#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 -0.24 -0.30 -5.12 0.00 -1.26 -4.54 121.76 110.30 1i6d s ALA 2 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1i6d s ALA 2 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1i6d s ALA 2 CO 0.00 -1.63 0.17 0.34 0.00 0.00 0.00 175.76 174.64 1i6d s ASP 3 N 2.31 5.75 0.42 0.00 -1.08 -1.26 -4.84 116.67 117.97 1i6d s ASP 3 Ca 0.09 -0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.05 1i6d s ASP 3 Cb -0.15 -2.06 0.82 0.00 -1.46 0.00 0.00 42.92 40.08 1i6d s ASP 3 CO -0.31 -0.14 1.79 1.55 0.52 0.00 0.00 175.17 178.58 1i6d h PRO 4 N 8.37 0.00 -0.20 4.34 0.13 -1.86 -1.16 132.00 141.62 1i6d h PRO 4 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1i6d h PRO 4 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1i6d h PRO 4 CO 0.59 0.25 0.06 0.00 -0.23 0.00 0.00 178.00 178.68 1i6d h ALA 5 N 1.75 0.26 -0.87 -0.56 0.00 -1.96 -0.22 119.26 117.66 1i6d h ALA 5 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1i6d h ALA 5 Cb 0.81 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1i6d h ALA 5 CO 0.03 -0.11 0.55 0.00 0.00 0.00 0.00 179.25 179.72 1i6d h ALA 6 N 0.88 1.18 -0.95 0.00 0.00 -1.92 -3.14 119.26 115.30 1i6d h ALA 6 Ca 0.06 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1i6d h ALA 6 Cb 0.24 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1i6d h ALA 6 CO -0.00 0.34 0.57 0.78 0.00 0.00 0.00 179.25 180.95 1i6d h GLY 7 N 1.03 1.58 0.64 0.00 0.00 -1.09 -1.73 103.07 103.51 1i6d h GLY 7 Ca 0.37 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1i6d h GLY 7 CO -0.15 0.08 0.45 -2.09 0.00 0.00 0.00 176.54 174.84 1i6d h GLU 8 N 0.86 0.78 -0.31 4.80 4.22 -0.99 0.89 114.58 124.83 1i6d h GLU 8 Ca 0.49 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.87 1i6d h GLU 8 Cb 0.57 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1i6d h GLU 8 CO -0.30 0.52 0.13 0.87 -2.18 0.00 0.00 179.01 178.05 1i6d h LYS 9 N 0.81 0.46 -0.83 1.92 1.57 -1.45 -3.05 116.57 116.00 1i6d h LYS 9 Ca 0.35 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1i6d h LYS 9 Cb 0.24 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1i6d h LYS 9 CO -0.20 0.46 0.53 0.28 -0.57 0.00 0.00 179.45 179.95 1i6d h VAL 10 N 0.35 1.14 0.00 0.50 2.07 -1.23 -2.51 116.25 116.57 1i6d h VAL 10 Ca 0.10 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1i6d h VAL 10 Cb 0.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1i6d h VAL 10 CO -0.01 0.19 0.16 0.15 0.02 0.00 0.00 177.57 178.09 1i6d h PHE 11 N 1.04 0.00 -1.11 1.57 3.04 -0.81 -2.27 116.94 118.40 1i6d h PHE 11 Ca 0.33 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.62 1i6d h PHE 11 Cb -0.00 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 38.38 1i6d h PHE 11 CO -0.02 0.00 0.68 0.78 -2.02 0.00 0.00 178.31 177.73 1i6d h GLY 12 N 0.00 1.63 2.00 2.40 0.00 -1.33 -0.26 103.07 107.50 1i6d h GLY 12 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1i6d h GLY 12 CO 0.00 -0.37 -0.18 0.50 0.00 0.00 0.00 176.54 176.49 1i6d h LYS 13 N 0.27 0.00 0.11 4.80 1.57 -1.61 -3.36 116.57 118.35 1i6d h LYS 13 Ca 0.72 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 59.14 1i6d h LYS 13 Cb 1.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 1i6d h LYS 13 CO -0.47 0.18 -2.00 0.00 -0.57 0.00 0.00 179.45 176.58 1i6d h LYS 15 N 0.06 0.02 -0.71 0.00 2.10 -1.25 -1.43 116.57 115.36 1i6d h LYS 15 Ca -0.42 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.26 1i6d h LYS 15 Cb 2.03 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.32 1i6d h LYS 15 CO 0.08 0.01 0.47 0.00 -2.00 0.00 0.00 179.45 178.01 1i6d h ALA 16 N 1.77 1.59 0.07 0.07 0.00 -1.84 -3.32 119.26 117.61 1i6d h ALA 16 Ca 0.22 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.72 1i6d h ALA 16 Cb 0.84 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1i6d h ALA 16 CO -0.01 0.34 -2.19 0.00 0.00 0.00 0.00 179.25 177.39 1i6d s HIS 18 N -2.54 2.90 0.09 0.00 3.76 -0.58 -1.36 115.29 117.56 1i6d s HIS 18 Ca -0.27 -0.48 -0.16 0.00 -0.15 0.00 0.00 55.06 54.00 1i6d s HIS 18 Cb 0.08 -1.89 -0.07 0.00 1.11 0.00 0.00 32.58 31.81 1i6d s HIS 18 CO 0.70 -0.12 0.53 0.15 -0.85 0.00 0.00 174.74 175.15 1i6d s LYS 19 N 0.32 4.05 0.29 1.40 1.02 -1.26 -4.22 119.74 121.34 1i6d s LYS 19 Ca -0.08 0.57 0.21 0.00 0.02 0.00 0.00 55.97 56.69 1i6d s LYS 19 Cb -0.15 -3.12 0.12 0.00 -0.52 0.00 0.00 37.83 34.16 1i6d s LYS 19 CO 0.04 0.59 1.29 -0.07 -0.92 0.00 0.00 175.35 176.28 1i6d h LEU 20 N 4.19 0.00 -4.27 3.17 3.38 -1.94 -2.35 115.31 117.49 1i6d h LEU 20 Ca -0.50 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.16 1i6d h LEU 20 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1i6d h LEU 20 CO 0.64 0.15 0.72 0.47 0.09 0.00 0.00 178.44 180.50 1i6d n ASP 21 N -2.94 6.13 -1.50 -0.43 8.00 -1.26 -4.42 116.55 120.12 1i6d n ASP 21 Ca 0.01 -2.50 -0.10 0.00 0.71 0.00 0.00 54.79 52.91 1i6d n ASP 21 Cb 0.61 -1.45 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 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 2.78 0.69 2.81 0.44 0.00 -1.26 -4.96 105.19 105.70 1i6d n GLY 22 Ca 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.88 0.02 0.70 1.61 0.01 -1.26 -5.00 114.94 109.14 1i6d s ASN 23 Ca 0.00 0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 52.14 1i6d s ASN 23 Cb 0.00 -0.00 0.01 0.00 0.41 0.00 0.00 41.25 41.67 1i6d s ASN 23 CO 0.00 -0.13 1.06 1.51 -1.51 0.00 0.00 177.10 178.04 1i6d s ASP 24 N 1.02 5.39 0.00 -1.22 -4.77 -1.26 -4.46 116.67 111.37 1i6d s ASP 24 Ca -0.08 1.53 0.00 0.00 -3.30 0.00 0.00 52.55 50.70 1i6d s ASP 24 Cb -0.12 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1i6d s ASP 24 CO -0.03 -1.43 0.00 0.61 0.70 0.00 0.00 175.17 175.02 1i6d n GLY 25 N -2.15 1.18 0.08 2.12 0.00 -1.26 -4.96 105.19 100.20 1i6d n GLY 25 Ca 0.07 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 1.31 -1.65 1.61 2.07 -1.92 -3.46 116.25 114.22 1i6d h VAL 26 Ca 0.00 -1.34 -0.48 0.00 0.82 0.00 0.00 66.70 65.70 1i6d h VAL 26 Cb 0.00 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1i6d h VAL 26 CO 0.00 0.33 -0.38 -0.83 0.02 0.00 0.00 177.57 176.71 1i6d s GLY 27 N -3.38 1.93 0.27 2.17 0.00 -0.46 -5.01 107.32 102.85 1i6d s GLY 27 Ca -0.16 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.54 1i6d s GLY 27 CO 0.62 -1.59 1.16 2.56 0.00 0.00 0.00 173.10 175.85 1i6d s PRO 28 N -4.12 4.55 -0.10 2.90 0.04 -1.26 -4.62 135.00 132.39 1i6d s PRO 28 Ca 0.46 1.91 -0.36 0.00 0.04 0.00 0.00 61.00 63.05 1i6d s PRO 28 Cb -0.06 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.18 1i6d s PRO 28 CO 0.29 0.07 1.77 -2.39 0.04 0.00 0.00 177.00 176.78 1i6d n HIS 29 N 1.34 2.20 1.69 0.56 1.44 -1.26 -4.75 115.22 116.44 1i6d n HIS 29 Ca 0.00 0.22 0.15 0.00 -2.01 0.00 0.00 57.72 56.08 1i6d n HIS 29 Cb 0.44 -2.57 0.80 0.00 0.12 0.00 0.00 29.99 28.78 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 5.65 0.19 -4.67 2.39 4.77 -0.88 -4.66 117.00 119.78 1i6d n LEU 30 Ca 0.23 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1i6d n LEU 30 Cb 0.24 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1i6d n LEU 30 CO 0.73 0.03 1.18 0.21 -1.33 0.00 0.00 177.39 178.22 1i6d s ASN 31 N -2.25 6.84 -0.41 -1.43 2.47 -1.26 -3.52 114.94 115.37 1i6d s ASN 31 Ca 0.38 1.99 -0.00 0.00 0.42 0.00 0.00 52.86 55.65 1i6d s ASN 31 Cb 0.21 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1i6d s ASN 31 CO 0.41 -0.79 0.04 0.61 -3.72 0.00 0.00 177.10 173.65 1i6d n GLY 32 N 3.77 0.23 0.07 1.21 0.00 0.15 -4.90 105.19 105.73 1i6d n GLY 32 Ca 0.15 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.10 1.22 -3.13 1.61 3.04 -1.81 -3.41 116.25 113.68 1i6d h VAL 33 Ca -0.12 -3.01 -0.57 0.00 -1.01 0.00 0.00 66.70 61.99 1i6d h VAL 33 Cb 1.09 2.60 -0.05 0.00 -2.01 0.00 0.00 31.29 32.92 1i6d h VAL 33 CO 0.14 0.70 1.04 -0.69 -1.01 0.00 0.00 177.57 177.75 1i6d s VAL 34 N -2.65 3.96 0.00 1.51 1.01 -1.26 -1.47 120.40 121.50 1i6d s VAL 34 Ca -0.02 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1i6d s VAL 34 Cb 0.09 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1i6d s VAL 34 CO 0.82 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1i6d n GLY 35 N 4.70 1.16 3.83 4.51 0.00 0.19 -4.99 105.19 114.60 1i6d n GLY 35 Ca 0.16 0.00 -0.34 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 -0.58 4.12 0.48 1.61 3.52 -0.54 -4.48 118.95 123.08 1i6d s ARG 36 Ca 0.00 0.81 -0.24 0.00 -0.13 0.00 0.00 55.73 56.17 1i6d s ARG 36 Cb 0.00 -2.50 -0.07 0.00 -1.56 0.00 0.00 34.95 30.82 1i6d s ARG 36 CO 0.00 0.18 1.42 0.99 -0.81 0.00 0.00 175.30 177.09 1i6d s THR 37 N -1.90 2.00 -0.18 4.11 2.01 -1.26 -0.40 115.64 120.02 1i6d s THR 37 Ca 0.53 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 1i6d s THR 37 Cb -0.12 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1i6d s THR 37 CO 0.18 0.00 1.47 -0.69 -0.69 0.00 0.00 174.62 174.89 1i6d s VAL 38 N -1.22 3.92 -0.75 3.82 1.01 -0.33 -1.92 120.40 124.92 1i6d s VAL 38 Ca 0.64 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 1i6d s VAL 38 Cb -0.44 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1i6d s VAL 38 CO 0.55 -0.23 0.66 0.00 0.00 0.00 0.00 175.10 176.08 1i6d n ALA 39 N 7.50 -1.98 -2.97 5.51 0.00 -1.26 -4.74 120.51 122.56 1i6d n ALA 39 Ca 0.16 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 1i6d n ALA 39 Cb 0.45 -4.14 -0.02 0.00 0.00 0.00 0.00 19.45 15.73 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 -1.32 4.31 2.63 0.00 0.00 -0.81 -4.98 105.19 105.02 1i6d n GLY 40 Ca -0.05 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.53 -0.10 -0.51 1.61 1.01 -1.26 -4.76 120.40 112.86 1i6d s VAL 41 Ca 0.42 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 1i6d s VAL 41 Cb 0.34 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 1i6d s VAL 41 CO -0.10 -0.13 1.73 1.51 0.00 0.00 0.00 175.10 178.11 1i6d s ASP 42 N 2.15 5.67 0.00 3.32 -4.77 -1.26 -2.66 116.67 119.12 1i6d s ASP 42 Ca 0.03 0.63 0.00 0.00 -3.30 0.00 0.00 52.55 49.91 1i6d s ASP 42 Cb -0.15 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1i6d s ASP 42 CO -0.07 -2.01 0.00 0.61 0.70 0.00 0.00 175.17 174.40 1i6d n GLY 43 N 5.50 1.43 3.53 2.12 0.00 -1.26 -5.08 105.19 111.43 1i6d n GLY 43 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.93 2.89 -0.90 1.61 5.36 -1.09 -4.93 117.98 119.99 1i6d s PHE 44 Ca 0.00 -0.14 -0.24 0.00 -0.96 0.00 0.00 56.93 55.60 1i6d s PHE 44 Cb 0.00 -1.75 0.05 0.00 -0.34 0.00 0.00 43.02 40.99 1i6d s PHE 44 CO 0.00 0.19 1.32 1.21 -1.46 0.00 0.00 175.22 176.48 1i6d s ASN 45 N -0.49 6.38 0.43 6.13 2.47 -1.26 -4.94 114.94 123.67 1i6d s ASN 45 Ca 0.07 -1.18 -0.21 0.00 0.42 0.00 0.00 52.86 51.96 1i6d s ASN 45 Cb -0.12 -2.54 -0.10 0.00 -1.45 0.00 0.00 41.25 37.04 1i6d s ASN 45 CO 0.02 -1.55 0.97 -0.31 -3.72 0.00 0.00 177.10 172.51 1i6d s TYR 46 N 4.87 3.29 0.52 0.43 2.02 -1.26 -5.07 117.35 122.15 1i6d s TYR 46 Ca 0.39 1.62 -0.21 0.00 -0.37 0.00 0.00 57.07 58.50 1i6d s TYR 46 Cb -0.04 -2.91 -0.06 0.00 -0.40 0.00 0.00 41.96 38.55 1i6d s TYR 46 CO -0.01 -0.23 1.19 -1.12 -1.57 0.00 0.00 175.55 173.81 1i6d s SER 47 N -2.07 5.75 0.23 2.29 0.01 -1.26 -4.90 113.70 113.74 1i6d s SER 47 Ca 0.62 2.35 -0.07 0.00 1.31 0.00 0.00 55.95 60.15 1i6d s SER 47 Cb -0.12 -2.60 0.29 0.00 0.21 0.00 0.00 66.02 63.81 1i6d s SER 47 CO 0.16 -1.21 1.82 0.44 0.41 0.00 0.00 173.24 174.86 1i6d h ASP 48 N 1.52 0.67 -0.07 2.44 5.19 -1.98 -2.21 116.42 121.99 1i6d h ASP 48 Ca -0.50 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 55.96 1i6d h ASP 48 Cb 1.27 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 1i6d h ASP 48 CO 0.58 0.42 0.05 -0.65 -3.12 0.00 0.00 179.24 176.52 1i6d h PRO 49 N 0.80 0.00 -0.27 3.56 0.11 -1.85 -0.06 132.00 134.29 1i6d h PRO 49 Ca 0.34 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.36 1i6d h PRO 49 Cb 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1i6d h PRO 49 CO -0.19 0.00 -0.18 1.98 -0.21 0.00 0.00 178.00 179.40 1i6d h MET 50 N 0.00 0.61 -0.32 1.05 4.05 -1.75 -3.03 114.93 115.53 1i6d h MET 50 Ca 0.03 -0.29 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 1i6d h MET 50 Cb 0.13 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1i6d h MET 50 CO -0.00 0.87 0.11 0.87 0.23 0.00 0.00 176.91 178.99 1i6d h LYS 51 N 0.34 0.49 -0.95 0.39 1.57 -1.07 -3.03 116.57 114.31 1i6d h LYS 51 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i6d h LYS 51 Cb 0.71 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1i6d h LYS 51 CO 0.05 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 1i6d n ALA 52 N -2.29 2.53 -0.02 3.86 0.00 -0.06 -4.47 120.51 120.06 1i6d n ALA 52 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1i6d n ALA 52 Cb 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 0.09 -0.07 -2.01 0.00 6.17 -1.40 -3.49 115.15 114.44 1i6d h HIS 53 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1i6d h HIS 53 Cb 0.51 0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.46 1i6d h HIS 53 CO 0.02 -0.04 0.00 0.41 0.71 0.00 0.00 177.93 179.03 1i6d n GLY 54 N 1.60 -1.96 0.00 5.26 0.00 -1.26 -5.14 105.19 103.69 1i6d n GLY 54 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1i6d n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6d n GLY 55 N 0.04 -1.47 3.16 -0.02 0.00 -1.26 -5.04 105.19 100.59 1i6d n GLY 55 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.33 1.47 -1.30 1.61 1.01 -1.26 -1.19 116.67 114.68 1i6d s ASP 56 Ca 0.00 -0.69 -0.17 0.00 0.71 0.00 0.00 52.55 52.40 1i6d s ASP 56 Cb 0.00 -0.01 0.09 0.00 1.01 0.00 0.00 42.92 44.00 1i6d s ASP 56 CO 0.00 -0.17 1.73 0.79 0.21 0.00 0.00 175.17 177.72 1i6d n TRP 57 N 1.00 4.60 -1.77 4.23 7.02 0.46 -4.87 117.44 128.11 1i6d n TRP 57 Ca -0.19 -2.95 -0.31 0.00 -1.02 0.00 0.00 57.50 53.03 1i6d n TRP 57 Cb 0.56 -2.54 0.03 0.00 -2.42 0.00 0.00 31.31 26.94 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 3.57 4.18 0.21 -0.99 -4.23 -1.26 -0.64 115.64 116.48 1i6d s THR 58 Ca 0.51 0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 61.69 1i6d s THR 58 Cb 0.04 -3.52 0.18 0.00 1.34 0.00 0.00 72.50 70.53 1i6d s THR 58 CO 0.05 -0.86 1.68 1.55 -0.54 0.00 0.00 174.62 176.50 1i6d h PRO 59 N -0.33 0.15 -0.22 3.99 0.13 -1.98 0.14 132.00 133.88 1i6d h PRO 59 Ca -0.44 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1i6d h PRO 59 Cb 1.21 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 59 CO 0.58 0.10 -0.18 1.05 -0.23 0.00 0.00 178.00 179.33 1i6d h GLU 60 N 0.16 -0.17 -0.48 0.86 4.11 -1.99 -1.06 114.58 116.00 1i6d h GLU 60 Ca 0.31 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.74 1i6d h GLU 60 Cb 0.50 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1i6d h GLU 60 CO -0.48 -0.11 0.24 0.00 0.07 0.00 0.00 179.01 178.72 1i6d h ALA 61 N 0.94 0.62 -0.22 1.06 0.00 -1.82 -1.98 119.26 117.86 1i6d h ALA 61 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1i6d h ALA 61 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1i6d h ALA 61 CO -0.33 0.17 0.05 -0.07 0.00 0.00 0.00 179.25 179.08 1i6d h LEU 62 N 0.63 0.04 -1.09 0.00 3.38 -1.00 -1.18 115.31 116.08 1i6d h LEU 62 Ca 0.17 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1i6d h LEU 62 Cb 0.11 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i6d h LEU 62 CO -0.02 0.05 -0.05 0.06 0.09 0.00 0.00 178.44 178.57 1i6d h GLN 63 N 0.14 0.59 0.57 1.13 -0.00 -1.18 0.11 115.11 116.47 1i6d h GLN 63 Ca 0.10 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1i6d h GLN 63 Cb 0.08 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1i6d h GLN 63 CO -0.12 0.64 -0.32 0.93 -0.00 0.00 0.00 178.83 179.96 1i6d h GLU 64 N 0.55 -0.81 -0.67 0.06 5.08 -1.35 -2.10 114.58 115.34 1i6d h GLU 64 Ca 0.11 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1i6d h GLU 64 Cb 0.42 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1i6d h GLU 64 CO 0.02 -0.54 0.38 0.35 -1.00 0.00 0.00 179.01 178.22 1i6d h PHE 65 N -0.84 0.69 0.00 4.33 3.57 -1.12 -2.54 116.94 121.02 1i6d h PHE 65 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6d h PHE 65 Cb 0.67 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1i6d h PHE 65 CO -0.07 0.34 0.00 1.28 -2.23 0.00 0.00 178.31 177.62 1i6d n LEU 66 N -4.78 0.33 0.17 0.59 4.77 0.36 -1.33 117.00 117.11 1i6d n LEU 66 Ca 0.08 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1i6d n LEU 66 Cb 0.17 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1i6d n LEU 66 CO 0.29 -0.34 0.46 0.74 -1.33 0.00 0.00 177.39 177.22 1i6d h THR 67 N 0.00 0.54 -2.39 -5.08 2.02 -0.94 0.19 112.91 107.25 1i6d h THR 67 Ca 0.00 -0.64 -0.32 0.00 0.77 0.00 0.00 66.41 66.21 1i6d h THR 67 Cb 0.37 0.81 -0.35 0.00 -1.74 0.00 0.00 68.15 67.24 1i6d h THR 67 CO 0.00 0.10 -0.63 0.21 0.37 0.00 0.00 175.52 175.58 1i6d s ASN 68 N -5.04 1.51 0.13 4.18 3.84 -1.16 -4.20 114.94 114.21 1i6d s ASN 68 Ca -0.13 -0.40 -0.10 0.00 0.21 0.00 0.00 52.86 52.43 1i6d s ASN 68 Cb 0.02 0.42 -0.06 0.00 -0.55 0.00 0.00 41.25 41.08 1i6d s ASN 68 CO 0.48 -0.35 1.40 1.55 -2.79 0.00 0.00 177.10 177.40 1i6d h PRO 69 N 8.30 0.81 0.00 0.43 0.13 -1.41 -2.78 132.00 137.48 1i6d h PRO 69 Ca -0.16 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1i6d h PRO 69 Cb 1.12 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1i6d h PRO 69 CO 0.31 1.17 0.00 0.87 -0.23 0.00 0.00 178.00 180.11 1i6d h LYS 70 N 0.61 0.00 -0.03 0.86 1.57 -1.85 -1.27 116.57 116.45 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1i6d h LYS 70 CO 0.13 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.73 1i6d h ALA 71 N 2.02 0.08 0.09 3.86 0.00 -1.95 -3.33 119.26 120.02 1i6d h ALA 71 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1i6d h ALA 71 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i6d h ALA 71 CO 0.00 0.12 -0.04 0.28 0.00 0.00 0.00 179.25 179.61 1i6d h VAL 72 N -0.33 1.13 -3.39 0.00 2.07 -1.48 -3.38 116.25 110.86 1i6d h VAL 72 Ca -0.03 -0.87 -0.73 0.00 0.82 0.00 0.00 66.70 65.90 1i6d h VAL 72 Cb 0.97 1.68 -0.30 0.00 -1.52 0.00 0.00 31.29 32.12 1i6d h VAL 72 CO 0.06 0.21 -0.35 -0.69 0.02 0.00 0.00 177.57 176.82 1i6d s VAL 73 N -4.52 4.22 -0.61 2.57 1.01 -0.48 -5.06 120.40 117.53 1i6d s VAL 73 Ca -0.15 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 59.53 1i6d s VAL 73 Cb 0.02 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1i6d s VAL 73 CO 0.63 -0.81 1.54 -0.75 0.00 0.00 0.00 175.10 175.71 1i6d s LYS 74 N 1.04 3.07 0.00 2.72 2.20 -1.25 -2.37 119.74 125.15 1i6d s LYS 74 Ca 0.09 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1i6d s LYS 74 Cb -0.24 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 1i6d s LYS 74 CO -0.02 -2.23 0.00 0.41 -0.36 0.00 0.00 175.35 173.15 1i6d n GLY 75 N 5.43 1.31 3.77 5.54 0.00 -1.26 -4.75 105.19 115.23 1i6d n GLY 75 Ca 0.13 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.12 3.87 -2.00 2.61 -1.32 -1.00 -4.53 115.64 111.16 1i6d s THR 76 Ca 0.00 1.60 0.09 0.00 -1.21 0.00 0.00 61.69 62.17 1i6d s THR 76 Cb 0.00 -3.91 0.25 0.00 -1.51 0.00 0.00 72.50 67.32 1i6d s THR 76 CO 0.00 0.18 1.09 2.29 -2.21 0.00 0.00 174.62 175.96 1i6d n LYS 77 N 0.56 0.70 -2.46 7.08 2.85 -1.26 -4.81 118.16 120.81 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 0.48 -1.19 -0.02 0.00 -0.65 0.00 0.00 35.03 33.65 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 3.58 -1.32 -1.58 1.75 -1.26 -4.97 119.30 113.50 1i6d s MET 78 Ca 0.13 0.69 -0.17 0.00 -1.25 0.00 0.00 55.69 55.09 1i6d s MET 78 Cb 0.06 -4.00 0.08 0.00 2.84 0.00 0.00 34.83 33.81 1i6d s MET 78 CO 0.10 -1.57 1.81 0.00 -0.65 0.00 0.00 175.02 174.71 1i6d n ALA 79 N 8.56 3.99 -3.73 4.11 0.00 -1.26 -4.80 120.51 127.38 1i6d n ALA 79 Ca 0.14 -3.90 -0.13 0.00 0.00 0.00 0.00 53.44 49.55 1i6d n ALA 79 Cb 0.49 -3.54 -0.14 0.00 0.00 0.00 0.00 19.45 16.26 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 3.73 -0.25 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.40 1i6d s PHE 80 Ca 0.51 0.65 -0.16 0.00 -0.96 0.00 0.00 56.93 56.97 1i6d s PHE 80 Cb 0.05 -0.04 -0.11 0.00 -0.34 0.00 0.00 43.02 42.58 1i6d s PHE 80 CO 0.04 -0.22 0.65 0.00 -1.46 0.00 0.00 175.22 174.23 1i6d h ALA 81 N 7.39 -0.28 0.00 11.12 0.00 -1.95 -3.41 119.26 132.13 1i6d h ALA 81 Ca -0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1i6d h ALA 81 Cb 1.14 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6d h ALA 81 CO 0.36 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1i6d n GLY 82 N 0.77 2.78 3.32 0.00 0.00 -1.26 -4.38 105.19 106.42 1i6d n GLY 82 Ca -0.06 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 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 6.13 0.21 0.99 1.43 0.67 -5.00 118.68 123.11 1i6d s LEU 83 Ca 0.00 -1.84 -0.02 0.00 -1.03 0.00 0.00 54.13 51.24 1i6d s LEU 83 Cb 0.00 -2.22 0.19 0.00 0.03 0.00 0.00 46.19 44.19 1i6d s LEU 83 CO 0.00 -0.87 1.57 1.55 0.23 0.00 0.00 176.35 178.83 1i6d h PRO 84 N 8.82 0.56 -6.50 1.29 0.13 -1.87 -3.40 132.00 131.02 1i6d h PRO 84 Ca -0.25 -0.30 -0.53 0.00 -0.87 0.00 0.00 66.00 64.04 1i6d h PRO 84 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 84 CO 1.02 0.89 0.54 0.15 -0.23 0.00 0.00 178.00 180.37 1i6d s LYS 85 N -4.19 4.46 0.26 0.86 1.02 -1.26 -4.99 119.74 115.91 1i6d s LYS 85 Ca -0.07 1.74 -0.02 0.00 0.02 0.00 0.00 55.97 57.64 1i6d s LYS 85 Cb 0.12 -3.34 0.52 0.00 -0.52 0.00 0.00 37.83 34.61 1i6d s LYS 85 CO 0.83 -0.20 1.74 0.97 -0.92 0.00 0.00 175.35 177.77 1i6d h ILE 86 N 4.41 0.68 -0.45 2.17 6.09 -2.01 -3.05 117.51 125.35 1i6d h ILE 86 Ca -0.42 -0.18 0.08 0.00 -1.37 0.00 0.00 64.86 62.97 1i6d h ILE 86 Cb 1.21 0.10 -0.07 0.00 0.47 0.00 0.00 36.82 38.53 1i6d h ILE 86 CO 0.79 0.10 0.05 -0.33 -3.07 0.00 0.00 178.15 175.69 1i6d h GLU 87 N 0.54 0.16 -0.82 2.19 4.39 -1.94 0.12 114.58 119.22 1i6d h GLU 87 Ca 0.45 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.22 1i6d h GLU 87 Cb 0.68 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 1i6d h GLU 87 CO -0.39 0.11 0.49 -0.44 -1.16 0.00 0.00 179.01 177.62 1i6d h ASP 88 N 0.17 0.75 0.35 1.42 3.32 -1.93 0.38 116.42 120.87 1i6d h ASP 88 Ca 0.22 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1i6d h ASP 88 Cb 0.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1i6d h ASP 88 CO -0.33 0.46 -0.17 0.03 -1.72 0.00 0.00 179.24 177.51 1i6d h ARG 89 N 0.88 -0.45 -0.47 3.56 3.08 -1.42 -2.58 114.38 116.98 1i6d h ARG 89 Ca 0.37 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.50 1i6d h ARG 89 Cb 0.24 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1i6d h ARG 89 CO -0.20 -0.15 0.23 0.00 -1.07 0.00 0.00 179.97 178.78 1i6d h ALA 90 N -0.23 0.59 -0.27 0.04 0.00 -0.75 -0.66 119.26 117.97 1i6d h ALA 90 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1i6d h ALA 90 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1i6d h ALA 90 CO 0.08 -0.13 0.12 -0.91 0.00 0.00 0.00 179.25 178.41 1i6d h ASN 91 N 0.45 0.18 -0.62 0.00 2.35 -1.04 -1.22 115.58 115.67 1i6d h ASN 91 Ca 0.21 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1i6d h ASN 91 Cb 0.13 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1i6d h ASN 91 CO -0.16 0.14 0.37 0.25 -1.65 0.00 0.00 177.43 176.38 1i6d h LEU 92 N 0.27 0.60 -1.07 1.61 6.46 -1.39 -2.41 115.31 119.37 1i6d h LEU 92 Ca 0.11 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 1i6d h LEU 92 Cb 0.05 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1i6d h LEU 92 CO -0.09 0.41 -0.38 0.40 -0.62 0.00 0.00 178.44 178.16 1i6d h ILE 93 N 0.73 1.29 -0.49 4.05 2.04 -0.98 0.63 117.51 124.78 1i6d h ILE 93 Ca 0.26 -1.41 0.05 0.00 1.00 0.00 0.00 64.86 64.76 1i6d h ILE 93 Cb 0.05 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1i6d h ILE 93 CO -0.12 0.42 0.21 0.00 0.00 0.00 0.00 178.15 178.66 1i6d h ALA 94 N 1.48 0.61 -0.46 1.87 0.00 -1.20 -2.24 119.26 119.31 1i6d h ALA 94 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1i6d h ALA 94 Cb 0.74 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1i6d h ALA 94 CO 0.06 -0.16 0.25 -0.92 0.00 0.00 0.00 179.25 178.48 1i6d h TYR 95 N 0.42 0.63 -0.96 0.00 3.20 -0.88 -1.91 116.97 117.48 1i6d h TYR 95 Ca 0.22 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1i6d h TYR 95 Cb 0.18 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1i6d h TYR 95 CO -0.13 0.48 0.62 -0.07 -1.64 0.00 0.00 178.16 177.42 1i6d h LEU 96 N 0.61 1.00 -0.64 2.82 3.38 -0.94 -1.55 115.31 119.98 1i6d h LEU 96 Ca 0.16 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1i6d h LEU 96 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1i6d h LEU 96 CO -0.03 0.65 0.42 -0.33 0.09 0.00 0.00 178.44 179.24 1i6d h GLU 97 N 1.14 0.82 0.00 1.13 5.08 -1.35 -2.69 114.58 118.71 1i6d h GLU 97 Ca 0.40 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1i6d h GLU 97 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1i6d h GLU 97 CO -0.16 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 1i6d n GLY 98 N -1.28 -0.64 2.73 -3.84 0.00 -0.72 -4.19 105.19 97.25 1i6d n GLY 98 Ca 0.05 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.74 1.34 0.00 1.61 1.13 -0.61 -5.05 117.38 115.06 1i6d n GLN 99 Ca 0.07 -4.08 0.12 0.00 -1.94 0.00 0.00 57.00 51.17 1i6d n GLN 99 Cb 0.03 -2.09 0.16 0.00 0.11 0.00 0.00 30.24 28.45 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56