#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 -1.51 -2.67 3.04 0.00 -1.26 -4.90 120.51 113.22 1i6d n ALA 2 Ca 0.00 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.25 1i6d n ALA 2 Cb 0.00 -4.35 -0.11 0.00 0.00 0.00 0.00 19.45 14.99 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 -3.62 5.86 0.45 0.00 -1.08 -1.26 -4.86 116.67 112.17 1i6d s ASP 3 Ca 0.44 -0.67 0.25 0.00 -0.52 0.00 0.00 52.55 52.05 1i6d s ASP 3 Cb -0.20 -2.08 0.97 0.00 -1.46 0.00 0.00 42.92 40.15 1i6d s ASP 3 CO 0.76 -0.30 1.85 1.55 0.52 0.00 0.00 175.17 179.55 1i6d h PRO 4 N 8.47 0.00 -0.09 4.34 0.13 -1.85 -0.37 132.00 142.63 1i6d h PRO 4 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1i6d h PRO 4 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1i6d h PRO 4 CO 0.66 0.20 0.03 0.00 -0.23 0.00 0.00 178.00 178.65 1i6d h ALA 5 N 1.80 0.12 -0.96 -0.56 0.00 -1.95 -0.45 119.26 117.27 1i6d h ALA 5 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1i6d h ALA 5 Cb 0.72 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1i6d h ALA 5 CO 0.03 -0.27 0.63 0.00 0.00 0.00 0.00 179.25 179.63 1i6d h ALA 6 N 0.85 1.37 -0.97 0.00 0.00 -1.92 -3.18 119.26 115.40 1i6d h ALA 6 Ca 0.03 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1i6d h ALA 6 Cb 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 1i6d h ALA 6 CO -0.00 0.55 0.60 0.78 0.00 0.00 0.00 179.25 181.18 1i6d h GLY 7 N 1.23 1.59 0.38 0.00 0.00 -0.95 -1.76 103.07 103.57 1i6d h GLY 7 Ca 0.38 -0.40 0.09 0.00 0.00 0.00 0.00 47.33 47.40 1i6d h GLY 7 CO -0.11 0.14 0.21 -2.09 0.00 0.00 0.00 176.54 174.68 1i6d h GLU 8 N 0.94 0.37 -0.35 4.80 4.22 -1.06 0.84 114.58 124.34 1i6d h GLU 8 Ca 0.49 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.92 1i6d h GLU 8 Cb 0.50 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1i6d h GLU 8 CO -0.27 0.24 0.19 0.87 -2.18 0.00 0.00 179.01 177.86 1i6d h LYS 9 N 0.38 0.39 -0.77 1.92 1.57 -1.43 -2.70 116.57 115.93 1i6d h LYS 9 Ca 0.30 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1i6d h LYS 9 Cb 0.37 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1i6d h LYS 9 CO -0.31 0.26 0.28 0.28 -0.57 0.00 0.00 179.45 179.39 1i6d h VAL 10 N 0.40 1.26 -0.01 0.50 2.07 -1.23 -2.52 116.25 116.72 1i6d h VAL 10 Ca 0.14 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1i6d h VAL 10 Cb 0.02 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1i6d h VAL 10 CO -0.08 0.34 0.32 0.15 0.02 0.00 0.00 177.57 178.32 1i6d h PHE 11 N 1.12 0.00 -1.18 1.57 3.04 -0.74 -2.35 116.94 118.40 1i6d h PHE 11 Ca 0.25 0.00 0.40 0.00 3.98 0.00 0.00 57.97 62.60 1i6d h PHE 11 Cb 0.25 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.62 1i6d h PHE 11 CO 0.02 0.00 0.73 0.78 -2.02 0.00 0.00 178.31 177.82 1i6d h GLY 12 N 0.00 1.63 1.83 2.40 0.00 -1.11 -0.28 103.07 107.54 1i6d h GLY 12 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1i6d h GLY 12 CO -0.00 -0.48 -0.36 0.50 0.00 0.00 0.00 176.54 176.20 1i6d h LYS 13 N 0.14 0.20 0.22 4.80 1.57 -1.63 -3.36 116.57 118.50 1i6d h LYS 13 Ca 0.80 -0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 59.18 1i6d h LYS 13 Cb 2.27 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 34.60 1i6d h LYS 13 CO -0.51 0.54 -1.41 0.00 -0.57 0.00 0.00 179.45 177.50 1i6d h LYS 15 N 0.02 0.12 -0.76 0.00 2.10 -1.27 -0.60 116.57 116.18 1i6d h LYS 15 Ca -0.26 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.43 1i6d h LYS 15 Cb 2.04 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 33.30 1i6d h LYS 15 CO 0.23 0.08 0.50 0.00 -2.00 0.00 0.00 179.45 178.26 1i6d h ALA 16 N 1.71 1.56 0.05 0.07 0.00 -1.81 -3.33 119.26 117.52 1i6d h ALA 16 Ca 0.28 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.80 1i6d h ALA 16 Cb 0.94 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1i6d h ALA 16 CO -0.03 0.35 -2.05 0.00 0.00 0.00 0.00 179.25 177.52 1i6d s HIS 18 N -2.51 3.02 -0.13 0.00 3.76 -0.29 -1.41 115.29 117.74 1i6d s HIS 18 Ca -0.29 -0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 1i6d s HIS 18 Cb 0.08 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.75 1i6d s HIS 18 CO 0.66 -0.07 0.24 0.15 -0.85 0.00 0.00 174.74 174.87 1i6d s LYS 19 N 0.45 3.94 0.30 1.40 1.02 -1.26 -4.15 119.74 121.44 1i6d s LYS 19 Ca -0.04 0.03 0.16 0.00 0.02 0.00 0.00 55.97 56.15 1i6d s LYS 19 Cb -0.14 -3.32 0.11 0.00 -0.52 0.00 0.00 37.83 33.96 1i6d s LYS 19 CO 0.03 0.49 1.47 -0.07 -0.92 0.00 0.00 175.35 176.35 1i6d h LEU 20 N 5.82 0.00 -4.41 3.17 3.38 -1.94 -2.63 115.31 118.70 1i6d h LEU 20 Ca -0.47 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 1i6d h LEU 20 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1i6d h LEU 20 CO 0.68 0.45 1.30 0.47 0.09 0.00 0.00 178.44 181.43 1i6d n ASP 21 N -3.22 6.56 -0.32 -0.43 8.00 -1.26 -4.40 116.55 121.49 1i6d n ASP 21 Ca 0.02 -2.50 -0.04 0.00 0.71 0.00 0.00 54.79 52.98 1i6d n ASP 21 Cb 0.71 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.33 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 2.94 0.35 2.83 0.44 0.00 -1.26 -4.96 105.19 105.52 1i6d n GLY 22 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.85 0.96 0.20 1.61 0.01 -1.26 -4.99 114.94 109.62 1i6d s ASN 23 Ca 0.00 -0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 1i6d s ASN 23 Cb 0.00 -0.36 -0.08 0.00 0.41 0.00 0.00 41.25 41.21 1i6d s ASN 23 CO 0.00 -0.11 1.18 1.51 -1.51 0.00 0.00 177.10 178.17 1i6d s ASP 24 N 1.27 7.11 0.00 -1.22 1.47 -1.26 -4.48 116.67 119.56 1i6d s ASP 24 Ca -0.06 2.25 0.00 0.00 1.18 0.00 0.00 52.55 55.92 1i6d s ASP 24 Cb -0.13 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 1i6d s ASP 24 CO -0.02 -0.33 0.00 0.61 0.68 0.00 0.00 175.17 176.11 1i6d n GLY 25 N 1.98 1.30 0.13 2.12 0.00 -1.26 -4.95 105.19 104.51 1i6d n GLY 25 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1i6d n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6d h VAL 26 N 0.00 1.42 -1.78 1.61 2.07 -1.83 -3.45 116.25 114.29 1i6d h VAL 26 Ca 0.00 -1.78 -0.46 0.00 0.82 0.00 0.00 66.70 65.28 1i6d h VAL 26 Cb 0.00 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1i6d h VAL 26 CO 0.00 0.51 -0.37 -0.83 0.02 0.00 0.00 177.57 176.90 1i6d s GLY 27 N -3.83 1.70 0.40 2.17 0.00 -0.50 -5.00 107.32 102.26 1i6d s GLY 27 Ca -0.14 -1.55 -0.25 0.00 0.00 0.00 0.00 44.72 42.78 1i6d s GLY 27 CO 0.78 -1.46 1.17 2.56 0.00 0.00 0.00 173.10 176.15 1i6d s PRO 28 N -4.12 4.07 -0.15 2.90 0.04 -1.26 -4.53 135.00 131.95 1i6d s PRO 28 Ca 0.44 1.83 -0.34 0.00 0.04 0.00 0.00 61.00 62.97 1i6d s PRO 28 Cb -0.08 -2.69 -0.12 0.00 0.04 0.00 0.00 34.50 31.66 1i6d s PRO 28 CO 0.30 -0.30 1.93 -2.39 0.04 0.00 0.00 177.00 176.58 1i6d n HIS 29 N 0.10 2.20 1.88 0.56 1.44 -1.26 -4.65 115.22 115.49 1i6d n HIS 29 Ca 0.04 0.07 0.14 0.00 -2.01 0.00 0.00 57.72 55.96 1i6d n HIS 29 Cb 0.46 -2.64 0.86 0.00 0.12 0.00 0.00 29.99 28.80 1i6d n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1i6d n LEU 30 N 7.27 0.00 -4.64 2.39 4.77 -0.99 -4.72 117.00 121.08 1i6d n LEU 30 Ca 0.26 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 1i6d n LEU 30 Cb 0.28 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1i6d n LEU 30 CO 0.74 0.00 1.11 0.21 -1.33 0.00 0.00 177.39 178.12 1i6d s ASN 31 N -1.96 6.75 0.00 -1.43 2.47 -1.26 -3.29 114.94 116.21 1i6d s ASN 31 Ca 0.43 1.28 0.00 0.00 0.42 0.00 0.00 52.86 55.00 1i6d s ASN 31 Cb 0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1i6d s ASN 31 CO 0.33 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.32 1i6d n GLY 32 N 4.14 0.83 0.11 1.21 0.00 0.03 -4.91 105.19 106.60 1i6d n GLY 32 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.69 1.68 -2.34 1.61 3.14 -1.21 -4.56 118.33 113.96 1i6d n VAL 33 Ca 0.00 -0.74 -0.43 0.00 -2.96 0.00 0.00 64.34 60.22 1i6d n VAL 33 Cb 0.40 -1.34 -0.02 0.00 -1.06 0.00 0.00 33.84 31.82 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 -2.58 4.07 0.00 1.55 1.01 -1.26 -1.70 120.40 121.50 1i6d s VAL 34 Ca -0.13 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1i6d s VAL 34 Cb 0.07 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1i6d s VAL 34 CO 0.80 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1i6d n GLY 35 N 4.13 0.80 3.77 4.51 0.00 -0.09 -5.01 105.19 113.30 1i6d n GLY 35 Ca 0.15 0.00 -0.38 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 -0.37 4.67 0.32 1.61 3.52 -0.69 -4.63 118.95 123.39 1i6d s ARG 36 Ca 0.00 1.43 -0.29 0.00 -0.13 0.00 0.00 55.73 56.75 1i6d s ARG 36 Cb 0.00 -2.99 -0.12 0.00 -1.56 0.00 0.00 34.95 30.27 1i6d s ARG 36 CO 0.00 0.34 1.31 2.41 -0.81 0.00 0.00 175.30 178.55 1i6d n THR 37 N 0.92 1.82 -2.12 4.11 -1.04 -1.26 -0.33 114.28 116.37 1i6d n THR 37 Ca 0.00 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.05 61.13 1i6d n THR 37 Cb 0.49 -1.55 -0.03 0.00 -1.82 0.00 0.00 70.33 67.42 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 -0.91 3.72 -0.36 12.58 1.01 -0.40 -2.27 120.40 133.77 1i6d s VAL 38 Ca 0.58 0.82 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 1i6d s VAL 38 Cb -0.58 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1i6d s VAL 38 CO 0.60 -0.26 0.34 0.00 0.00 0.00 0.00 175.10 175.78 1i6d n ALA 39 N 8.19 -1.92 -2.89 5.51 0.00 -1.26 -4.71 120.51 123.43 1i6d n ALA 39 Ca 0.18 0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.45 1i6d n ALA 39 Cb 0.45 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.36 3.65 2.67 0.00 0.00 -0.96 -4.99 105.19 104.19 1i6d n GLY 40 Ca -0.00 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.42 -0.15 -0.53 1.61 1.01 -1.26 -4.87 120.40 112.79 1i6d s VAL 41 Ca 0.39 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 1i6d s VAL 41 Cb 0.38 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 36.25 1i6d s VAL 41 CO -0.07 -0.16 1.54 -1.81 0.00 0.00 0.00 175.10 174.60 1i6d s ASP 42 N 2.19 5.97 0.00 3.32 1.01 -1.26 -2.62 116.67 125.28 1i6d s ASP 42 Ca 0.03 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1i6d s ASP 42 Cb -0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1i6d s ASP 42 CO -0.08 -1.80 0.00 0.61 0.21 0.00 0.00 175.17 174.10 1i6d n GLY 43 N 5.34 3.93 3.75 0.21 0.00 -1.26 -5.13 105.19 112.03 1i6d n GLY 43 Ca 0.15 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 3.69 -0.75 1.61 5.36 -1.08 -5.04 117.98 121.77 1i6d s PHE 44 Ca 0.00 1.34 -0.27 0.00 -0.96 0.00 0.00 56.93 57.04 1i6d s PHE 44 Cb 0.00 -2.75 0.03 0.00 -0.34 0.00 0.00 43.02 39.97 1i6d s PHE 44 CO 0.00 0.27 1.29 1.21 -1.46 0.00 0.00 175.22 176.52 1i6d s ASN 45 N 0.06 6.18 0.50 6.13 2.47 -1.26 -4.93 114.94 124.08 1i6d s ASN 45 Ca 0.36 -0.50 -0.14 0.00 0.42 0.00 0.00 52.86 53.00 1i6d s ASN 45 Cb -0.19 -2.56 -0.07 0.00 -1.45 0.00 0.00 41.25 36.98 1i6d s ASN 45 CO 0.20 -1.82 0.93 -0.31 -3.72 0.00 0.00 177.10 172.38 1i6d s TYR 46 N 5.70 3.48 0.44 0.43 2.02 -1.26 -5.08 117.35 123.07 1i6d s TYR 46 Ca 0.35 1.34 -0.24 0.00 -0.37 0.00 0.00 57.07 58.16 1i6d s TYR 46 Cb -0.08 -2.69 -0.08 0.00 -0.40 0.00 0.00 41.96 38.71 1i6d s TYR 46 CO 0.14 -0.33 1.15 -1.54 -1.57 0.00 0.00 175.55 173.39 1i6d s SER 47 N -3.22 6.34 0.24 2.29 1.04 -1.26 -4.89 113.70 114.25 1i6d s SER 47 Ca 0.56 2.27 -0.04 0.00 0.48 0.00 0.00 55.95 59.22 1i6d s SER 47 Cb -0.10 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 63.88 1i6d s SER 47 CO 0.34 -0.80 1.71 0.44 0.98 0.00 0.00 173.24 175.91 1i6d h ASP 48 N 2.25 0.17 -0.39 7.02 5.19 -1.98 -1.82 116.42 126.86 1i6d h ASP 48 Ca -0.49 0.12 0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1i6d h ASP 48 Cb 1.24 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 1i6d h ASP 48 CO 0.61 0.04 0.26 -0.65 -3.12 0.00 0.00 179.24 176.38 1i6d h PRO 49 N 0.37 0.42 -0.45 3.56 0.11 -1.85 0.06 132.00 134.21 1i6d h PRO 49 Ca 0.42 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.43 1i6d h PRO 49 Cb 0.67 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1i6d h PRO 49 CO -0.45 0.28 0.00 1.98 -0.21 0.00 0.00 178.00 179.60 1i6d h MET 50 N 0.43 0.78 -0.24 1.05 -1.53 -1.64 -2.77 114.93 111.01 1i6d h MET 50 Ca 0.15 -0.25 -0.03 0.00 -3.44 0.00 0.00 59.70 56.14 1i6d h MET 50 Cb 0.09 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1i6d h MET 50 CO -0.04 0.84 0.03 0.87 0.14 0.00 0.00 176.91 178.76 1i6d h LYS 51 N 0.63 0.41 -0.95 0.39 1.57 -1.11 -3.19 116.57 114.31 1i6d h LYS 51 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1i6d h LYS 51 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1i6d h LYS 51 CO 0.02 0.55 0.04 0.00 -0.57 0.00 0.00 179.45 179.49 1i6d n ALA 52 N -2.32 2.84 0.04 3.86 0.00 -0.01 -4.52 120.51 120.39 1i6d n ALA 52 Ca -0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 52.96 1i6d n ALA 52 Cb 0.21 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 0.51 -0.19 -2.10 0.00 6.17 -1.47 -3.49 115.15 114.58 1i6d h HIS 53 Ca 0.04 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1i6d h HIS 53 Cb 0.95 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.95 1i6d h HIS 53 CO 0.22 0.01 0.00 0.41 0.71 0.00 0.00 177.93 179.28 1i6d n GLY 54 N 1.15 -1.71 0.00 5.26 0.00 -1.26 -5.13 105.19 103.49 1i6d n GLY 54 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.07 -1.64 3.22 -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 44.76 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 -1.45 1.92 -1.27 1.61 1.01 -1.26 -1.27 116.67 115.96 1i6d s ASP 56 Ca 0.00 -0.75 -0.17 0.00 0.71 0.00 0.00 52.55 52.34 1i6d s ASP 56 Cb 0.00 -0.06 0.09 0.00 1.01 0.00 0.00 42.92 43.96 1i6d s ASP 56 CO 0.00 -0.12 1.67 0.26 0.21 0.00 0.00 175.17 177.19 1i6d s TRP 57 N -1.83 2.92 0.66 4.23 0.52 0.55 -4.89 118.94 121.09 1i6d s TRP 57 Ca 0.05 -1.71 -0.11 0.00 0.02 0.00 0.00 56.10 54.35 1i6d s TRP 57 Cb -0.07 -4.67 -0.02 0.00 -1.15 0.00 0.00 33.47 27.57 1i6d s TRP 57 CO 0.03 -1.73 1.05 0.95 0.02 0.00 0.00 176.95 177.27 1i6d s THR 58 N 3.70 4.28 0.22 2.01 -4.23 -1.26 -0.91 115.64 119.45 1i6d s THR 58 Ca 0.51 0.77 -0.09 0.00 -1.18 0.00 0.00 61.69 61.70 1i6d s THR 58 Cb 0.02 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.47 1i6d s THR 58 CO 0.06 -0.94 1.69 1.55 -0.54 0.00 0.00 174.62 176.44 1i6d h PRO 59 N -0.45 0.22 -0.28 3.99 0.13 -1.99 -0.15 132.00 133.47 1i6d h PRO 59 Ca -0.44 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1i6d h PRO 59 Cb 1.20 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1i6d h PRO 59 CO 0.59 0.15 -0.24 1.05 -0.23 0.00 0.00 178.00 179.32 1i6d h GLU 60 N 0.23 -0.22 -0.55 0.86 4.11 -1.99 -1.09 114.58 115.93 1i6d h GLU 60 Ca 0.33 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.76 1i6d h GLU 60 Cb 0.52 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1i6d h GLU 60 CO -0.45 -0.14 0.27 0.00 0.07 0.00 0.00 179.01 178.75 1i6d h ALA 61 N 0.86 0.71 -0.21 1.06 0.00 -1.82 -2.53 119.26 117.33 1i6d h ALA 61 Ca 0.15 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1i6d h ALA 61 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1i6d h ALA 61 CO -0.41 0.27 0.09 -0.07 0.00 0.00 0.00 179.25 179.12 1i6d h LEU 62 N 0.74 0.12 -1.15 0.00 3.38 -1.02 -1.36 115.31 116.02 1i6d h LEU 62 Ca 0.19 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1i6d h LEU 62 Cb 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1i6d h LEU 62 CO -0.02 0.10 -0.03 0.06 0.09 0.00 0.00 178.44 178.64 1i6d h GLN 63 N 0.20 0.56 0.49 1.13 3.07 -1.21 0.11 115.11 119.46 1i6d h GLN 63 Ca 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 1i6d h GLN 63 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.53 1i6d h GLN 63 CO -0.08 0.61 -0.24 0.93 0.09 0.00 0.00 178.83 180.14 1i6d h GLU 64 N 0.53 -0.64 -0.78 0.06 5.08 -1.45 -2.12 114.58 115.26 1i6d h GLU 64 Ca 0.11 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1i6d h GLU 64 Cb 0.38 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1i6d h GLU 64 CO 0.02 -0.41 0.51 0.35 -1.00 0.00 0.00 179.01 178.47 1i6d h PHE 65 N -0.69 0.95 0.00 4.33 3.57 -1.15 -2.66 116.94 121.30 1i6d h PHE 65 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1i6d h PHE 65 Cb 0.52 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1i6d h PHE 65 CO -0.04 0.58 0.00 1.28 -2.23 0.00 0.00 178.31 177.90 1i6d n LEU 66 N -4.57 0.66 0.16 0.59 4.77 0.38 -1.36 117.00 117.63 1i6d n LEU 66 Ca 0.08 0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1i6d n LEU 66 Cb 0.05 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1i6d n LEU 66 CO 0.35 -0.43 0.42 0.74 -1.33 0.00 0.00 177.39 177.13 1i6d h THR 67 N 0.00 0.51 -2.55 -5.08 2.02 -1.04 0.16 112.91 106.93 1i6d h THR 67 Ca 0.00 -0.71 -0.38 0.00 0.77 0.00 0.00 66.41 66.09 1i6d h THR 67 Cb 0.46 0.79 -0.37 0.00 -1.74 0.00 0.00 68.15 67.29 1i6d h THR 67 CO 0.00 0.11 -0.67 0.21 0.37 0.00 0.00 175.52 175.53 1i6d s ASN 68 N -5.08 2.00 0.15 4.18 3.84 -1.07 -4.19 114.94 114.77 1i6d s ASN 68 Ca -0.12 -0.62 -0.08 0.00 0.21 0.00 0.00 52.86 52.25 1i6d s ASN 68 Cb 0.01 0.19 -0.02 0.00 -0.55 0.00 0.00 41.25 40.88 1i6d s ASN 68 CO 0.45 -0.37 1.43 1.55 -2.79 0.00 0.00 177.10 177.37 1i6d h PRO 69 N 8.33 0.73 0.00 0.43 0.13 -1.43 -2.95 132.00 137.24 1i6d h PRO 69 Ca -0.16 -0.49 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 1i6d h PRO 69 Cb 1.10 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1i6d h PRO 69 CO 0.33 1.11 -0.04 0.87 -0.23 0.00 0.00 178.00 180.04 1i6d h LYS 70 N 0.54 0.00 -0.08 0.86 1.57 -1.85 -1.16 116.57 116.45 1i6d h LYS 70 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1i6d h LYS 70 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1i6d h LYS 70 CO 0.12 0.04 -0.25 0.00 -0.57 0.00 0.00 179.45 178.79 1i6d h ALA 71 N 1.96 0.14 0.04 3.86 0.00 -1.96 -3.32 119.26 119.98 1i6d h ALA 71 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i6d h ALA 71 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1i6d h ALA 71 CO 0.01 0.14 -0.02 0.28 0.00 0.00 0.00 179.25 179.65 1i6d h VAL 72 N -0.15 1.28 -3.31 0.00 2.07 -1.49 -3.39 116.25 111.26 1i6d h VAL 72 Ca -0.01 -1.12 -0.72 0.00 0.82 0.00 0.00 66.70 65.66 1i6d h VAL 72 Cb 0.87 2.02 -0.29 0.00 -1.52 0.00 0.00 31.29 32.37 1i6d h VAL 72 CO 0.05 0.28 -0.40 -0.69 0.02 0.00 0.00 177.57 176.84 1i6d s VAL 73 N -4.16 4.20 -0.69 2.57 1.01 -0.44 -5.06 120.40 117.83 1i6d s VAL 73 Ca -0.16 -1.77 -0.27 0.00 0.00 0.00 0.00 61.98 59.79 1i6d s VAL 73 Cb 0.01 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1i6d s VAL 73 CO 0.64 -0.76 1.54 -0.75 0.00 0.00 0.00 175.10 175.78 1i6d s LYS 74 N 1.36 2.94 0.00 2.72 2.20 -1.25 -2.23 119.74 125.48 1i6d s LYS 74 Ca 0.06 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1i6d s LYS 74 Cb -0.26 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.77 1i6d s LYS 74 CO -0.01 -2.42 0.00 0.41 -0.36 0.00 0.00 175.35 172.98 1i6d n GLY 75 N 5.55 0.90 3.74 5.54 0.00 -1.26 -4.74 105.19 114.92 1i6d n GLY 75 Ca 0.11 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.38 3.84 -2.00 2.61 -1.32 -0.95 -4.44 115.64 111.00 1i6d s THR 76 Ca 0.00 1.65 0.06 0.00 -1.21 0.00 0.00 61.69 62.19 1i6d s THR 76 Cb 0.00 -4.05 0.18 0.00 -1.51 0.00 0.00 72.50 67.12 1i6d s THR 76 CO 0.00 0.31 0.83 2.29 -2.21 0.00 0.00 174.62 175.84 1i6d n LYS 77 N 2.09 0.47 -2.42 7.08 2.85 -1.26 -4.80 118.16 122.18 1i6d n LYS 77 Ca 0.02 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.85 1i6d n LYS 77 Cb 0.46 -1.21 -0.02 0.00 -0.65 0.00 0.00 35.03 33.61 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 3.51 -1.29 -1.58 1.75 -1.26 -4.97 119.30 113.46 1i6d s MET 78 Ca 0.10 0.70 -0.18 0.00 -1.25 0.00 0.00 55.69 55.05 1i6d s MET 78 Cb 0.04 -4.03 0.07 0.00 2.84 0.00 0.00 34.83 33.75 1i6d s MET 78 CO 0.07 -1.65 1.73 0.00 -0.65 0.00 0.00 175.02 174.52 1i6d s ALA 79 N 5.44 3.32 -0.10 4.11 0.00 -1.26 -4.82 121.76 128.45 1i6d s ALA 79 Ca 0.56 -2.92 -0.05 0.00 0.00 0.00 0.00 51.96 49.55 1i6d s ALA 79 Cb -0.11 -4.64 0.05 0.00 0.00 0.00 0.00 23.12 18.42 1i6d s ALA 79 CO 0.30 -3.29 0.23 0.12 0.00 0.00 0.00 175.76 173.11 1i6d s PHE 80 N 4.18 -0.31 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.79 1i6d s PHE 80 Ca 0.54 0.76 -0.10 0.00 -0.96 0.00 0.00 56.93 57.17 1i6d s PHE 80 Cb 0.04 -0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.64 1i6d s PHE 80 CO 0.07 -0.25 0.39 0.00 -1.46 0.00 0.00 175.22 173.97 1i6d h ALA 81 N 7.55 -0.33 0.00 11.12 0.00 -1.95 -3.41 119.26 132.25 1i6d h ALA 81 Ca -0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i6d h ALA 81 Cb 1.14 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i6d h ALA 81 CO 0.31 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1i6d n GLY 82 N 0.94 2.48 3.35 0.00 0.00 -1.26 -4.42 105.19 106.28 1i6d n GLY 82 Ca -0.04 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 1i6d n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6d s LEU 83 N 0.00 5.78 0.24 0.99 1.43 0.57 -5.00 118.68 122.68 1i6d s LEU 83 Ca 0.00 -1.59 0.03 0.00 -1.03 0.00 0.00 54.13 51.54 1i6d s LEU 83 Cb 0.00 -2.26 0.26 0.00 0.03 0.00 0.00 46.19 44.22 1i6d s LEU 83 CO 0.00 -0.97 1.58 1.55 0.23 0.00 0.00 176.35 178.74 1i6d h PRO 84 N 9.02 0.32 -6.36 1.29 0.13 -1.88 -3.40 132.00 131.11 1i6d h PRO 84 Ca -0.30 -0.20 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 1i6d h PRO 84 Cb 1.09 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 84 CO 1.06 0.78 0.46 0.15 -0.23 0.00 0.00 178.00 180.22 1i6d s LYS 85 N -3.90 4.50 0.25 0.86 1.02 -1.26 -4.99 119.74 116.22 1i6d s LYS 85 Ca -0.05 1.44 -0.03 0.00 0.02 0.00 0.00 55.97 57.36 1i6d s LYS 85 Cb 0.12 -3.48 0.50 0.00 -0.52 0.00 0.00 37.83 34.45 1i6d s LYS 85 CO 0.80 -0.17 1.74 0.97 -0.92 0.00 0.00 175.35 177.77 1i6d h ILE 86 N 4.89 0.67 -0.43 2.17 6.09 -2.00 -2.77 117.51 126.12 1i6d h ILE 86 Ca -0.37 -0.17 0.06 0.00 -1.37 0.00 0.00 64.86 63.00 1i6d h ILE 86 Cb 1.19 0.12 -0.05 0.00 0.47 0.00 0.00 36.82 38.56 1i6d h ILE 86 CO 0.79 0.09 0.15 -0.33 -3.07 0.00 0.00 178.15 175.78 1i6d h GLU 87 N 0.50 0.30 -0.67 2.19 5.08 -1.98 0.70 114.58 120.70 1i6d h GLU 87 Ca 0.44 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 1i6d h GLU 87 Cb 0.66 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1i6d h GLU 87 CO -0.40 0.20 0.38 -0.44 -1.00 0.00 0.00 179.01 177.75 1i6d h ASP 88 N 0.31 0.58 0.39 1.42 5.19 -1.93 -0.01 116.42 122.38 1i6d h ASP 88 Ca 0.20 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 1i6d h ASP 88 Cb 0.20 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1i6d h ASP 88 CO -0.22 0.38 -0.19 0.03 -3.12 0.00 0.00 179.24 176.12 1i6d h ARG 89 N 0.71 -0.51 -0.64 3.56 3.08 -1.28 -2.48 114.38 116.83 1i6d h ARG 89 Ca 0.29 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.41 1i6d h ARG 89 Cb 0.15 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1i6d h ARG 89 CO -0.17 -0.28 0.38 0.00 -1.07 0.00 0.00 179.97 178.83 1i6d h ALA 90 N -0.06 0.83 -0.05 0.04 0.00 -0.85 -0.46 119.26 118.71 1i6d h ALA 90 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1i6d h ALA 90 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1i6d h ALA 90 CO 0.09 0.10 -0.11 -0.91 0.00 0.00 0.00 179.25 178.43 1i6d h ASN 91 N 0.73 -0.32 -0.34 0.00 2.35 -1.09 -0.74 115.58 116.18 1i6d h ASN 91 Ca 0.26 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1i6d h ASN 91 Cb 0.07 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1i6d h ASN 91 CO -0.13 -0.15 0.18 0.25 -1.65 0.00 0.00 177.43 175.94 1i6d h LEU 92 N -0.16 0.29 -0.97 1.61 6.46 -1.36 -2.35 115.31 118.82 1i6d h LEU 92 Ca 0.06 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1i6d h LEU 92 Cb 0.24 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1i6d h LEU 92 CO -0.14 0.21 0.51 0.40 -0.62 0.00 0.00 178.44 178.80 1i6d h ILE 93 N 0.38 1.25 -0.79 4.05 2.04 -1.06 0.23 117.51 123.61 1i6d h ILE 93 Ca 0.14 -0.59 0.12 0.00 1.00 0.00 0.00 64.86 65.53 1i6d h ILE 93 Cb 0.03 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.04 1i6d h ILE 93 CO -0.08 0.27 0.41 0.00 0.00 0.00 0.00 178.15 178.75 1i6d h ALA 94 N 1.32 1.15 -0.57 1.87 0.00 -1.07 0.28 119.26 122.24 1i6d h ALA 94 Ca 0.32 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1i6d h ALA 94 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1i6d h ALA 94 CO -0.06 -0.04 0.22 -0.92 0.00 0.00 0.00 179.25 178.45 1i6d h TYR 95 N 0.65 0.87 -0.46 0.00 3.20 -0.84 -1.90 116.97 118.49 1i6d h TYR 95 Ca 0.41 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 1i6d h TYR 95 Cb 0.49 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1i6d h TYR 95 CO -0.09 0.71 0.29 -0.07 -1.64 0.00 0.00 178.16 177.35 1i6d h LEU 96 N 0.78 0.54 -0.90 2.82 3.38 -0.77 0.50 115.31 121.66 1i6d h LEU 96 Ca 0.19 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1i6d h LEU 96 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1i6d h LEU 96 CO -0.01 0.41 0.01 -0.33 0.09 0.00 0.00 178.44 178.61 1i6d h GLU 97 N 0.63 0.83 -0.58 1.13 5.08 -0.88 -3.16 114.58 117.64 1i6d h GLU 97 Ca 0.17 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1i6d h GLU 97 Cb -0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1i6d h GLU 97 CO -0.03 0.82 0.27 0.78 -1.00 0.00 0.00 179.01 179.85 1i6d h GLY 98 N 0.98 0.89 -5.73 -3.84 0.00 -1.06 -3.32 103.07 91.00 1i6d h GLY 98 Ca 0.15 -0.45 -0.74 0.00 0.00 0.00 0.00 47.33 46.30 1i6d h GLY 98 CO 0.02 0.43 2.51 -1.06 0.00 0.00 0.00 176.54 178.43 1i6d n GLN 99 N -4.53 4.29 0.00 4.80 1.13 0.14 -5.06 117.38 118.15 1i6d n GLN 99 Ca 0.03 -3.33 0.00 0.00 -1.94 0.00 0.00 57.00 51.76 1i6d n GLN 99 Cb 0.13 -2.72 0.00 0.00 0.11 0.00 0.00 30.24 27.76 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56