#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 3.58 -0.28 3.04 0.00 -1.26 -4.07 121.76 122.78 1i6d s ALA 2 Ca 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 51.96 48.39 1i6d s ALA 2 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1i6d s ALA 2 CO 0.00 -2.07 0.10 0.34 0.00 0.00 0.00 175.76 174.13 1i6d s ASP 3 N -0.48 5.25 0.41 0.00 -1.08 -1.26 -4.81 116.67 114.69 1i6d s ASP 3 Ca 0.20 -0.40 0.21 0.00 -0.52 0.00 0.00 52.55 52.05 1i6d s ASP 3 Cb -0.17 -1.94 0.81 0.00 -1.46 0.00 0.00 42.92 40.16 1i6d s ASP 3 CO -0.06 -0.11 1.78 1.55 0.52 0.00 0.00 175.17 178.85 1i6d h PRO 4 N 8.27 0.00 -0.20 4.34 0.13 -1.85 -0.56 132.00 142.13 1i6d h PRO 4 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1i6d h PRO 4 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1i6d h PRO 4 CO 0.59 0.29 0.04 0.00 -0.23 0.00 0.00 178.00 178.69 1i6d h ALA 5 N 1.71 0.27 -0.92 -0.56 0.00 -1.96 -0.50 119.26 117.30 1i6d h ALA 5 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1i6d h ALA 5 Cb 0.81 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1i6d h ALA 5 CO 0.04 -0.06 0.60 0.00 0.00 0.00 0.00 179.25 179.83 1i6d h ALA 6 N 0.84 1.39 -1.01 0.00 0.00 -1.93 -3.17 119.26 115.39 1i6d h ALA 6 Ca 0.06 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1i6d h ALA 6 Cb 0.31 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1i6d h ALA 6 CO 0.00 0.54 0.64 0.78 0.00 0.00 0.00 179.25 181.22 1i6d h GLY 7 N 1.19 1.61 0.45 0.00 0.00 -0.96 -0.86 103.07 104.50 1i6d h GLY 7 Ca 0.35 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 47.31 1i6d h GLY 7 CO -0.09 0.22 0.10 -2.09 0.00 0.00 0.00 176.54 174.67 1i6d h GLU 8 N 1.06 0.23 -0.53 4.80 4.22 -1.08 0.11 114.58 123.38 1i6d h GLU 8 Ca 0.48 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.91 1i6d h GLU 8 Cb 0.39 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1i6d h GLU 8 CO -0.24 0.15 0.35 0.87 -2.18 0.00 0.00 179.01 177.97 1i6d h LYS 9 N 0.23 0.70 -0.79 1.92 1.57 -1.44 -2.76 116.57 116.01 1i6d h LYS 9 Ca 0.22 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1i6d h LYS 9 Cb 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1i6d h LYS 9 CO -0.28 0.47 0.51 0.28 -0.57 0.00 0.00 179.45 179.86 1i6d h VAL 10 N 0.72 1.17 0.00 0.50 2.07 -1.09 -2.56 116.25 117.07 1i6d h VAL 10 Ca 0.20 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1i6d h VAL 10 Cb -0.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1i6d h VAL 10 CO -0.04 0.19 0.10 0.33 0.02 0.00 0.00 177.57 178.16 1i6d n PHE 11 N -4.57 0.64 -0.33 1.57 -0.00 0.36 -2.17 117.46 112.97 1i6d n PHE 11 Ca 0.08 0.33 0.25 0.00 -0.00 0.00 0.00 57.45 58.12 1i6d n PHE 11 Cb 0.05 -0.97 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 1.95 2.00 7.13 0.00 -1.17 -0.23 103.07 112.75 1i6d h GLY 12 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1i6d h GLY 12 CO 0.00 -0.64 -0.33 0.50 0.00 0.00 0.00 176.54 176.07 1i6d h LYS 13 N 0.09 0.00 0.14 4.80 1.57 -1.65 -3.36 116.57 118.16 1i6d h LYS 13 Ca 0.75 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 59.26 1i6d h LYS 13 Cb 1.82 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.14 1i6d h LYS 13 CO -0.75 0.33 -1.33 0.00 -0.57 0.00 0.00 179.45 177.12 1i6d h LYS 15 N -0.24 0.00 -0.77 0.00 2.10 -1.24 -0.51 116.57 115.92 1i6d h LYS 15 Ca -0.27 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.47 1i6d h LYS 15 Cb 1.81 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.09 1i6d h LYS 15 CO 0.11 0.00 0.50 0.00 -2.00 0.00 0.00 179.45 178.06 1i6d h ALA 16 N 1.76 1.77 0.00 0.07 0.00 -1.80 -3.34 119.26 117.72 1i6d h ALA 16 Ca 0.08 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 1i6d h ALA 16 Cb 0.47 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1i6d h ALA 16 CO -0.00 0.08 -2.40 0.00 0.00 0.00 0.00 179.25 176.93 1i6d s HIS 18 N -2.49 2.86 -0.31 0.00 3.76 -0.27 -1.40 115.29 117.44 1i6d s HIS 18 Ca -0.29 -0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 54.11 1i6d s HIS 18 Cb 0.08 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.98 1i6d s HIS 18 CO 0.62 -0.11 0.02 0.15 -0.85 0.00 0.00 174.74 174.56 1i6d s LYS 19 N 0.22 2.38 0.57 1.40 1.02 -1.25 -4.13 119.74 119.94 1i6d s LYS 19 Ca -0.07 -1.33 0.26 0.00 0.02 0.00 0.00 55.97 54.86 1i6d s LYS 19 Cb -0.15 -3.23 1.63 0.00 -0.52 0.00 0.00 37.83 35.57 1i6d s LYS 19 CO 0.04 -0.67 2.17 -0.07 -0.92 0.00 0.00 175.35 175.91 1i6d h LEU 20 N 8.00 0.00 -5.13 3.17 3.38 -1.91 -3.33 115.31 119.49 1i6d h LEU 20 Ca -0.20 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.14 1i6d h LEU 20 Cb 1.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1i6d h LEU 20 CO 0.55 0.00 2.01 0.47 0.09 0.00 0.00 178.44 181.56 1i6d n ASP 21 N -4.02 7.60 -3.44 -0.43 8.00 -1.26 -4.41 116.55 118.59 1i6d n ASP 21 Ca -0.01 -2.98 -0.25 0.00 0.71 0.00 0.00 54.79 52.26 1i6d n ASP 21 Cb 0.18 -1.38 0.04 0.00 -0.02 0.00 0.00 41.12 39.94 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 1.97 -0.52 3.10 0.44 0.00 -1.25 -5.02 105.19 103.92 1i6d n GLY 22 Ca 0.61 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.56 1i6d n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6d s ASN 23 N -3.00 1.89 -0.42 1.61 0.01 -1.25 -5.02 114.94 108.77 1i6d s ASN 23 Ca 0.48 -0.30 -0.06 0.00 -0.71 0.00 0.00 52.86 52.26 1i6d s ASN 23 Cb -0.23 -0.47 0.09 0.00 0.41 0.00 0.00 41.25 41.06 1i6d s ASN 23 CO 0.59 0.14 0.24 -1.81 -1.51 0.00 0.00 177.10 174.75 1i6d s ASP 24 N 0.00 5.46 0.00 -1.22 1.01 -1.26 -3.13 116.67 117.53 1i6d s ASP 24 Ca -0.02 -1.74 0.00 0.00 0.71 0.00 0.00 52.55 51.50 1i6d s ASP 24 Cb -0.10 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.91 1i6d s ASP 24 CO 0.01 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.45 1i6d n GLY 25 N 4.79 0.81 0.11 0.21 0.00 -1.26 -4.95 105.19 104.90 1i6d n GLY 25 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.96 -1.68 1.61 2.07 -1.91 -3.46 116.25 113.84 1i6d h VAL 26 Ca 0.00 -1.27 -0.46 0.00 0.82 0.00 0.00 66.70 65.79 1i6d h VAL 26 Cb 0.00 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1i6d h VAL 26 CO 0.00 0.26 -0.36 -0.83 0.02 0.00 0.00 177.57 176.66 1i6d s GLY 27 N -3.39 1.82 1.04 2.17 0.00 -0.49 -5.02 107.32 103.45 1i6d s GLY 27 Ca -0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1i6d s GLY 27 CO 0.49 -1.51 1.08 2.56 0.00 0.00 0.00 173.10 175.72 1i6d s PRO 28 N -4.15 0.07 0.04 2.90 0.04 -1.26 -4.54 135.00 128.09 1i6d s PRO 28 Ca 0.47 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 1i6d s PRO 28 Cb -0.07 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 1i6d s PRO 28 CO 0.30 -2.98 1.72 -3.38 0.04 0.00 0.00 177.00 172.70 1i6d s HIS 29 N -2.89 2.12 -1.95 0.56 -3.43 -1.18 -3.94 115.29 104.57 1i6d s HIS 29 Ca 0.66 0.13 0.08 0.00 -0.80 0.00 0.00 55.06 55.13 1i6d s HIS 29 Cb -0.19 -4.02 0.22 0.00 -1.43 0.00 0.00 32.58 27.16 1i6d s HIS 29 CO 0.59 -4.24 1.17 1.28 -2.00 0.00 0.00 174.74 171.55 1i6d n LEU 30 N 6.23 1.39 -4.73 5.38 4.77 -1.25 -4.89 117.00 123.90 1i6d n LEU 30 Ca 0.17 -0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 1i6d n LEU 30 Cb 0.41 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1i6d n LEU 30 CO 0.64 0.34 1.04 0.54 -1.33 0.00 0.00 177.39 178.62 1i6d s ASN 31 N -0.97 6.81 0.00 -1.43 2.20 -1.26 -3.49 114.94 116.80 1i6d s ASN 31 Ca 0.17 2.45 0.00 0.00 -0.94 0.00 0.00 52.86 54.54 1i6d s ASN 31 Cb 0.09 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 1i6d s ASN 31 CO 0.11 -0.61 0.00 0.61 -2.94 0.00 0.00 177.10 174.27 1i6d n GLY 32 N 2.70 0.82 0.22 0.45 0.00 -0.87 -4.99 105.19 103.52 1i6d n GLY 32 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 1.27 -3.07 1.61 3.04 -1.79 -3.38 116.25 113.93 1i6d h VAL 33 Ca 0.00 -1.28 -0.57 0.00 -1.01 0.00 0.00 66.70 63.84 1i6d h VAL 33 Cb 0.01 1.49 -0.04 0.00 -2.01 0.00 0.00 31.29 30.74 1i6d h VAL 33 CO 0.00 0.39 1.11 -0.69 -1.01 0.00 0.00 177.57 177.37 1i6d s VAL 34 N -4.37 3.82 0.00 1.51 1.01 -1.26 -1.56 120.40 119.55 1i6d s VAL 34 Ca -0.05 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1i6d s VAL 34 Cb 0.14 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1i6d s VAL 34 CO 0.77 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1i6d n GLY 35 N 5.00 0.82 3.83 4.51 0.00 0.24 -4.99 105.19 114.61 1i6d n GLY 35 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.63 4.10 0.36 1.61 3.52 -0.60 -4.51 118.95 122.79 1i6d s ARG 36 Ca 0.00 0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 1i6d s ARG 36 Cb 0.00 -2.76 -0.11 0.00 -1.56 0.00 0.00 34.95 30.51 1i6d s ARG 36 CO 0.00 0.35 1.52 0.99 -0.81 0.00 0.00 175.30 177.35 1i6d s THR 37 N -1.64 2.04 -0.01 4.11 2.01 -1.26 -0.27 115.64 120.61 1i6d s THR 37 Ca 0.45 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1i6d s THR 37 Cb -0.14 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1i6d s THR 37 CO 0.20 0.01 1.43 -0.69 -0.69 0.00 0.00 174.62 174.88 1i6d s VAL 38 N -0.83 3.69 -1.21 3.82 1.01 -0.40 -1.27 120.40 125.21 1i6d s VAL 38 Ca 0.56 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1i6d s VAL 38 Cb -0.47 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1i6d s VAL 38 CO 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.68 1i6d n ALA 39 N 5.63 -0.17 -2.15 5.51 0.00 -1.26 -4.68 120.51 123.39 1i6d n ALA 39 Ca 0.14 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 1i6d n ALA 39 Cb 0.43 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1i6d n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6d n GLY 40 N -0.76 5.47 2.76 0.00 0.00 -0.40 -4.78 105.19 107.48 1i6d n GLY 40 Ca -0.11 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 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 -2.98 0.90 -0.49 1.61 1.01 -1.26 -4.79 120.40 114.40 1i6d s VAL 41 Ca 0.49 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 1i6d s VAL 41 Cb 0.25 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1i6d s VAL 41 CO -0.17 -0.51 1.53 -1.81 0.00 0.00 0.00 175.10 174.15 1i6d s ASP 42 N 1.63 6.04 0.00 3.32 1.01 -1.26 -2.72 116.67 124.69 1i6d s ASP 42 Ca 0.06 0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.92 1i6d s ASP 42 Cb -0.17 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1i6d s ASP 42 CO -0.19 -1.72 0.00 0.61 0.21 0.00 0.00 175.17 174.08 1i6d n GLY 43 N 5.29 3.55 3.78 0.21 0.00 -1.26 -5.14 105.19 111.62 1i6d n GLY 43 Ca 0.16 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 3.64 -0.84 1.61 5.36 -1.10 -4.99 117.98 121.65 1i6d s PHE 44 Ca 0.00 0.98 -0.25 0.00 -0.96 0.00 0.00 56.93 56.71 1i6d s PHE 44 Cb 0.00 -2.44 0.05 0.00 -0.34 0.00 0.00 43.02 40.29 1i6d s PHE 44 CO 0.00 0.41 1.30 1.21 -1.46 0.00 0.00 175.22 176.68 1i6d s ASN 45 N -0.28 6.32 0.57 6.13 2.47 -1.26 -4.92 114.94 123.96 1i6d s ASN 45 Ca 0.25 -0.98 -0.16 0.00 0.42 0.00 0.00 52.86 52.39 1i6d s ASN 45 Cb -0.16 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.05 1i6d s ASN 45 CO 0.13 -1.62 1.03 -0.31 -3.72 0.00 0.00 177.10 172.61 1i6d s TYR 46 N 5.07 3.14 0.48 0.43 2.02 -1.26 -5.06 117.35 122.17 1i6d s TYR 46 Ca 0.37 1.50 -0.23 0.00 -0.37 0.00 0.00 57.07 58.34 1i6d s TYR 46 Cb -0.06 -2.94 -0.07 0.00 -0.40 0.00 0.00 41.96 38.49 1i6d s TYR 46 CO 0.04 -0.87 1.23 -1.12 -1.57 0.00 0.00 175.55 173.26 1i6d s SER 47 N -2.86 5.95 0.18 2.29 0.01 -1.26 -4.94 113.70 113.07 1i6d s SER 47 Ca 0.62 2.46 -0.14 0.00 1.31 0.00 0.00 55.95 60.21 1i6d s SER 47 Cb -0.14 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.57 1i6d s SER 47 CO 0.35 -1.08 1.82 0.44 0.41 0.00 0.00 173.24 175.18 1i6d h ASP 48 N 1.97 0.53 0.06 2.44 3.32 -1.97 -2.70 116.42 120.07 1i6d h ASP 48 Ca -0.50 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1i6d h ASP 48 Cb 1.26 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1i6d h ASP 48 CO 0.60 0.37 -0.04 -0.65 -1.72 0.00 0.00 179.24 177.80 1i6d h PRO 49 N 0.64 0.00 -0.28 3.56 0.11 -1.86 -0.52 132.00 133.66 1i6d h PRO 49 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1i6d h PRO 49 Cb -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1i6d h PRO 49 CO -0.08 0.04 0.12 1.98 -0.21 0.00 0.00 178.00 179.85 1i6d h MET 50 N 0.00 0.41 -0.26 1.05 4.05 -1.80 -1.58 114.93 116.81 1i6d h MET 50 Ca -0.00 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1i6d h MET 50 Cb 0.09 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1i6d h MET 50 CO 0.01 0.42 0.13 0.87 0.23 0.00 0.00 176.91 178.57 1i6d h LYS 51 N 0.30 0.36 0.00 0.39 1.57 -1.20 -2.90 116.57 115.09 1i6d h LYS 51 Ca 0.09 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1i6d h LYS 51 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1i6d h LYS 51 CO -0.01 0.34 -0.22 0.00 -0.57 0.00 0.00 179.45 179.00 1i6d h ALA 52 N 1.00 1.31 0.46 3.86 0.00 -1.17 -3.25 119.26 121.46 1i6d h ALA 52 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1i6d h ALA 52 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1i6d h ALA 52 CO -0.01 0.27 -0.22 1.25 0.00 0.00 0.00 179.25 180.54 1i6d h HIS 53 N 0.00 -0.57 -0.88 0.00 -0.00 -1.31 -3.51 115.15 108.89 1i6d h HIS 53 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1i6d h HIS 53 Cb 0.50 0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.10 1i6d h HIS 53 CO 0.00 -0.35 0.00 0.41 -0.00 0.00 0.00 177.93 177.99 1i6d n GLY 54 N -0.84 -1.32 2.06 5.26 0.00 -1.10 -5.09 105.19 104.17 1i6d n GLY 54 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1i6d n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6d n GLY 55 N 0.00 -1.27 3.07 -0.02 0.00 -1.26 -4.69 105.19 101.01 1i6d n GLY 55 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 0.81 -1.30 1.61 1.01 -1.26 -1.27 116.67 112.27 1i6d s ASP 56 Ca 0.00 -0.61 -0.17 0.00 0.71 0.00 0.00 52.55 52.49 1i6d s ASP 56 Cb 0.00 0.05 0.09 0.00 1.01 0.00 0.00 42.92 44.07 1i6d s ASP 56 CO 0.00 -0.25 1.73 0.79 0.21 0.00 0.00 175.17 177.65 1i6d n TRP 57 N 1.28 4.57 -1.73 4.23 7.02 0.63 -4.88 117.44 128.55 1i6d n TRP 57 Ca -0.22 -2.95 -0.31 0.00 -1.02 0.00 0.00 57.50 53.00 1i6d n TRP 57 Cb 0.55 -2.53 0.04 0.00 -2.42 0.00 0.00 31.31 26.95 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 3.51 3.99 0.23 -0.99 -4.23 -1.26 -0.59 115.64 116.31 1i6d s THR 58 Ca 0.51 0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 61.70 1i6d s THR 58 Cb 0.04 -3.41 0.20 0.00 1.34 0.00 0.00 72.50 70.66 1i6d s THR 58 CO 0.05 -0.76 1.74 1.55 -0.54 0.00 0.00 174.62 176.66 1i6d h PRO 59 N -0.34 0.45 -0.67 3.99 0.13 -1.97 0.13 132.00 133.72 1i6d h PRO 59 Ca -0.45 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1i6d h PRO 59 Cb 1.21 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1i6d h PRO 59 CO 0.57 0.30 0.25 1.05 -0.23 0.00 0.00 178.00 179.94 1i6d h GLU 60 N 0.47 0.41 -0.18 0.86 4.11 -2.00 -1.32 114.58 116.93 1i6d h GLU 60 Ca 0.38 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.73 1i6d h GLU 60 Cb 0.53 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1i6d h GLU 60 CO -0.36 0.27 -0.12 0.00 0.07 0.00 0.00 179.01 178.87 1i6d h ALA 61 N 1.47 0.26 -0.30 1.06 0.00 -1.77 -3.13 119.26 116.85 1i6d h ALA 61 Ca 0.35 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1i6d h ALA 61 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1i6d h ALA 61 CO -0.35 0.11 0.12 -0.07 0.00 0.00 0.00 179.25 179.07 1i6d h LEU 62 N 0.07 0.15 -1.08 0.00 3.38 -1.00 -1.29 115.31 115.56 1i6d h LEU 62 Ca 0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1i6d h LEU 62 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1i6d h LEU 62 CO 0.03 0.12 0.32 0.06 0.09 0.00 0.00 178.44 179.07 1i6d h GLN 63 N 0.26 0.98 0.48 1.13 3.07 -1.37 0.72 115.11 120.38 1i6d h GLN 63 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1i6d h GLN 63 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.46 1i6d h GLN 63 CO -0.12 0.76 -0.23 0.93 0.09 0.00 0.00 178.83 180.26 1i6d h GLU 64 N 0.97 -0.63 -0.80 0.06 5.08 -1.52 -2.13 114.58 115.61 1i6d h GLU 64 Ca 0.24 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1i6d h GLU 64 Cb 0.11 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1i6d h GLU 64 CO -0.03 -0.37 0.49 0.35 -1.00 0.00 0.00 179.01 178.45 1i6d h PHE 65 N -0.76 0.90 0.00 4.33 3.57 -1.17 -2.48 116.94 121.33 1i6d h PHE 65 Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1i6d h PHE 65 Cb 0.55 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1i6d h PHE 65 CO -0.02 0.45 0.00 1.28 -2.23 0.00 0.00 178.31 177.79 1i6d n LEU 66 N -4.67 0.53 0.14 0.59 4.77 0.24 -1.37 117.00 117.23 1i6d n LEU 66 Ca 0.11 0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1i6d n LEU 66 Cb 0.17 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 1i6d n LEU 66 CO 0.31 -0.33 0.49 0.74 -1.33 0.00 0.00 177.39 177.26 1i6d h THR 67 N 0.00 0.67 -2.28 -5.08 2.02 -0.92 0.16 112.91 107.49 1i6d h THR 67 Ca 0.00 -0.70 -0.30 0.00 0.77 0.00 0.00 66.41 66.18 1i6d h THR 67 Cb 0.47 1.01 -0.34 0.00 -1.74 0.00 0.00 68.15 67.56 1i6d h THR 67 CO 0.00 0.13 -0.61 0.21 0.37 0.00 0.00 175.52 175.62 1i6d s ASN 68 N -5.14 1.35 0.22 4.18 3.84 -1.11 -4.16 114.94 114.12 1i6d s ASN 68 Ca -0.14 -0.38 0.01 0.00 0.21 0.00 0.00 52.86 52.56 1i6d s ASN 68 Cb 0.02 0.54 0.19 0.00 -0.55 0.00 0.00 41.25 41.45 1i6d s ASN 68 CO 0.51 -0.35 1.54 1.55 -2.79 0.00 0.00 177.10 177.56 1i6d h PRO 69 N 8.27 0.39 -0.62 0.43 0.13 -1.43 -2.78 132.00 136.39 1i6d h PRO 69 Ca -0.16 -0.25 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1i6d h PRO 69 Cb 1.12 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1i6d h PRO 69 CO 0.30 0.85 0.11 0.87 -0.23 0.00 0.00 178.00 179.91 1i6d h LYS 70 N 0.30 1.01 -0.46 0.86 6.56 -1.85 -1.21 116.57 121.79 1i6d h LYS 70 Ca 0.00 -0.25 -0.09 0.00 -1.06 0.00 0.00 60.65 59.25 1i6d h LYS 70 Cb 1.08 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.60 1i6d h LYS 70 CO 0.10 0.92 -0.06 0.00 -2.06 0.00 0.00 179.45 178.35 1i6d h ALA 71 N 1.16 0.62 0.36 3.86 0.00 -1.97 -3.26 119.26 120.04 1i6d h ALA 71 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1i6d h ALA 71 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1i6d h ALA 71 CO 0.01 0.48 -0.17 0.28 0.00 0.00 0.00 179.25 179.84 1i6d h VAL 72 N 0.69 0.42 -3.29 0.00 2.07 -1.52 -3.40 116.25 111.22 1i6d h VAL 72 Ca 0.12 -0.70 -0.74 0.00 0.82 0.00 0.00 66.70 66.20 1i6d h VAL 72 Cb 0.59 0.66 -0.28 0.00 -1.52 0.00 0.00 31.29 30.73 1i6d h VAL 72 CO 0.04 0.09 -0.31 -0.69 0.02 0.00 0.00 177.57 176.72 1i6d s VAL 73 N -3.90 4.55 -0.60 2.57 1.01 -0.46 -5.05 120.40 118.53 1i6d s VAL 73 Ca -0.12 -1.81 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 1i6d s VAL 73 Cb 0.01 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1i6d s VAL 73 CO 0.41 -0.82 1.60 -0.75 0.00 0.00 0.00 175.10 175.54 1i6d s LYS 74 N 1.28 3.01 0.00 2.72 2.20 -1.23 -2.34 119.74 125.38 1i6d s LYS 74 Ca 0.06 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1i6d s LYS 74 Cb -0.26 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.81 1i6d s LYS 74 CO -0.00 -2.30 0.00 0.41 -0.36 0.00 0.00 175.35 173.10 1i6d n GLY 75 N 5.47 1.36 3.73 5.54 0.00 -1.26 -4.75 105.19 115.28 1i6d n GLY 75 Ca 0.15 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.08 4.37 -1.66 2.61 -1.32 -0.99 -4.49 115.64 112.09 1i6d s THR 76 Ca 0.00 2.02 0.00 0.00 -1.21 0.00 0.00 61.69 62.50 1i6d s THR 76 Cb 0.00 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.70 1i6d s THR 76 CO 0.00 0.33 0.61 2.29 -2.21 0.00 0.00 174.62 175.64 1i6d n LYS 77 N 2.59 0.73 -2.34 7.08 2.85 -1.26 -4.79 118.16 123.02 1i6d n LYS 77 Ca 0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.86 1i6d n LYS 77 Cb 0.49 -1.13 -0.03 0.00 -0.65 0.00 0.00 35.03 33.71 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 -1.66 3.34 -1.37 -1.58 1.75 -1.26 -4.96 119.30 113.56 1i6d s MET 78 Ca 0.00 0.65 -0.15 0.00 -1.25 0.00 0.00 55.69 54.94 1i6d s MET 78 Cb 0.00 -4.11 0.08 0.00 2.84 0.00 0.00 34.83 33.63 1i6d s MET 78 CO 0.00 -1.87 1.98 0.00 -0.65 0.00 0.00 175.02 174.47 1i6d n ALA 79 N 9.59 4.79 -3.72 4.11 0.00 -1.26 -4.81 120.51 129.20 1i6d n ALA 79 Ca 0.15 -3.95 -0.17 0.00 0.00 0.00 0.00 53.44 49.46 1i6d n ALA 79 Cb 0.49 -3.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.32 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 3.03 0.22 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.18 1i6d s PHE 80 Ca 0.48 0.07 -0.15 0.00 -0.96 0.00 0.00 56.93 56.36 1i6d s PHE 80 Cb 0.09 -0.40 -0.10 0.00 -0.34 0.00 0.00 43.02 42.27 1i6d s PHE 80 CO -0.02 -0.14 0.61 0.00 -1.46 0.00 0.00 175.22 174.22 1i6d h ALA 81 N 7.52 -0.31 0.00 11.12 0.00 -1.95 -3.40 119.26 132.24 1i6d h ALA 81 Ca -0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1i6d h ALA 81 Cb 1.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6d h ALA 81 CO 0.41 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1i6d n GLY 82 N 0.75 2.59 3.35 0.00 0.00 -1.26 -4.38 105.19 106.24 1i6d n GLY 82 Ca -0.06 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 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 5.73 0.21 0.99 1.43 0.56 -5.00 118.68 122.60 1i6d s LEU 83 Ca 0.00 -1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 51.56 1i6d s LEU 83 Cb 0.00 -2.26 0.16 0.00 0.03 0.00 0.00 46.19 44.12 1i6d s LEU 83 CO 0.00 -0.92 1.53 1.55 0.23 0.00 0.00 176.35 178.73 1i6d h PRO 84 N 8.99 0.48 -6.33 1.29 0.13 -1.88 -3.40 132.00 131.28 1i6d h PRO 84 Ca -0.29 -0.30 -0.55 0.00 -0.87 0.00 0.00 66.00 63.99 1i6d h PRO 84 Cb 1.10 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 84 CO 1.03 0.90 0.48 0.15 -0.23 0.00 0.00 178.00 180.33 1i6d s LYS 85 N -3.97 4.48 0.23 0.86 1.02 -1.26 -4.99 119.74 116.12 1i6d s LYS 85 Ca -0.07 1.40 -0.06 0.00 0.02 0.00 0.00 55.97 57.27 1i6d s LYS 85 Cb 0.12 -3.51 0.41 0.00 -0.52 0.00 0.00 37.83 34.33 1i6d s LYS 85 CO 0.83 -0.20 1.71 0.97 -0.92 0.00 0.00 175.35 177.74 1i6d h ILE 86 N 4.97 0.62 -0.58 2.17 6.09 -2.00 -2.63 117.51 126.15 1i6d h ILE 86 Ca -0.35 -0.12 0.10 0.00 -1.37 0.00 0.00 64.86 63.11 1i6d h ILE 86 Cb 1.18 0.24 -0.08 0.00 0.47 0.00 0.00 36.82 38.63 1i6d h ILE 86 CO 0.81 0.06 0.17 -0.08 -3.07 0.00 0.00 178.15 176.04 1i6d h GLU 87 N 0.35 0.31 -0.65 2.19 4.22 -1.94 0.13 114.58 119.19 1i6d h GLU 87 Ca 0.38 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.76 1i6d h GLU 87 Cb 0.59 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1i6d h GLU 87 CO -0.42 0.21 0.25 -0.44 -2.18 0.00 0.00 179.01 176.43 1i6d h ASP 88 N 0.32 0.91 0.11 1.04 3.32 -1.83 -0.36 116.42 119.92 1i6d h ASP 88 Ca 0.30 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1i6d h ASP 88 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1i6d h ASP 88 CO -0.34 0.84 -0.08 0.03 -1.72 0.00 0.00 179.24 177.97 1i6d h ARG 89 N 0.92 -0.19 -0.84 3.56 3.08 -1.22 -2.05 114.38 117.65 1i6d h ARG 89 Ca 0.22 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.36 1i6d h ARG 89 Cb 0.22 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 1i6d h ARG 89 CO -0.02 -0.13 0.50 0.00 -1.07 0.00 0.00 179.97 179.26 1i6d h ALA 90 N 0.69 1.18 0.11 0.04 0.00 -0.75 -0.11 119.26 120.42 1i6d h ALA 90 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1i6d h ALA 90 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1i6d h ALA 90 CO -0.01 0.17 -0.27 -0.91 0.00 0.00 0.00 179.25 178.23 1i6d h ASN 91 N 0.87 -0.77 -0.62 0.00 2.35 -1.06 -0.76 115.58 115.59 1i6d h ASN 91 Ca 0.39 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 1i6d h ASN 91 Cb 0.28 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1i6d h ASN 91 CO -0.21 -0.36 0.41 0.25 -1.65 0.00 0.00 177.43 175.86 1i6d h LEU 92 N -0.48 0.70 -0.66 1.61 6.46 -1.25 -1.95 115.31 119.74 1i6d h LEU 92 Ca 0.03 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 1i6d h LEU 92 Cb 0.51 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1i6d h LEU 92 CO -0.16 0.51 0.14 0.40 -0.62 0.00 0.00 178.44 178.70 1i6d h ILE 93 N 0.83 1.26 -0.73 4.05 2.04 -1.02 0.66 117.51 124.59 1i6d h ILE 93 Ca 0.23 -0.98 0.13 0.00 1.00 0.00 0.00 64.86 65.24 1i6d h ILE 93 Cb -0.09 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1i6d h ILE 93 CO -0.05 0.37 0.28 0.00 0.00 0.00 0.00 178.15 178.75 1i6d h ALA 94 N 1.06 1.01 -0.19 1.87 0.00 -1.11 0.17 119.26 122.07 1i6d h ALA 94 Ca 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1i6d h ALA 94 Cb 0.40 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1i6d h ALA 94 CO 0.01 -0.21 0.10 -0.92 0.00 0.00 0.00 179.25 178.23 1i6d h TYR 95 N 0.44 0.27 -0.45 0.00 3.20 -0.93 -2.03 116.97 117.47 1i6d h TYR 95 Ca 0.39 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.28 1i6d h TYR 95 Cb 0.58 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1i6d h TYR 95 CO -0.17 0.28 0.30 -0.07 -1.64 0.00 0.00 178.16 176.86 1i6d h LEU 96 N 0.19 0.45 -0.65 2.82 3.38 -0.75 0.10 115.31 120.85 1i6d h LEU 96 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i6d h LEU 96 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1i6d h LEU 96 CO -0.01 0.31 0.35 -0.33 0.09 0.00 0.00 178.44 178.86 1i6d h GLU 97 N 0.52 0.91 -0.82 1.13 5.08 -0.92 -3.03 114.58 117.44 1i6d h GLU 97 Ca 0.18 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1i6d h GLU 97 Cb 0.06 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1i6d h GLU 97 CO -0.04 0.69 0.41 0.78 -1.00 0.00 0.00 179.01 179.85 1i6d h GLY 98 N 0.89 1.26 -4.16 -3.84 0.00 -0.94 -3.26 103.07 93.02 1i6d h GLY 98 Ca 0.23 -0.61 -0.42 0.00 0.00 0.00 0.00 47.33 46.52 1i6d h GLY 98 CO -0.04 0.59 0.34 -1.06 0.00 0.00 0.00 176.54 176.37 1i6d n GLN 99 N -4.35 2.18 0.00 4.80 1.13 0.32 -5.10 117.38 116.37 1i6d n GLN 99 Ca 0.08 -1.99 0.08 0.00 -1.94 0.00 0.00 57.00 53.23 1i6d n GLN 99 Cb 0.13 -1.96 0.07 0.00 0.11 0.00 0.00 30.24 28.58 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56