#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 -2.93 -0.27 3.04 0.00 -1.26 -4.55 121.76 115.79 1i6d s ALA 2 Ca 0.00 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 1i6d s ALA 2 Cb 0.00 -2.48 0.12 0.00 0.00 0.00 0.00 23.12 20.75 1i6d s ALA 2 CO 0.00 -1.65 0.25 0.34 0.00 0.00 0.00 175.76 174.69 1i6d s ASP 3 N 2.89 1.93 0.39 0.00 -1.08 -1.26 -4.98 116.67 114.56 1i6d s ASP 3 Ca 0.14 -0.71 0.06 0.00 -0.52 0.00 0.00 52.55 51.52 1i6d s ASP 3 Cb -0.10 0.33 0.80 0.00 -1.46 0.00 0.00 42.92 42.48 1i6d s ASP 3 CO -0.20 -0.38 2.02 -0.65 0.52 0.00 0.00 175.17 176.48 1i6d h PRO 4 N 8.30 0.56 0.06 4.34 0.11 -1.86 -0.81 132.00 142.71 1i6d h PRO 4 Ca -0.15 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 1i6d h PRO 4 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1i6d h PRO 4 CO 0.34 0.41 -0.03 0.00 -0.21 0.00 0.00 178.00 178.51 1i6d h ALA 5 N 1.69 -0.08 -0.46 -0.75 0.00 -1.97 -0.66 119.26 117.02 1i6d h ALA 5 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i6d h ALA 5 Cb 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1i6d h ALA 5 CO -0.03 -0.46 0.28 0.00 0.00 0.00 0.00 179.25 179.05 1i6d h ALA 6 N 0.68 1.62 -0.84 0.00 0.00 -1.93 -2.99 119.26 115.80 1i6d h ALA 6 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1i6d h ALA 6 Cb 0.22 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1i6d h ALA 6 CO 0.01 0.33 0.49 0.78 0.00 0.00 0.00 179.25 180.86 1i6d h GLY 7 N 0.67 1.31 0.69 0.00 0.00 -0.99 -1.05 103.07 103.70 1i6d h GLY 7 Ca 0.17 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1i6d h GLY 7 CO -0.03 0.14 0.53 -2.09 0.00 0.00 0.00 176.54 175.09 1i6d h GLU 8 N 0.82 0.93 -0.15 4.80 4.22 -1.01 0.67 114.58 124.85 1i6d h GLU 8 Ca 0.40 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.79 1i6d h GLU 8 Cb 0.36 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1i6d h GLU 8 CO -0.24 0.61 0.08 0.87 -2.18 0.00 0.00 179.01 178.15 1i6d h LYS 9 N 0.95 0.21 -0.80 1.92 1.57 -1.33 -2.77 116.57 116.32 1i6d h LYS 9 Ca 0.38 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1i6d h LYS 9 Cb 0.21 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1i6d h LYS 9 CO -0.19 0.21 0.52 0.28 -0.57 0.00 0.00 179.45 179.70 1i6d h VAL 10 N 0.15 1.15 0.00 0.50 2.07 -1.15 -2.38 116.25 116.59 1i6d h VAL 10 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1i6d h VAL 10 Cb 0.06 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1i6d h VAL 10 CO -0.01 0.19 0.06 0.33 0.02 0.00 0.00 177.57 178.16 1i6d n PHE 11 N -4.57 0.62 -0.33 1.57 -0.00 0.22 -2.35 117.46 112.63 1i6d n PHE 11 Ca 0.09 0.33 0.25 0.00 -0.00 0.00 0.00 57.45 58.12 1i6d n PHE 11 Cb 0.06 -0.98 0.48 0.00 -0.00 0.00 0.00 39.48 39.04 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 1.98 1.32 7.13 0.00 -1.13 -0.18 103.07 112.20 1i6d h GLY 12 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1i6d h GLY 12 CO 0.00 -0.62 0.17 0.50 0.00 0.00 0.00 176.54 176.59 1i6d h LYS 13 N 0.14 0.87 0.13 4.80 1.57 -1.68 -3.36 116.57 119.03 1i6d h LYS 13 Ca 0.75 -0.16 -0.22 0.00 -1.87 0.00 0.00 60.65 59.15 1i6d h LYS 13 Cb 1.80 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 34.00 1i6d h LYS 13 CO -0.72 0.75 -0.92 0.00 -0.57 0.00 0.00 179.45 177.99 1i6d h LYS 15 N -0.16 0.00 -0.64 0.00 2.10 -1.23 -0.27 116.57 116.36 1i6d h LYS 15 Ca -0.15 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1i6d h LYS 15 Cb 1.69 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.98 1i6d h LYS 15 CO 0.18 0.00 0.43 0.00 -2.00 0.00 0.00 179.45 178.05 1i6d h ALA 16 N 1.81 1.85 0.00 0.07 0.00 -1.77 -3.35 119.26 117.86 1i6d h ALA 16 Ca 0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1i6d h ALA 16 Cb 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1i6d h ALA 16 CO -0.00 0.03 -2.17 0.00 0.00 0.00 0.00 179.25 177.11 1i6d s HIS 18 N -2.41 2.81 -0.20 0.00 3.76 -0.20 -1.34 115.29 117.71 1i6d s HIS 18 Ca -0.24 -0.57 -0.07 0.00 -0.15 0.00 0.00 55.06 54.04 1i6d s HIS 18 Cb 0.07 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1i6d s HIS 18 CO 0.52 -0.16 0.05 0.15 -0.85 0.00 0.00 174.74 174.45 1i6d s LYS 19 N 0.23 3.80 0.09 1.40 -0.14 -1.26 -4.11 119.74 119.75 1i6d s LYS 19 Ca -0.08 -0.43 0.28 0.00 -1.36 0.00 0.00 55.97 54.38 1i6d s LYS 19 Cb -0.15 -3.20 1.03 0.00 -1.68 0.00 0.00 37.83 33.83 1i6d s LYS 19 CO 0.05 0.09 1.85 1.28 -0.76 0.00 0.00 175.35 177.86 1i6d n LEU 20 N 4.06 0.36 -3.38 3.17 4.77 -1.26 -3.46 117.00 121.26 1i6d n LEU 20 Ca -0.16 0.52 -0.39 0.00 -0.03 0.00 0.00 56.01 55.95 1i6d n LEU 20 Cb 0.52 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1i6d n LEU 20 CO 0.33 -0.08 1.91 0.47 -1.33 0.00 0.00 177.39 178.69 1i6d n ASP 21 N -1.83 7.60 -2.92 -1.43 9.92 -1.26 -4.52 116.55 122.11 1i6d n ASP 21 Ca 0.06 -3.40 -0.20 0.00 -0.53 0.00 0.00 54.79 50.73 1i6d n ASP 21 Cb 0.38 -1.26 0.01 0.00 -0.64 0.00 0.00 41.12 39.61 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 0.82 -0.50 3.36 0.44 0.00 -1.26 -5.01 105.19 103.05 1i6d n GLY 22 Ca 0.55 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.46 3.41 -0.25 1.61 0.01 -1.26 -4.97 114.94 111.04 1i6d s ASN 23 Ca 0.22 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1i6d s ASN 23 Cb -0.11 -0.59 0.05 0.00 0.41 0.00 0.00 41.25 41.00 1i6d s ASN 23 CO 0.28 0.32 -0.12 -1.81 -1.51 0.00 0.00 177.10 174.26 1i6d s ASP 24 N -0.58 4.20 0.00 -1.22 1.01 -1.26 -3.42 116.67 115.39 1i6d s ASP 24 Ca 0.09 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.14 1i6d s ASP 24 Cb -0.11 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1i6d s ASP 24 CO 0.00 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1i6d n GLY 25 N 4.50 1.11 0.18 0.21 0.00 -1.26 -4.92 105.19 105.00 1i6d n GLY 25 Ca -0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 0.27 -1.69 1.61 2.07 -1.93 -3.46 116.25 113.11 1i6d h VAL 26 Ca 0.00 -0.85 -0.46 0.00 0.82 0.00 0.00 66.70 66.20 1i6d h VAL 26 Cb 0.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1i6d h VAL 26 CO 0.00 0.07 -0.37 -0.83 0.02 0.00 0.00 177.57 176.47 1i6d s GLY 27 N -3.16 1.83 1.07 2.17 0.00 -0.45 -5.02 107.32 103.76 1i6d s GLY 27 Ca -0.08 -1.65 -0.15 0.00 0.00 0.00 0.00 44.72 42.85 1i6d s GLY 27 CO 0.27 -1.53 1.10 2.56 0.00 0.00 0.00 173.10 175.51 1i6d s PRO 28 N -4.14 -0.12 -0.42 2.90 0.04 -1.26 -4.61 135.00 127.39 1i6d s PRO 28 Ca 0.46 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1i6d s PRO 28 Cb -0.07 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1i6d s PRO 28 CO 0.29 -3.05 1.45 -3.38 0.04 0.00 0.00 177.00 172.35 1i6d s HIS 29 N -3.00 2.34 -1.38 0.56 -3.43 -1.22 -4.11 115.29 105.05 1i6d s HIS 29 Ca 0.67 0.66 0.24 0.00 -0.80 0.00 0.00 55.06 55.83 1i6d s HIS 29 Cb -0.16 -4.31 1.21 0.00 -1.43 0.00 0.00 32.58 27.90 1i6d s HIS 29 CO 0.57 -2.06 1.81 1.28 -2.00 0.00 0.00 174.74 174.34 1i6d n LEU 30 N 9.03 0.00 -4.66 5.38 4.77 -1.22 -4.74 117.00 125.55 1i6d n LEU 30 Ca 0.17 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 56.04 1i6d n LEU 30 Cb 0.48 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1i6d n LEU 30 CO 0.70 -0.06 1.54 0.54 -1.33 0.00 0.00 177.39 178.78 1i6d s ASN 31 N -2.62 6.49 -0.15 -1.43 4.22 -1.26 -2.84 114.94 117.35 1i6d s ASN 31 Ca 0.22 2.61 0.00 0.00 -2.14 0.00 0.00 52.86 53.55 1i6d s ASN 31 Cb 0.16 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.16 1i6d s ASN 31 CO 0.38 -1.02 0.00 0.61 -2.04 0.00 0.00 177.10 175.03 1i6d n GLY 32 N 4.42 0.44 0.10 0.45 0.00 -0.42 -4.97 105.19 105.22 1i6d n GLY 32 Ca 0.19 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.56 -2.86 1.61 3.04 -1.75 -3.41 116.25 114.43 1i6d h VAL 33 Ca -0.03 -3.01 -0.56 0.00 -1.01 0.00 0.00 66.70 62.08 1i6d h VAL 33 Cb 0.37 2.76 -0.03 0.00 -2.01 0.00 0.00 31.29 32.37 1i6d h VAL 33 CO 0.05 0.87 1.04 -0.69 -1.01 0.00 0.00 177.57 177.83 1i6d s VAL 34 N -2.86 3.89 0.00 1.51 1.01 -1.26 -1.62 120.40 121.07 1i6d s VAL 34 Ca -0.02 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1i6d s VAL 34 Cb 0.09 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1i6d s VAL 34 CO 0.85 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1i6d n GLY 35 N 4.32 1.48 3.86 4.51 0.00 0.11 -4.99 105.19 114.47 1i6d n GLY 35 Ca 0.17 0.00 -0.33 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 -0.37 3.93 0.50 1.61 3.52 -0.64 -4.52 118.95 122.99 1i6d s ARG 36 Ca 0.00 0.50 -0.23 0.00 -0.13 0.00 0.00 55.73 55.86 1i6d s ARG 36 Cb 0.00 -2.60 -0.07 0.00 -1.56 0.00 0.00 34.95 30.72 1i6d s ARG 36 CO 0.00 0.27 1.38 2.41 -0.81 0.00 0.00 175.30 178.55 1i6d n THR 37 N -0.08 3.35 -2.05 4.11 -1.04 -1.26 -0.66 114.28 116.65 1i6d n THR 37 Ca 0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 1i6d n THR 37 Cb 0.53 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 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 -1.25 3.55 -1.22 12.58 1.01 -0.39 -1.16 120.40 133.51 1i6d s VAL 38 Ca 0.67 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1i6d s VAL 38 Cb -0.44 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1i6d s VAL 38 CO 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.58 1i6d n ALA 39 N 6.57 -0.18 -2.07 5.51 0.00 -1.26 -4.76 120.51 124.32 1i6d n ALA 39 Ca 0.16 0.19 -0.38 0.00 0.00 0.00 0.00 53.44 53.41 1i6d n ALA 39 Cb 0.43 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.29 5.34 2.83 0.00 0.00 -0.31 -4.85 105.19 106.91 1i6d n GLY 40 Ca -0.11 -2.20 -0.24 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.55 0.58 -0.49 1.61 1.01 -1.26 -4.75 120.40 114.54 1i6d s VAL 41 Ca 0.51 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 1i6d s VAL 41 Cb 0.24 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1i6d s VAL 41 CO -0.16 0.29 1.08 -1.81 0.00 0.00 0.00 175.10 174.50 1i6d s ASP 42 N 1.75 6.57 0.00 3.32 1.11 -1.26 -3.81 116.67 124.35 1i6d s ASP 42 Ca 0.03 0.31 0.00 0.00 0.18 0.00 0.00 52.55 53.06 1i6d s ASP 42 Cb -0.13 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1i6d s ASP 42 CO -0.05 -1.22 0.00 0.61 1.18 0.00 0.00 175.17 175.69 1i6d n GLY 43 N 4.91 3.15 3.72 0.21 0.00 -1.26 -5.14 105.19 110.78 1i6d n GLY 43 Ca 0.10 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 3.29 -0.91 1.61 5.36 -1.25 -4.86 117.98 121.22 1i6d s PHE 44 Ca 0.00 0.25 -0.23 0.00 -0.96 0.00 0.00 56.93 55.99 1i6d s PHE 44 Cb 0.00 -1.88 0.07 0.00 -0.34 0.00 0.00 43.02 40.87 1i6d s PHE 44 CO 0.00 0.48 1.29 1.21 -1.46 0.00 0.00 175.22 176.74 1i6d s ASN 45 N -0.70 6.43 0.56 6.13 2.47 -1.26 -4.94 114.94 123.63 1i6d s ASN 45 Ca 0.12 -1.36 -0.18 0.00 0.42 0.00 0.00 52.86 51.86 1i6d s ASN 45 Cb -0.12 -2.51 -0.05 0.00 -1.45 0.00 0.00 41.25 37.12 1i6d s ASN 45 CO 0.02 -1.46 1.08 -0.31 -3.72 0.00 0.00 177.10 172.71 1i6d s TYR 46 N 4.48 2.86 0.53 0.43 2.02 -1.26 -5.05 117.35 121.36 1i6d s TYR 46 Ca 0.38 1.55 -0.20 0.00 -0.37 0.00 0.00 57.07 58.43 1i6d s TYR 46 Cb -0.04 -3.12 -0.06 0.00 -0.40 0.00 0.00 41.96 38.34 1i6d s TYR 46 CO -0.03 -1.22 1.14 -1.54 -1.57 0.00 0.00 175.55 172.32 1i6d s SER 47 N -2.25 5.77 0.21 2.29 1.04 -1.26 -4.86 113.70 114.64 1i6d s SER 47 Ca 0.68 2.20 -0.09 0.00 0.48 0.00 0.00 55.95 59.21 1i6d s SER 47 Cb -0.19 -2.58 0.29 0.00 0.10 0.00 0.00 66.02 63.63 1i6d s SER 47 CO 0.30 -1.19 1.74 0.44 0.98 0.00 0.00 173.24 175.51 1i6d h ASP 48 N 1.31 0.22 0.03 7.02 3.32 -1.97 -1.11 116.42 125.24 1i6d h ASP 48 Ca -0.50 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1i6d h ASP 48 Cb 1.26 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1i6d h ASP 48 CO 0.57 0.13 -0.09 -0.65 -1.72 0.00 0.00 179.24 177.48 1i6d h PRO 49 N 0.41 0.17 -0.43 3.56 0.11 -1.86 -0.06 132.00 133.89 1i6d h PRO 49 Ca 0.31 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 1i6d h PRO 49 Cb 0.39 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1i6d h PRO 49 CO -0.31 0.27 0.02 1.98 -0.21 0.00 0.00 178.00 179.75 1i6d h MET 50 N 0.16 0.74 -0.22 1.05 4.05 -1.74 -2.83 114.93 116.14 1i6d h MET 50 Ca 0.04 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1i6d h MET 50 Cb 0.28 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1i6d h MET 50 CO 0.01 0.80 0.05 0.87 0.23 0.00 0.00 176.91 178.88 1i6d h LYS 51 N 0.58 0.35 -0.90 0.39 1.57 -1.04 -3.21 116.57 114.31 1i6d h LYS 51 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1i6d h LYS 51 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1i6d h LYS 51 CO 0.02 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 1i6d n ALA 52 N -2.29 2.58 0.08 3.86 0.00 -0.05 -4.48 120.51 120.21 1i6d n ALA 52 Ca -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1i6d n ALA 52 Cb 0.18 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 0.26 -0.27 -2.12 0.00 6.17 -1.50 -3.49 115.15 114.20 1i6d h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1i6d h HIS 53 Cb 0.56 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.57 1i6d h HIS 53 CO 0.07 -0.04 0.00 0.41 0.71 0.00 0.00 177.93 179.08 1i6d n GLY 54 N 0.90 -1.91 0.00 5.26 0.00 -1.26 -5.14 105.19 103.04 1i6d n GLY 54 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.03 -1.63 3.18 -0.02 0.00 -1.26 -5.05 105.19 100.38 1i6d n GLY 55 Ca 0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.57 1.69 -1.32 1.61 1.11 -1.26 -1.26 116.67 115.66 1i6d s ASP 56 Ca 0.00 -0.66 -0.15 0.00 0.18 0.00 0.00 52.55 51.92 1i6d s ASP 56 Cb 0.00 -0.05 0.09 0.00 1.07 0.00 0.00 42.92 44.03 1i6d s ASP 56 CO 0.00 -0.10 1.82 0.79 1.18 0.00 0.00 175.17 178.86 1i6d n TRP 57 N 1.12 4.27 -1.51 4.23 7.02 0.17 -4.89 117.44 127.84 1i6d n TRP 57 Ca -0.20 -2.96 -0.31 0.00 -1.02 0.00 0.00 57.50 53.01 1i6d n TRP 57 Cb 0.55 -2.48 0.06 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 3.14 3.75 0.21 -0.99 -4.23 -1.26 -0.71 115.64 115.55 1i6d s THR 58 Ca 0.49 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.49 1i6d s THR 58 Cb 0.06 -3.23 0.19 0.00 1.34 0.00 0.00 72.50 70.87 1i6d s THR 58 CO 0.02 -0.71 1.67 1.55 -0.54 0.00 0.00 174.62 176.60 1i6d h PRO 59 N -0.73 0.13 -0.29 3.99 0.13 -1.99 0.25 132.00 133.49 1i6d h PRO 59 Ca -0.44 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1i6d h PRO 59 Cb 1.22 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 59 CO 0.55 0.09 -0.16 1.05 -0.23 0.00 0.00 178.00 179.30 1i6d h GLU 60 N 0.14 -0.12 -0.38 0.86 4.11 -1.99 -0.96 114.58 116.24 1i6d h GLU 60 Ca 0.32 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.73 1i6d h GLU 60 Cb 0.52 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1i6d h GLU 60 CO -0.51 -0.08 0.13 0.00 0.07 0.00 0.00 179.01 178.62 1i6d h ALA 61 N 1.08 0.50 -0.23 1.06 0.00 -1.81 -2.51 119.26 117.36 1i6d h ALA 61 Ca 0.15 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1i6d h ALA 61 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1i6d h ALA 61 CO -0.36 0.14 0.03 -0.07 0.00 0.00 0.00 179.25 178.99 1i6d h LEU 62 N 0.47 -0.01 -1.10 0.00 3.38 -0.97 -1.39 115.31 115.69 1i6d h LEU 62 Ca 0.12 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1i6d h LEU 62 Cb 0.24 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1i6d h LEU 62 CO -0.01 0.03 0.06 0.06 0.09 0.00 0.00 178.44 178.67 1i6d h GLN 63 N 0.12 0.70 0.33 1.13 -0.00 -1.21 0.79 115.11 116.97 1i6d h GLN 63 Ca 0.10 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1i6d h GLN 63 Cb 0.11 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1i6d h GLN 63 CO -0.15 0.67 -0.16 0.93 -0.00 0.00 0.00 178.83 180.13 1i6d h GLU 64 N 0.67 -0.42 -0.85 0.06 5.08 -1.44 -1.85 114.58 115.83 1i6d h GLU 64 Ca 0.15 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1i6d h GLU 64 Cb 0.32 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1i6d h GLU 64 CO 0.01 -0.26 0.55 0.35 -1.00 0.00 0.00 179.01 178.66 1i6d h PHE 65 N -0.48 1.04 0.00 4.33 3.57 -1.15 -2.39 116.94 121.86 1i6d h PHE 65 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i6d h PHE 65 Cb 0.36 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1i6d h PHE 65 CO -0.04 0.61 0.00 1.28 -2.23 0.00 0.00 178.31 177.93 1i6d n LEU 66 N -4.54 0.03 0.09 0.59 4.77 0.26 -1.38 117.00 116.82 1i6d n LEU 66 Ca 0.10 0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1i6d n LEU 66 Cb 0.07 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1i6d n LEU 66 CO 0.35 -0.16 0.27 0.74 -1.33 0.00 0.00 177.39 177.25 1i6d h THR 67 N 0.00 0.43 -2.76 -5.08 2.02 -0.84 0.18 112.91 106.87 1i6d h THR 67 Ca 0.00 -0.95 -0.44 0.00 0.77 0.00 0.00 66.41 65.79 1i6d h THR 67 Cb 0.35 0.73 -0.39 0.00 -1.74 0.00 0.00 68.15 67.11 1i6d h THR 67 CO 0.00 0.12 -0.73 0.21 0.37 0.00 0.00 175.52 175.49 1i6d s ASN 68 N -5.30 2.52 0.21 4.18 3.84 -1.01 -4.17 114.94 115.22 1i6d s ASN 68 Ca -0.09 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.18 1i6d s ASN 68 Cb 0.00 -0.08 0.18 0.00 -0.55 0.00 0.00 41.25 40.80 1i6d s ASN 68 CO 0.32 -0.38 1.53 1.55 -2.79 0.00 0.00 177.10 177.33 1i6d h PRO 69 N 8.38 0.41 -0.45 0.43 0.13 -1.43 -3.01 132.00 136.45 1i6d h PRO 69 Ca -0.17 -0.27 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 1i6d h PRO 69 Cb 1.09 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 69 CO 0.35 0.87 0.01 0.87 -0.23 0.00 0.00 178.00 179.87 1i6d h LYS 70 N 0.31 0.73 -0.36 0.86 6.56 -1.86 -1.60 116.57 121.22 1i6d h LYS 70 Ca 0.00 -0.18 -0.07 0.00 -1.06 0.00 0.00 60.65 59.33 1i6d h LYS 70 Cb 1.10 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.65 1i6d h LYS 70 CO 0.10 0.74 -0.06 0.00 -2.06 0.00 0.00 179.45 178.16 1i6d h ALA 71 N 1.32 0.49 0.16 3.86 0.00 -1.97 -3.29 119.26 119.83 1i6d h ALA 71 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1i6d h ALA 71 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1i6d h ALA 71 CO 0.02 0.32 -0.08 0.28 0.00 0.00 0.00 179.25 179.79 1i6d h VAL 72 N 0.48 0.90 -3.21 0.00 2.07 -1.52 -3.39 116.25 111.57 1i6d h VAL 72 Ca 0.09 -1.10 -0.74 0.00 0.82 0.00 0.00 66.70 65.77 1i6d h VAL 72 Cb 0.56 1.49 -0.27 0.00 -1.52 0.00 0.00 31.29 31.55 1i6d h VAL 72 CO 0.03 0.22 -0.30 -0.69 0.02 0.00 0.00 177.57 176.86 1i6d s VAL 73 N -3.59 4.72 -0.76 2.57 1.01 -0.60 -5.05 120.40 118.69 1i6d s VAL 73 Ca -0.13 -1.68 -0.26 0.00 0.00 0.00 0.00 61.98 59.91 1i6d s VAL 73 Cb 0.01 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1i6d s VAL 73 CO 0.50 -0.83 1.64 -1.59 0.00 0.00 0.00 175.10 174.83 1i6d s LYS 74 N 1.44 2.92 0.00 2.72 -2.85 -1.24 -2.31 119.74 120.43 1i6d s LYS 74 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 1i6d s LYS 74 Cb -0.28 -4.59 0.00 0.00 -2.06 0.00 0.00 37.83 30.91 1i6d s LYS 74 CO 0.01 -2.60 0.00 0.41 0.10 0.00 0.00 175.35 173.27 1i6d n GLY 75 N 5.98 1.45 3.77 0.59 0.00 -1.26 -4.78 105.19 110.94 1i6d n GLY 75 Ca 0.20 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 3.26 -2.00 2.61 -1.32 -0.98 -4.54 115.64 110.61 1i6d s THR 76 Ca 0.00 1.10 0.10 0.00 -1.21 0.00 0.00 61.69 61.69 1i6d s THR 76 Cb 0.00 -3.64 0.29 0.00 -1.51 0.00 0.00 72.50 67.64 1i6d s THR 76 CO 0.00 0.14 1.26 2.29 -2.21 0.00 0.00 174.62 176.10 1i6d n LYS 77 N 0.35 0.83 -2.33 7.08 2.85 -1.26 -4.86 118.16 120.82 1i6d n LYS 77 Ca 0.03 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.86 1i6d n LYS 77 Cb 0.46 -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 -2.00 3.47 -1.33 -1.58 1.75 -1.26 -4.96 119.30 113.39 1i6d s MET 78 Ca 0.15 0.84 -0.17 0.00 -1.25 0.00 0.00 55.69 55.27 1i6d s MET 78 Cb 0.07 -4.07 0.07 0.00 2.84 0.00 0.00 34.83 33.74 1i6d s MET 78 CO 0.12 -1.70 1.85 0.00 -0.65 0.00 0.00 175.02 174.64 1i6d n ALA 79 N 9.18 4.09 -3.74 4.11 0.00 -1.26 -4.86 120.51 128.03 1i6d n ALA 79 Ca 0.16 -3.89 -0.14 0.00 0.00 0.00 0.00 53.44 49.58 1i6d n ALA 79 Cb 0.48 -3.55 -0.14 0.00 0.00 0.00 0.00 19.45 16.24 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 3.77 -0.19 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.49 1i6d s PHE 80 Ca 0.51 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 1i6d s PHE 80 Cb 0.06 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.65 1i6d s PHE 80 CO 0.03 -0.18 0.17 0.00 -1.46 0.00 0.00 175.22 173.78 1i6d h ALA 81 N 7.29 -0.15 0.00 11.12 0.00 -1.94 -3.41 119.26 132.17 1i6d h ALA 81 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1i6d h ALA 81 Cb 1.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i6d h ALA 81 CO 0.40 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1i6d n GLY 82 N 1.43 1.97 3.30 0.00 0.00 -1.26 -4.37 105.19 106.26 1i6d n GLY 82 Ca -0.02 -0.62 -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 6.19 0.18 0.99 1.43 0.65 -5.00 118.68 123.12 1i6d s LEU 83 Ca 0.00 -1.93 -0.05 0.00 -1.03 0.00 0.00 54.13 51.11 1i6d s LEU 83 Cb 0.00 -2.18 0.09 0.00 0.03 0.00 0.00 46.19 44.13 1i6d s LEU 83 CO 0.00 -0.80 1.52 1.55 0.23 0.00 0.00 176.35 178.85 1i6d h PRO 84 N 8.67 0.68 -6.16 1.29 0.13 -1.90 -3.41 132.00 131.29 1i6d h PRO 84 Ca -0.23 -0.38 -0.57 0.00 -0.87 0.00 0.00 66.00 63.94 1i6d h PRO 84 Cb 1.09 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 1i6d h PRO 84 CO 0.98 1.00 0.66 0.15 -0.23 0.00 0.00 178.00 180.55 1i6d s LYS 85 N -4.18 4.34 0.44 0.86 1.02 -1.26 -4.98 119.74 115.98 1i6d s LYS 85 Ca -0.08 1.36 0.14 0.00 0.02 0.00 0.00 55.97 57.40 1i6d s LYS 85 Cb 0.11 -3.59 1.03 0.00 -0.52 0.00 0.00 37.83 34.87 1i6d s LYS 85 CO 0.85 -0.46 1.99 0.97 -0.92 0.00 0.00 175.35 177.78 1i6d h ILE 86 N 5.26 0.91 -0.59 2.17 2.10 -2.00 -2.69 117.51 122.66 1i6d h ILE 86 Ca -0.26 -0.14 0.11 0.00 1.08 0.00 0.00 64.86 65.66 1i6d h ILE 86 Cb 1.11 0.47 -0.09 0.00 -1.09 0.00 0.00 36.82 37.22 1i6d h ILE 86 CO 0.91 0.07 0.10 -0.08 -1.08 0.00 0.00 178.15 178.07 1i6d h GLU 87 N 0.40 0.22 -0.83 2.19 4.22 -1.97 0.14 114.58 118.96 1i6d h GLU 87 Ca 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.68 1i6d h GLU 87 Cb 0.51 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1i6d h GLU 87 CO -0.07 0.15 0.49 -0.44 -2.18 0.00 0.00 179.01 176.96 1i6d h ASP 88 N 0.23 1.01 0.52 1.04 3.32 -1.89 -0.31 116.42 120.34 1i6d h ASP 88 Ca 0.31 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1i6d h ASP 88 Cb 0.47 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1i6d h ASP 88 CO -0.42 0.79 -0.28 0.03 -1.72 0.00 0.00 179.24 177.64 1i6d h ARG 89 N 1.15 -0.72 -0.38 3.56 3.08 -1.26 -2.24 114.38 117.55 1i6d h ARG 89 Ca 0.30 0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 1i6d h ARG 89 Cb -0.03 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1i6d h ARG 89 CO -0.05 -0.48 0.03 0.00 -1.07 0.00 0.00 179.97 178.40 1i6d h ALA 90 N -0.29 1.34 -0.00 0.04 0.00 -0.78 -0.47 119.26 119.10 1i6d h ALA 90 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1i6d h ALA 90 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1i6d h ALA 90 CO 0.09 0.46 -0.13 -0.91 0.00 0.00 0.00 179.25 178.76 1i6d h ASN 91 N 0.57 -0.37 -0.62 0.00 2.35 -1.11 -0.05 115.58 116.35 1i6d h ASN 91 Ca 0.12 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1i6d h ASN 91 Cb 0.32 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1i6d h ASN 91 CO 0.01 -0.18 0.38 0.25 -1.65 0.00 0.00 177.43 176.24 1i6d h LEU 92 N -0.21 0.63 -1.02 1.61 6.46 -1.28 -1.85 115.31 119.63 1i6d h LEU 92 Ca 0.05 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1i6d h LEU 92 Cb 0.27 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1i6d h LEU 92 CO -0.13 0.44 -0.44 0.40 -0.62 0.00 0.00 178.44 178.10 1i6d h ILE 93 N 0.76 1.32 -0.58 4.05 2.04 -1.07 0.12 117.51 124.14 1i6d h ILE 93 Ca 0.25 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.58 1i6d h ILE 93 Cb 0.01 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1i6d h ILE 93 CO -0.10 0.45 0.37 0.00 0.00 0.00 0.00 178.15 178.87 1i6d h ALA 94 N 1.47 0.74 -0.42 1.87 0.00 -0.94 -1.52 119.26 120.45 1i6d h ALA 94 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i6d h ALA 94 Cb 0.81 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1i6d h ALA 94 CO 0.06 0.14 0.27 -0.92 0.00 0.00 0.00 179.25 178.80 1i6d h TYR 95 N 0.75 0.51 -0.33 0.00 3.20 -1.00 -2.10 116.97 118.01 1i6d h TYR 95 Ca 0.22 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1i6d h TYR 95 Cb -0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1i6d h TYR 95 CO -0.04 0.32 0.15 -0.07 -1.64 0.00 0.00 178.16 176.88 1i6d h LEU 96 N 0.55 0.40 -1.00 2.82 3.38 -0.80 0.44 115.31 121.10 1i6d h LEU 96 Ca 0.16 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1i6d h LEU 96 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1i6d h LEU 96 CO -0.05 0.35 0.06 -0.33 0.09 0.00 0.00 178.44 178.56 1i6d h GLU 97 N 0.46 0.78 -0.53 1.13 5.08 -1.21 -3.09 114.58 117.20 1i6d h GLU 97 Ca 0.12 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1i6d h GLU 97 Cb 0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1i6d h GLU 97 CO -0.02 0.75 0.25 0.78 -1.00 0.00 0.00 179.01 179.78 1i6d h GLY 98 N 0.96 0.81 -4.96 -3.84 0.00 -1.04 -3.31 103.07 91.69 1i6d h GLY 98 Ca 0.16 -0.40 -0.58 0.00 0.00 0.00 0.00 47.33 46.51 1i6d h GLY 98 CO 0.01 0.38 1.67 -1.06 0.00 0.00 0.00 176.54 177.54 1i6d n GLN 99 N -4.59 3.42 0.00 4.80 1.13 0.12 -5.08 117.38 117.18 1i6d n GLN 99 Ca 0.02 -2.55 0.02 0.00 -1.94 0.00 0.00 57.00 52.56 1i6d n GLN 99 Cb 0.12 -2.43 0.02 0.00 0.11 0.00 0.00 30.24 28.06 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56