#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 3.72 -3.07 3.04 0.00 -1.26 -2.77 120.51 120.16 1i6d n ALA 2 Ca 0.00 -4.61 -0.38 0.00 0.00 0.00 0.00 53.44 48.45 1i6d n ALA 2 Cb 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.23 5.32 0.39 0.00 -1.08 -1.26 -4.89 116.67 113.91 1i6d s ASP 3 Ca 0.28 -0.76 0.20 0.00 -0.52 0.00 0.00 52.55 51.75 1i6d s ASP 3 Cb -0.02 -1.92 0.72 0.00 -1.46 0.00 0.00 42.92 40.24 1i6d s ASP 3 CO -0.12 -0.23 1.75 1.55 0.52 0.00 0.00 175.17 178.63 1i6d h PRO 4 N 8.28 0.00 -0.20 4.34 0.13 -1.84 -1.18 132.00 141.54 1i6d h PRO 4 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1i6d h PRO 4 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1i6d h PRO 4 CO 0.61 0.34 0.09 0.00 -0.23 0.00 0.00 178.00 178.81 1i6d h ALA 5 N 1.66 0.25 -0.88 -0.56 0.00 -1.96 -0.83 119.26 116.96 1i6d h ALA 5 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1i6d h ALA 5 Cb 0.87 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1i6d h ALA 5 CO 0.04 -0.18 0.58 0.00 0.00 0.00 0.00 179.25 179.69 1i6d h ALA 6 N 0.95 1.12 -0.91 0.00 0.00 -1.92 -3.17 119.26 115.33 1i6d h ALA 6 Ca 0.07 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1i6d h ALA 6 Cb 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 1i6d h ALA 6 CO -0.01 0.48 0.59 0.78 0.00 0.00 0.00 179.25 181.09 1i6d h GLY 7 N 1.16 1.10 0.59 0.00 0.00 -1.06 -1.98 103.07 102.88 1i6d h GLY 7 Ca 0.33 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1i6d h GLY 7 CO -0.08 0.02 -0.06 -2.09 0.00 0.00 0.00 176.54 174.32 1i6d h GLU 8 N 0.55 -0.02 -0.56 4.80 4.22 -1.12 0.63 114.58 123.07 1i6d h GLU 8 Ca 0.48 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.85 1i6d h GLU 8 Cb 0.98 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1i6d h GLU 8 CO -0.21 -0.02 0.07 1.57 -2.18 0.00 0.00 179.01 178.24 1i6d h LYS 9 N -0.03 0.90 -0.76 1.92 2.10 -1.58 -3.04 116.57 116.08 1i6d h LYS 9 Ca 0.09 -0.22 -0.04 0.00 -2.00 0.00 0.00 60.65 58.48 1i6d h LYS 9 Cb 0.17 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 1i6d h LYS 9 CO -0.21 0.85 0.30 0.28 -2.00 0.00 0.00 179.45 178.68 1i6d h VAL 10 N 0.85 1.26 0.00 0.07 2.07 -1.31 -2.46 116.25 116.73 1i6d h VAL 10 Ca 0.17 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1i6d h VAL 10 Cb 0.40 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1i6d h VAL 10 CO 0.01 0.33 0.25 0.15 0.02 0.00 0.00 177.57 178.33 1i6d h PHE 11 N 1.10 0.00 -1.15 1.57 3.04 -0.82 -2.75 116.94 117.93 1i6d h PHE 11 Ca 0.25 0.00 0.38 0.00 3.98 0.00 0.00 57.97 62.58 1i6d h PHE 11 Cb 0.22 0.00 -0.14 0.00 2.56 0.00 0.00 35.95 38.59 1i6d h PHE 11 CO 0.02 0.00 0.70 0.78 -2.02 0.00 0.00 178.31 177.79 1i6d h GLY 12 N 0.00 1.65 1.86 2.40 0.00 -1.32 -0.46 103.07 107.20 1i6d h GLY 12 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1i6d h GLY 12 CO 0.00 -0.45 -0.28 0.50 0.00 0.00 0.00 176.54 176.30 1i6d h LYS 13 N 0.18 0.16 0.21 4.80 1.57 -1.70 -3.36 116.57 118.43 1i6d h LYS 13 Ca 0.77 -0.06 -0.35 0.00 -1.87 0.00 0.00 60.65 59.15 1i6d h LYS 13 Cb 2.14 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 34.46 1i6d h LYS 13 CO -0.51 0.44 -1.65 0.00 -0.57 0.00 0.00 179.45 177.16 1i6d h LYS 15 N 0.11 0.09 -0.73 0.00 2.10 -1.33 -1.19 116.57 115.61 1i6d h LYS 15 Ca -0.31 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.36 1i6d h LYS 15 Cb 2.12 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 33.39 1i6d h LYS 15 CO 0.21 0.06 0.48 0.00 -2.00 0.00 0.00 179.45 178.21 1i6d h ALA 16 N 1.73 1.56 0.08 0.07 0.00 -1.81 -3.32 119.26 117.57 1i6d h ALA 16 Ca 0.26 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.76 1i6d h ALA 16 Cb 0.89 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1i6d h ALA 16 CO -0.02 0.37 -2.17 0.00 0.00 0.00 0.00 179.25 177.43 1i6d s HIS 18 N -2.55 2.83 -0.23 0.00 3.76 -0.50 -1.29 115.29 117.32 1i6d s HIS 18 Ca -0.26 -0.59 -0.09 0.00 -0.15 0.00 0.00 55.06 53.97 1i6d s HIS 18 Cb 0.07 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 1i6d s HIS 18 CO 0.71 -0.18 0.12 0.15 -0.85 0.00 0.00 174.74 174.69 1i6d s LYS 19 N 0.32 3.98 0.28 1.40 -0.14 -1.26 -4.20 119.74 120.13 1i6d s LYS 19 Ca -0.10 -0.32 0.05 0.00 -1.36 0.00 0.00 55.97 54.24 1i6d s LYS 19 Cb -0.16 -3.43 0.42 0.00 -1.68 0.00 0.00 37.83 32.99 1i6d s LYS 19 CO 0.05 0.07 1.69 -0.07 -0.76 0.00 0.00 175.35 176.33 1i6d h LEU 20 N 7.44 0.31 -4.54 3.17 3.38 -1.92 -3.24 115.31 119.90 1i6d h LEU 20 Ca -0.38 -0.13 -0.42 0.00 0.09 0.00 0.00 57.88 57.05 1i6d h LEU 20 Cb 1.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1i6d h LEU 20 CO 0.65 0.68 1.74 0.47 0.09 0.00 0.00 178.44 182.08 1i6d n ASP 21 N -4.03 6.83 -2.85 -0.43 8.00 -1.26 -4.39 116.55 118.42 1i6d n ASP 21 Ca -0.01 -2.50 -0.18 0.00 0.71 0.00 0.00 54.79 52.81 1i6d n ASP 21 Cb 0.48 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 40.13 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 3.06 -0.50 3.37 0.44 0.00 -1.26 -5.01 105.19 105.30 1i6d n GLY 22 Ca 0.59 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.36 3.34 -0.24 1.61 0.01 -1.26 -4.97 114.94 111.06 1i6d s ASN 23 Ca 0.18 -0.53 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 1i6d s ASN 23 Cb -0.09 -0.38 0.06 0.00 0.41 0.00 0.00 41.25 41.25 1i6d s ASN 23 CO 0.22 0.26 -0.06 -1.81 -1.51 0.00 0.00 177.10 174.21 1i6d s ASP 24 N -1.24 4.00 0.00 -1.22 1.11 -1.26 -3.26 116.67 114.80 1i6d s ASP 24 Ca 0.12 -1.26 0.00 0.00 0.18 0.00 0.00 52.55 51.60 1i6d s ASP 24 Cb -0.10 -1.26 0.00 0.00 1.07 0.00 0.00 42.92 42.63 1i6d s ASP 24 CO 0.03 -0.23 0.00 0.61 1.18 0.00 0.00 175.17 176.75 1i6d n GLY 25 N 4.61 0.95 0.11 0.21 0.00 -1.26 -4.91 105.19 104.90 1i6d n GLY 25 Ca -0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 0.55 -1.65 1.61 2.07 -1.92 -3.47 116.25 113.44 1i6d h VAL 26 Ca 0.00 -1.19 -0.48 0.00 0.82 0.00 0.00 66.70 65.85 1i6d h VAL 26 Cb 0.00 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1i6d h VAL 26 CO 0.00 0.17 -0.38 -0.83 0.02 0.00 0.00 177.57 176.55 1i6d s GLY 27 N -3.47 1.92 1.14 2.17 0.00 -0.42 -5.02 107.32 103.66 1i6d s GLY 27 Ca -0.08 -1.72 -0.17 0.00 0.00 0.00 0.00 44.72 42.74 1i6d s GLY 27 CO 0.30 -1.59 1.12 2.56 0.00 0.00 0.00 173.10 175.49 1i6d s PRO 28 N -4.12 -0.76 -0.42 2.90 0.04 -1.26 -4.57 135.00 126.81 1i6d s PRO 28 Ca 0.46 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.26 1i6d s PRO 28 Cb -0.06 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.85 1i6d s PRO 28 CO 0.29 -3.43 1.46 -3.38 0.04 0.00 0.00 177.00 171.98 1i6d s HIS 29 N -3.04 2.32 -1.34 0.56 -3.43 -1.20 -4.05 115.29 105.10 1i6d s HIS 29 Ca 0.70 0.65 0.21 0.00 -0.80 0.00 0.00 55.06 55.82 1i6d s HIS 29 Cb -0.11 -4.30 1.01 0.00 -1.43 0.00 0.00 32.58 27.75 1i6d s HIS 29 CO 0.56 -2.09 1.66 1.28 -2.00 0.00 0.00 174.74 174.15 1i6d n LEU 30 N 9.09 0.00 -4.67 5.38 4.77 -1.22 -4.69 117.00 125.66 1i6d n LEU 30 Ca 0.17 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 1i6d n LEU 30 Cb 0.48 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1i6d n LEU 30 CO 0.70 -0.10 1.37 0.21 -1.33 0.00 0.00 177.39 178.24 1i6d s ASN 31 N -2.66 6.65 -0.25 -1.43 2.47 -1.26 -3.14 114.94 115.32 1i6d s ASN 31 Ca 0.18 2.29 -0.00 0.00 0.42 0.00 0.00 52.86 55.75 1i6d s ASN 31 Cb 0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1i6d s ASN 31 CO 0.33 -0.92 0.01 0.61 -3.72 0.00 0.00 177.10 173.41 1i6d n GLY 32 N 4.12 0.27 0.09 1.21 0.00 0.28 -4.90 105.19 106.25 1i6d n GLY 32 Ca 0.17 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.02 1.17 -2.93 1.61 3.04 -1.76 -3.41 116.25 113.94 1i6d h VAL 33 Ca -0.07 -2.92 -0.57 0.00 -1.01 0.00 0.00 66.70 62.13 1i6d h VAL 33 Cb 1.05 2.64 -0.04 0.00 -2.01 0.00 0.00 31.29 32.94 1i6d h VAL 33 CO 0.08 0.74 1.06 -0.69 -1.01 0.00 0.00 177.57 177.75 1i6d s VAL 34 N -2.63 3.88 0.00 1.51 1.01 -1.26 -1.52 120.40 121.38 1i6d s VAL 34 Ca -0.05 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1i6d s VAL 34 Cb 0.08 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1i6d s VAL 34 CO 0.83 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1i6d n GLY 35 N 4.54 1.39 3.81 4.51 0.00 0.12 -4.99 105.19 114.58 1i6d n GLY 35 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.48 4.32 0.55 1.61 3.52 -0.57 -4.46 118.95 123.44 1i6d s ARG 36 Ca 0.00 1.04 -0.21 0.00 -0.13 0.00 0.00 55.73 56.43 1i6d s ARG 36 Cb 0.00 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 1i6d s ARG 36 CO 0.00 0.23 1.35 0.99 -0.81 0.00 0.00 175.30 177.06 1i6d s THR 37 N -1.76 2.08 -0.06 4.11 2.01 -1.26 -0.43 115.64 120.33 1i6d s THR 37 Ca 0.51 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1i6d s THR 37 Cb -0.15 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1i6d s THR 37 CO 0.20 -0.00 1.51 -0.69 -0.69 0.00 0.00 174.62 174.95 1i6d s VAL 38 N -1.31 3.72 -1.44 3.82 1.01 -0.45 -1.03 120.40 124.72 1i6d s VAL 38 Ca 0.72 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1i6d s VAL 38 Cb -0.40 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1i6d s VAL 38 CO 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.51 1i6d n ALA 39 N 6.50 -0.25 -2.08 5.51 0.00 -1.26 -4.76 120.51 124.18 1i6d n ALA 39 Ca 0.15 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 1i6d n ALA 39 Cb 0.43 -1.57 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.21 5.38 2.79 0.00 0.00 -0.20 -4.81 105.19 107.14 1i6d n GLY 40 Ca -0.15 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.94 0.48 -0.55 1.61 1.01 -1.26 -4.72 120.40 114.03 1i6d s VAL 41 Ca 0.50 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 1i6d s VAL 41 Cb 0.26 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1i6d s VAL 41 CO -0.18 0.27 1.07 -1.81 0.00 0.00 0.00 175.10 174.45 1i6d s ASP 42 N 1.93 6.42 0.00 3.32 1.11 -1.26 -3.68 116.67 124.51 1i6d s ASP 42 Ca 0.05 -0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1i6d s ASP 42 Cb -0.12 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1i6d s ASP 42 CO -0.06 -1.33 0.00 0.61 1.18 0.00 0.00 175.17 175.57 1i6d n GLY 43 N 5.06 2.66 3.80 0.21 0.00 -1.26 -5.13 105.19 110.52 1i6d n GLY 43 Ca 0.06 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 3.64 -0.74 1.61 5.36 -1.24 -4.96 117.98 121.65 1i6d s PHE 44 Ca 0.00 0.87 -0.25 0.00 -0.96 0.00 0.00 56.93 56.58 1i6d s PHE 44 Cb 0.00 -2.31 0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1i6d s PHE 44 CO 0.00 0.50 1.20 1.21 -1.46 0.00 0.00 175.22 176.67 1i6d s ASN 45 N -0.52 6.19 0.54 6.13 2.47 -1.26 -4.92 114.94 123.57 1i6d s ASN 45 Ca 0.22 -0.69 -0.15 0.00 0.42 0.00 0.00 52.86 52.66 1i6d s ASN 45 Cb -0.15 -2.52 -0.07 0.00 -1.45 0.00 0.00 41.25 37.06 1i6d s ASN 45 CO 0.10 -1.70 1.00 -0.31 -3.72 0.00 0.00 177.10 172.48 1i6d s TYR 46 N 5.17 3.46 0.50 0.43 2.02 -1.26 -5.07 117.35 122.60 1i6d s TYR 46 Ca 0.32 1.43 -0.21 0.00 -0.37 0.00 0.00 57.07 58.24 1i6d s TYR 46 Cb -0.10 -2.79 -0.07 0.00 -0.40 0.00 0.00 41.96 38.60 1i6d s TYR 46 CO 0.12 -0.48 1.14 -1.54 -1.57 0.00 0.00 175.55 173.22 1i6d s SER 47 N -3.28 5.96 0.21 2.29 1.04 -1.26 -4.89 113.70 113.78 1i6d s SER 47 Ca 0.58 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 59.14 1i6d s SER 47 Cb -0.10 -2.59 0.28 0.00 0.10 0.00 0.00 66.02 63.71 1i6d s SER 47 CO 0.36 -1.05 1.77 0.44 0.98 0.00 0.00 173.24 175.73 1i6d h ASP 48 N 1.60 0.35 -0.01 7.02 3.32 -1.98 -1.19 116.42 125.53 1i6d h ASP 48 Ca -0.50 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1i6d h ASP 48 Cb 1.25 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1i6d h ASP 48 CO 0.58 0.21 -0.04 -0.65 -1.72 0.00 0.00 179.24 177.63 1i6d h PRO 49 N 0.51 0.14 -0.40 3.56 0.11 -1.87 0.00 132.00 134.06 1i6d h PRO 49 Ca 0.31 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 1i6d h PRO 49 Cb 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1i6d h PRO 49 CO -0.27 0.20 0.01 1.98 -0.21 0.00 0.00 178.00 179.72 1i6d h MET 50 N 0.14 0.69 -0.25 1.05 4.05 -1.75 -2.96 114.93 115.91 1i6d h MET 50 Ca 0.03 -0.21 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1i6d h MET 50 Cb 0.17 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1i6d h MET 50 CO 0.01 0.77 0.08 0.87 0.23 0.00 0.00 176.91 178.87 1i6d h LYS 51 N 0.52 0.39 -0.81 0.39 1.57 -0.98 -3.17 116.57 114.48 1i6d h LYS 51 Ca 0.11 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1i6d h LYS 51 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1i6d h LYS 51 CO 0.02 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 1i6d n ALA 52 N -2.28 2.53 0.08 3.86 0.00 -0.03 -4.50 120.51 120.17 1i6d n ALA 52 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1i6d n ALA 52 Cb 0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 0.11 -0.28 -1.82 0.00 6.17 -1.48 -3.49 115.15 114.36 1i6d h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1i6d h HIS 53 Cb 0.45 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.47 1i6d h HIS 53 CO 0.03 -0.16 0.00 0.41 0.71 0.00 0.00 177.93 178.92 1i6d n GLY 54 N 1.01 -1.79 0.00 5.26 0.00 -1.26 -5.14 105.19 103.26 1i6d n GLY 54 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.69 3.16 -0.02 0.00 -1.26 -5.04 105.19 100.39 1i6d n GLY 55 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.63 1.57 -1.34 1.61 1.01 -1.26 -1.34 116.67 115.29 1i6d s ASP 56 Ca 0.00 -0.63 -0.16 0.00 0.71 0.00 0.00 52.55 52.48 1i6d s ASP 56 Cb 0.00 -0.04 0.08 0.00 1.01 0.00 0.00 42.92 43.98 1i6d s ASP 56 CO 0.00 -0.11 1.87 0.79 0.21 0.00 0.00 175.17 177.93 1i6d n TRP 57 N 1.23 4.23 -1.51 4.23 7.02 0.42 -4.88 117.44 128.17 1i6d n TRP 57 Ca -0.21 -2.94 -0.31 0.00 -1.02 0.00 0.00 57.50 53.02 1i6d n TRP 57 Cb 0.54 -2.51 0.06 0.00 -2.42 0.00 0.00 31.31 26.99 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 3.30 3.86 0.25 -0.99 -4.23 -1.26 -0.70 115.64 115.87 1i6d s THR 58 Ca 0.49 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.58 1i6d s THR 58 Cb 0.07 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.84 1i6d s THR 58 CO 0.01 -0.79 1.72 1.55 -0.54 0.00 0.00 174.62 176.57 1i6d h PRO 59 N -0.81 0.40 0.08 3.99 0.13 -1.98 0.12 132.00 133.93 1i6d h PRO 59 Ca -0.44 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1i6d h PRO 59 Cb 1.22 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1i6d h PRO 59 CO 0.56 0.26 -0.26 1.05 -0.23 0.00 0.00 178.00 179.38 1i6d h GLU 60 N 0.41 -0.43 -0.61 0.86 4.11 -1.99 -1.90 114.58 115.02 1i6d h GLU 60 Ca 0.44 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.90 1i6d h GLU 60 Cb 0.71 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1i6d h GLU 60 CO -0.44 -0.29 0.39 0.00 0.07 0.00 0.00 179.01 178.73 1i6d h ALA 61 N 0.31 0.78 -0.08 1.06 0.00 -1.80 -2.00 119.26 117.51 1i6d h ALA 61 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i6d h ALA 61 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1i6d h ALA 61 CO -0.17 0.23 0.01 -0.07 0.00 0.00 0.00 179.25 179.25 1i6d h LEU 62 N 0.83 -0.02 -1.13 0.00 3.38 -1.05 -1.10 115.31 116.22 1i6d h LEU 62 Ca 0.22 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1i6d h LEU 62 Cb -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1i6d h LEU 62 CO -0.04 0.00 -0.01 0.06 0.09 0.00 0.00 178.44 178.54 1i6d h GLN 63 N 0.04 0.59 0.41 1.13 3.07 -1.31 0.14 115.11 119.17 1i6d h GLN 63 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 1i6d h GLN 63 Cb 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.52 1i6d h GLN 63 CO -0.06 0.62 -0.21 0.93 0.09 0.00 0.00 178.83 180.20 1i6d h GLU 64 N 0.56 -0.55 -0.70 0.06 5.08 -1.38 -1.99 114.58 115.66 1i6d h GLU 64 Ca 0.12 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1i6d h GLU 64 Cb 0.38 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1i6d h GLU 64 CO 0.01 -0.37 0.43 0.35 -1.00 0.00 0.00 179.01 178.43 1i6d h PHE 65 N -0.57 0.91 0.00 4.33 3.57 -1.09 -2.82 116.94 121.26 1i6d h PHE 65 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6d h PHE 65 Cb 0.45 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1i6d h PHE 65 CO -0.06 0.61 0.00 1.28 -2.23 0.00 0.00 178.31 177.91 1i6d n LEU 66 N -4.55 0.71 0.17 0.59 4.77 0.46 -1.34 117.00 117.81 1i6d n LEU 66 Ca 0.06 0.64 -0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1i6d n LEU 66 Cb 0.05 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1i6d n LEU 66 CO 0.37 -0.47 0.39 0.74 -1.33 0.00 0.00 177.39 177.09 1i6d h THR 67 N 0.00 0.44 -2.67 -5.08 2.02 -1.14 0.18 112.91 106.66 1i6d h THR 67 Ca 0.00 -0.69 -0.40 0.00 0.77 0.00 0.00 66.41 66.09 1i6d h THR 67 Cb 0.46 0.68 -0.38 0.00 -1.74 0.00 0.00 68.15 67.17 1i6d h THR 67 CO 0.00 0.09 -0.69 0.21 0.37 0.00 0.00 175.52 175.50 1i6d s ASN 68 N -5.04 2.15 0.21 4.18 3.84 -1.09 -4.21 114.94 114.98 1i6d s ASN 68 Ca -0.12 -0.64 0.01 0.00 0.21 0.00 0.00 52.86 52.32 1i6d s ASN 68 Cb 0.01 0.07 0.16 0.00 -0.55 0.00 0.00 41.25 40.94 1i6d s ASN 68 CO 0.43 -0.37 1.51 1.55 -2.79 0.00 0.00 177.10 177.43 1i6d h PRO 69 N 8.35 0.37 -0.41 0.43 0.13 -1.42 -3.07 132.00 136.38 1i6d h PRO 69 Ca -0.17 -0.26 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1i6d h PRO 69 Cb 1.11 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1i6d h PRO 69 CO 0.33 0.88 -0.02 0.87 -0.23 0.00 0.00 178.00 179.83 1i6d h LYS 70 N 0.27 0.67 -0.50 0.86 6.56 -1.86 -1.61 116.57 120.95 1i6d h LYS 70 Ca -0.01 -0.17 -0.06 0.00 -1.06 0.00 0.00 60.65 59.35 1i6d h LYS 70 Cb 1.16 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.72 1i6d h LYS 70 CO 0.11 0.70 0.07 0.00 -2.06 0.00 0.00 179.45 178.27 1i6d h ALA 71 N 1.35 0.66 0.13 3.86 0.00 -1.97 -3.28 119.26 120.03 1i6d h ALA 71 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1i6d h ALA 71 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i6d h ALA 71 CO 0.02 0.41 -0.06 0.28 0.00 0.00 0.00 179.25 179.89 1i6d h VAL 72 N 0.71 0.74 -3.20 0.00 2.07 -1.54 -3.40 116.25 111.63 1i6d h VAL 72 Ca 0.15 -1.23 -0.76 0.00 0.82 0.00 0.00 66.70 65.68 1i6d h VAL 72 Cb 0.41 1.31 -0.25 0.00 -1.52 0.00 0.00 31.29 31.24 1i6d h VAL 72 CO 0.01 0.21 -0.20 -0.69 0.02 0.00 0.00 177.57 176.93 1i6d s VAL 73 N -2.88 5.17 -0.78 2.57 1.01 -0.61 -5.04 120.40 119.85 1i6d s VAL 73 Ca -0.11 -1.65 -0.26 0.00 0.00 0.00 0.00 61.98 59.97 1i6d s VAL 73 Cb -0.00 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1i6d s VAL 73 CO 0.39 -0.88 1.67 -1.59 0.00 0.00 0.00 175.10 174.70 1i6d s LYS 74 N 1.40 2.90 0.00 2.72 -2.85 -1.24 -2.26 119.74 120.42 1i6d s LYS 74 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.94 1i6d s LYS 74 Cb -0.27 -4.65 0.00 0.00 -2.06 0.00 0.00 37.83 30.85 1i6d s LYS 74 CO 0.01 -2.66 0.00 0.41 0.10 0.00 0.00 175.35 173.21 1i6d n GLY 75 N 6.08 1.74 3.76 0.59 0.00 -1.26 -4.80 105.19 111.30 1i6d n GLY 75 Ca 0.23 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.28 -1.83 2.61 -1.32 -0.96 -4.55 115.64 110.87 1i6d s THR 76 Ca 0.00 1.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.77 1i6d s THR 76 Cb 0.00 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1i6d s THR 76 CO 0.00 0.31 0.84 2.29 -2.21 0.00 0.00 174.62 175.85 1i6d n LYS 77 N 1.10 0.92 -2.40 7.08 2.85 -1.26 -4.83 118.16 121.61 1i6d n LYS 77 Ca -0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1i6d n LYS 77 Cb 0.44 -1.08 -0.02 0.00 -0.65 0.00 0.00 35.03 33.72 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 -1.83 3.50 -1.34 -1.58 1.75 -1.26 -4.97 119.30 113.57 1i6d s MET 78 Ca 0.00 0.72 -0.17 0.00 -1.25 0.00 0.00 55.69 54.99 1i6d s MET 78 Cb 0.00 -4.04 0.06 0.00 2.84 0.00 0.00 34.83 33.69 1i6d s MET 78 CO 0.00 -1.67 1.87 0.00 -0.65 0.00 0.00 175.02 174.57 1i6d n ALA 79 N 8.95 4.15 -3.77 4.11 0.00 -1.26 -4.86 120.51 127.82 1i6d n ALA 79 Ca 0.14 -3.87 -0.15 0.00 0.00 0.00 0.00 53.44 49.56 1i6d n ALA 79 Cb 0.49 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.21 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 3.83 0.03 -0.06 0.00 5.36 -1.26 -5.10 117.98 120.77 1i6d s PHE 80 Ca 0.52 0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 56.58 1i6d s PHE 80 Cb 0.07 -0.24 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1i6d s PHE 80 CO 0.03 -0.09 0.21 0.00 -1.46 0.00 0.00 175.22 173.91 1i6d h ALA 81 N 7.31 -0.19 0.00 11.12 0.00 -1.95 -3.41 119.26 132.15 1i6d h ALA 81 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i6d h ALA 81 Cb 1.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i6d h ALA 81 CO 0.47 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1i6d n GLY 82 N 1.32 2.15 3.32 0.00 0.00 -1.26 -4.43 105.19 106.29 1i6d n GLY 82 Ca -0.02 -0.57 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 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 6.14 0.24 0.99 1.43 0.63 -5.00 118.68 123.11 1i6d s LEU 83 Ca 0.00 -1.79 0.02 0.00 -1.03 0.00 0.00 54.13 51.33 1i6d s LEU 83 Cb 0.00 -2.22 0.26 0.00 0.03 0.00 0.00 46.19 44.26 1i6d s LEU 83 CO 0.00 -0.87 1.59 1.55 0.23 0.00 0.00 176.35 178.84 1i6d h PRO 84 N 8.88 0.38 -6.44 1.29 0.13 -1.88 -3.40 132.00 130.96 1i6d h PRO 84 Ca -0.29 -0.22 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 1i6d h PRO 84 Cb 1.10 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 84 CO 1.04 0.80 0.42 0.15 -0.23 0.00 0.00 178.00 180.17 1i6d s LYS 85 N -4.00 4.53 0.26 0.86 1.02 -1.26 -4.99 119.74 116.17 1i6d s LYS 85 Ca -0.06 1.51 -0.01 0.00 0.02 0.00 0.00 55.97 57.44 1i6d s LYS 85 Cb 0.12 -3.43 0.55 0.00 -0.52 0.00 0.00 37.83 34.56 1i6d s LYS 85 CO 0.81 -0.09 1.74 0.97 -0.92 0.00 0.00 175.35 177.86 1i6d h ILE 86 N 4.69 0.67 -0.33 2.17 6.09 -2.00 -2.92 117.51 125.87 1i6d h ILE 86 Ca -0.41 -0.19 0.07 0.00 -1.37 0.00 0.00 64.86 62.96 1i6d h ILE 86 Cb 1.22 0.07 -0.08 0.00 0.47 0.00 0.00 36.82 38.50 1i6d h ILE 86 CO 0.76 0.10 -0.20 -0.33 -3.07 0.00 0.00 178.15 175.41 1i6d h GLU 87 N 0.55 -0.15 -0.64 2.19 5.08 -1.94 0.44 114.58 120.11 1i6d h GLU 87 Ca 0.47 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.88 1i6d h GLU 87 Cb 0.72 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1i6d h GLU 87 CO -0.40 -0.10 0.37 -0.44 -1.00 0.00 0.00 179.01 177.44 1i6d h ASP 88 N -0.16 0.58 0.45 1.42 5.19 -1.88 -0.53 116.42 121.49 1i6d h ASP 88 Ca 0.17 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1i6d h ASP 88 Cb 0.42 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1i6d h ASP 88 CO -0.43 0.39 -0.22 0.03 -3.12 0.00 0.00 179.24 175.89 1i6d h ARG 89 N 0.71 -0.59 -0.89 3.56 3.08 -1.31 -2.24 114.38 116.71 1i6d h ARG 89 Ca 0.27 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1i6d h ARG 89 Cb 0.10 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1i6d h ARG 89 CO -0.14 -0.34 0.50 0.00 -1.07 0.00 0.00 179.97 178.92 1i6d h ALA 90 N -0.21 1.21 -0.00 0.04 0.00 -0.94 -0.78 119.26 118.58 1i6d h ALA 90 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1i6d h ALA 90 Cb 0.52 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1i6d h ALA 90 CO 0.10 0.65 -0.00 -0.91 0.00 0.00 0.00 179.25 179.09 1i6d h ASN 91 N 1.24 -0.00 -0.29 0.00 2.35 -0.90 -1.37 115.58 116.60 1i6d h ASN 91 Ca 0.31 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1i6d h ASN 91 Cb -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1i6d h ASN 91 CO -0.05 -0.00 0.15 0.25 -1.65 0.00 0.00 177.43 176.12 1i6d h LEU 92 N -0.00 0.22 -0.91 1.61 6.46 -1.34 -2.37 115.31 118.98 1i6d h LEU 92 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1i6d h LEU 92 Cb 0.00 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1i6d h LEU 92 CO -0.00 0.17 0.58 0.40 -0.62 0.00 0.00 178.44 178.97 1i6d h ILE 93 N 0.31 1.24 -0.74 4.05 2.04 -1.16 0.04 117.51 123.28 1i6d h ILE 93 Ca 0.12 -0.46 0.12 0.00 1.00 0.00 0.00 64.86 65.64 1i6d h ILE 93 Cb 0.03 -0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 35.95 1i6d h ILE 93 CO -0.08 0.24 0.32 0.00 0.00 0.00 0.00 178.15 178.63 1i6d h ALA 94 N 1.32 1.04 -0.52 1.87 0.00 -1.21 -0.17 119.26 121.60 1i6d h ALA 94 Ca 0.33 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1i6d h ALA 94 Cb -0.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1i6d h ALA 94 CO -0.07 -0.15 0.19 -0.92 0.00 0.00 0.00 179.25 178.31 1i6d h TYR 95 N 0.51 0.80 -0.90 0.00 3.20 -0.85 -2.07 116.97 117.65 1i6d h TYR 95 Ca 0.39 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.26 1i6d h TYR 95 Cb 0.54 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1i6d h TYR 95 CO -0.14 0.67 0.56 -0.07 -1.64 0.00 0.00 178.16 177.55 1i6d h LEU 96 N 0.70 0.89 -0.81 2.82 3.38 -0.82 -1.83 115.31 119.63 1i6d h LEU 96 Ca 0.17 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1i6d h LEU 96 Cb 0.22 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1i6d h LEU 96 CO -0.01 0.56 0.51 -0.33 0.09 0.00 0.00 178.44 179.26 1i6d h GLU 97 N 1.02 0.92 0.00 1.13 5.08 -0.97 -2.69 114.58 119.07 1i6d h GLU 97 Ca 0.39 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1i6d h GLU 97 Cb 0.18 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1i6d h GLU 97 CO -0.18 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 178.85 1i6d n GLY 98 N -1.32 -0.99 2.70 -3.84 0.00 -0.78 -4.34 105.19 96.62 1i6d n GLY 98 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.50 1.27 0.00 1.61 1.13 -0.71 -5.05 117.38 115.12 1i6d n GLN 99 Ca 0.00 -4.02 0.00 0.00 -1.94 0.00 0.00 57.00 51.04 1i6d n GLN 99 Cb 0.00 -2.06 0.00 0.00 0.11 0.00 0.00 30.24 28.29 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56