#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 4.12 -0.33 3.04 0.00 -1.26 -2.11 121.76 125.23 1i6d s ALA 2 Ca 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 51.96 48.11 1i6d s ALA 2 Cb 0.00 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.47 1i6d s ALA 2 CO 0.00 -2.14 0.07 0.34 0.00 0.00 0.00 175.76 174.04 1i6d s ASP 3 N -0.34 5.20 0.40 0.00 -1.08 -1.26 -4.93 116.67 114.65 1i6d s ASP 3 Ca 0.26 -1.18 0.08 0.00 -0.52 0.00 0.00 52.55 51.19 1i6d s ASP 3 Cb -0.08 -1.82 0.84 0.00 -1.46 0.00 0.00 42.92 40.40 1i6d s ASP 3 CO -0.13 -0.31 2.02 -0.65 0.52 0.00 0.00 175.17 176.63 1i6d h PRO 4 N 8.16 0.58 -0.22 4.34 0.11 -1.85 -1.43 132.00 141.69 1i6d h PRO 4 Ca -0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1i6d h PRO 4 Cb 1.08 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1i6d h PRO 4 CO 0.58 0.39 0.05 0.00 -0.21 0.00 0.00 178.00 178.81 1i6d h ALA 5 N 1.69 0.29 -0.99 -0.75 0.00 -1.96 -0.44 119.26 117.10 1i6d h ALA 5 Ca 0.21 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1i6d h ALA 5 Cb 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1i6d h ALA 5 CO -0.06 -0.06 0.65 0.00 0.00 0.00 0.00 179.25 179.78 1i6d h ALA 6 N 0.87 1.33 -0.93 0.00 0.00 -1.92 -3.07 119.26 115.54 1i6d h ALA 6 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1i6d h ALA 6 Cb 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1i6d h ALA 6 CO 0.00 0.52 0.60 0.78 0.00 0.00 0.00 179.25 181.15 1i6d h GLY 7 N 1.23 1.38 0.58 0.00 0.00 -1.09 -1.40 103.07 103.77 1i6d h GLY 7 Ca 0.40 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1i6d h GLY 7 CO -0.14 0.25 0.07 -2.09 0.00 0.00 0.00 176.54 174.63 1i6d h GLU 8 N 0.99 0.19 -0.46 4.80 4.22 -1.02 0.77 114.58 124.07 1i6d h GLU 8 Ca 0.42 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.89 1i6d h GLU 8 Cb 0.32 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1i6d h GLU 8 CO -0.18 0.13 0.23 0.87 -2.18 0.00 0.00 179.01 177.88 1i6d h LYS 9 N 0.20 0.45 -0.95 1.92 1.57 -1.41 -2.84 116.57 115.50 1i6d h LYS 9 Ca 0.17 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1i6d h LYS 9 Cb 0.19 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1i6d h LYS 9 CO -0.22 0.30 0.63 0.28 -0.57 0.00 0.00 179.45 179.87 1i6d h VAL 10 N 0.46 1.22 0.00 0.50 2.07 -1.18 -2.68 116.25 116.65 1i6d h VAL 10 Ca 0.20 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1i6d h VAL 10 Cb 0.10 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1i6d h VAL 10 CO -0.14 0.23 0.05 0.15 0.02 0.00 0.00 177.57 177.89 1i6d h PHE 11 N 1.26 0.00 -0.98 1.57 3.04 -0.61 -2.36 116.94 118.87 1i6d h PHE 11 Ca 0.36 0.00 0.33 0.00 3.98 0.00 0.00 57.97 62.64 1i6d h PHE 11 Cb -0.10 0.00 -0.16 0.00 2.56 0.00 0.00 35.95 38.25 1i6d h PHE 11 CO -0.00 0.00 0.48 0.78 -2.02 0.00 0.00 178.31 177.55 1i6d h GLY 12 N 0.00 1.96 2.00 2.40 0.00 -1.33 0.03 103.07 108.13 1i6d h GLY 12 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1i6d h GLY 12 CO 0.00 -0.55 0.00 0.50 0.00 0.00 0.00 176.54 176.49 1i6d h LYS 13 N 0.21 0.00 0.02 4.80 1.57 -1.64 -3.37 116.57 118.16 1i6d h LYS 13 Ca 0.73 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 59.12 1i6d h LYS 13 Cb 1.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.95 1i6d h LYS 13 CO -0.67 0.00 -2.39 0.00 -0.57 0.00 0.00 179.45 175.81 1i6d h LYS 15 N -0.00 0.00 -0.70 0.00 2.10 -1.21 -1.24 116.57 115.51 1i6d h LYS 15 Ca -0.55 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.22 1i6d h LYS 15 Cb 1.92 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.20 1i6d h LYS 15 CO -0.06 0.00 0.47 0.00 -2.00 0.00 0.00 179.45 177.86 1i6d h ALA 16 N 1.77 2.01 0.00 0.07 0.00 -1.84 -3.35 119.26 117.92 1i6d h ALA 16 Ca 0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1i6d h ALA 16 Cb 0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1i6d h ALA 16 CO -0.00 -0.18 -1.98 0.00 0.00 0.00 0.00 179.25 177.09 1i6d s HIS 18 N -2.34 3.03 -0.24 0.00 3.76 -0.52 -1.45 115.29 117.53 1i6d s HIS 18 Ca -0.22 -0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 54.27 1i6d s HIS 18 Cb 0.06 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1i6d s HIS 18 CO 0.41 -0.11 0.06 0.15 -0.85 0.00 0.00 174.74 174.41 1i6d s LYS 19 N 0.58 3.65 0.36 1.40 1.02 -1.25 -4.12 119.74 121.39 1i6d s LYS 19 Ca -0.02 -0.48 0.27 0.00 0.02 0.00 0.00 55.97 55.76 1i6d s LYS 19 Cb -0.14 -3.29 1.04 0.00 -0.52 0.00 0.00 37.83 34.91 1i6d s LYS 19 CO 0.02 -0.16 1.80 -0.07 -0.92 0.00 0.00 175.35 176.03 1i6d h LEU 20 N 8.14 0.00 -4.16 3.17 3.38 -1.93 -3.24 115.31 120.67 1i6d h LEU 20 Ca -0.38 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.36 1i6d h LEU 20 Cb 1.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1i6d h LEU 20 CO 0.58 0.00 0.09 0.47 0.09 0.00 0.00 178.44 179.68 1i6d n ASP 21 N -2.59 5.35 -3.34 -0.43 8.00 -1.26 -4.52 116.55 117.75 1i6d n ASP 21 Ca 0.02 -2.44 -0.21 0.00 0.71 0.00 0.00 54.79 52.86 1i6d n ASP 21 Cb 0.30 -1.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.02 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 2.64 -0.47 3.38 0.44 0.00 -1.26 -5.00 105.19 104.92 1i6d n GLY 22 Ca 0.45 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.63 3.53 -0.29 1.61 0.01 -1.22 -4.95 114.94 111.01 1i6d s ASN 23 Ca 0.37 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 52.15 1i6d s ASN 23 Cb -0.20 -0.70 0.04 0.00 0.41 0.00 0.00 41.25 40.80 1i6d s ASN 23 CO 0.46 0.31 -0.01 -1.81 -1.51 0.00 0.00 177.10 174.54 1i6d s ASP 24 N -0.55 4.78 0.00 -1.22 1.11 -1.26 -3.25 116.67 116.27 1i6d s ASP 24 Ca 0.08 -1.14 0.00 0.00 0.18 0.00 0.00 52.55 51.66 1i6d s ASP 24 Cb -0.11 -1.71 0.00 0.00 1.07 0.00 0.00 42.92 42.17 1i6d s ASP 24 CO 0.01 -0.23 0.00 0.61 1.18 0.00 0.00 175.17 176.74 1i6d n GLY 25 N 4.65 1.18 0.11 0.21 0.00 -1.26 -4.98 105.19 105.10 1i6d n GLY 25 Ca -0.14 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.98 -1.66 1.61 2.07 -1.90 -3.46 116.25 113.89 1i6d h VAL 26 Ca 0.00 -1.29 -0.43 0.00 0.82 0.00 0.00 66.70 65.80 1i6d h VAL 26 Cb 0.00 1.68 0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1i6d h VAL 26 CO 0.00 0.27 -0.28 -0.83 0.02 0.00 0.00 177.57 176.75 1i6d s GLY 27 N -3.42 1.80 1.20 2.17 0.00 -0.53 -5.01 107.32 103.53 1i6d s GLY 27 Ca -0.13 -1.56 -0.19 0.00 0.00 0.00 0.00 44.72 42.85 1i6d s GLY 27 CO 0.49 -1.41 1.10 2.56 0.00 0.00 0.00 173.10 175.84 1i6d s PRO 28 N -4.31 -1.17 -0.42 2.90 0.04 -1.26 -4.55 135.00 126.23 1i6d s PRO 28 Ca 0.51 -0.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.26 1i6d s PRO 28 Cb -0.10 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1i6d s PRO 28 CO 0.33 -3.69 1.51 -3.38 0.04 0.00 0.00 177.00 171.81 1i6d s HIS 29 N -2.97 2.22 -1.61 0.56 -3.43 -1.20 -4.07 115.29 104.80 1i6d s HIS 29 Ca 0.70 0.64 0.18 0.00 -0.80 0.00 0.00 55.06 55.78 1i6d s HIS 29 Cb -0.11 -4.28 0.97 0.00 -1.43 0.00 0.00 32.58 27.74 1i6d s HIS 29 CO 0.56 -2.20 1.53 1.28 -2.00 0.00 0.00 174.74 173.91 1i6d n LEU 30 N 9.41 0.00 -4.63 5.38 4.77 -1.26 -4.71 117.00 125.96 1i6d n LEU 30 Ca 0.17 0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 1i6d n LEU 30 Cb 0.48 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1i6d n LEU 30 CO 0.70 -0.08 1.36 0.21 -1.33 0.00 0.00 177.39 178.25 1i6d s ASN 31 N -2.39 6.41 -0.08 -1.43 2.47 -1.26 -2.99 114.94 115.67 1i6d s ASN 31 Ca 0.20 1.66 -0.00 0.00 0.42 0.00 0.00 52.86 55.14 1i6d s ASN 31 Cb 0.12 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1i6d s ASN 31 CO 0.26 -1.23 0.02 0.61 -3.72 0.00 0.00 177.10 173.04 1i6d n GLY 32 N 4.60 0.51 0.09 1.21 0.00 -1.05 -4.92 105.19 105.64 1i6d n GLY 32 Ca 0.19 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.05 1.22 -3.62 1.61 3.04 -1.82 -3.41 116.25 113.22 1i6d h VAL 33 Ca -0.03 -2.82 -0.56 0.00 -1.01 0.00 0.00 66.70 62.28 1i6d h VAL 33 Cb 1.02 2.58 -0.07 0.00 -2.01 0.00 0.00 31.29 32.81 1i6d h VAL 33 CO 0.03 0.69 0.91 -0.69 -1.01 0.00 0.00 177.57 177.51 1i6d s VAL 34 N -2.79 4.26 0.00 1.51 1.01 -1.26 -1.63 120.40 121.50 1i6d s VAL 34 Ca 0.01 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1i6d s VAL 34 Cb 0.09 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1i6d s VAL 34 CO 0.80 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1i6d n GLY 35 N 4.64 1.06 3.82 4.51 0.00 0.17 -4.98 105.19 114.41 1i6d n GLY 35 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.57 4.26 0.57 1.61 3.52 -0.65 -4.48 118.95 123.21 1i6d s ARG 36 Ca 0.00 0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 56.33 1i6d s ARG 36 Cb 0.00 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 1i6d s ARG 36 CO 0.00 0.28 1.28 2.41 -0.81 0.00 0.00 175.30 178.46 1i6d n THR 37 N 0.32 3.98 -2.15 4.11 -1.04 -1.26 -0.38 114.28 117.86 1i6d n THR 37 Ca 0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.09 1i6d n THR 37 Cb 0.52 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 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 -1.33 3.72 -1.41 12.58 1.01 -0.53 -0.98 120.40 133.45 1i6d s VAL 38 Ca 0.74 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1i6d s VAL 38 Cb -0.42 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1i6d s VAL 38 CO 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1i6d n ALA 39 N 6.38 -0.27 -1.59 5.51 0.00 -1.26 -4.72 120.51 124.54 1i6d n ALA 39 Ca 0.15 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1i6d n ALA 39 Cb 0.43 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.18 4.50 2.72 0.00 0.00 -0.16 -4.70 105.19 106.37 1i6d n GLY 40 Ca -0.15 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.74 0.47 -0.58 1.61 1.01 -1.26 -4.78 120.40 115.13 1i6d s VAL 41 Ca 0.58 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1i6d s VAL 41 Cb 0.33 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1i6d s VAL 41 CO -0.18 -0.26 1.36 -1.81 0.00 0.00 0.00 175.10 174.21 1i6d s ASP 42 N 1.88 6.20 0.00 3.32 1.01 -1.26 -3.18 116.67 124.64 1i6d s ASP 42 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.47 1i6d s ASP 42 Cb -0.17 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1i6d s ASP 42 CO -0.10 -1.66 0.00 0.61 0.21 0.00 0.00 175.17 174.23 1i6d n GLY 43 N 5.22 2.99 3.77 0.21 0.00 -1.26 -5.13 105.19 110.98 1i6d n GLY 43 Ca 0.11 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1i6d n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6d s PHE 44 N 0.00 3.76 -0.86 1.61 5.36 -1.19 -5.04 117.98 121.62 1i6d s PHE 44 Ca 0.00 1.38 -0.25 0.00 -0.96 0.00 0.00 56.93 57.10 1i6d s PHE 44 Cb 0.00 -2.69 0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1i6d s PHE 44 CO 0.00 0.40 1.37 1.21 -1.46 0.00 0.00 175.22 176.74 1i6d s ASN 45 N -0.48 6.29 0.58 6.13 2.47 -1.26 -4.94 114.94 123.72 1i6d s ASN 45 Ca 0.34 -0.88 -0.14 0.00 0.42 0.00 0.00 52.86 52.60 1i6d s ASN 45 Cb -0.20 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 36.98 1i6d s ASN 45 CO 0.21 -1.71 1.01 -0.31 -3.72 0.00 0.00 177.10 172.58 1i6d s TYR 46 N 5.49 3.52 0.49 0.43 2.02 -1.26 -5.08 117.35 122.96 1i6d s TYR 46 Ca 0.41 1.38 -0.21 0.00 -0.37 0.00 0.00 57.07 58.28 1i6d s TYR 46 Cb -0.05 -2.77 -0.08 0.00 -0.40 0.00 0.00 41.96 38.67 1i6d s TYR 46 CO 0.04 -0.58 1.07 0.45 -1.57 0.00 0.00 175.55 174.96 1i6d s SER 47 N -3.65 6.20 0.20 2.29 0.15 -1.26 -4.89 113.70 112.74 1i6d s SER 47 Ca 0.57 2.03 -0.11 0.00 0.70 0.00 0.00 55.95 59.14 1i6d s SER 47 Cb -0.11 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 61.85 1i6d s SER 47 CO 0.44 -0.88 1.76 0.44 1.20 0.00 0.00 173.24 176.19 1i6d h ASP 48 N 1.58 0.26 0.09 5.45 3.32 -1.98 -1.32 116.42 123.82 1i6d h ASP 48 Ca -0.50 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1i6d h ASP 48 Cb 1.23 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1i6d h ASP 48 CO 0.59 0.17 -0.08 -0.65 -1.72 0.00 0.00 179.24 177.55 1i6d h PRO 49 N 0.43 0.00 -0.33 3.56 0.11 -1.84 0.11 132.00 134.04 1i6d h PRO 49 Ca 0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 1i6d h PRO 49 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1i6d h PRO 49 CO -0.25 0.08 -0.06 1.98 -0.21 0.00 0.00 178.00 179.54 1i6d h MET 50 N 0.00 0.62 -0.27 1.05 4.05 -1.73 -2.83 114.93 115.82 1i6d h MET 50 Ca -0.00 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.17 1i6d h MET 50 Cb 0.14 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1i6d h MET 50 CO 0.01 0.78 0.10 0.87 0.23 0.00 0.00 176.91 178.90 1i6d h LYS 51 N 0.40 0.41 -0.98 0.39 1.57 -1.01 -3.15 116.57 114.20 1i6d h LYS 51 Ca 0.09 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1i6d h LYS 51 Cb 0.54 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 1i6d h LYS 51 CO 0.03 0.46 0.15 0.00 -0.57 0.00 0.00 179.45 179.52 1i6d n ALA 52 N -2.27 3.30 -0.01 3.86 0.00 0.01 -4.58 120.51 120.82 1i6d n ALA 52 Ca -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 53.44 52.61 1i6d n ALA 52 Cb 0.14 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 0.46 -0.08 -1.74 0.00 6.17 -1.45 -3.48 115.15 115.02 1i6d h HIS 53 Ca 0.15 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.23 1i6d h HIS 53 Cb 1.42 0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.38 1i6d h HIS 53 CO 0.43 0.02 0.00 0.41 0.71 0.00 0.00 177.93 179.50 1i6d n GLY 54 N 1.52 -1.38 0.00 5.26 0.00 -1.26 -5.13 105.19 104.20 1i6d n GLY 54 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.06 -1.84 3.16 -0.02 0.00 -1.26 -5.05 105.19 100.11 1i6d n GLY 55 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.19 1.54 -1.35 1.61 1.01 -1.26 -1.45 116.67 116.58 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 -0.03 0.08 0.00 1.01 0.00 0.00 42.92 43.98 1i6d s ASP 56 CO 0.00 -0.11 1.89 0.79 0.21 0.00 0.00 175.17 177.96 1i6d n TRP 57 N 1.25 4.13 -1.49 4.23 7.02 0.49 -4.87 117.44 128.20 1i6d n TRP 57 Ca -0.21 -2.94 -0.31 0.00 -1.02 0.00 0.00 57.50 53.02 1i6d n TRP 57 Cb 0.54 -2.49 0.06 0.00 -2.42 0.00 0.00 31.31 27.01 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 3.19 3.76 0.25 -0.99 -4.23 -1.26 -0.65 115.64 115.71 1i6d s THR 58 Ca 0.49 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.54 1i6d s THR 58 Cb 0.07 -3.25 0.24 0.00 1.34 0.00 0.00 72.50 70.90 1i6d s THR 58 CO 0.00 -0.75 1.71 1.55 -0.54 0.00 0.00 174.62 176.60 1i6d h PRO 59 N -0.86 0.37 0.06 3.99 0.13 -1.98 0.27 132.00 133.98 1i6d h PRO 59 Ca -0.44 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1i6d h PRO 59 Cb 1.22 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 59 CO 0.56 0.24 -0.28 1.05 -0.23 0.00 0.00 178.00 179.34 1i6d h GLU 60 N 0.38 -0.44 -0.56 0.86 4.11 -1.99 -1.86 114.58 115.08 1i6d h GLU 60 Ca 0.44 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.88 1i6d h GLU 60 Cb 0.74 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1i6d h GLU 60 CO -0.46 -0.29 0.26 0.00 0.07 0.00 0.00 179.01 178.58 1i6d h ALA 61 N 0.29 0.72 -0.19 1.06 0.00 -1.80 -2.43 119.26 116.92 1i6d h ALA 61 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1i6d h ALA 61 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1i6d h ALA 61 CO -0.20 0.30 0.04 -0.07 0.00 0.00 0.00 179.25 179.31 1i6d h LEU 62 N 0.76 0.01 -1.28 0.00 3.38 -1.02 -1.45 115.31 115.70 1i6d h LEU 62 Ca 0.19 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1i6d h LEU 62 Cb 0.14 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1i6d h LEU 62 CO -0.02 0.03 -0.07 0.06 0.09 0.00 0.00 178.44 178.53 1i6d h GLN 63 N 0.11 0.41 0.58 1.13 3.07 -1.33 0.14 115.11 119.22 1i6d h GLN 63 Ca 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1i6d h GLN 63 Cb 0.08 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 27.59 1i6d h GLN 63 CO -0.11 0.49 -0.28 0.93 0.09 0.00 0.00 178.83 179.95 1i6d h GLU 64 N 0.39 -0.75 -0.90 0.06 5.08 -1.42 -1.90 114.58 115.14 1i6d h GLU 64 Ca 0.08 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1i6d h GLU 64 Cb 0.36 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1i6d h GLU 64 CO 0.02 -0.50 0.60 0.35 -1.00 0.00 0.00 179.01 178.47 1i6d h PHE 65 N -0.78 1.13 0.00 4.33 3.57 -1.15 -2.77 116.94 121.26 1i6d h PHE 65 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6d h PHE 65 Cb 0.60 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1i6d h PHE 65 CO -0.04 0.70 0.00 -0.07 -2.23 0.00 0.00 178.31 176.67 1i6d h LEU 66 N 1.21 0.00 0.33 0.59 3.38 -0.81 -0.98 115.31 119.02 1i6d h LEU 66 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1i6d h LEU 66 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1i6d h LEU 66 CO -0.08 0.00 -0.16 0.74 0.09 0.00 0.00 178.44 179.03 1i6d h THR 67 N 0.00 0.61 -2.46 0.22 2.02 -1.07 0.17 112.91 112.40 1i6d h THR 67 Ca 0.00 -0.65 -0.34 0.00 0.77 0.00 0.00 66.41 66.18 1i6d h THR 67 Cb 0.56 0.91 -0.36 0.00 -1.74 0.00 0.00 68.15 67.53 1i6d h THR 67 CO 0.00 0.11 -0.65 0.21 0.37 0.00 0.00 175.52 175.57 1i6d s ASN 68 N -5.08 1.68 0.21 4.18 3.84 -1.08 -4.10 114.94 114.61 1i6d s ASN 68 Ca -0.14 -0.47 0.03 0.00 0.21 0.00 0.00 52.86 52.49 1i6d s ASN 68 Cb 0.02 0.33 0.17 0.00 -0.55 0.00 0.00 41.25 41.21 1i6d s ASN 68 CO 0.50 -0.35 1.50 1.55 -2.79 0.00 0.00 177.10 177.51 1i6d h PRO 69 N 8.31 0.28 -0.43 0.43 0.13 -1.38 -2.97 132.00 136.37 1i6d h PRO 69 Ca -0.16 -0.21 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1i6d h PRO 69 Cb 1.12 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1i6d h PRO 69 CO 0.31 0.84 -0.07 0.87 -0.23 0.00 0.00 178.00 179.73 1i6d h LYS 70 N 0.19 0.74 -0.20 0.86 6.56 -1.85 -1.02 116.57 121.86 1i6d h LYS 70 Ca -0.02 -0.22 -0.13 0.00 -1.06 0.00 0.00 60.65 59.22 1i6d h LYS 70 Cb 1.21 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 1i6d h LYS 70 CO 0.11 0.80 -0.43 0.00 -2.06 0.00 0.00 179.45 177.86 1i6d h ALA 71 N 1.24 0.88 0.00 3.86 0.00 -1.97 -3.09 119.26 120.19 1i6d h ALA 71 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1i6d h ALA 71 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i6d h ALA 71 CO 0.03 0.64 -0.22 0.28 0.00 0.00 0.00 179.25 179.98 1i6d h VAL 72 N 0.40 1.57 -3.52 0.00 2.07 -1.52 -3.41 116.25 111.84 1i6d h VAL 72 Ca 0.03 -1.98 -0.69 0.00 0.82 0.00 0.00 66.70 64.88 1i6d h VAL 72 Cb 0.92 2.84 -0.36 0.00 -1.52 0.00 0.00 31.29 33.17 1i6d h VAL 72 CO 0.08 0.54 -0.54 -0.69 0.02 0.00 0.00 177.57 176.97 1i6d s VAL 73 N -3.03 3.18 -0.13 2.57 1.01 -0.39 -5.10 120.40 118.52 1i6d s VAL 73 Ca -0.16 -2.36 -0.29 0.00 0.00 0.00 0.00 61.98 59.16 1i6d s VAL 73 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1i6d s VAL 73 CO 0.73 -0.72 1.38 -0.54 0.00 0.00 0.00 175.10 175.95 1i6d s LYS 74 N 0.77 4.22 0.00 2.72 3.01 -1.17 -2.79 119.74 126.51 1i6d s LYS 74 Ca 0.11 1.82 0.00 0.00 -1.01 0.00 0.00 55.97 56.89 1i6d s LYS 74 Cb -0.22 -3.83 0.00 0.00 -1.01 0.00 0.00 37.83 32.78 1i6d s LYS 74 CO -0.04 -0.74 0.00 0.41 0.51 0.00 0.00 175.35 175.48 1i6d n GLY 75 N 3.77 0.72 3.78 -3.33 0.00 -1.26 -4.70 105.19 104.16 1i6d n GLY 75 Ca 0.15 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.48 4.25 -1.65 2.61 -1.32 -1.12 -4.57 115.64 111.37 1i6d s THR 76 Ca 0.00 1.78 0.23 0.00 -1.21 0.00 0.00 61.69 62.49 1i6d s THR 76 Cb 0.00 -4.04 0.51 0.00 -1.51 0.00 0.00 72.50 67.45 1i6d s THR 76 CO 0.00 0.23 1.77 0.29 -2.21 0.00 0.00 174.62 174.70 1i6d n LYS 77 N 0.79 0.49 -2.18 7.08 5.02 -1.26 -4.80 118.16 123.30 1i6d n LYS 77 Ca 0.00 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 1i6d n LYS 77 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1i6d s MET 78 N -2.35 3.05 -1.28 1.97 1.75 -1.26 -4.95 119.30 116.23 1i6d s MET 78 Ca 0.27 0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 55.27 1i6d s MET 78 Cb 0.16 -4.24 0.11 0.00 2.84 0.00 0.00 34.83 33.70 1i6d s MET 78 CO 0.32 -2.23 1.68 0.00 -0.65 0.00 0.00 175.02 174.14 1i6d n ALA 79 N 10.93 3.97 -3.70 4.11 0.00 -1.26 -4.83 120.51 129.74 1i6d n ALA 79 Ca 0.18 -4.03 -0.13 0.00 0.00 0.00 0.00 53.44 49.45 1i6d n ALA 79 Cb 0.50 -3.35 -0.14 0.00 0.00 0.00 0.00 19.45 16.45 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 2.87 -0.16 -0.07 0.00 5.36 -1.26 -5.11 117.98 119.61 1i6d s PHE 80 Ca 0.48 0.48 -0.13 0.00 -0.96 0.00 0.00 56.93 56.80 1i6d s PHE 80 Cb 0.03 -0.07 -0.09 0.00 -0.34 0.00 0.00 43.02 42.54 1i6d s PHE 80 CO 0.03 -0.16 0.51 0.00 -1.46 0.00 0.00 175.22 174.14 1i6d h ALA 81 N 7.16 -0.26 0.00 11.12 0.00 -1.95 -3.41 119.26 131.92 1i6d h ALA 81 Ca -0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1i6d h ALA 81 Cb 1.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1i6d h ALA 81 CO 0.42 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1i6d n GLY 82 N 0.95 2.77 3.31 0.00 0.00 -1.26 -4.39 105.19 106.57 1i6d n GLY 82 Ca -0.05 -0.51 -0.46 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 6.21 0.22 0.99 1.43 0.60 -5.00 118.68 123.13 1i6d s LEU 83 Ca 0.00 -1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 51.27 1i6d s LEU 83 Cb 0.00 -2.21 0.19 0.00 0.03 0.00 0.00 46.19 44.20 1i6d s LEU 83 CO 0.00 -0.85 1.57 1.55 0.23 0.00 0.00 176.35 178.85 1i6d h PRO 84 N 8.85 0.53 -6.55 1.29 0.13 -1.87 -3.40 132.00 130.98 1i6d h PRO 84 Ca -0.29 -0.29 -0.53 0.00 -0.87 0.00 0.00 66.00 64.02 1i6d h PRO 84 Cb 1.10 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 84 CO 1.03 0.88 0.48 0.15 -0.23 0.00 0.00 178.00 180.32 1i6d s LYS 85 N -4.14 4.54 0.27 0.86 1.02 -1.26 -4.99 119.74 116.03 1i6d s LYS 85 Ca -0.07 1.68 -0.01 0.00 0.02 0.00 0.00 55.97 57.59 1i6d s LYS 85 Cb 0.12 -3.33 0.54 0.00 -0.52 0.00 0.00 37.83 34.63 1i6d s LYS 85 CO 0.83 -0.05 1.77 0.97 -0.92 0.00 0.00 175.35 177.95 1i6d h ILE 86 N 4.18 0.76 -0.35 2.17 6.09 -2.00 -3.00 117.51 125.36 1i6d h ILE 86 Ca -0.43 -0.23 0.08 0.00 -1.37 0.00 0.00 64.86 62.91 1i6d h ILE 86 Cb 1.21 0.02 -0.08 0.00 0.47 0.00 0.00 36.82 38.45 1i6d h ILE 86 CO 0.76 0.12 -0.22 -0.33 -3.07 0.00 0.00 178.15 175.42 1i6d h GLU 87 N 0.68 -0.16 -0.58 2.19 5.08 -1.94 0.93 114.58 120.78 1i6d h GLU 87 Ca 0.47 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.88 1i6d h GLU 87 Cb 0.63 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1i6d h GLU 87 CO -0.35 -0.11 0.32 -0.44 -1.00 0.00 0.00 179.01 177.43 1i6d h ASP 88 N -0.17 0.48 0.34 1.42 5.19 -1.89 -0.37 116.42 121.42 1i6d h ASP 88 Ca 0.17 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1i6d h ASP 88 Cb 0.44 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1i6d h ASP 88 CO -0.45 0.32 -0.16 0.03 -3.12 0.00 0.00 179.24 175.86 1i6d h ARG 89 N 0.61 -0.44 -0.85 3.56 3.08 -1.36 -2.16 114.38 116.82 1i6d h ARG 89 Ca 0.25 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1i6d h ARG 89 Cb 0.13 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1i6d h ARG 89 CO -0.16 -0.21 0.46 0.00 -1.07 0.00 0.00 179.97 179.00 1i6d h ALA 90 N 0.01 1.20 -0.12 0.04 0.00 -0.84 -0.39 119.26 119.17 1i6d h ALA 90 Ca -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1i6d h ALA 90 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1i6d h ALA 90 CO 0.08 0.64 0.07 -0.91 0.00 0.00 0.00 179.25 179.13 1i6d h ASN 91 N 1.20 0.14 -0.44 0.00 2.35 -0.50 -1.33 115.58 117.00 1i6d h ASN 91 Ca 0.30 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 1i6d h ASN 91 Cb 0.04 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1i6d h ASN 91 CO -0.05 0.14 0.27 0.25 -1.65 0.00 0.00 177.43 176.39 1i6d h LEU 92 N 0.14 0.45 -1.22 1.61 5.85 -1.31 -2.00 115.31 118.83 1i6d h LEU 92 Ca 0.04 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1i6d h LEU 92 Cb 0.02 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1i6d h LEU 92 CO -0.01 0.32 -0.17 0.40 -0.34 0.00 0.00 178.44 178.64 1i6d h ILE 93 N 0.55 1.22 -0.39 4.05 2.04 -1.09 0.12 117.51 124.00 1i6d h ILE 93 Ca 0.17 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1i6d h ILE 93 Cb -0.02 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1i6d h ILE 93 CO -0.06 0.31 0.21 0.00 0.00 0.00 0.00 178.15 178.60 1i6d h ALA 94 N 1.52 0.48 -0.37 1.87 0.00 -1.17 -2.05 119.26 119.55 1i6d h ALA 94 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1i6d h ALA 94 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1i6d h ALA 94 CO 0.03 -0.15 0.21 -0.92 0.00 0.00 0.00 179.25 178.42 1i6d h TYR 95 N 0.42 0.50 -0.93 0.00 3.20 -1.02 -2.31 116.97 116.82 1i6d h TYR 95 Ca 0.16 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.11 1i6d h TYR 95 Cb 0.05 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 1i6d h TYR 95 CO -0.09 0.38 0.58 -0.07 -1.64 0.00 0.00 178.16 177.32 1i6d h LEU 96 N 0.47 0.89 -0.51 2.82 3.38 -0.81 -2.07 115.31 119.49 1i6d h LEU 96 Ca 0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1i6d h LEU 96 Cb 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1i6d h LEU 96 CO -0.02 0.53 0.32 -0.33 0.09 0.00 0.00 178.44 179.03 1i6d h GLU 97 N 1.01 0.62 -0.43 1.13 5.08 -1.36 -3.09 114.58 117.53 1i6d h GLU 97 Ca 0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1i6d h GLU 97 Cb 0.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1i6d h GLU 97 CO -0.21 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 178.62 1i6d n GLY 98 N -1.24 0.10 2.53 -3.84 0.00 -0.87 -4.37 105.19 97.50 1i6d n GLY 98 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.28 0.93 0.00 1.61 1.13 -0.81 -5.04 117.38 114.93 1i6d n GLN 99 Ca 0.00 -3.71 0.00 0.00 -1.94 0.00 0.00 57.00 51.35 1i6d n GLN 99 Cb 0.11 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 28.60 1i6d n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66