#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6d n ALA 2 N 0.00 4.23 -3.15 3.04 0.00 -1.26 -2.00 120.51 121.36 1i6d n ALA 2 Ca 0.00 -4.74 -0.37 0.00 0.00 0.00 0.00 53.44 48.33 1i6d n ALA 2 Cb 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 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 -1.92 5.18 0.44 0.00 -1.08 -1.26 -4.88 116.67 113.14 1i6d s ASP 3 Ca 0.35 -0.73 0.24 0.00 -0.52 0.00 0.00 52.55 51.90 1i6d s ASP 3 Cb 0.08 -1.89 0.88 0.00 -1.46 0.00 0.00 42.92 40.53 1i6d s ASP 3 CO -0.02 -0.20 1.81 1.55 0.52 0.00 0.00 175.17 178.83 1i6d h PRO 4 N 8.24 0.00 -0.25 4.34 0.13 -1.84 -0.71 132.00 141.92 1i6d h PRO 4 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 1i6d h PRO 4 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 4 CO 0.61 0.21 0.02 0.00 -0.23 0.00 0.00 178.00 178.61 1i6d h ALA 5 N 1.79 0.33 -0.92 -0.56 0.00 -1.96 -0.33 119.26 117.62 1i6d h ALA 5 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1i6d h ALA 5 Cb 0.78 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1i6d h ALA 5 CO 0.03 0.03 0.60 0.00 0.00 0.00 0.00 179.25 179.91 1i6d h ALA 6 N 0.83 1.19 -0.99 0.00 0.00 -1.92 -3.24 119.26 115.13 1i6d h ALA 6 Ca 0.07 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1i6d h ALA 6 Cb 0.37 -0.35 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1i6d h ALA 6 CO 0.01 0.52 0.61 0.78 0.00 0.00 0.00 179.25 181.17 1i6d h GLY 7 N 1.20 1.62 0.51 0.00 0.00 -1.00 -1.03 103.07 104.37 1i6d h GLY 7 Ca 0.35 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.34 1i6d h GLY 7 CO -0.10 0.14 0.09 -2.09 0.00 0.00 0.00 176.54 174.58 1i6d h GLU 8 N 0.95 0.22 -0.48 4.80 4.22 -1.09 0.10 114.58 123.31 1i6d h GLU 8 Ca 0.50 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.91 1i6d h GLU 8 Cb 0.51 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1i6d h GLU 8 CO -0.28 0.15 0.27 0.87 -2.18 0.00 0.00 179.01 177.84 1i6d h LYS 9 N 0.23 0.67 -0.89 1.92 1.57 -1.51 -2.89 116.57 115.67 1i6d h LYS 9 Ca 0.20 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1i6d h LYS 9 Cb 0.24 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1i6d h LYS 9 CO -0.25 0.53 0.58 0.28 -0.57 0.00 0.00 179.45 180.01 1i6d h VAL 10 N 0.64 1.17 0.00 0.50 2.07 -1.14 -2.47 116.25 117.02 1i6d h VAL 10 Ca 0.17 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1i6d h VAL 10 Cb 0.05 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1i6d h VAL 10 CO -0.03 0.21 0.10 0.15 0.02 0.00 0.00 177.57 178.02 1i6d h PHE 11 N 1.14 0.00 -1.03 1.57 3.04 -0.65 -1.85 116.94 119.16 1i6d h PHE 11 Ca 0.35 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.64 1i6d h PHE 11 Cb -0.03 0.00 -0.15 0.00 2.56 0.00 0.00 35.95 38.33 1i6d h PHE 11 CO -0.01 0.00 0.60 0.78 -2.02 0.00 0.00 178.31 177.65 1i6d h GLY 12 N 0.00 2.00 1.91 2.40 0.00 -1.23 -0.10 103.07 108.05 1i6d h GLY 12 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1i6d h GLY 12 CO 0.00 -0.51 0.00 0.28 0.00 0.00 0.00 176.54 176.31 1i6d n LYS 13 N -5.03 0.05 -0.08 4.80 5.02 -0.70 -4.08 118.16 118.15 1i6d n LYS 13 Ca 0.33 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 1i6d n LYS 13 Cb 1.05 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.49 1i6d n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i6d h LYS 15 N 0.00 0.00 -0.65 0.00 2.10 -1.23 -1.16 116.57 115.64 1i6d h LYS 15 Ca -0.36 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.33 1i6d h LYS 15 Cb 1.57 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.86 1i6d h LYS 15 CO -0.05 0.00 0.43 0.00 -2.00 0.00 0.00 179.45 177.82 1i6d h ALA 16 N 1.85 1.69 0.04 0.07 0.00 -1.87 -3.33 119.26 117.72 1i6d h ALA 16 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.58 1i6d h ALA 16 Cb 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1i6d h ALA 16 CO -0.00 0.23 -2.16 0.00 0.00 0.00 0.00 179.25 177.32 1i6d s HIS 18 N -2.51 3.11 -0.16 0.00 3.76 -0.50 -1.34 115.29 117.65 1i6d s HIS 18 Ca -0.30 -0.04 -0.08 0.00 -0.15 0.00 0.00 55.06 54.49 1i6d s HIS 18 Cb 0.09 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 1i6d s HIS 18 CO 0.64 0.20 0.13 0.15 -0.85 0.00 0.00 174.74 175.02 1i6d s LYS 19 N -0.16 3.82 0.35 1.40 1.02 -1.26 -4.26 119.74 120.65 1i6d s LYS 19 Ca 0.04 -0.19 0.23 0.00 0.02 0.00 0.00 55.97 56.08 1i6d s LYS 19 Cb -0.13 -3.30 0.26 0.00 -0.52 0.00 0.00 37.83 34.15 1i6d s LYS 19 CO 0.02 0.52 1.44 -0.07 -0.92 0.00 0.00 175.35 176.34 1i6d h LEU 20 N 5.88 0.00 -4.12 3.17 3.38 -1.95 -2.37 115.31 119.31 1i6d h LEU 20 Ca -0.47 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.24 1i6d h LEU 20 Cb 1.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1i6d h LEU 20 CO 0.67 0.00 -0.14 0.47 0.09 0.00 0.00 178.44 179.54 1i6d n ASP 21 N -2.90 5.54 -0.64 -0.43 8.00 -1.26 -4.37 116.55 120.49 1i6d n ASP 21 Ca 0.03 -2.59 -0.07 0.00 0.71 0.00 0.00 54.79 52.87 1i6d n ASP 21 Cb 0.53 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 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 2.30 0.63 2.77 0.44 0.00 -1.26 -4.96 105.19 105.11 1i6d n GLY 22 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.79 0.61 0.51 1.61 0.01 -1.26 -5.00 114.94 109.63 1i6d s ASN 23 Ca 0.00 0.01 -0.19 0.00 -0.71 0.00 0.00 52.86 51.96 1i6d s ASN 23 Cb 0.00 -0.19 -0.07 0.00 0.41 0.00 0.00 41.25 41.40 1i6d s ASN 23 CO 0.00 -0.15 1.05 1.51 -1.51 0.00 0.00 177.10 178.00 1i6d s ASP 24 N 1.37 6.19 0.00 -1.22 -4.77 -1.26 -4.55 116.67 112.43 1i6d s ASP 24 Ca -0.05 1.92 0.00 0.00 -3.30 0.00 0.00 52.55 51.12 1i6d s ASP 24 Cb -0.13 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1i6d s ASP 24 CO -0.03 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 175.57 1i6d n GLY 25 N -0.39 2.46 0.10 2.12 0.00 -1.26 -4.97 105.19 103.25 1i6d n GLY 25 Ca 0.09 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 1.18 -1.66 1.61 2.07 -1.91 -3.46 116.25 114.07 1i6d h VAL 26 Ca 0.00 -1.28 -0.46 0.00 0.82 0.00 0.00 66.70 65.78 1i6d h VAL 26 Cb 0.00 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1i6d h VAL 26 CO 0.00 0.30 -0.35 -0.83 0.02 0.00 0.00 177.57 176.70 1i6d s GLY 27 N -3.34 1.84 0.27 2.17 0.00 -0.45 -5.01 107.32 102.80 1i6d s GLY 27 Ca -0.15 -1.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 1i6d s GLY 27 CO 0.58 -1.52 1.21 2.56 0.00 0.00 0.00 173.10 175.93 1i6d s PRO 28 N -4.17 4.50 -0.06 2.90 0.04 -1.26 -4.56 135.00 132.39 1i6d s PRO 28 Ca 0.47 1.97 -0.36 0.00 0.04 0.00 0.00 61.00 63.13 1i6d s PRO 28 Cb -0.07 -3.16 -0.14 0.00 0.04 0.00 0.00 34.50 31.16 1i6d s PRO 28 CO 0.30 -0.02 1.71 -2.39 0.04 0.00 0.00 177.00 176.64 1i6d n HIS 29 N 1.48 2.13 1.56 0.56 1.44 -1.26 -4.69 115.22 116.45 1i6d n HIS 29 Ca 0.01 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.12 1i6d n HIS 29 Cb 0.44 -2.54 0.55 0.00 0.12 0.00 0.00 29.99 28.55 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 5.08 1.09 -4.65 2.39 4.77 -0.89 -4.66 117.00 120.13 1i6d n LEU 30 Ca 0.22 -0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 1i6d n LEU 30 Cb 0.24 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1i6d n LEU 30 CO 0.72 0.21 0.91 0.21 -1.33 0.00 0.00 177.39 178.10 1i6d s ASN 31 N -1.79 7.01 0.00 -1.43 2.47 -1.26 -3.73 114.94 116.20 1i6d s ASN 31 Ca 0.36 1.21 0.00 0.00 0.42 0.00 0.00 52.86 54.85 1i6d s ASN 31 Cb 0.19 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1i6d s ASN 31 CO 0.30 -0.74 0.00 0.61 -3.72 0.00 0.00 177.10 173.55 1i6d n GLY 32 N 3.58 0.94 0.11 1.21 0.00 -0.06 -4.83 105.19 106.15 1i6d n GLY 32 Ca 0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.44 1.50 -2.20 1.61 3.14 -1.24 -4.65 118.33 114.05 1i6d n VAL 33 Ca 0.00 -0.75 -0.43 0.00 -2.96 0.00 0.00 64.34 60.20 1i6d n VAL 33 Cb 0.50 -0.96 -0.02 0.00 -1.06 0.00 0.00 33.84 32.30 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 -2.52 3.80 0.00 1.55 1.01 -1.26 -1.52 120.40 121.46 1i6d s VAL 34 Ca -0.17 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1i6d s VAL 34 Cb 0.07 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1i6d s VAL 34 CO 0.76 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1i6d n GLY 35 N 4.66 1.05 3.78 4.51 0.00 0.02 -5.00 105.19 114.21 1i6d n GLY 35 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.43 4.58 0.44 1.61 3.52 -0.57 -4.55 118.95 123.54 1i6d s ARG 36 Ca 0.00 1.30 -0.25 0.00 -0.13 0.00 0.00 55.73 56.65 1i6d s ARG 36 Cb 0.00 -2.85 -0.09 0.00 -1.56 0.00 0.00 34.95 30.45 1i6d s ARG 36 CO 0.00 0.31 1.29 2.41 -0.81 0.00 0.00 175.30 178.49 1i6d n THR 37 N 0.65 2.72 -2.12 4.11 -1.04 -1.26 -0.52 114.28 116.82 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 0.50 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 1i6d n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6d s VAL 38 N -1.22 3.69 -1.06 12.58 1.01 -0.37 -1.16 120.40 133.87 1i6d s VAL 38 Ca 0.62 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1i6d s VAL 38 Cb -0.49 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1i6d s VAL 38 CO 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.61 1i6d n ALA 39 N 6.56 -0.25 -1.67 5.51 0.00 -1.26 -4.76 120.51 124.63 1i6d n ALA 39 Ca 0.16 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 1i6d n ALA 39 Cb 0.43 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.30 4.92 2.87 0.00 0.00 -0.31 -4.77 105.19 106.61 1i6d n GLY 40 Ca -0.12 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.62 1.39 -0.67 1.61 1.01 -1.26 -4.82 120.40 114.04 1i6d s VAL 41 Ca 0.55 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1i6d s VAL 41 Cb 0.41 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1i6d s VAL 41 CO -0.30 -0.42 1.63 -1.81 0.00 0.00 0.00 175.10 174.20 1i6d s ASP 42 N 1.40 5.63 0.00 3.32 1.01 -1.26 -2.45 116.67 124.32 1i6d s ASP 42 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1i6d s ASP 42 Cb -0.18 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1i6d s ASP 42 CO -0.13 -2.16 0.00 0.61 0.21 0.00 0.00 175.17 173.69 1i6d n GLY 43 N 5.59 1.34 3.62 0.21 0.00 -1.26 -5.13 105.19 109.56 1i6d n GLY 43 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.07 -1.02 1.61 5.36 -1.02 -4.93 117.98 121.05 1i6d s PHE 44 Ca 0.00 0.07 -0.22 0.00 -0.96 0.00 0.00 56.93 55.81 1i6d s PHE 44 Cb 0.00 -1.80 0.06 0.00 -0.34 0.00 0.00 43.02 40.95 1i6d s PHE 44 CO 0.00 0.35 1.42 1.21 -1.46 0.00 0.00 175.22 176.74 1i6d s ASN 45 N -0.65 6.52 0.57 6.13 2.47 -1.26 -4.95 114.94 123.77 1i6d s ASN 45 Ca 0.10 -1.55 -0.16 0.00 0.42 0.00 0.00 52.86 51.67 1i6d s ASN 45 Cb -0.12 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 37.08 1i6d s ASN 45 CO 0.02 -1.45 1.04 -0.31 -3.72 0.00 0.00 177.10 172.68 1i6d s TYR 46 N 4.68 3.11 0.45 0.43 2.02 -1.26 -5.07 117.35 121.72 1i6d s TYR 46 Ca 0.45 1.50 -0.23 0.00 -0.37 0.00 0.00 57.07 58.42 1i6d s TYR 46 Cb -0.00 -2.95 -0.08 0.00 -0.40 0.00 0.00 41.96 38.53 1i6d s TYR 46 CO -0.09 -0.91 1.13 -1.54 -1.57 0.00 0.00 175.55 172.57 1i6d s SER 47 N -2.84 6.27 0.26 2.29 1.04 -1.26 -4.90 113.70 114.57 1i6d s SER 47 Ca 0.62 2.23 -0.01 0.00 0.48 0.00 0.00 55.95 59.27 1i6d s SER 47 Cb -0.14 -2.60 0.55 0.00 0.10 0.00 0.00 66.02 63.93 1i6d s SER 47 CO 0.35 -0.84 1.75 0.44 0.98 0.00 0.00 173.24 175.92 1i6d h ASP 48 N 2.07 0.46 -0.36 7.02 3.32 -1.98 -1.74 116.42 125.21 1i6d h ASP 48 Ca -0.49 0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1i6d h ASP 48 Cb 1.24 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1i6d h ASP 48 CO 0.60 0.17 0.24 -0.65 -1.72 0.00 0.00 179.24 177.89 1i6d h PRO 49 N 0.56 0.34 -0.41 3.56 0.11 -1.85 0.46 132.00 134.78 1i6d h PRO 49 Ca 0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.47 1i6d h PRO 49 Cb 0.70 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1i6d h PRO 49 CO -0.39 0.23 -0.10 1.98 -0.21 0.00 0.00 178.00 179.51 1i6d h MET 50 N 0.35 0.78 -0.24 1.05 4.05 -1.64 -2.93 114.93 116.36 1i6d h MET 50 Ca 0.15 -0.30 -0.02 0.00 -0.28 0.00 0.00 59.70 59.25 1i6d h MET 50 Cb 0.15 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1i6d h MET 50 CO -0.03 0.91 0.06 0.87 0.23 0.00 0.00 176.91 178.95 1i6d h LYS 51 N 0.60 0.37 -0.96 0.39 1.57 -1.03 -3.17 116.57 114.35 1i6d h LYS 51 Ca 0.10 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1i6d h LYS 51 Cb 0.62 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1i6d h LYS 51 CO 0.04 0.47 0.10 0.00 -0.57 0.00 0.00 179.45 179.49 1i6d n ALA 52 N -2.28 3.11 0.01 3.86 0.00 0.13 -4.56 120.51 120.77 1i6d n ALA 52 Ca -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.74 1i6d n ALA 52 Cb 0.17 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 0.57 -0.14 -1.93 0.00 6.17 -1.48 -3.49 115.15 114.86 1i6d h HIS 53 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1i6d h HIS 53 Cb 1.23 0.04 0.00 0.00 2.52 0.00 0.00 27.41 31.20 1i6d h HIS 53 CO 0.35 -0.01 0.00 0.41 0.71 0.00 0.00 177.93 179.39 1i6d n GLY 54 N 1.37 -1.84 0.00 5.26 0.00 -1.26 -5.13 105.19 103.58 1i6d n GLY 54 Ca -0.03 -0.42 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 -0.01 -1.67 3.18 -0.02 0.00 -1.26 -5.04 105.19 100.37 1i6d n GLY 55 Ca 0.00 -1.09 -0.17 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 -2.07 1.61 -1.30 1.61 1.11 -1.26 -1.23 116.67 115.13 1i6d s ASP 56 Ca 0.00 -0.71 -0.16 0.00 0.18 0.00 0.00 52.55 51.86 1i6d s ASP 56 Cb 0.00 -0.03 0.09 0.00 1.07 0.00 0.00 42.92 44.05 1i6d s ASP 56 CO 0.00 -0.16 1.75 0.79 1.18 0.00 0.00 175.17 178.74 1i6d n TRP 57 N 0.92 4.51 -1.65 4.23 7.02 0.32 -4.90 117.44 127.89 1i6d n TRP 57 Ca -0.19 -2.96 -0.31 0.00 -1.02 0.00 0.00 57.50 53.03 1i6d n TRP 57 Cb 0.56 -2.51 0.04 0.00 -2.42 0.00 0.00 31.31 26.98 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 3.42 3.99 0.22 -0.99 -4.23 -1.26 -0.80 115.64 115.99 1i6d s THR 58 Ca 0.50 0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 61.63 1i6d s THR 58 Cb 0.04 -3.39 0.19 0.00 1.34 0.00 0.00 72.50 70.68 1i6d s THR 58 CO 0.04 -0.79 1.70 1.55 -0.54 0.00 0.00 174.62 176.57 1i6d h PRO 59 N -0.52 0.26 -0.12 3.99 0.13 -1.99 0.42 132.00 134.18 1i6d h PRO 59 Ca -0.44 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1i6d h PRO 59 Cb 1.21 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 59 CO 0.57 0.17 -0.18 1.05 -0.23 0.00 0.00 178.00 179.38 1i6d h GLU 60 N 0.27 -0.22 -0.57 0.86 4.11 -1.99 -0.84 114.58 116.19 1i6d h GLU 60 Ca 0.35 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 1i6d h GLU 60 Cb 0.55 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1i6d h GLU 60 CO -0.44 -0.15 0.31 0.00 0.07 0.00 0.00 179.01 178.80 1i6d h ALA 61 N 0.79 0.73 -0.19 1.06 0.00 -1.82 -1.85 119.26 117.99 1i6d h ALA 61 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1i6d h ALA 61 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1i6d h ALA 61 CO -0.25 0.26 -0.01 -0.07 0.00 0.00 0.00 179.25 179.17 1i6d h LEU 62 N 0.77 -0.10 -1.07 0.00 3.38 -0.95 -1.10 115.31 116.24 1i6d h LEU 62 Ca 0.20 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1i6d h LEU 62 Cb 0.05 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i6d h LEU 62 CO -0.03 -0.03 -0.07 0.06 0.09 0.00 0.00 178.44 178.46 1i6d h GLN 63 N 0.04 0.57 0.40 1.13 -0.00 -1.11 0.12 115.11 116.26 1i6d h GLN 63 Ca 0.09 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1i6d h GLN 63 Cb 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 1i6d h GLN 63 CO -0.16 0.65 -0.19 0.93 -0.00 0.00 0.00 178.83 180.06 1i6d h GLU 64 N 0.53 -0.52 -0.81 0.06 5.08 -1.34 -1.76 114.58 115.82 1i6d h GLU 64 Ca 0.10 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1i6d h GLU 64 Cb 0.45 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1i6d h GLU 64 CO 0.02 -0.34 0.53 0.35 -1.00 0.00 0.00 179.01 178.57 1i6d h PHE 65 N -0.55 1.00 0.00 4.33 3.57 -1.10 -2.61 116.94 121.57 1i6d h PHE 65 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1i6d h PHE 65 Cb 0.42 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1i6d h PHE 65 CO -0.05 0.60 0.00 1.28 -2.23 0.00 0.00 178.31 177.92 1i6d n LEU 66 N -4.55 0.63 0.21 0.59 4.77 0.40 -1.30 117.00 117.74 1i6d n LEU 66 Ca 0.09 0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 56.59 1i6d n LEU 66 Cb 0.05 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1i6d n LEU 66 CO 0.35 -0.43 0.32 0.74 -1.33 0.00 0.00 177.39 177.04 1i6d h THR 67 N 0.00 0.18 -2.83 -5.08 2.02 -0.95 0.26 112.91 106.51 1i6d h THR 67 Ca 0.00 -0.58 -0.46 0.00 0.77 0.00 0.00 66.41 66.14 1i6d h THR 67 Cb 0.45 0.28 -0.40 0.00 -1.74 0.00 0.00 68.15 66.75 1i6d h THR 67 CO 0.00 0.04 -0.74 0.21 0.37 0.00 0.00 175.52 175.40 1i6d s ASN 68 N -4.88 2.64 0.21 4.18 3.84 -1.06 -4.30 114.94 115.56 1i6d s ASN 68 Ca -0.11 -0.83 -0.03 0.00 0.21 0.00 0.00 52.86 52.10 1i6d s ASN 68 Cb 0.01 -0.16 0.17 0.00 -0.55 0.00 0.00 41.25 40.71 1i6d s ASN 68 CO 0.35 -0.38 1.56 1.55 -2.79 0.00 0.00 177.10 177.39 1i6d h PRO 69 N 8.39 0.59 -0.18 0.43 0.13 -1.40 -3.05 132.00 136.91 1i6d h PRO 69 Ca -0.17 -0.32 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1i6d h PRO 69 Cb 1.09 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 69 CO 0.35 0.92 -0.20 0.87 -0.23 0.00 0.00 178.00 179.71 1i6d h LYS 70 N 0.48 0.32 -0.24 0.86 6.56 -1.87 -1.54 116.57 121.13 1i6d h LYS 70 Ca 0.03 -0.10 -0.08 0.00 -1.06 0.00 0.00 60.65 59.45 1i6d h LYS 70 Cb 0.96 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.59 1i6d h LYS 70 CO 0.09 0.51 -0.15 0.00 -2.06 0.00 0.00 179.45 177.84 1i6d h ALA 71 N 1.51 0.35 0.02 3.86 0.00 -1.97 -3.29 119.26 119.74 1i6d h ALA 71 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1i6d h ALA 71 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i6d h ALA 71 CO 0.03 0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.79 1i6d h VAL 72 N 0.24 1.37 -3.42 0.00 2.07 -1.54 -3.40 116.25 111.57 1i6d h VAL 72 Ca 0.05 -1.28 -0.71 0.00 0.82 0.00 0.00 66.70 65.58 1i6d h VAL 72 Cb 0.67 2.22 -0.31 0.00 -1.52 0.00 0.00 31.29 32.35 1i6d h VAL 72 CO 0.04 0.32 -0.48 -0.69 0.02 0.00 0.00 177.57 176.79 1i6d s VAL 73 N -3.94 3.86 -0.81 2.57 1.01 -0.58 -5.06 120.40 117.44 1i6d s VAL 73 Ca -0.16 -1.74 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 1i6d s VAL 73 Cb 0.01 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1i6d s VAL 73 CO 0.65 -0.64 1.51 -0.75 0.00 0.00 0.00 175.10 175.87 1i6d s LYS 74 N 1.30 3.13 0.00 2.72 2.20 -1.24 -2.25 119.74 125.60 1i6d s LYS 74 Ca 0.05 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1i6d s LYS 74 Cb -0.24 -4.65 0.00 0.00 -1.51 0.00 0.00 37.83 31.43 1i6d s LYS 74 CO -0.01 -2.41 0.00 0.41 -0.36 0.00 0.00 175.35 172.98 1i6d n GLY 75 N 6.03 0.88 3.73 5.54 0.00 -1.26 -4.74 105.19 115.36 1i6d n GLY 75 Ca 0.19 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.21 3.91 -0.51 2.61 -1.32 -0.96 -4.43 115.64 112.73 1i6d s THR 76 Ca 0.00 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.01 1i6d s THR 76 Cb 0.00 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 1i6d s THR 76 CO 0.00 0.21 0.54 2.29 -2.21 0.00 0.00 174.62 175.45 1i6d n LYS 77 N 2.96 0.72 -3.07 7.08 2.85 -1.26 -4.80 118.16 122.65 1i6d n LYS 77 Ca 0.05 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.88 1i6d n LYS 77 Cb 0.46 -1.25 -0.06 0.00 -0.65 0.00 0.00 35.03 33.53 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 -0.37 3.38 -1.36 -1.58 1.75 -1.26 -5.01 119.30 114.85 1i6d s MET 78 Ca 0.00 -0.22 -0.16 0.00 -1.25 0.00 0.00 55.69 54.06 1i6d s MET 78 Cb 0.00 -3.92 0.07 0.00 2.84 0.00 0.00 34.83 33.81 1i6d s MET 78 CO 0.00 -1.00 1.93 0.00 -0.65 0.00 0.00 175.02 175.30 1i6d n ALA 79 N 6.36 4.49 -3.72 4.11 0.00 -1.26 -4.89 120.51 125.60 1i6d n ALA 79 Ca -0.00 -3.91 -0.13 0.00 0.00 0.00 0.00 53.44 49.40 1i6d n ALA 79 Cb 0.48 -3.52 -0.14 0.00 0.00 0.00 0.00 19.45 16.28 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 3.46 -0.30 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.09 1i6d s PHE 80 Ca 0.50 0.73 -0.19 0.00 -0.96 0.00 0.00 56.93 57.01 1i6d s PHE 80 Cb 0.08 -0.01 -0.14 0.00 -0.34 0.00 0.00 43.02 42.60 1i6d s PHE 80 CO 0.00 -0.24 0.77 0.00 -1.46 0.00 0.00 175.22 174.29 1i6d h ALA 81 N 7.43 -0.21 0.00 11.12 0.00 -1.96 -3.42 119.26 132.22 1i6d h ALA 81 Ca -0.36 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1i6d h ALA 81 Cb 1.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1i6d h ALA 81 CO 0.34 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1i6d n GLY 82 N 0.75 2.81 3.34 0.00 0.00 -1.26 -4.39 105.19 106.45 1i6d n GLY 82 Ca -0.07 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.74 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 5.92 0.28 0.99 1.43 0.91 -5.01 118.68 123.20 1i6d s LEU 83 Ca 0.00 -1.76 0.05 0.00 -1.03 0.00 0.00 54.13 51.39 1i6d s LEU 83 Cb 0.00 -2.25 0.41 0.00 0.03 0.00 0.00 46.19 44.38 1i6d s LEU 83 CO 0.00 -0.93 1.68 1.55 0.23 0.00 0.00 176.35 178.88 1i6d h PRO 84 N 8.88 0.32 -6.30 1.29 0.13 -1.87 -3.40 132.00 131.05 1i6d h PRO 84 Ca -0.24 -0.15 -0.55 0.00 -0.87 0.00 0.00 66.00 64.18 1i6d h PRO 84 Cb 1.09 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1i6d h PRO 84 CO 1.04 0.67 0.69 0.15 -0.23 0.00 0.00 178.00 180.32 1i6d s LYS 85 N -4.19 4.36 0.28 0.86 1.02 -1.26 -4.97 119.74 115.84 1i6d s LYS 85 Ca -0.05 1.64 0.02 0.00 0.02 0.00 0.00 55.97 57.60 1i6d s LYS 85 Cb 0.13 -3.56 0.66 0.00 -0.52 0.00 0.00 37.83 34.54 1i6d s LYS 85 CO 0.78 -0.44 1.73 0.97 -0.92 0.00 0.00 175.35 177.47 1i6d h ILE 86 N 5.04 0.59 -0.57 2.17 6.09 -2.00 -2.72 117.51 126.11 1i6d h ILE 86 Ca -0.33 -0.18 0.10 0.00 -1.37 0.00 0.00 64.86 63.08 1i6d h ILE 86 Cb 1.16 0.03 -0.08 0.00 0.47 0.00 0.00 36.82 38.39 1i6d h ILE 86 CO 0.88 0.10 0.12 -0.33 -3.07 0.00 0.00 178.15 175.85 1i6d h GLU 87 N 0.52 0.25 -0.39 2.19 5.08 -1.93 0.10 114.58 120.40 1i6d h GLU 87 Ca 0.53 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 1i6d h GLU 87 Cb 0.90 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1i6d h GLU 87 CO -0.45 0.16 0.21 -0.44 -1.00 0.00 0.00 179.01 177.50 1i6d h ASP 88 N 0.25 0.49 0.38 1.42 5.19 -1.83 -1.46 116.42 120.86 1i6d h ASP 88 Ca 0.30 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1i6d h ASP 88 Cb 0.43 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1i6d h ASP 88 CO -0.38 0.44 -0.18 0.03 -3.12 0.00 0.00 179.24 176.03 1i6d h ARG 89 N 0.50 -0.49 -0.95 3.56 3.08 -1.20 -1.75 114.38 117.13 1i6d h ARG 89 Ca 0.14 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1i6d h ARG 89 Cb 0.06 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1i6d h ARG 89 CO -0.02 -0.31 0.58 0.00 -1.07 0.00 0.00 179.97 179.15 1i6d h ALA 90 N 0.07 1.21 0.11 0.04 0.00 -0.89 -0.03 119.26 119.77 1i6d h ALA 90 Ca -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1i6d h ALA 90 Cb 0.41 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i6d h ALA 90 CO 0.09 0.66 -0.06 -0.91 0.00 0.00 0.00 179.25 179.02 1i6d h ASN 91 N 1.31 -0.15 -0.56 0.00 2.35 -0.62 -1.35 115.58 116.56 1i6d h ASN 91 Ca 0.34 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.14 1i6d h ASN 91 Cb -0.07 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1i6d h ASN 91 CO -0.07 -0.10 0.32 0.25 -1.65 0.00 0.00 177.43 176.18 1i6d h LEU 92 N -0.16 0.50 -0.88 1.61 6.46 -1.26 -2.39 115.31 119.18 1i6d h LEU 92 Ca -0.01 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1i6d h LEU 92 Cb 0.13 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1i6d h LEU 92 CO 0.02 0.34 -0.05 0.40 -0.62 0.00 0.00 178.44 178.53 1i6d h ILE 93 N 0.62 1.25 -0.73 4.05 2.04 -0.99 0.63 117.51 124.38 1i6d h ILE 93 Ca 0.24 -1.07 0.12 0.00 1.00 0.00 0.00 64.86 65.14 1i6d h ILE 93 Cb 0.08 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1i6d h ILE 93 CO -0.13 0.37 0.33 0.00 0.00 0.00 0.00 178.15 178.72 1i6d h ALA 94 N 1.23 1.02 -0.52 1.87 0.00 -1.21 0.10 119.26 121.74 1i6d h ALA 94 Ca 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1i6d h ALA 94 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1i6d h ALA 94 CO 0.03 -0.13 0.24 -0.92 0.00 0.00 0.00 179.25 178.46 1i6d h TYR 95 N 0.52 0.76 -0.64 0.00 3.20 -0.88 -1.98 116.97 117.95 1i6d h TYR 95 Ca 0.38 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.22 1i6d h TYR 95 Cb 0.50 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1i6d h TYR 95 CO -0.13 0.61 0.43 -0.07 -1.64 0.00 0.00 178.16 177.35 1i6d h LEU 96 N 0.69 0.73 -1.00 2.82 3.38 -0.75 -1.15 115.31 120.03 1i6d h LEU 96 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1i6d h LEU 96 Cb 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1i6d h LEU 96 CO -0.02 0.52 0.31 -0.33 0.09 0.00 0.00 178.44 179.01 1i6d h GLU 97 N 0.86 1.02 0.00 1.13 5.08 -0.92 -2.55 114.58 119.21 1i6d h GLU 97 Ca 0.24 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1i6d h GLU 97 Cb -0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1i6d h GLU 97 CO -0.05 0.81 0.00 0.41 -1.00 0.00 0.00 179.01 179.18 1i6d n GLY 98 N -1.02 -0.84 2.44 -3.84 0.00 -0.75 -4.19 105.19 96.99 1i6d n GLY 98 Ca 0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1i6d n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i6d n GLN 99 N -1.21 2.08 0.00 1.61 1.13 -0.46 -5.07 117.38 115.46 1i6d n GLN 99 Ca 0.11 -4.37 0.00 0.00 -1.94 0.00 0.00 57.00 50.80 1i6d n GLN 99 Cb 0.13 -2.07 0.00 0.00 0.11 0.00 0.00 30.24 28.41 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56