#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 4.04 -3.14 -5.12 0.00 -1.26 -2.14 120.51 112.90 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 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.20 5.12 0.45 0.00 -1.08 -1.26 -4.86 116.67 112.83 1i6d s ASP 3 Ca 0.37 -0.54 0.25 0.00 -0.52 0.00 0.00 52.55 52.10 1i6d s ASP 3 Cb 0.10 -1.90 0.88 0.00 -1.46 0.00 0.00 42.92 40.55 1i6d s ASP 3 CO -0.03 -0.14 1.80 1.55 0.52 0.00 0.00 175.17 178.87 1i6d h PRO 4 N 8.24 0.00 -0.10 4.34 0.13 -1.85 -0.65 132.00 142.11 1i6d h PRO 4 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1i6d h PRO 4 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1i6d h PRO 4 CO 0.60 0.19 0.03 0.00 -0.23 0.00 0.00 178.00 178.59 1i6d h ALA 5 N 1.81 0.13 -0.71 -0.56 0.00 -1.96 -0.38 119.26 117.60 1i6d h ALA 5 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1i6d h ALA 5 Cb 0.78 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1i6d h ALA 5 CO 0.02 -0.26 0.47 0.00 0.00 0.00 0.00 179.25 179.49 1i6d h ALA 6 N 0.85 1.50 -0.95 0.00 0.00 -1.92 -3.14 119.26 115.61 1i6d h ALA 6 Ca 0.03 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1i6d h ALA 6 Cb 0.21 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 1i6d h ALA 6 CO -0.00 0.46 0.59 0.78 0.00 0.00 0.00 179.25 181.08 1i6d h GLY 7 N 0.95 1.50 0.55 0.00 0.00 -0.99 -1.64 103.07 103.45 1i6d h GLY 7 Ca 0.26 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.28 1i6d h GLY 7 CO -0.06 0.20 0.55 -2.09 0.00 0.00 0.00 176.54 175.14 1i6d h GLU 8 N 0.99 0.89 -0.16 4.80 4.57 -1.02 0.11 114.58 124.75 1i6d h GLU 8 Ca 0.45 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1i6d h GLU 8 Cb 0.36 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1i6d h GLU 8 CO -0.23 0.59 0.09 0.87 -1.18 0.00 0.00 179.01 179.15 1i6d h LYS 9 N 0.92 0.22 -0.97 1.92 1.57 -1.44 -2.96 116.57 115.83 1i6d h LYS 9 Ca 0.43 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1i6d h LYS 9 Cb 0.36 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1i6d h LYS 9 CO -0.24 0.22 0.64 0.28 -0.57 0.00 0.00 179.45 179.78 1i6d h VAL 10 N 0.17 1.20 0.00 0.50 2.07 -1.20 -2.43 116.25 116.57 1i6d h VAL 10 Ca 0.06 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1i6d h VAL 10 Cb 0.06 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 1i6d h VAL 10 CO -0.01 0.23 0.19 0.15 0.02 0.00 0.00 177.57 178.15 1i6d h PHE 11 N 1.27 0.00 -0.99 1.57 3.04 -0.76 -2.30 116.94 118.78 1i6d h PHE 11 Ca 0.37 0.00 0.35 0.00 3.98 0.00 0.00 57.97 62.67 1i6d h PHE 11 Cb -0.07 0.00 -0.16 0.00 2.56 0.00 0.00 35.95 38.28 1i6d h PHE 11 CO -0.00 0.00 0.49 0.78 -2.02 0.00 0.00 178.31 177.56 1i6d h GLY 12 N 0.00 2.02 1.29 2.40 0.00 -1.26 -0.12 103.07 107.40 1i6d h GLY 12 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1i6d h GLY 12 CO 0.00 -0.60 0.19 0.50 0.00 0.00 0.00 176.54 176.63 1i6d h LYS 13 N 0.18 0.90 0.20 4.80 1.57 -1.62 -3.37 116.57 119.23 1i6d h LYS 13 Ca 0.75 -0.17 -0.31 0.00 -1.87 0.00 0.00 60.65 59.05 1i6d h LYS 13 Cb 1.80 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 33.99 1i6d h LYS 13 CO -0.69 0.78 -1.43 0.00 -0.57 0.00 0.00 179.45 177.54 1i6d h LYS 15 N -0.01 0.00 -0.79 0.00 2.10 -1.22 -0.49 116.57 116.15 1i6d h LYS 15 Ca -0.27 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.44 1i6d h LYS 15 Cb 2.01 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.29 1i6d h LYS 15 CO 0.21 0.00 0.52 0.00 -2.00 0.00 0.00 179.45 178.18 1i6d h ALA 16 N 1.72 1.61 0.02 0.07 0.00 -1.79 -3.34 119.26 117.56 1i6d h ALA 16 Ca 0.26 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.75 1i6d h ALA 16 Cb 1.04 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1i6d h ALA 16 CO -0.00 0.28 -2.30 0.00 0.00 0.00 0.00 179.25 177.23 1i6d s HIS 18 N -2.51 3.16 -0.21 0.00 3.76 -0.24 -1.24 115.29 118.02 1i6d s HIS 18 Ca -0.33 -0.03 -0.08 0.00 -0.15 0.00 0.00 55.06 54.46 1i6d s HIS 18 Cb 0.10 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1i6d s HIS 18 CO 0.60 0.15 0.09 0.15 -0.85 0.00 0.00 174.74 174.88 1i6d s LYS 19 N 0.12 3.97 0.31 1.40 3.01 -1.26 -4.14 119.74 123.15 1i6d s LYS 19 Ca 0.02 -0.34 0.11 0.00 -1.01 0.00 0.00 55.97 54.75 1i6d s LYS 19 Cb -0.13 -3.33 0.48 0.00 -1.01 0.00 0.00 37.83 33.84 1i6d s LYS 19 CO 0.02 0.15 1.69 -0.07 0.51 0.00 0.00 175.35 177.64 1i6d h LEU 20 N 7.15 0.04 -4.71 3.17 3.38 -1.94 -3.23 115.31 119.17 1i6d h LEU 20 Ca -0.38 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.07 1i6d h LEU 20 Cb 1.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1i6d h LEU 20 CO 0.67 0.55 2.46 0.47 0.09 0.00 0.00 178.44 182.68 1i6d n ASP 21 N -3.93 7.45 -2.89 -0.43 8.00 -1.26 -4.46 116.55 119.04 1i6d n ASP 21 Ca -0.02 -2.52 -0.18 0.00 0.71 0.00 0.00 54.79 52.79 1i6d n ASP 21 Cb 0.53 -1.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.15 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 3.25 -0.50 3.19 0.44 0.00 -1.26 -5.00 105.19 105.31 1i6d n GLY 22 Ca 0.66 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.39 2.11 0.14 1.61 0.01 -1.26 -4.99 114.94 110.18 1i6d s ASN 23 Ca 0.20 -0.42 0.06 0.00 -0.71 0.00 0.00 52.86 51.99 1i6d s ASN 23 Cb -0.10 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.32 1i6d s ASN 23 CO 0.24 0.16 0.04 1.51 -1.51 0.00 0.00 177.10 177.54 1i6d s ASP 24 N -0.83 5.05 0.00 -1.22 1.47 -1.26 -2.99 116.67 116.89 1i6d s ASP 24 Ca 0.06 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.53 1i6d s ASP 24 Cb -0.08 -1.19 0.00 0.00 -0.34 0.00 0.00 42.92 41.32 1i6d s ASP 24 CO 0.01 0.11 0.00 0.61 0.68 0.00 0.00 175.17 176.58 1i6d n GLY 25 N 0.04 -1.76 0.07 2.12 0.00 -1.26 -5.00 105.19 99.40 1i6d n GLY 25 Ca -0.10 0.62 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -3.07 1.61 2.07 -1.95 -3.47 116.25 111.44 1i6d h VAL 26 Ca 0.00 -0.52 -0.67 0.00 0.82 0.00 0.00 66.70 66.33 1i6d h VAL 26 Cb 0.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.66 1i6d h VAL 26 CO 0.00 0.00 -0.57 -0.83 0.02 0.00 0.00 177.57 176.19 1i6d s GLY 27 N -2.75 1.98 -0.06 2.17 0.00 -0.37 -5.00 107.32 103.29 1i6d s GLY 27 Ca -0.02 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 1i6d s GLY 27 CO 0.05 -0.56 1.23 2.56 0.00 0.00 0.00 173.10 176.39 1i6d s PRO 28 N -1.13 4.33 -0.08 2.90 0.04 -1.26 -4.34 135.00 135.46 1i6d s PRO 28 Ca 0.16 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1i6d s PRO 28 Cb -0.12 -3.58 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 1i6d s PRO 28 CO 0.06 -0.49 0.38 -2.39 0.04 0.00 0.00 177.00 174.60 1i6d n HIS 29 N 5.38 0.36 1.50 0.56 1.44 -1.16 -4.82 115.22 118.47 1i6d n HIS 29 Ca 0.12 0.31 0.14 0.00 -2.01 0.00 0.00 57.72 56.28 1i6d n HIS 29 Cb 0.46 -0.61 0.57 0.00 0.12 0.00 0.00 29.99 30.53 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 0.82 0.97 -4.63 2.39 4.77 -1.22 -4.66 117.00 115.43 1i6d n LEU 30 Ca 0.07 -0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1i6d n LEU 30 Cb 0.00 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1i6d n LEU 30 CO 0.22 0.17 1.17 0.21 -1.33 0.00 0.00 177.39 177.82 1i6d s ASN 31 N -2.21 6.61 -0.14 -1.43 2.47 -1.26 -3.29 114.94 115.70 1i6d s ASN 31 Ca 0.35 1.23 -0.01 0.00 0.42 0.00 0.00 52.86 54.85 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 -1.12 0.12 0.61 -3.72 0.00 0.00 177.10 173.40 1i6d n GLY 32 N 4.41 0.64 0.13 1.21 0.00 -0.10 -4.91 105.19 106.55 1i6d n GLY 32 Ca 0.15 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.26 1.63 -2.25 1.61 3.14 -1.21 -4.63 118.33 114.36 1i6d n VAL 33 Ca -0.01 -0.66 -0.43 0.00 -2.96 0.00 0.00 64.34 60.29 1i6d n VAL 33 Cb 0.51 -1.44 -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 -2.54 3.89 0.00 1.55 1.01 -1.26 -1.51 120.40 121.54 1i6d s VAL 34 Ca -0.24 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1i6d s VAL 34 Cb 0.08 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1i6d s VAL 34 CO 0.72 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1i6d n GLY 35 N 4.49 1.02 3.78 4.51 0.00 0.04 -5.00 105.19 114.03 1i6d n GLY 35 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.45 4.61 0.43 1.61 3.52 -0.57 -4.57 118.95 123.54 1i6d s ARG 36 Ca 0.00 1.34 -0.25 0.00 -0.13 0.00 0.00 55.73 56.69 1i6d s ARG 36 Cb 0.00 -2.86 -0.09 0.00 -1.56 0.00 0.00 34.95 30.44 1i6d s ARG 36 CO 0.00 0.31 1.33 2.41 -0.81 0.00 0.00 175.30 178.54 1i6d n THR 37 N 0.68 2.63 -2.13 4.11 -1.04 -1.26 -0.51 114.28 116.75 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 -1.67 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 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 -1.19 3.67 -1.07 12.58 1.01 -0.35 -1.27 120.40 133.77 1i6d s VAL 38 Ca 0.61 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 1i6d s VAL 38 Cb -0.49 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1i6d s VAL 38 CO 0.58 -0.05 0.05 0.00 0.00 0.00 0.00 175.10 175.68 1i6d n ALA 39 N 6.33 -0.40 -1.90 5.51 0.00 -1.26 -4.79 120.51 124.00 1i6d n ALA 39 Ca 0.15 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 1i6d n ALA 39 Cb 0.43 -1.66 0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.04 5.51 2.84 0.00 0.00 -0.40 -4.80 105.19 107.30 1i6d n GLY 40 Ca -0.14 -2.47 -0.30 0.00 0.00 0.00 0.00 46.02 43.11 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 -5.03 1.19 -0.64 1.61 1.01 -1.26 -4.83 120.40 112.44 1i6d s VAL 41 Ca 0.52 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 1i6d s VAL 41 Cb 0.44 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1i6d s VAL 41 CO -0.41 -0.37 1.64 -1.81 0.00 0.00 0.00 175.10 174.15 1i6d s ASP 42 N 1.51 5.64 0.00 3.32 1.01 -1.26 -2.54 116.67 124.34 1i6d s ASP 42 Ca 0.02 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.39 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 -2.14 0.00 0.61 0.21 0.00 0.00 175.17 173.72 1i6d n GLY 43 N 5.56 1.56 3.63 0.21 0.00 -1.26 -5.15 105.19 109.73 1i6d n GLY 43 Ca 0.14 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 3.08 -0.87 1.61 5.36 -1.05 -4.95 117.98 121.14 1i6d s PHE 44 Ca 0.00 0.09 -0.24 0.00 -0.96 0.00 0.00 56.93 55.82 1i6d s PHE 44 Cb 0.00 -1.78 0.05 0.00 -0.34 0.00 0.00 43.02 40.94 1i6d s PHE 44 CO 0.00 0.37 1.33 1.21 -1.46 0.00 0.00 175.22 176.67 1i6d s ASN 45 N -0.72 6.34 0.53 6.13 2.47 -1.26 -4.94 114.94 123.49 1i6d s ASN 45 Ca 0.11 -1.03 -0.17 0.00 0.42 0.00 0.00 52.86 52.18 1i6d s ASN 45 Cb -0.11 -2.55 -0.07 0.00 -1.45 0.00 0.00 41.25 37.07 1i6d s ASN 45 CO 0.02 -1.62 1.02 -0.31 -3.72 0.00 0.00 177.10 172.49 1i6d s TYR 46 N 5.11 3.18 0.49 0.43 2.02 -1.26 -5.07 117.35 122.25 1i6d s TYR 46 Ca 0.39 1.52 -0.21 0.00 -0.37 0.00 0.00 57.07 58.39 1i6d s TYR 46 Cb -0.05 -2.93 -0.07 0.00 -0.40 0.00 0.00 41.96 38.52 1i6d s TYR 46 CO 0.02 -0.71 1.13 -1.54 -1.57 0.00 0.00 175.55 172.89 1i6d s SER 47 N -2.68 6.03 0.26 2.29 1.04 -1.26 -4.83 113.70 114.55 1i6d s SER 47 Ca 0.62 2.21 -0.01 0.00 0.48 0.00 0.00 55.95 59.25 1i6d s SER 47 Cb -0.13 -2.59 0.55 0.00 0.10 0.00 0.00 66.02 63.95 1i6d s SER 47 CO 0.30 -1.01 1.72 0.44 0.98 0.00 0.00 173.24 175.67 1i6d h ASP 48 N 1.69 0.29 -0.28 7.02 3.32 -1.98 -0.89 116.42 125.59 1i6d h ASP 48 Ca -0.50 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1i6d h ASP 48 Cb 1.25 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 1i6d h ASP 48 CO 0.59 0.07 0.15 -0.65 -1.72 0.00 0.00 179.24 177.68 1i6d h PRO 49 N 0.43 0.43 -0.44 3.56 0.11 -1.85 0.04 132.00 134.27 1i6d h PRO 49 Ca 0.47 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 1i6d h PRO 49 Cb 0.78 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1i6d h PRO 49 CO -0.46 0.34 -0.12 1.98 -0.21 0.00 0.00 178.00 179.53 1i6d h MET 50 N 0.44 0.87 -0.09 1.05 4.05 -1.61 -2.91 114.93 116.72 1i6d h MET 50 Ca 0.11 -0.34 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1i6d h MET 50 Cb 0.05 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1i6d h MET 50 CO -0.02 0.98 0.02 0.87 0.23 0.00 0.00 176.91 179.00 1i6d h LYS 51 N 0.70 0.15 -1.05 0.39 1.57 -1.00 -3.21 116.57 114.12 1i6d h LYS 51 Ca 0.11 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1i6d h LYS 51 Cb 0.67 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.86 1i6d h LYS 51 CO 0.05 0.33 0.22 0.00 -0.57 0.00 0.00 179.45 179.48 1i6d n ALA 52 N -2.24 3.60 -0.00 3.86 0.00 -0.02 -4.59 120.51 121.11 1i6d n ALA 52 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 1i6d n ALA 52 Cb 0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 0.40 -0.11 -2.02 0.00 6.17 -1.51 -3.48 115.15 114.60 1i6d h HIS 53 Ca 0.21 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1i6d h HIS 53 Cb 1.55 0.04 0.00 0.00 2.52 0.00 0.00 27.41 31.52 1i6d h HIS 53 CO 0.52 -0.04 0.00 0.41 0.71 0.00 0.00 177.93 179.54 1i6d n GLY 54 N 1.47 -1.49 0.00 5.26 0.00 -1.26 -5.13 105.19 104.04 1i6d n GLY 54 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.09 -1.76 3.20 -0.02 0.00 -1.26 -5.05 105.19 100.21 1i6d n GLY 55 Ca 0.00 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.46 1.76 -1.30 1.61 1.11 -1.26 -1.21 116.67 115.91 1i6d s ASP 56 Ca 0.00 -0.76 -0.17 0.00 0.18 0.00 0.00 52.55 51.80 1i6d s ASP 56 Cb 0.00 -0.04 0.08 0.00 1.07 0.00 0.00 42.92 44.03 1i6d s ASP 56 CO 0.00 -0.16 1.74 0.79 1.18 0.00 0.00 175.17 178.72 1i6d n TRP 57 N 0.75 4.59 -1.58 4.23 7.02 0.33 -4.90 117.44 127.89 1i6d n TRP 57 Ca -0.17 -2.93 -0.31 0.00 -1.02 0.00 0.00 57.50 53.07 1i6d n TRP 57 Cb 0.56 -2.55 0.06 0.00 -2.42 0.00 0.00 31.31 26.96 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 3.68 3.80 0.21 -0.99 -4.23 -1.26 -0.78 115.64 116.07 1i6d s THR 58 Ca 0.51 0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 61.49 1i6d s THR 58 Cb 0.04 -3.34 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1i6d s THR 58 CO 0.05 -0.77 1.65 1.55 -0.54 0.00 0.00 174.62 176.57 1i6d h PRO 59 N -0.80 0.05 -0.05 3.99 0.13 -1.99 -0.34 132.00 133.00 1i6d h PRO 59 Ca -0.45 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1i6d h PRO 59 Cb 1.22 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1i6d h PRO 59 CO 0.58 0.04 -0.01 1.05 -0.23 0.00 0.00 178.00 179.42 1i6d h GLU 60 N 0.06 -0.00 -0.65 0.86 4.11 -1.99 -1.56 114.58 115.40 1i6d h GLU 60 Ca 0.30 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.77 1i6d h GLU 60 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1i6d h GLU 60 CO -0.56 -0.00 0.38 0.00 0.07 0.00 0.00 179.01 178.90 1i6d h ALA 61 N 1.04 0.86 0.02 1.06 0.00 -1.84 -0.01 119.26 120.39 1i6d h ALA 61 Ca 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i6d h ALA 61 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1i6d h ALA 61 CO -0.05 0.10 -0.06 -0.07 0.00 0.00 0.00 179.25 179.17 1i6d h LEU 62 N 0.73 -0.16 -1.02 0.00 3.38 -1.11 -0.90 115.31 116.24 1i6d h LEU 62 Ca 0.27 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 1i6d h LEU 62 Cb 0.09 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1i6d h LEU 62 CO -0.14 -0.09 -0.00 0.06 0.09 0.00 0.00 178.44 178.36 1i6d h GLN 63 N -0.11 0.70 0.19 1.13 -0.00 -1.12 0.15 115.11 116.05 1i6d h GLN 63 Ca 0.02 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.65 58.48 1i6d h GLN 63 Cb 0.13 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1i6d h GLN 63 CO -0.05 0.72 -0.09 0.93 -0.00 0.00 0.00 178.83 180.34 1i6d h GLU 64 N 0.66 -0.24 -0.34 0.06 5.08 -1.04 -1.80 114.58 116.95 1i6d h GLU 64 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1i6d h GLU 64 Cb 0.42 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1i6d h GLU 64 CO 0.02 -0.14 0.22 0.35 -1.00 0.00 0.00 179.01 178.46 1i6d h PHE 65 N -0.28 0.44 0.00 4.33 3.57 -1.08 -3.05 116.94 120.86 1i6d h PHE 65 Ca -0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i6d h PHE 65 Cb 0.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1i6d h PHE 65 CO -0.06 0.29 0.00 1.28 -2.23 0.00 0.00 178.31 177.60 1i6d n LEU 66 N -4.83 0.25 0.13 0.59 4.77 0.51 -1.52 117.00 116.89 1i6d n LEU 66 Ca -0.01 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1i6d n LEU 66 Cb 0.04 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 1i6d n LEU 66 CO 0.35 -0.32 0.47 0.74 -1.33 0.00 0.00 177.39 177.30 1i6d h THR 67 N 0.00 0.70 -2.41 -5.08 2.02 -1.23 0.19 112.91 107.11 1i6d h THR 67 Ca 0.00 -0.78 -0.35 0.00 0.77 0.00 0.00 66.41 66.05 1i6d h THR 67 Cb 0.33 1.08 -0.35 0.00 -1.74 0.00 0.00 68.15 67.47 1i6d h THR 67 CO 0.00 0.14 -0.65 0.21 0.37 0.00 0.00 175.52 175.59 1i6d s ASN 68 N -5.20 1.83 0.23 4.18 3.84 -1.11 -4.19 114.94 114.52 1i6d s ASN 68 Ca -0.13 -0.60 -0.07 0.00 0.21 0.00 0.00 52.86 52.26 1i6d s ASN 68 Cb 0.01 0.32 0.26 0.00 -0.55 0.00 0.00 41.25 41.30 1i6d s ASN 68 CO 0.50 -0.37 1.88 -0.65 -2.79 0.00 0.00 177.10 175.67 1i6d h PRO 69 N 8.31 1.03 -0.39 0.43 0.11 -1.46 -3.03 132.00 136.99 1i6d h PRO 69 Ca -0.16 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 1i6d h PRO 69 Cb 1.10 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1i6d h PRO 69 CO 0.33 0.68 0.07 0.87 -0.21 0.00 0.00 178.00 179.74 1i6d h LYS 70 N 1.06 0.58 -0.44 1.05 6.56 -1.88 -1.97 116.57 121.53 1i6d h LYS 70 Ca 0.34 -0.11 -0.06 0.00 -1.06 0.00 0.00 60.65 59.76 1i6d h LYS 70 Cb 0.02 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 1i6d h LYS 70 CO -0.12 0.56 0.04 0.00 -2.06 0.00 0.00 179.45 177.86 1i6d h ALA 71 N 1.51 0.59 0.03 3.86 0.00 -1.92 -3.17 119.26 120.17 1i6d h ALA 71 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i6d h ALA 71 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1i6d h ALA 71 CO 0.00 0.35 -0.02 0.28 0.00 0.00 0.00 179.25 179.86 1i6d h VAL 72 N 0.61 1.34 -3.41 0.00 2.07 -1.61 -3.42 116.25 111.83 1i6d h VAL 72 Ca 0.13 -1.72 -0.71 0.00 0.82 0.00 0.00 66.70 65.22 1i6d h VAL 72 Cb 0.44 2.41 -0.32 0.00 -1.52 0.00 0.00 31.29 32.30 1i6d h VAL 72 CO 0.02 0.41 -0.46 -0.69 0.02 0.00 0.00 177.57 176.86 1i6d s VAL 73 N -2.81 3.73 -0.88 2.57 1.01 -0.74 -5.06 120.40 118.22 1i6d s VAL 73 Ca -0.15 -1.98 -0.25 0.00 0.00 0.00 0.00 61.98 59.60 1i6d s VAL 73 Cb -0.01 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.90 1i6d s VAL 73 CO 0.58 -0.74 1.37 -0.54 0.00 0.00 0.00 175.10 175.77 1i6d s LYS 74 N 1.18 3.39 0.00 2.72 1.02 -1.20 -2.49 119.74 124.36 1i6d s LYS 74 Ca 0.08 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1i6d s LYS 74 Cb -0.24 -4.79 0.00 0.00 -0.52 0.00 0.00 37.83 32.28 1i6d s LYS 74 CO -0.03 -2.19 0.00 0.41 -0.92 0.00 0.00 175.35 172.62 1i6d n GLY 75 N 6.16 0.80 3.75 -3.33 0.00 -1.26 -4.74 105.19 106.56 1i6d n GLY 75 Ca 0.19 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.84 3.99 -1.77 2.61 -1.32 -1.04 -4.45 115.64 111.82 1i6d s THR 76 Ca 0.00 1.90 0.00 0.00 -1.21 0.00 0.00 61.69 62.38 1i6d s THR 76 Cb 0.00 -4.21 0.00 0.00 -1.51 0.00 0.00 72.50 66.78 1i6d s THR 76 CO 0.00 0.41 0.68 2.29 -2.21 0.00 0.00 174.62 175.79 1i6d n LYS 77 N 1.77 0.77 -2.61 7.08 2.85 -1.26 -4.85 118.16 121.91 1i6d n LYS 77 Ca -0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1i6d n LYS 77 Cb 0.47 -1.09 -0.02 0.00 -0.65 0.00 0.00 35.03 33.74 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6d s MET 78 N -1.77 3.88 -1.38 -1.58 1.75 -1.26 -4.98 119.30 113.96 1i6d s MET 78 Ca 0.00 0.83 -0.15 0.00 -1.25 0.00 0.00 55.69 55.12 1i6d s MET 78 Cb 0.00 -3.83 0.07 0.00 2.84 0.00 0.00 34.83 33.90 1i6d s MET 78 CO 0.00 -1.16 2.01 0.00 -0.65 0.00 0.00 175.02 175.22 1i6d n ALA 79 N 7.43 4.84 -3.71 4.11 0.00 -1.26 -4.87 120.51 127.03 1i6d n ALA 79 Ca 0.12 -3.92 -0.15 0.00 0.00 0.00 0.00 53.44 49.49 1i6d n ALA 79 Cb 0.48 -3.50 -0.15 0.00 0.00 0.00 0.00 19.45 16.29 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 3.23 -0.18 -0.07 0.00 5.36 -1.26 -5.10 117.98 119.96 1i6d s PHE 80 Ca 0.48 0.56 -0.16 0.00 -0.96 0.00 0.00 56.93 56.85 1i6d s PHE 80 Cb 0.10 -0.15 -0.12 0.00 -0.34 0.00 0.00 43.02 42.51 1i6d s PHE 80 CO -0.03 -0.22 0.62 0.00 -1.46 0.00 0.00 175.22 174.14 1i6d h ALA 81 N 7.72 -0.22 0.00 11.12 0.00 -1.95 -3.41 119.26 132.52 1i6d h ALA 81 Ca -0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i6d h ALA 81 Cb 1.13 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i6d h ALA 81 CO 0.30 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1i6d n GLY 82 N 0.92 2.77 3.37 0.00 0.00 -1.26 -4.30 105.19 106.69 1i6d n GLY 82 Ca -0.06 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 5.60 0.22 0.99 1.43 0.67 -4.99 118.68 122.60 1i6d s LEU 83 Ca 0.00 -1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1i6d s LEU 83 Cb 0.00 -2.27 0.22 0.00 0.03 0.00 0.00 46.19 44.17 1i6d s LEU 83 CO 0.00 -0.88 1.57 1.55 0.23 0.00 0.00 176.35 178.82 1i6d h PRO 84 N 8.96 0.47 -6.33 1.29 0.13 -1.88 -3.40 132.00 131.24 1i6d h PRO 84 Ca -0.29 -0.26 -0.55 0.00 -0.87 0.00 0.00 66.00 64.03 1i6d h PRO 84 Cb 1.10 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 84 CO 1.00 0.85 0.43 0.15 -0.23 0.00 0.00 178.00 180.20 1i6d s LYS 85 N -4.08 4.50 0.26 0.86 1.02 -1.26 -4.99 119.74 116.05 1i6d s LYS 85 Ca -0.06 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.29 1i6d s LYS 85 Cb 0.12 -3.49 0.53 0.00 -0.52 0.00 0.00 37.83 34.47 1i6d s LYS 85 CO 0.82 -0.15 1.74 0.97 -0.92 0.00 0.00 175.35 177.81 1i6d h ILE 86 N 4.92 0.66 -0.49 2.17 6.09 -2.00 -2.89 117.51 125.97 1i6d h ILE 86 Ca -0.37 -0.18 0.07 0.00 -1.37 0.00 0.00 64.86 63.01 1i6d h ILE 86 Cb 1.19 0.10 -0.06 0.00 0.47 0.00 0.00 36.82 38.52 1i6d h ILE 86 CO 0.79 0.09 0.17 -0.33 -3.07 0.00 0.00 178.15 175.80 1i6d h GLU 87 N 0.52 0.33 -0.66 2.19 5.08 -1.94 0.97 114.58 121.06 1i6d h GLU 87 Ca 0.46 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 1i6d h GLU 87 Cb 0.71 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1i6d h GLU 87 CO -0.41 0.22 0.39 -0.44 -1.00 0.00 0.00 179.01 177.76 1i6d h ASP 88 N 0.34 0.60 0.14 1.42 5.19 -1.82 0.23 116.42 122.50 1i6d h ASP 88 Ca 0.23 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1i6d h ASP 88 Cb 0.25 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1i6d h ASP 88 CO -0.25 0.40 -0.07 0.03 -3.12 0.00 0.00 179.24 176.24 1i6d h ARG 89 N 0.73 -0.18 -0.79 3.56 3.08 -1.29 -2.44 114.38 117.05 1i6d h ARG 89 Ca 0.28 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1i6d h ARG 89 Cb 0.12 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1i6d h ARG 89 CO -0.15 0.02 0.39 0.00 -1.07 0.00 0.00 179.97 179.16 1i6d h ALA 90 N 0.50 1.21 -0.00 0.04 0.00 -0.81 -0.06 119.26 120.13 1i6d h ALA 90 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1i6d h ALA 90 Cb 0.28 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1i6d h ALA 90 CO 0.03 0.61 -0.12 -0.91 0.00 0.00 0.00 179.25 178.87 1i6d h ASN 91 N 1.12 -0.35 -0.47 0.00 2.35 -0.41 -0.52 115.58 117.30 1i6d h ASN 91 Ca 0.27 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.14 1i6d h ASN 91 Cb 0.09 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1i6d h ASN 91 CO -0.04 -0.17 0.16 0.25 -1.65 0.00 0.00 177.43 175.99 1i6d h LEU 92 N -0.20 0.17 -1.09 1.61 5.85 -1.37 -2.44 115.31 117.84 1i6d h LEU 92 Ca 0.04 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1i6d h LEU 92 Cb 0.26 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1i6d h LEU 92 CO -0.12 0.13 -0.43 0.40 -0.34 0.00 0.00 178.44 178.08 1i6d h ILE 93 N 0.34 1.19 -0.44 4.05 2.04 -0.95 0.98 117.51 124.72 1i6d h ILE 93 Ca 0.22 -1.53 0.05 0.00 1.00 0.00 0.00 64.86 64.60 1i6d h ILE 93 Cb 0.23 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1i6d h ILE 93 CO -0.23 0.42 0.17 0.00 0.00 0.00 0.00 178.15 178.52 1i6d h ALA 94 N 1.57 0.53 -0.22 1.87 0.00 -1.05 -1.57 119.26 120.39 1i6d h ALA 94 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i6d h ALA 94 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1i6d h ALA 94 CO 0.06 -0.21 0.12 -0.92 0.00 0.00 0.00 179.25 178.30 1i6d h TYR 95 N 0.36 0.31 -0.14 0.00 3.20 -0.93 -2.52 116.97 117.26 1i6d h TYR 95 Ca 0.20 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1i6d h TYR 95 Cb 0.17 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1i6d h TYR 95 CO -0.14 0.28 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.58 1i6d h LEU 96 N 0.25 0.18 -1.05 2.82 3.38 -0.87 -0.09 115.31 119.92 1i6d h LEU 96 Ca 0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1i6d h LEU 96 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1i6d h LEU 96 CO -0.01 0.23 -0.08 -0.33 0.09 0.00 0.00 178.44 178.35 1i6d h GLU 97 N 0.20 0.59 -0.62 1.13 5.08 -1.28 -3.15 114.58 116.52 1i6d h GLU 97 Ca 0.05 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1i6d h GLU 97 Cb 0.17 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1i6d h GLU 97 CO 0.00 0.67 0.25 0.78 -1.00 0.00 0.00 179.01 179.71 1i6d h GLY 98 N 0.93 1.00 -5.83 -3.84 0.00 -0.96 -3.32 103.07 91.04 1i6d h GLY 98 Ca 0.11 -0.54 -0.75 0.00 0.00 0.00 0.00 47.33 46.14 1i6d h GLY 98 CO 0.02 0.51 2.28 -1.06 0.00 0.00 0.00 176.54 178.30 1i6d n GLN 99 N -4.44 4.43 0.00 4.80 1.13 -0.10 -5.06 117.38 118.14 1i6d n GLN 99 Ca 0.04 -3.52 0.00 0.00 -1.94 0.00 0.00 57.00 51.58 1i6d n GLN 99 Cb 0.17 -2.68 0.00 0.00 0.11 0.00 0.00 30.24 27.84 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56