.42 0.00 0.00 52.86 52.16 1i6d s ASN 45 Cb -0.19 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1i6d s ASN 45 CO 0.20 -1.47 1.08 -0.31 -3.72 0.00 0.00 177.10 172.88 1i6d s TYR 46 N 4.61 2.86 0.46 0.43 2.02 -1.26 -5.05 117.35 121.42 1i6d s TYR 46 Ca 0.40 1.51 -0.24 0.00 -0.37 0.00 0.00 57.07 58.37 1i6d s TYR 46 Cb -0.03 -3.02 -0.07 0.00 -0.40 0.00 0.00 41.96 38.44 1i6d s TYR 46 CO -0.05 -1.40 1.28 -1.54 -1.57 0.00 0.00 175.55 172.27 1i6d s SER 47 N -3.10 5.96 0.27 2.29 1.04 -1.26 -4.83 113.70 114.07 1i6d s SER 47 Ca 0.63 2.58 -0.01 0.00 0.48 0.00 0.00 55.95 59.63 1i6d s SER 47 Cb -0.17 -2.63 0.56 0.00 0.10 0.00 0.00 66.02 63.89 1i6d s SER 47 CO 0.46 -1.08 1.74 0.44 0.98 0.00 0.00 173.24 175.78 1i6d h ASP 48 N 2.12 0.44 -0.22 7.02 3.32 -1.97 -1.24 116.42 125.88 1i6d h ASP 48 Ca -0.50 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1i6d h ASP 48 Cb 1.26 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1i6d h ASP 48 CO 0.60 0.15 0.14 -0.65 -1.72 0.00 0.00 179.24 177.76 1i6d h PRO 49 N 0.54 0.31 -0.39 3.56 0.11 -1.87 0.23 132.00 134.49 1i6d h PRO 49 Ca 0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.48 1i6d h PRO 49 Cb 0.73 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1i6d h PRO 49 CO -0.40 0.22 -0.09 1.98 -0.21 0.00 0.00 178.00 179.49 1i6d h MET 50 N 0.31 0.74 -0.14 1.05 -1.53 -1.59 -2.98 114.93 110.79 1i6d h MET 50 Ca 0.08 -0.28 -0.01 0.00 -3.44 0.00 0.00 59.70 56.05 1i6d h MET 50 Cb -0.01 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 30.99 1i6d h MET 50 CO -0.02 0.88 0.06 0.87 0.14 0.00 0.00 176.91 178.84 1i6d h LYS 51 N 0.55 0.20 -0.98 0.39 1.57 -0.98 -3.19 116.57 114.14 1i6d h LYS 51 Ca 0.10 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1i6d h LYS 51 Cb 0.61 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 1i6d h LYS 51 CO 0.04 0.29 0.19 0.00 -0.57 0.00 0.00 179.45 179.40 1i6d n ALA 52 N -2.21 3.48 0.05 3.86 0.00 0.04 -4.62 120.51 121.11 1i6d n ALA 52 Ca -0.05 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.40 1i6d n ALA 52 Cb 0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 0.53 -0.20 -1.50 0.00 6.17 -1.51 -3.49 115.15 115.16 1i6d h HIS 53 Ca 0.19 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1i6d h HIS 53 Cb 1.55 0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.54 1i6d h HIS 53 CO 0.53 -0.12 0.00 0.41 0.71 0.00 0.00 177.93 179.46 1i6d n GLY 54 N 1.21 -1.44 0.00 5.26 0.00 -1.26 -5.13 105.19 103.83 1i6d n GLY 54 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.01 -2.33 3.28 -0.02 0.00 -1.26 -5.04 105.19 99.80 1i6d n GLY 55 Ca 0.00 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.76 2.26 -1.28 1.61 1.11 -1.26 -0.97 116.67 117.37 1i6d s ASP 56 Ca 0.00 -0.86 -0.17 0.00 0.18 0.00 0.00 52.55 51.70 1i6d s ASP 56 Cb 0.00 -0.10 0.09 0.00 1.07 0.00 0.00 42.92 43.98 1i6d s ASP 56 CO 0.00 -0.12 1.69 0.79 1.18 0.00 0.00 175.17 178.70 1i6d n TRP 57 N 0.33 4.69 -1.84 4.23 7.02 0.73 -4.90 117.44 127.70 1i6d n TRP 57 Ca -0.14 -2.97 -0.32 0.00 -1.02 0.00 0.00 57.50 53.06 1i6d n TRP 57 Cb 0.57 -2.53 0.02 0.00 -2.42 0.00 0.00 31.31 26.96 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 3.54 4.12 0.21 -0.99 -4.23 -1.26 -0.79 115.64 116.24 1i6d s THR 58 Ca 0.51 0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 61.74 1i6d s THR 58 Cb 0.03 -3.50 0.17 0.00 1.34 0.00 0.00 72.50 70.55 1i6d s THR 58 CO 0.06 -0.78 1.70 1.55 -0.54 0.00 0.00 174.62 176.61 1i6d h PRO 59 N -0.15 0.25 -0.50 3.99 0.13 -1.98 0.33 132.00 134.07 1i6d h PRO 59 Ca -0.45 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1i6d h PRO 59 Cb 1.21 -0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.20 1i6d h PRO 59 CO 0.58 0.17 -0.02 1.05 -0.23 0.00 0.00 178.00 179.55 1i6d h GLU 60 N 0.26 0.09 -0.33 0.86 4.11 -2.00 -0.43 114.58 117.16 1i6d h GLU 60 Ca 0.33 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.69 1i6d h GLU 60 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1i6d h GLU 60 CO -0.42 0.06 -0.04 0.00 0.07 0.00 0.00 179.01 178.68 1i6d h ALA 61 N 1.45 0.44 -0.27 1.06 0.00 -1.81 -3.07 119.26 117.06 1i6d h ALA 61 Ca 0.25 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1i6d h ALA 61 Cb 0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1i6d h ALA 61 CO -0.43 0.24 0.10 -0.07 0.00 0.00 0.00 179.25 179.08 1i6d h LEU 62 N 0.39 0.11 -1.11 0.00 3.38 -0.91 -1.64 115.31 115.53 1i6d h LEU 62 Ca 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1i6d h LEU 62 Cb 0.51 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1i6d h LEU 62 CO 0.02 0.10 0.36 0.06 0.09 0.00 0.00 178.44 179.07 1i6d h GLN 63 N 0.22 0.99 -0.31 1.13 3.07 -1.16 0.20 115.11 119.24 1i6d h GLN 63 Ca 0.12 -0.12 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 1i6d h GLN 63 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.44 1i6d h GLN 63 CO -0.12 0.74 -0.00 0.93 0.09 0.00 0.00 178.83 180.47 1i6d h GLU 64 N 0.99 0.55 -0.51 0.06 4.39 -1.54 -1.41 114.58 117.12 1i6d h GLU 64 Ca 0.25 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1i6d h GLU 64 Cb 0.06 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1i6d h GLU 64 CO -0.04 0.69 0.13 0.35 -1.16 0.00 0.00 179.01 178.99 1i6d h PHE 65 N 0.35 0.84 0.00 4.33 3.57 -1.17 -1.45 116.94 123.41 1i6d h PHE 65 Ca 0.09 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1i6d h PHE 65 Cb 0.45 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1i6d h PHE 65 CO 0.04 0.75 0.00 -0.07 -2.23 0.00 0.00 178.31 176.79 1i6d h LEU 66 N 0.70 0.00 0.27 0.59 3.38 -0.70 -1.73 115.31 117.82 1i6d h LEU 66 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1i6d h LEU 66 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i6d h LEU 66 CO 0.00 0.00 -0.13 0.74 0.09 0.00 0.00 178.44 179.14 1i6d h THR 67 N 0.00 0.50 -2.69 0.22 2.02 -1.09 0.18 112.91 112.04 1i6d h THR 67 Ca 0.00 -0.87 -0.44 0.00 0.77 0.00 0.00 66.41 65.87 1i6d h THR 67 Cb 0.44 0.83 -0.38 0.00 -1.74 0.00 0.00 68.15 67.29 1i6d h THR 67 CO 0.00 0.12 -0.72 0.21 0.37 0.00 0.00 175.52 175.51 1i6d s ASN 68 N -5.22 2.49 0.23 4.18 3.84 -0.56 -4.13 114.94 115.77 1i6d s ASN 68 Ca -0.11 -0.81 -0.07 0.00 0.21 0.00 0.00 52.86 52.07 1i6d s ASN 68 Cb 0.01 -0.03 0.29 0.00 -0.55 0.00 0.00 41.25 40.96 1i6d s ASN 68 CO 0.39 -0.39 1.84 -0.65 -2.79 0.00 0.00 177.10 175.50 1i6d h PRO 69 N 8.37 0.85 0.00 0.43 0.11 -1.52 -3.03 132.00 137.20 1i6d h PRO 69 Ca -0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1i6d h PRO 69 Cb 1.09 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1i6d h PRO 69 CO 0.35 0.56 0.00 0.87 -0.21 0.00 0.00 178.00 179.57 1i6d h LYS 70 N 0.87 0.00 -0.47 1.05 6.56 -1.89 -0.97 116.57 121.73 1i6d h LYS 70 Ca 0.34 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.87 1i6d h LYS 70 Cb 0.16 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1i6d h LYS 70 CO -0.17 0.00 0.06 0.00 -2.06 0.00 0.00 179.45 177.28 1i6d h ALA 71 N 2.04 0.62 0.00 3.86 0.00 -1.90 -3.15 119.26 120.73 1i6d h ALA 71 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1i6d h ALA 71 Cb 0.69 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i6d h ALA 71 CO 0.00 0.36 -0.01 0.28 0.00 0.00 0.00 179.25 179.88 1i6d h VAL 72 N 0.64 0.23 -3.57 0.00 2.07 -1.59 -3.43 116.25 110.60 1i6d h VAL 72 Ca 0.14 -1.17 -0.72 0.00 0.82 0.00 0.00 66.70 65.77 1i6d h VAL 72 Cb 0.41 0.43 -0.32 0.00 -1.52 0.00 0.00 31.29 30.29 1i6d h VAL 72 CO 0.01 0.08 -0.27 -0.69 0.02 0.00 0.00 177.57 176.72 1i6d s VAL 73 N -1.65 4.20 -0.41 2.57 1.01 -0.37 -5.07 120.40 120.68 1i6d s VAL 73 Ca -0.03 -2.64 -0.29 0.00 0.00 0.00 0.00 61.98 59.02 1i6d s VAL 73 Cb -0.00 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1i6d s VAL 73 CO 0.09 -0.89 1.37 -0.75 0.00 0.00 0.00 175.10 174.92 1i6d s LYS 74 N 0.24 3.62 0.00 2.72 2.20 -1.19 -2.26 119.74 125.07 1i6d s LYS 74 Ca 0.15 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 1i6d s LYS 74 Cb -0.19 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 1i6d s LYS 74 CO -0.04 -1.51 0.00 0.41 -0.36 0.00 0.00 175.35 173.84 1i6d n GLY 75 N 4.99 1.09 3.74 5.54 0.00 -1.26 -4.80 105.19 114.49 1i6d n GLY 75 Ca 0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.19 3.66 -1.50 2.61 -1.32 -0.96 -4.40 115.64 111.54 1i6d s THR 76 Ca 0.00 1.41 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 1i6d s THR 76 Cb 0.00 -3.90 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 1i6d s THR 76 CO 0.00 0.23 0.59 2.29 -2.21 0.00 0.00 174.62 175.52 1i6d n LYS 77 N 2.42 0.78 -2.57 7.08 2.85 -1.26 -4.81 118.16 122.64 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 0.45 -1.19 -0.02 0.00 -0.65 0.00 0.00 35.03 33.62 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 -1.50 3.72 -1.31 -1.58 1.75 -1.26 -4.98 119.30 114.13 1i6d s MET 78 Ca 0.00 0.63 -0.16 0.00 -1.25 0.00 0.00 55.69 54.91 1i6d s MET 78 Cb 0.00 -3.91 0.08 0.00 2.84 0.00 0.00 34.83 33.84 1i6d s MET 78 CO 0.00 -1.39 1.78 0.00 -0.65 0.00 0.00 175.02 174.77 1i6d n ALA 79 N 7.92 4.00 -3.74 4.11 0.00 -1.26 -4.91 120.51 126.63 1i6d n ALA 79 Ca 0.13 -3.93 -0.15 0.00 0.00 0.00 0.00 53.44 49.49 1i6d n ALA 79 Cb 0.49 -3.49 -0.15 0.00 0.00 0.00 0.00 19.45 16.29 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 3.53 -0.11 -0.07 0.00 5.36 -1.26 -5.10 117.98 120.33 1i6d s PHE 80 Ca 0.51 0.41 -0.04 0.00 -0.96 0.00 0.00 56.93 56.85 1i6d s PHE 80 Cb 0.05 -0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.55 1i6d s PHE 80 CO 0.04 -0.17 0.17 0.00 -1.46 0.00 0.00 175.22 173.81 1i6d h ALA 81 N 7.47 -0.15 0.00 11.12 0.00 -1.94 -3.41 119.26 132.35 1i6d h ALA 81 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i6d h ALA 81 Cb 1.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i6d h ALA 81 CO 0.38 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1i6d n GLY 82 N 1.42 1.74 3.37 0.00 0.00 -1.26 -4.37 105.19 106.09 1i6d n GLY 82 Ca -0.02 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.97 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 5.70 0.23 0.99 1.43 0.61 -4.99 118.68 122.65 1i6d s LEU 83 Ca 0.00 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.68 1i6d s LEU 83 Cb 0.00 -2.24 0.23 0.00 0.03 0.00 0.00 46.19 44.21 1i6d s LEU 83 CO 0.00 -0.81 1.57 1.55 0.23 0.00 0.00 176.35 178.89 1i6d h PRO 84 N 8.88 0.38 -6.28 1.29 0.13 -1.90 -3.40 132.00 131.10 1i6d h PRO 84 Ca -0.29 -0.23 -0.56 0.00 -0.87 0.00 0.00 66.00 64.05 1i6d h PRO 84 Cb 1.10 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 84 CO 0.97 0.82 0.67 0.15 -0.23 0.00 0.00 178.00 180.38 1i6d s LYS 85 N -3.95 4.36 0.25 0.86 1.02 -1.26 -4.98 119.74 116.05 1i6d s LYS 85 Ca -0.06 1.57 -0.03 0.00 0.02 0.00 0.00 55.97 57.48 1i6d s LYS 85 Cb 0.12 -3.56 0.48 0.00 -0.52 0.00 0.00 37.83 34.35 1i6d s LYS 85 CO 0.81 -0.42 1.73 0.97 -0.92 0.00 0.00 175.35 177.52 1i6d h ILE 86 N 5.07 0.65 -0.46 2.17 6.09 -2.00 -2.29 117.51 126.74 1i6d h ILE 86 Ca -0.32 -0.16 0.06 0.00 -1.37 0.00 0.00 64.86 63.07 1i6d h ILE 86 Cb 1.15 0.15 -0.05 0.00 0.47 0.00 0.00 36.82 38.54 1i6d h ILE 86 CO 0.88 0.08 0.15 -0.33 -3.07 0.00 0.00 178.15 175.87 1i6d h GLU 87 N 0.46 0.31 -0.64 2.19 4.39 -1.93 -0.10 114.58 119.26 1i6d h GLU 87 Ca 0.43 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.13 1i6d h GLU 87 Cb 0.66 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1i6d h GLU 87 CO -0.41 0.20 0.41 -0.44 -1.16 0.00 0.00 179.01 177.61 1i6d h ASP 88 N 0.32 0.68 0.27 1.42 5.19 -1.84 0.03 116.42 122.48 1i6d h ASP 88 Ca 0.22 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1i6d h ASP 88 Cb 0.24 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1i6d h ASP 88 CO -0.24 0.48 -0.13 0.03 -3.12 0.00 0.00 179.24 176.26 1i6d h ARG 89 N 0.81 -0.35 -0.99 3.56 3.08 -1.27 -2.03 114.38 117.18 1i6d h ARG 89 Ca 0.25 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.38 1i6d h ARG 89 Cb -0.03 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1i6d h ARG 89 CO -0.08 -0.24 0.64 0.00 -1.07 0.00 0.00 179.97 179.23 1i6d h ALA 90 N 0.37 1.36 0.28 0.04 0.00 -1.01 -0.69 119.26 119.62 1i6d h ALA 90 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i6d h ALA 90 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1i6d h ALA 90 CO 0.06 0.47 -0.29 -0.91 0.00 0.00 0.00 179.25 178.58 1i6d h ASN 91 N 1.20 -0.79 -0.36 0.00 -0.26 -0.22 -1.49 115.58 113.65 1i6d h ASN 91 Ca 0.42 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 1i6d h ASN 91 Cb 0.11 0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1i6d h ASN 91 CO -0.16 -0.42 0.23 0.25 -1.06 0.00 0.00 177.43 176.28 1i6d h LEU 92 N -0.61 0.42 -0.94 1.61 6.46 -1.28 -2.05 115.31 118.92 1i6d h LEU 92 Ca -0.01 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1i6d h LEU 92 Cb 0.56 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1i6d h LEU 92 CO -0.06 0.32 0.58 0.40 -0.62 0.00 0.00 178.44 179.05 1i6d h ILE 93 N 0.49 1.25 -0.74 4.05 2.04 -1.17 0.49 117.51 123.91 1i6d h ILE 93 Ca 0.13 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.54 1i6d h ILE 93 Cb -0.04 -0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 35.89 1i6d h ILE 93 CO -0.03 0.26 0.41 0.00 0.00 0.00 0.00 178.15 178.80 1i6d h ALA 94 N 1.32 1.03 -0.75 1.87 0.00 -1.20 0.06 119.26 121.59 1i6d h ALA 94 Ca 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1i6d h ALA 94 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1i6d h ALA 94 CO -0.07 0.06 0.44 -0.92 0.00 0.00 0.00 179.25 178.76 1i6d h TYR 95 N 0.72 1.01 -0.41 0.00 3.20 -0.88 -1.57 116.97 119.03 1i6d h TYR 95 Ca 0.35 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 1i6d h TYR 95 Cb 0.29 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1i6d h TYR 95 CO -0.08 0.69 0.14 -0.07 -1.64 0.00 0.00 178.16 177.20 1i6d h LEU 96 N 1.03 0.53 -1.00 2.82 3.38 -0.73 -1.82 115.31 119.52 1i6d h LEU 96 Ca 0.27 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1i6d h LEU 96 Cb -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1i6d h LEU 96 CO -0.05 0.50 0.20 -0.33 0.09 0.00 0.00 178.44 178.85 1i6d h GLU 97 N 0.58 0.92 0.00 1.13 5.08 -0.88 -2.56 114.58 118.85 1i6d h GLU 97 Ca 0.14 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1i6d h GLU 97 Cb 0.15 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1i6d h GLU 97 CO -0.01 0.79 0.00 0.41 -1.00 0.00 0.00 179.01 179.20 1i6d n GLY 98 N -0.90 -0.86 2.57 -3.84 0.00 -0.60 -3.85 105.19 97.71 1i6d n GLY 98 Ca 0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1i6d n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i6d n GLN 99 N -1.59 2.62 0.00 1.61 1.13 -0.71 -5.08 117.38 115.36 1i6d n GLN 99 Ca 0.02 -4.62 0.00 0.00 -1.94 0.00 0.00 57.00 50.46 1i6d n GLN 99 Cb 0.11 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.29 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56