#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 3.81 -3.15 3.04 0.00 -1.26 -2.50 120.51 120.44 1i6d n ALA 2 Ca 0.00 -4.62 -0.38 0.00 0.00 0.00 0.00 53.44 48.44 1i6d n ALA 2 Cb 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.91 5.34 0.38 0.00 2.15 -1.26 -4.89 116.67 117.48 1i6d s ASP 3 Ca 0.29 -1.02 0.19 0.00 0.43 0.00 0.00 52.55 52.44 1i6d s ASP 3 Cb -0.03 -1.90 0.74 0.00 -0.30 0.00 0.00 42.92 41.43 1i6d s ASP 3 CO -0.11 -0.30 1.76 1.55 -0.17 0.00 0.00 175.17 177.90 1i6d h PRO 4 N 8.26 0.00 -0.26 4.34 0.13 -1.85 -1.41 132.00 141.20 1i6d h PRO 4 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1i6d h PRO 4 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1i6d h PRO 4 CO 0.61 0.36 0.14 0.00 -0.23 0.00 0.00 178.00 178.87 1i6d h ALA 5 N 1.64 0.33 -0.78 -0.56 0.00 -1.96 -0.87 119.26 117.08 1i6d h ALA 5 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1i6d h ALA 5 Cb 0.84 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1i6d h ALA 5 CO 0.05 -0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.60 1i6d h ALA 6 N 1.01 1.28 -0.87 0.00 0.00 -1.92 -3.14 119.26 115.61 1i6d h ALA 6 Ca 0.09 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1i6d h ALA 6 Cb 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1i6d h ALA 6 CO -0.01 0.58 0.56 0.78 0.00 0.00 0.00 179.25 181.16 1i6d h GLY 7 N 1.12 1.11 0.94 0.00 0.00 -1.09 -2.11 103.07 103.04 1i6d h GLY 7 Ca 0.27 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1i6d h GLY 7 CO -0.04 0.08 0.33 -2.09 0.00 0.00 0.00 176.54 174.81 1i6d h GLU 8 N 0.64 0.64 -0.45 4.80 4.22 -1.11 0.91 114.58 124.23 1i6d h GLU 8 Ca 0.43 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.72 1i6d h GLU 8 Cb 0.75 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1i6d h GLU 8 CO -0.19 0.42 -0.19 1.57 -2.18 0.00 0.00 179.01 178.44 1i6d h LYS 9 N 0.66 0.89 -0.84 1.92 2.10 -1.60 -3.10 116.57 116.60 1i6d h LYS 9 Ca 0.20 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1i6d h LYS 9 Cb -0.03 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.22 1i6d h LYS 9 CO -0.07 1.00 0.53 0.28 -2.00 0.00 0.00 179.45 179.20 1i6d h VAL 10 N 0.78 1.22 0.00 0.07 2.07 -1.34 -2.53 116.25 116.52 1i6d h VAL 10 Ca 0.11 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1i6d h VAL 10 Cb 0.73 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1i6d h VAL 10 CO 0.06 0.22 0.03 0.33 0.02 0.00 0.00 177.57 178.22 1i6d n PHE 11 N -4.48 0.40 -0.36 1.57 7.35 0.31 -1.58 117.46 120.67 1i6d n PHE 11 Ca 0.09 0.21 0.28 0.00 -0.76 0.00 0.00 57.45 57.27 1i6d n PHE 11 Cb 0.03 -0.82 0.54 0.00 0.35 0.00 0.00 39.48 39.58 1i6d n PHE 11 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1i6d h GLY 12 N 0.00 1.67 1.80 7.13 0.00 -1.37 0.04 103.07 112.34 1i6d h GLY 12 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1i6d h GLY 12 CO 0.00 -0.40 0.00 0.28 0.00 0.00 0.00 176.54 176.42 1i6d n LYS 13 N -4.86 0.11 -0.07 4.80 5.02 -0.61 -4.16 118.16 118.40 1i6d n LYS 13 Ca 0.32 0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.69 1i6d n LYS 13 Cb 1.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.05 0.00 -0.60 0.00 2.10 -1.21 -1.50 116.57 115.31 1i6d h LYS 15 Ca -0.30 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.41 1i6d h LYS 15 Cb 1.44 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.73 1i6d h LYS 15 CO -0.06 0.00 0.40 0.00 -2.00 0.00 0.00 179.45 177.79 1i6d h ALA 16 N 1.78 1.79 0.05 0.07 0.00 -1.86 -3.31 119.26 117.78 1i6d h ALA 16 Ca 0.14 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.65 1i6d h ALA 16 Cb 0.63 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1i6d h ALA 16 CO -0.00 0.11 -2.27 0.00 0.00 0.00 0.00 179.25 177.09 1i6d s HIS 18 N -2.53 2.96 -0.08 0.00 3.76 -0.62 -1.30 115.29 117.48 1i6d s HIS 18 Ca -0.30 0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1i6d s HIS 18 Cb 0.08 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 1i6d s HIS 18 CO 0.66 0.41 0.01 0.15 -0.85 0.00 0.00 174.74 175.11 1i6d s LYS 19 N -1.45 2.99 -0.29 1.40 1.02 -1.26 -4.30 119.74 117.86 1i6d s LYS 19 Ca 0.18 -0.41 0.12 0.00 0.02 0.00 0.00 55.97 55.87 1i6d s LYS 19 Cb -0.11 -2.80 0.74 0.00 -0.52 0.00 0.00 37.83 35.13 1i6d s LYS 19 CO 0.08 0.70 1.74 1.28 -0.92 0.00 0.00 175.35 178.23 1i6d n LEU 20 N 2.02 5.69 -1.84 3.17 4.77 -1.26 -1.47 117.00 128.08 1i6d n LEU 20 Ca -0.18 -3.16 -0.18 0.00 -0.03 0.00 0.00 56.01 52.46 1i6d n LEU 20 Cb 0.54 -0.70 0.16 0.00 -2.33 0.00 0.00 43.42 41.08 1i6d n LEU 20 CO 0.29 0.77 1.02 0.47 -1.33 0.00 0.00 177.39 178.61 1i6d n ASP 21 N -0.04 3.93 0.00 -1.43 8.00 -1.26 -4.86 116.55 120.89 1i6d n ASP 21 Ca 0.35 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 52.13 1i6d n ASP 21 Cb 1.27 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.08 0.48 2.98 0.44 0.00 -1.26 -4.99 105.19 101.76 1i6d n GLY 22 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.44 0.55 0.62 1.61 0.01 -1.26 -4.98 114.94 109.05 1i6d s ASN 23 Ca 0.00 -0.30 -0.10 0.00 -0.71 0.00 0.00 52.86 51.75 1i6d s ASN 23 Cb 0.00 0.00 -0.03 0.00 0.41 0.00 0.00 41.25 41.64 1i6d s ASN 23 CO 0.00 -0.10 1.01 1.51 -1.51 0.00 0.00 177.10 178.02 1i6d s ASP 24 N -0.82 6.06 0.00 -1.22 1.47 -1.26 -4.40 116.67 116.51 1i6d s ASP 24 Ca -0.05 1.29 0.00 0.00 1.18 0.00 0.00 52.55 54.97 1i6d s ASP 24 Cb -0.06 -2.32 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 1i6d s ASP 24 CO -0.00 -0.94 0.00 0.61 0.68 0.00 0.00 175.17 175.52 1i6d n GLY 25 N -2.74 2.48 0.07 2.12 0.00 -1.26 -4.96 105.19 100.89 1i6d n GLY 25 Ca 0.06 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 1.44 -1.58 1.61 2.07 -1.86 -3.46 116.25 114.47 1i6d h VAL 26 Ca 0.00 -1.73 -0.46 0.00 0.82 0.00 0.00 66.70 65.33 1i6d h VAL 26 Cb 0.00 2.55 0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1i6d h VAL 26 CO 0.00 0.42 -0.04 -0.83 0.02 0.00 0.00 177.57 177.14 1i6d s GLY 27 N -3.73 1.78 0.98 2.17 0.00 -0.42 -5.02 107.32 103.09 1i6d s GLY 27 Ca -0.16 -1.83 -0.12 0.00 0.00 0.00 0.00 44.72 42.61 1i6d s GLY 27 CO 0.62 -1.39 1.08 2.56 0.00 0.00 0.00 173.10 175.97 1i6d s PRO 28 N -4.80 0.57 -0.00 2.90 0.04 -1.26 -4.67 135.00 127.77 1i6d s PRO 28 Ca 0.62 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1i6d s PRO 28 Cb -0.07 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 1i6d s PRO 28 CO 0.40 -2.74 1.37 -3.38 0.04 0.00 0.00 177.00 172.69 1i6d s HIS 29 N -2.77 2.93 -0.82 0.56 -3.43 -1.26 -4.01 115.29 106.48 1i6d s HIS 29 Ca 0.65 0.89 0.08 0.00 -0.80 0.00 0.00 55.06 55.88 1i6d s HIS 29 Cb -0.21 -3.62 0.40 0.00 -1.43 0.00 0.00 32.58 27.72 1i6d s HIS 29 CO 0.59 -2.26 1.15 1.28 -2.00 0.00 0.00 174.74 173.50 1i6d n LEU 30 N 5.26 3.17 -4.64 5.38 4.77 -0.54 -4.94 117.00 125.48 1i6d n LEU 30 Ca 0.13 -1.61 -0.43 0.00 -0.03 0.00 0.00 56.01 54.07 1i6d n LEU 30 Cb 0.44 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1i6d n LEU 30 CO 0.58 0.45 1.47 0.20 -1.33 0.00 0.00 177.39 178.75 1i6d s ASN 31 N -0.47 6.31 -1.49 -1.43 -0.87 -1.26 -2.69 114.94 113.03 1i6d s ASN 31 Ca 0.27 1.91 -0.05 0.00 -1.57 0.00 0.00 52.86 53.42 1i6d s ASN 31 Cb 0.20 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1i6d s ASN 31 CO 0.09 -1.27 0.61 0.61 -2.57 0.00 0.00 177.10 174.57 1i6d n GLY 32 N 4.70 -0.47 0.27 0.66 0.00 -0.42 -4.89 105.19 105.04 1i6d n GLY 32 Ca 0.20 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.39 0.29 -2.81 1.61 3.04 -1.75 -3.39 116.25 111.85 1i6d h VAL 33 Ca -0.51 -0.61 -0.56 0.00 -1.01 0.00 0.00 66.70 64.01 1i6d h VAL 33 Cb 1.35 1.47 -0.04 0.00 -2.01 0.00 0.00 31.29 32.06 1i6d h VAL 33 CO 0.55 0.09 1.19 -0.69 -1.01 0.00 0.00 177.57 177.70 1i6d s VAL 34 N -3.86 3.65 0.00 1.51 1.01 -1.26 -1.64 120.40 119.80 1i6d s VAL 34 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1i6d s VAL 34 Cb 0.11 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1i6d s VAL 34 CO 0.56 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1i6d n GLY 35 N 5.32 0.67 3.92 4.51 0.00 0.50 -4.97 105.19 115.14 1i6d n GLY 35 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.75 3.49 0.46 1.61 3.52 -0.65 -4.54 118.95 122.09 1i6d s ARG 36 Ca 0.00 -0.35 -0.25 0.00 -0.13 0.00 0.00 55.73 55.00 1i6d s ARG 36 Cb 0.00 -2.97 -0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1i6d s ARG 36 CO 0.00 0.55 1.38 2.41 -0.81 0.00 0.00 175.30 178.83 1i6d n THR 37 N 0.12 2.92 -2.26 4.11 -1.04 -1.26 -0.18 114.28 116.68 1i6d n THR 37 Ca -0.04 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.04 1i6d n THR 37 Cb 0.52 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.25 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 -1.21 3.72 -1.26 12.58 1.01 -0.53 -1.41 120.40 133.29 1i6d s VAL 38 Ca 0.63 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.76 1i6d s VAL 38 Cb -0.46 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1i6d s VAL 38 CO 0.56 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.69 1i6d n ALA 39 N 4.84 -0.33 -1.74 5.51 0.00 -1.26 -4.78 120.51 122.75 1i6d n ALA 39 Ca 0.12 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1i6d n ALA 39 Cb 0.44 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.12 4.78 2.67 0.00 0.00 -0.50 -4.64 105.19 106.39 1i6d n GLY 40 Ca -0.15 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.89 0.58 -0.71 1.61 1.01 -1.26 -4.88 120.40 114.85 1i6d s VAL 41 Ca 0.56 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 1i6d s VAL 41 Cb 0.30 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1i6d s VAL 41 CO -0.17 -0.68 1.61 -1.81 0.00 0.00 0.00 175.10 174.05 1i6d s ASP 42 N 1.77 5.68 0.00 3.32 1.01 -1.26 -2.29 116.67 124.90 1i6d s ASP 42 Ca 0.09 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.20 1i6d s ASP 42 Cb -0.17 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1i6d s ASP 42 CO -0.28 -2.14 0.00 0.61 0.21 0.00 0.00 175.17 173.57 1i6d n GLY 43 N 5.73 1.28 3.70 0.21 0.00 -1.26 -5.14 105.19 109.71 1i6d n GLY 43 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 3.19 -0.82 1.61 5.36 -0.97 -4.88 117.98 121.47 1i6d s PHE 44 Ca 0.00 0.21 -0.26 0.00 -0.96 0.00 0.00 56.93 55.92 1i6d s PHE 44 Cb 0.00 -1.79 0.03 0.00 -0.34 0.00 0.00 43.02 40.92 1i6d s PHE 44 CO 0.00 0.49 1.39 1.21 -1.46 0.00 0.00 175.22 176.85 1i6d s ASN 45 N -0.99 6.17 0.72 6.13 2.47 -1.26 -4.96 114.94 123.21 1i6d s ASN 45 Ca 0.14 -0.70 -0.11 0.00 0.42 0.00 0.00 52.86 52.61 1i6d s ASN 45 Cb -0.11 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.15 1i6d s ASN 45 CO 0.04 -1.81 1.10 -0.31 -3.72 0.00 0.00 177.10 172.40 1i6d s TYR 46 N 5.88 3.27 0.38 0.43 2.02 -1.26 -5.08 117.35 122.99 1i6d s TYR 46 Ca 0.42 1.03 -0.25 0.00 -0.37 0.00 0.00 57.07 57.90 1i6d s TYR 46 Cb -0.06 -3.10 -0.09 0.00 -0.40 0.00 0.00 41.96 38.31 1i6d s TYR 46 CO 0.07 -1.25 1.06 -1.54 -1.57 0.00 0.00 175.55 172.33 1i6d s SER 47 N -4.35 6.79 0.20 2.29 1.04 -1.26 -4.99 113.70 113.42 1i6d s SER 47 Ca 0.59 2.09 -0.10 0.00 0.48 0.00 0.00 55.95 59.00 1i6d s SER 47 Cb -0.11 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.65 1i6d s SER 47 CO 0.52 -0.47 1.76 0.44 0.98 0.00 0.00 173.24 176.47 1i6d h ASP 48 N 2.67 0.30 -0.46 7.02 3.32 -1.98 -2.36 116.42 124.92 1i6d h ASP 48 Ca -0.48 0.06 0.09 0.00 0.02 0.00 0.00 57.03 56.72 1i6d h ASP 48 Cb 1.22 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1i6d h ASP 48 CO 0.63 0.19 0.32 -0.65 -1.72 0.00 0.00 179.24 178.00 1i6d h PRO 49 N 0.46 0.22 -0.30 3.56 0.11 -1.85 0.74 132.00 134.94 1i6d h PRO 49 Ca 0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 1i6d h PRO 49 Cb 0.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1i6d h PRO 49 CO -0.25 0.15 -0.01 1.98 -0.21 0.00 0.00 178.00 179.66 1i6d h MET 50 N 0.23 0.54 -0.35 1.05 4.05 -1.78 -2.79 114.93 115.88 1i6d h MET 50 Ca 0.21 -0.18 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1i6d h MET 50 Cb 0.54 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1i6d h MET 50 CO -0.04 0.69 -0.08 0.87 0.23 0.00 0.00 176.91 178.58 1i6d h LYS 51 N 0.33 0.67 -0.27 0.39 1.57 -1.11 -3.13 116.57 115.01 1i6d h LYS 51 Ca 0.08 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1i6d h LYS 51 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1i6d h LYS 51 CO 0.02 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.73 1i6d n ALA 52 N -2.42 2.35 0.09 3.86 0.00 0.23 -4.39 120.51 120.22 1i6d n ALA 52 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1i6d n ALA 52 Cb 0.34 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 0.04 -0.29 -2.61 0.00 6.17 -1.43 -3.49 115.15 113.54 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 0.14 0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.16 1i6d h HIS 53 CO 0.00 0.05 0.00 0.41 0.71 0.00 0.00 177.93 179.10 1i6d n GLY 54 N 0.57 -1.74 0.00 5.26 0.00 -1.26 -5.13 105.19 102.89 1i6d n GLY 54 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.16 -1.58 3.26 -0.02 0.00 -1.26 -5.07 105.19 100.36 1i6d n GLY 55 Ca 0.00 -1.06 -0.22 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 -1.36 2.30 -1.38 1.61 1.01 -1.26 -1.46 116.67 116.13 1i6d s ASP 56 Ca 0.00 -0.69 -0.16 0.00 0.71 0.00 0.00 52.55 52.42 1i6d s ASP 56 Cb 0.00 -0.11 0.06 0.00 1.01 0.00 0.00 42.92 43.88 1i6d s ASP 56 CO 0.00 0.01 1.98 0.79 0.21 0.00 0.00 175.17 178.16 1i6d n TRP 57 N 1.06 4.08 -1.41 4.23 5.03 0.75 -4.87 117.44 126.31 1i6d n TRP 57 Ca -0.19 -2.92 -0.32 0.00 3.03 0.00 0.00 57.50 57.10 1i6d n TRP 57 Cb 0.54 -2.58 0.08 0.00 -1.03 0.00 0.00 31.31 28.32 1i6d n TRP 57 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1i6d s THR 58 N 3.59 3.15 0.22 -0.99 -4.23 -1.26 -0.37 115.64 115.75 1i6d s THR 58 Ca 0.50 0.44 -0.09 0.00 -1.18 0.00 0.00 61.69 61.36 1i6d s THR 58 Cb 0.09 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 71.20 1i6d s THR 58 CO -0.01 -0.43 1.70 1.55 -0.54 0.00 0.00 174.62 176.90 1i6d h PRO 59 N -0.72 0.26 -0.23 3.99 0.13 -1.95 0.36 132.00 133.84 1i6d h PRO 59 Ca -0.45 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1i6d h PRO 59 Cb 1.24 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1i6d h PRO 59 CO 0.51 0.17 -0.19 1.05 -0.23 0.00 0.00 178.00 179.31 1i6d h GLU 60 N 0.27 -0.19 -0.48 0.86 4.11 -1.99 -1.06 114.58 116.09 1i6d h GLU 60 Ca 0.34 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.74 1i6d h GLU 60 Cb 0.51 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1i6d h GLU 60 CO -0.42 -0.13 0.16 0.00 0.07 0.00 0.00 179.01 178.69 1i6d h ALA 61 N 0.90 0.63 -0.16 1.06 0.00 -1.81 -2.39 119.26 117.50 1i6d h ALA 61 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1i6d h ALA 61 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1i6d h ALA 61 CO -0.35 0.27 0.09 -0.07 0.00 0.00 0.00 179.25 179.19 1i6d h LEU 62 N 0.64 0.14 -1.33 0.00 3.38 -0.97 -1.20 115.31 115.96 1i6d h LEU 62 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1i6d h LEU 62 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1i6d h LEU 62 CO -0.01 0.11 0.17 0.06 0.09 0.00 0.00 178.44 178.86 1i6d h GLN 63 N 0.19 0.62 0.54 1.13 -0.00 -1.21 0.19 115.11 116.57 1i6d h GLN 63 Ca 0.06 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 1i6d h GLN 63 Cb 0.00 -0.12 0.01 0.00 -0.00 0.00 0.00 27.48 27.37 1i6d h GLN 63 CO -0.03 0.52 -0.26 0.93 -0.00 0.00 0.00 178.83 179.99 1i6d h GLU 64 N 0.62 -0.69 -0.82 0.06 5.08 -1.43 -2.11 114.58 115.30 1i6d h GLU 64 Ca 0.15 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1i6d h GLU 64 Cb 0.14 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1i6d h GLU 64 CO -0.01 -0.44 0.53 0.35 -1.00 0.00 0.00 179.01 178.43 1i6d h PHE 65 N -0.76 0.99 0.00 4.33 3.57 -1.06 -2.45 116.94 121.56 1i6d h PHE 65 Ca -0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6d h PHE 65 Cb 0.57 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1i6d h PHE 65 CO -0.03 0.58 0.00 1.28 -2.23 0.00 0.00 178.31 177.91 1i6d n LEU 66 N -4.56 0.23 0.08 0.59 4.77 0.66 -1.28 117.00 117.48 1i6d n LEU 66 Ca 0.10 0.54 -0.09 0.00 -0.03 0.00 0.00 56.01 56.53 1i6d n LEU 66 Cb 0.07 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1i6d n LEU 66 CO 0.34 -0.24 0.31 0.74 -1.33 0.00 0.00 177.39 177.21 1i6d h THR 67 N 0.00 0.53 -2.82 -5.08 2.02 -0.93 0.20 112.91 106.84 1i6d h THR 67 Ca 0.00 -0.98 -0.46 0.00 0.77 0.00 0.00 66.41 65.74 1i6d h THR 67 Cb 0.39 0.91 -0.39 0.00 -1.74 0.00 0.00 68.15 67.31 1i6d h THR 67 CO 0.00 0.14 -0.74 0.21 0.37 0.00 0.00 175.52 175.50 1i6d s ASN 68 N -5.33 2.69 0.21 4.18 3.84 -0.98 -4.12 114.94 115.43 1i6d s ASN 68 Ca -0.10 -0.86 0.05 0.00 0.21 0.00 0.00 52.86 52.16 1i6d s ASN 68 Cb 0.00 -0.16 0.14 0.00 -0.55 0.00 0.00 41.25 40.68 1i6d s ASN 68 CO 0.37 -0.39 1.48 1.55 -2.79 0.00 0.00 177.10 177.32 1i6d h PRO 69 N 8.39 0.16 -0.41 0.43 0.13 -1.41 -3.02 132.00 136.27 1i6d h PRO 69 Ca -0.17 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1i6d h PRO 69 Cb 1.09 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1i6d h PRO 69 CO 0.35 0.83 -0.05 0.87 -0.23 0.00 0.00 178.00 179.78 1i6d h LYS 70 N 0.10 0.69 -0.28 0.86 6.56 -1.85 -1.36 116.57 121.29 1i6d h LYS 70 Ca -0.02 -0.19 -0.06 0.00 -1.06 0.00 0.00 60.65 59.32 1i6d h LYS 70 Cb 1.31 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1i6d h LYS 70 CO 0.11 0.74 -0.04 0.00 -2.06 0.00 0.00 179.45 178.20 1i6d h ALA 71 N 1.31 0.38 -0.05 3.86 0.00 -1.97 -3.27 119.26 119.52 1i6d h ALA 71 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1i6d h ALA 71 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1i6d h ALA 71 CO 0.02 0.17 -0.29 0.28 0.00 0.00 0.00 179.25 179.43 1i6d h VAL 72 N 0.29 1.44 -3.45 0.00 2.07 -1.54 -3.39 116.25 111.67 1i6d h VAL 72 Ca 0.07 -1.74 -0.70 0.00 0.82 0.00 0.00 66.70 65.15 1i6d h VAL 72 Cb 0.50 2.39 -0.33 0.00 -1.52 0.00 0.00 31.29 32.33 1i6d h VAL 72 CO 0.02 0.49 -0.47 -0.69 0.02 0.00 0.00 177.57 176.94 1i6d s VAL 73 N -3.58 3.60 -0.61 2.57 1.01 -0.52 -5.08 120.40 117.80 1i6d s VAL 73 Ca -0.15 -2.13 -0.27 0.00 0.00 0.00 0.00 61.98 59.43 1i6d s VAL 73 Cb 0.03 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1i6d s VAL 73 CO 0.76 -0.74 1.44 -1.59 0.00 0.00 0.00 175.10 174.97 1i6d s LYS 74 N 1.01 3.20 0.00 2.72 -2.85 -1.23 -2.89 119.74 119.69 1i6d s LYS 74 Ca 0.09 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.38 1i6d s LYS 74 Cb -0.23 -4.17 0.00 0.00 -2.06 0.00 0.00 37.83 31.37 1i6d s LYS 74 CO -0.03 -2.08 0.00 0.41 0.10 0.00 0.00 175.35 173.75 1i6d n GLY 75 N 5.34 0.98 3.85 0.59 0.00 -1.26 -4.74 105.19 109.93 1i6d n GLY 75 Ca 0.11 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.22 4.61 -0.88 2.61 -1.32 -1.14 -4.53 115.64 112.77 1i6d s THR 76 Ca 0.00 1.05 0.16 0.00 -1.21 0.00 0.00 61.69 61.69 1i6d s THR 76 Cb 0.00 -3.64 0.14 0.00 -1.51 0.00 0.00 72.50 67.49 1i6d s THR 76 CO 0.00 -0.33 1.49 0.29 -2.21 0.00 0.00 174.62 173.86 1i6d n LYS 77 N -0.73 0.04 -2.20 7.08 5.02 -1.26 -4.82 118.16 121.30 1i6d n LYS 77 Ca 0.04 0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 56.24 1i6d n LYS 77 Cb 0.54 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1i6d n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1i6d s MET 78 N -3.07 3.06 -1.26 1.97 1.75 -1.26 -4.94 119.30 115.53 1i6d s MET 78 Ca 0.06 0.66 -0.16 0.00 -1.25 0.00 0.00 55.69 54.99 1i6d s MET 78 Cb 0.09 -4.24 0.11 0.00 2.84 0.00 0.00 34.83 33.64 1i6d s MET 78 CO 0.27 -2.22 1.61 0.00 -0.65 0.00 0.00 175.02 174.03 1i6d n ALA 79 N 10.85 3.71 -3.73 4.11 0.00 -1.26 -4.78 120.51 129.41 1i6d n ALA 79 Ca 0.17 -4.02 -0.15 0.00 0.00 0.00 0.00 53.44 49.44 1i6d n ALA 79 Cb 0.50 -3.37 -0.16 0.00 0.00 0.00 0.00 19.45 16.42 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 3.05 -0.00 -0.05 0.00 5.36 -1.26 -5.10 117.98 119.98 1i6d s PHE 80 Ca 0.49 0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.60 1i6d s PHE 80 Cb 0.01 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.46 1i6d s PHE 80 CO 0.05 -0.10 0.23 0.00 -1.46 0.00 0.00 175.22 173.94 1i6d h ALA 81 N 7.24 -0.21 0.00 11.12 0.00 -1.93 -3.40 119.26 132.08 1i6d h ALA 81 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1i6d h ALA 81 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i6d h ALA 81 CO 0.47 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1i6d n GLY 82 N 1.29 1.71 3.33 0.00 0.00 -1.26 -4.38 105.19 105.88 1i6d n GLY 82 Ca -0.02 -0.59 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 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 6.22 0.18 0.99 1.43 0.70 -4.99 118.68 123.20 1i6d s LEU 83 Ca 0.00 -1.98 -0.07 0.00 -1.03 0.00 0.00 54.13 51.05 1i6d s LEU 83 Cb 0.00 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 44.07 1i6d s LEU 83 CO 0.00 -0.82 1.53 1.55 0.23 0.00 0.00 176.35 178.84 1i6d h PRO 84 N 8.65 0.77 -6.21 1.29 0.13 -1.91 -3.41 132.00 131.31 1i6d h PRO 84 Ca -0.19 -0.40 -0.56 0.00 -0.87 0.00 0.00 66.00 63.98 1i6d h PRO 84 Cb 1.08 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1i6d h PRO 84 CO 0.98 1.03 0.64 0.15 -0.23 0.00 0.00 178.00 180.56 1i6d s LYS 85 N -4.33 4.37 0.50 0.86 1.02 -1.26 -4.98 119.74 115.92 1i6d s LYS 85 Ca -0.09 1.39 0.20 0.00 0.02 0.00 0.00 55.97 57.48 1i6d s LYS 85 Cb 0.12 -3.57 1.25 0.00 -0.52 0.00 0.00 37.83 35.11 1i6d s LYS 85 CO 0.86 -0.41 2.01 0.97 -0.92 0.00 0.00 175.35 177.86 1i6d h ILE 86 N 5.20 0.83 -0.29 2.17 2.10 -2.00 -2.68 117.51 122.83 1i6d h ILE 86 Ca -0.27 -0.05 0.07 0.00 1.08 0.00 0.00 64.86 65.68 1i6d h ILE 86 Cb 1.12 0.68 -0.07 0.00 -1.09 0.00 0.00 36.82 37.46 1i6d h ILE 86 CO 0.89 0.03 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.51 1i6d h GLU 87 N 0.14 -0.10 -1.00 2.19 5.08 -1.94 0.64 114.58 119.60 1i6d h GLU 87 Ca 0.22 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1i6d h GLU 87 Cb 0.69 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1i6d h GLU 87 CO -0.03 -0.07 0.64 -0.44 -1.00 0.00 0.00 179.01 178.12 1i6d h ASP 88 N -0.11 1.01 0.70 1.42 3.32 -1.81 -0.35 116.42 120.60 1i6d h ASP 88 Ca 0.15 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1i6d h ASP 88 Cb 0.34 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1i6d h ASP 88 CO -0.36 0.63 -0.33 0.03 -1.72 0.00 0.00 179.24 177.48 1i6d h ARG 89 N 1.14 -0.90 -1.00 3.56 3.08 -1.27 -2.13 114.38 116.86 1i6d h ARG 89 Ca 0.44 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.59 1i6d h ARG 89 Cb 0.23 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1i6d h ARG 89 CO -0.19 -0.57 0.65 0.00 -1.07 0.00 0.00 179.97 178.80 1i6d h ALA 90 N -0.87 1.34 -0.05 0.04 0.00 -0.91 -1.31 119.26 117.50 1i6d h ALA 90 Ca -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1i6d h ALA 90 Cb 0.75 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1i6d h ALA 90 CO 0.16 0.57 -0.08 -0.91 0.00 0.00 0.00 179.25 178.98 1i6d h ASN 91 N 1.28 -0.25 -0.60 0.00 2.35 -0.74 -1.21 115.58 116.40 1i6d h ASN 91 Ca 0.39 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.20 1i6d h ASN 91 Cb -0.02 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1i6d h ASN 91 CO -0.12 -0.12 0.39 0.25 -1.65 0.00 0.00 177.43 176.19 1i6d h LEU 92 N -0.12 0.67 -0.50 1.61 6.46 -1.29 -1.99 115.31 120.14 1i6d h LEU 92 Ca 0.05 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1i6d h LEU 92 Cb 0.19 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 1i6d h LEU 92 CO -0.12 0.48 0.31 0.40 -0.62 0.00 0.00 178.44 178.89 1i6d h ILE 93 N 0.80 1.08 -0.64 4.05 2.04 -1.21 -0.05 117.51 123.57 1i6d h ILE 93 Ca 0.22 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1i6d h ILE 93 Cb -0.07 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.32 1i6d h ILE 93 CO -0.06 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.42 1i6d h ALA 94 N 1.21 0.83 -0.35 1.87 0.00 -1.19 -1.75 119.26 119.88 1i6d h ALA 94 Ca 0.20 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1i6d h ALA 94 Cb -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1i6d h ALA 94 CO -0.07 -0.24 0.20 -0.92 0.00 0.00 0.00 179.25 178.22 1i6d h TYR 95 N 0.36 0.47 -0.87 0.00 3.20 -0.97 -1.86 116.97 117.30 1i6d h TYR 95 Ca 0.34 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.29 1i6d h TYR 95 Cb 0.47 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 1i6d h TYR 95 CO -0.20 0.36 0.53 -0.07 -1.64 0.00 0.00 178.16 177.14 1i6d h LEU 96 N 0.45 0.78 -0.48 2.82 3.38 -0.92 -1.77 115.31 119.57 1i6d h LEU 96 Ca 0.12 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1i6d h LEU 96 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1i6d h LEU 96 CO -0.02 0.46 0.28 -0.33 0.09 0.00 0.00 178.44 178.92 1i6d h GLU 97 N 0.90 0.55 0.00 1.13 5.08 -1.27 -2.92 114.58 118.06 1i6d h GLU 97 Ca 0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1i6d h GLU 97 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1i6d h GLU 97 CO -0.22 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.56 1i6d n GLY 98 N -1.23 -0.75 2.45 -3.84 0.00 -0.71 -4.27 105.19 96.84 1i6d n GLY 98 Ca 0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 1.06 0.00 1.61 1.13 -0.69 -5.04 117.38 114.94 1i6d n GLN 99 Ca 0.00 -3.71 0.11 0.00 -1.94 0.00 0.00 57.00 51.46 1i6d n GLN 99 Cb 0.00 -1.77 0.09 0.00 0.11 0.00 0.00 30.24 28.67 1i6d n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56