#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6e n ALA 2 N 0.00 4.23 -2.77 -5.12 0.00 -1.26 -2.59 120.51 112.99 1i6e n ALA 2 Ca 0.00 -4.78 -0.38 0.00 0.00 0.00 0.00 53.44 48.28 1i6e n ALA 2 Cb 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 1i6e n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6e s ASP 3 N -2.34 5.68 0.36 0.00 -1.08 -1.26 -4.83 116.67 113.20 1i6e s ASP 3 Ca 0.38 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 52.34 1i6e s ASP 3 Cb 0.13 -2.04 0.67 0.00 -1.46 0.00 0.00 42.92 40.22 1i6e s ASP 3 CO 0.00 -0.10 1.76 1.55 0.52 0.00 0.00 175.17 178.91 1i6e h PRO 4 N 8.34 0.00 -0.21 4.34 0.13 -1.85 -1.23 132.00 141.51 1i6e h PRO 4 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1i6e h PRO 4 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1i6e h PRO 4 CO 0.58 0.42 0.03 0.00 -0.23 0.00 0.00 178.00 178.80 1i6e h ALA 5 N 1.58 0.29 -0.78 -0.56 0.00 -1.96 -1.25 119.26 116.58 1i6e h ALA 5 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1i6e h ALA 5 Cb 0.81 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1i6e h ALA 5 CO 0.05 -0.04 0.52 0.00 0.00 0.00 0.00 179.25 179.79 1i6e h ALA 6 N 0.84 1.49 -0.65 0.00 0.00 -1.93 -3.18 119.26 115.83 1i6e h ALA 6 Ca 0.07 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1i6e h ALA 6 Cb 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1i6e h ALA 6 CO 0.00 0.44 0.43 0.78 0.00 0.00 0.00 179.25 180.91 1i6e h GLY 7 N 1.00 0.83 0.92 0.00 0.00 -1.05 -1.38 103.07 103.39 1i6e h GLY 7 Ca 0.30 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1i6e h GLY 7 CO -0.08 0.21 0.47 -2.09 0.00 0.00 0.00 176.54 175.05 1i6e h GLU 8 N 0.68 0.90 -0.63 4.80 4.81 -1.21 0.12 114.58 124.05 1i6e h GLU 8 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1i6e h GLU 8 Cb 0.22 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1i6e h GLU 8 CO -0.08 0.59 0.40 0.87 -0.73 0.00 0.00 179.01 180.06 1i6e h LYS 9 N 0.93 0.84 -0.47 1.92 1.57 -1.46 -1.99 116.57 117.91 1i6e h LYS 9 Ca 0.28 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1i6e h LYS 9 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1i6e h LYS 9 CO -0.09 0.58 0.28 0.28 -0.57 0.00 0.00 179.45 179.92 1i6e h VAL 10 N 0.85 1.15 -0.21 0.50 2.07 -1.21 -2.99 116.25 116.42 1i6e h VAL 10 Ca 0.23 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1i6e h VAL 10 Cb -0.06 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1i6e h VAL 10 CO -0.05 0.16 0.20 0.15 0.02 0.00 0.00 177.57 178.05 1i6e h PHE 11 N 0.62 0.00 -1.21 1.57 3.04 -0.61 -2.37 116.94 117.98 1i6e h PHE 11 Ca 0.17 0.00 0.35 0.00 3.98 0.00 0.00 57.97 62.47 1i6e h PHE 11 Cb 0.01 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.43 1i6e h PHE 11 CO -0.03 0.00 0.82 0.78 -2.02 0.00 0.00 178.31 177.86 1i6e h GLY 12 N 0.00 0.82 1.32 2.40 0.00 -1.20 0.78 103.07 107.18 1i6e h GLY 12 Ca 0.10 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1i6e h GLY 12 CO -0.00 -0.16 0.41 0.50 0.00 0.00 0.00 176.54 177.29 1i6e h LYS 13 N 0.18 0.73 0.00 4.80 1.57 -1.58 -3.12 116.57 119.14 1i6e h LYS 13 Ca 0.67 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1i6e h LYS 13 Cb 2.14 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 1i6e h LYS 13 CO -0.23 0.49 -0.10 0.00 -0.57 0.00 0.00 179.45 179.04 1i6e n LYS 15 N -3.07 2.12 0.16 0.00 5.02 -0.64 -2.33 118.16 119.42 1i6e n LYS 15 Ca 0.04 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 1i6e n LYS 15 Cb 0.54 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1i6e n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i6e n ALA 16 N 6.28 0.67 -0.05 7.82 0.00 -1.26 -4.95 120.51 129.01 1i6e n ALA 16 Ca 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1i6e n ALA 16 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1i6e n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i6e s HIS 18 N -3.94 2.82 -0.08 0.00 4.02 -0.98 -1.65 115.29 115.48 1i6e s HIS 18 Ca -0.13 -0.15 -0.00 0.00 1.02 0.00 0.00 55.06 55.80 1i6e s HIS 18 Cb 0.06 -1.70 0.02 0.00 -1.02 0.00 0.00 32.58 29.94 1i6e s HIS 18 CO 0.80 0.19 -0.06 0.15 1.02 0.00 0.00 174.74 176.84 1i6e s LYS 19 N -0.58 1.21 0.05 1.40 1.02 -1.25 -4.35 119.74 117.24 1i6e s LYS 19 Ca 0.08 -0.16 0.19 0.00 0.02 0.00 0.00 55.97 56.10 1i6e s LYS 19 Cb -0.12 -1.29 0.81 0.00 -0.52 0.00 0.00 37.83 36.72 1i6e s LYS 19 CO 0.02 -0.20 1.61 1.28 -0.92 0.00 0.00 175.35 177.13 1i6e n LEU 20 N 4.68 0.14 -3.55 3.17 4.77 -1.26 -3.83 117.00 121.12 1i6e n LEU 20 Ca -0.15 0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 1i6e n LEU 20 Cb 0.50 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1i6e n LEU 20 CO 0.17 -0.24 1.46 0.47 -1.33 0.00 0.00 177.39 177.92 1i6e n ASP 21 N -1.65 7.40 -0.90 -1.43 8.00 -1.26 -4.43 116.55 122.27 1i6e n ASP 21 Ca 0.04 -3.70 -0.12 0.00 0.71 0.00 0.00 54.79 51.72 1i6e n ASP 21 Cb 0.23 -1.16 -0.05 0.00 -0.02 0.00 0.00 41.12 40.12 1i6e n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6e n GLY 22 N -0.10 1.12 3.63 0.44 0.00 -1.26 -5.00 105.19 104.02 1i6e n GLY 22 Ca 0.48 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 1i6e n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6e s ASN 23 N -2.44 5.62 -0.38 1.61 0.01 -1.25 -4.90 114.94 113.21 1i6e s ASN 23 Ca 0.00 0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.20 1i6e s ASN 23 Cb 0.00 -1.96 0.09 0.00 0.41 0.00 0.00 41.25 39.79 1i6e s ASN 23 CO 0.00 0.17 0.15 -1.81 -1.51 0.00 0.00 177.10 174.10 1i6e s ASP 24 N 0.41 5.17 0.00 -1.22 1.11 -1.26 -3.58 116.67 117.29 1i6e s ASP 24 Ca 0.03 -1.84 0.00 0.00 0.18 0.00 0.00 52.55 50.92 1i6e s ASP 24 Cb -0.12 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.07 1i6e s ASP 24 CO 0.00 -0.47 0.00 0.61 1.18 0.00 0.00 175.17 176.49 1i6e n GLY 25 N 4.60 0.43 0.11 0.21 0.00 -1.26 -4.96 105.19 104.32 1i6e n GLY 25 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 1i6e n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6e h VAL 26 N 0.00 1.46 -1.71 1.61 2.07 -1.85 -3.46 116.25 114.37 1i6e h VAL 26 Ca 0.00 -1.69 -0.49 0.00 0.82 0.00 0.00 66.70 65.34 1i6e h VAL 26 Cb 0.00 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1i6e h VAL 26 CO 0.00 0.47 -0.41 -0.83 0.02 0.00 0.00 177.57 176.82 1i6e s GLY 27 N -3.72 1.91 1.05 2.17 0.00 -0.66 -5.02 107.32 103.05 1i6e s GLY 27 Ca -0.15 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.69 1i6e s GLY 27 CO 0.75 -1.61 1.13 2.56 0.00 0.00 0.00 173.10 175.92 1i6e s PRO 28 N -4.06 0.04 -0.05 2.90 0.04 -1.26 -4.51 135.00 128.09 1i6e s PRO 28 Ca 0.44 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1i6e s PRO 28 Cb -0.05 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1i6e s PRO 28 CO 0.27 -2.93 1.47 -3.38 0.04 0.00 0.00 177.00 172.47 1i6e s HIS 29 N -3.12 2.55 -2.12 0.56 -3.43 -1.24 -4.10 115.29 104.39 1i6e s HIS 29 Ca 0.67 0.63 0.16 0.00 -0.80 0.00 0.00 55.06 55.72 1i6e s HIS 29 Cb -0.14 -3.73 0.50 0.00 -1.43 0.00 0.00 32.58 27.78 1i6e s HIS 29 CO 0.56 -2.81 1.39 1.28 -2.00 0.00 0.00 174.74 173.16 1i6e n LEU 30 N 6.22 2.03 -4.70 5.38 4.77 -1.25 -4.89 117.00 124.55 1i6e n LEU 30 Ca 0.15 -0.95 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1i6e n LEU 30 Cb 0.43 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1i6e n LEU 30 CO 0.59 0.48 1.26 0.54 -1.33 0.00 0.00 177.39 178.93 1i6e s ASN 31 N -1.23 6.62 -0.26 -1.43 2.20 -1.26 -3.44 114.94 116.15 1i6e s ASN 31 Ca 0.29 2.52 0.00 0.00 -0.94 0.00 0.00 52.86 54.73 1i6e s ASN 31 Cb 0.16 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.83 1i6e s ASN 31 CO 0.22 -0.84 0.00 0.61 -2.94 0.00 0.00 177.10 174.15 1i6e n GLY 32 N 3.85 0.45 0.12 0.45 0.00 0.02 -4.94 105.19 105.13 1i6e n GLY 32 Ca 0.15 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 1i6e n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i6e h VAL 33 N 0.00 1.16 -2.93 1.61 3.04 -1.80 -3.38 116.25 113.94 1i6e h VAL 33 Ca -0.06 -2.57 -0.55 0.00 -1.01 0.00 0.00 66.70 62.52 1i6e h VAL 33 Cb 0.54 2.53 -0.07 0.00 -2.01 0.00 0.00 31.29 32.28 1i6e h VAL 33 CO 0.08 0.65 1.05 -0.69 -1.01 0.00 0.00 177.57 177.65 1i6e s VAL 34 N -2.93 3.87 0.00 1.51 1.01 -1.26 -1.31 120.40 121.28 1i6e s VAL 34 Ca 0.03 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1i6e s VAL 34 Cb 0.09 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1i6e s VAL 34 CO 0.77 -1.28 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1i6e n GLY 35 N 5.19 0.43 3.78 4.51 0.00 0.18 -4.98 105.19 114.30 1i6e n GLY 35 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1i6e n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i6e s ARG 36 N -0.87 4.60 0.36 1.61 3.52 -0.43 -4.57 118.95 123.18 1i6e s ARG 36 Ca 0.00 1.28 -0.28 0.00 -0.13 0.00 0.00 55.73 56.60 1i6e s ARG 36 Cb 0.00 -2.99 -0.11 0.00 -1.56 0.00 0.00 34.95 30.29 1i6e s ARG 36 CO 0.00 0.39 1.52 0.99 -0.81 0.00 0.00 175.30 177.39 1i6e s THR 37 N -1.44 2.01 0.00 4.11 2.01 -1.26 -0.21 115.64 120.87 1i6e s THR 37 Ca 0.45 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1i6e s THR 37 Cb -0.21 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 1i6e s THR 37 CO 0.26 0.00 1.58 -0.69 -0.69 0.00 0.00 174.62 175.08 1i6e s VAL 38 N -0.91 3.43 -1.08 3.82 1.01 -0.69 -1.94 120.40 124.04 1i6e s VAL 38 Ca 0.55 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 1i6e s VAL 38 Cb -0.47 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1i6e s VAL 38 CO 0.61 -0.03 0.90 0.00 0.00 0.00 0.00 175.10 176.58 1i6e n ALA 39 N 6.09 -1.77 0.43 5.51 0.00 -1.26 -4.57 120.51 124.94 1i6e n ALA 39 Ca 0.16 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1i6e n ALA 39 Cb 0.42 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.37 1i6e n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6e n GLY 40 N -1.15 -1.00 3.51 0.00 0.00 -0.82 -4.84 105.19 100.89 1i6e n GLY 40 Ca -0.24 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1i6e n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6e s VAL 41 N -3.29 4.08 -0.41 1.61 1.01 -1.26 -4.99 120.40 117.15 1i6e s VAL 41 Ca -0.01 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1i6e s VAL 41 Cb 0.15 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 1i6e s VAL 41 CO 0.89 -1.71 1.70 -0.62 0.00 0.00 0.00 175.10 175.37 1i6e s ASP 42 N 3.96 5.89 0.00 3.32 2.15 -1.26 -2.34 116.67 128.39 1i6e s ASP 42 Ca 0.33 0.96 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1i6e s ASP 42 Cb -0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1i6e s ASP 42 CO 0.05 -1.77 0.00 0.61 -0.17 0.00 0.00 175.17 173.89 1i6e n GLY 43 N 5.39 3.37 3.69 2.66 0.00 -1.26 -5.11 105.19 113.94 1i6e n GLY 43 Ca 0.20 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1i6e n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6e s PHE 44 N 0.00 3.54 -0.34 1.61 5.36 -0.99 -5.05 117.98 122.11 1i6e s PHE 44 Ca 0.00 1.42 -0.28 0.00 -0.96 0.00 0.00 56.93 57.12 1i6e s PHE 44 Cb 0.00 -3.02 0.02 0.00 -0.34 0.00 0.00 43.02 39.68 1i6e s PHE 44 CO 0.00 -0.10 1.02 1.21 -1.46 0.00 0.00 175.22 175.90 1i6e s ASN 45 N 1.02 6.84 0.63 6.13 2.47 -1.26 -4.86 114.94 125.91 1i6e s ASN 45 Ca 0.43 0.89 -0.04 0.00 0.42 0.00 0.00 52.86 54.56 1i6e s ASN 45 Cb -0.18 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.14 1i6e s ASN 45 CO 0.19 -0.87 0.92 -0.31 -3.72 0.00 0.00 177.10 173.30 1i6e s TYR 46 N 3.61 3.00 0.56 0.43 2.02 -1.26 -5.10 117.35 120.60 1i6e s TYR 46 Ca 0.43 0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 57.34 1i6e s TYR 46 Cb -0.12 -2.94 -0.05 0.00 -0.40 0.00 0.00 41.96 38.44 1i6e s TYR 46 CO 0.17 -1.10 1.07 -1.54 -1.57 0.00 0.00 175.55 172.57 1i6e s SER 47 N -4.43 5.88 0.23 2.29 1.04 -1.26 -4.89 113.70 112.56 1i6e s SER 47 Ca 0.57 1.92 -0.07 0.00 0.48 0.00 0.00 55.95 58.86 1i6e s SER 47 Cb -0.11 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.75 1i6e s SER 47 CO 0.43 -1.10 1.85 -0.78 0.98 0.00 0.00 173.24 174.62 1i6e h ASP 48 N 0.86 0.79 0.49 7.02 1.82 -1.99 -1.55 116.42 123.85 1i6e h ASP 48 Ca -0.48 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.12 1i6e h ASP 48 Cb 1.23 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.08 1i6e h ASP 48 CO 0.57 0.52 -0.25 1.55 -1.61 0.00 0.00 179.24 180.03 1i6e h PRO 49 N 0.92 0.00 -0.28 0.28 0.13 -1.86 -0.49 132.00 130.71 1i6e h PRO 49 Ca 0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.45 1i6e h PRO 49 Cb 0.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1i6e h PRO 49 CO -0.15 0.25 0.09 1.98 -0.23 0.00 0.00 178.00 179.93 1i6e h MET 50 N 0.00 0.43 -0.43 0.86 -1.53 -1.74 -1.75 114.93 110.77 1i6e h MET 50 Ca -0.00 -0.09 0.04 0.00 -3.44 0.00 0.00 59.70 56.21 1i6e h MET 50 Cb 0.55 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.50 1i6e h MET 50 CO 0.03 0.49 0.20 0.87 0.14 0.00 0.00 176.91 178.64 1i6e h LYS 51 N 0.29 0.39 0.00 0.39 1.57 -1.21 -3.17 116.57 114.84 1i6e h LYS 51 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1i6e h LYS 51 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1i6e h LYS 51 CO -0.00 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 1i6e n ALA 52 N -2.32 1.84 0.17 3.86 0.00 -0.20 -4.24 120.51 119.62 1i6e n ALA 52 Ca 0.03 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 1i6e n ALA 52 Cb 0.13 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1i6e n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6e h HIS 53 N 0.00 -0.37 -0.38 0.00 6.17 -1.28 -3.50 115.15 115.79 1i6e h HIS 53 Ca 0.00 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.12 1i6e h HIS 53 Cb 0.47 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 1i6e h HIS 53 CO 0.00 -0.15 -0.06 0.41 0.71 0.00 0.00 177.93 178.84 1i6e n GLY 54 N -0.91 -2.21 7.00 5.26 0.00 -1.26 -5.07 105.19 107.99 1i6e n GLY 54 Ca -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1i6e n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6e n GLY 55 N -1.32 -0.30 3.21 -0.02 0.00 -1.26 -4.56 105.19 100.95 1i6e n GLY 55 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 1i6e n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6e s ASP 56 N -4.00 1.75 -1.23 1.61 1.01 -1.26 -1.70 116.67 112.84 1i6e s ASP 56 Ca 0.00 -0.82 -0.18 0.00 0.71 0.00 0.00 52.55 52.26 1i6e s ASP 56 Cb 0.00 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.89 1i6e s ASP 56 CO 0.00 -0.20 1.96 0.79 0.21 0.00 0.00 175.17 177.92 1i6e n TRP 57 N 0.52 3.45 -1.48 4.23 7.02 0.70 -4.85 117.44 127.03 1i6e n TRP 57 Ca -0.16 -2.43 -0.31 0.00 -1.02 0.00 0.00 57.50 53.58 1i6e n TRP 57 Cb 0.57 -2.44 0.06 0.00 -2.42 0.00 0.00 31.31 27.09 1i6e n TRP 57 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1i6e s THR 58 N 5.33 3.68 0.46 -0.99 -4.23 -1.26 -0.65 115.64 117.98 1i6e s THR 58 Ca 0.55 0.57 0.15 0.00 -1.18 0.00 0.00 61.69 61.78 1i6e s THR 58 Cb 0.08 -3.18 0.32 0.00 1.34 0.00 0.00 72.50 71.06 1i6e s THR 58 CO 0.05 -0.69 2.02 1.55 -0.54 0.00 0.00 174.62 177.02 1i6e h PRO 59 N -0.77 0.29 0.23 3.99 0.13 -1.96 0.06 132.00 133.96 1i6e h PRO 59 Ca -0.44 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1i6e h PRO 59 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1i6e h PRO 59 CO 0.54 0.19 -0.11 1.49 -0.23 0.00 0.00 178.00 179.88 1i6e h GLU 60 N 0.30 -0.30 -0.67 0.86 4.22 -1.99 -2.44 114.58 114.55 1i6e h GLU 60 Ca 0.20 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.71 1i6e h GLU 60 Cb 0.43 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1i6e h GLU 60 CO -0.04 -0.03 0.40 0.00 -2.18 0.00 0.00 179.01 177.16 1i6e h ALA 61 N 0.15 0.89 -0.09 2.92 0.00 -1.80 -1.85 119.26 119.49 1i6e h ALA 61 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1i6e h ALA 61 Cb 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1i6e h ALA 61 CO 0.05 0.13 -0.07 -0.07 0.00 0.00 0.00 179.25 179.29 1i6e h LEU 62 N 0.77 -0.23 -1.31 0.00 3.38 -1.12 -1.66 115.31 115.14 1i6e h LEU 62 Ca 0.28 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 1i6e h LEU 62 Cb 0.09 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1i6e h LEU 62 CO -0.14 -0.10 -0.12 0.06 0.09 0.00 0.00 178.44 178.23 1i6e h GLN 63 N -0.09 0.31 0.61 1.13 -0.00 -1.31 0.10 115.11 115.87 1i6e h GLN 63 Ca 0.06 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 1i6e h GLN 63 Cb 0.18 -0.04 0.01 0.00 -0.00 0.00 0.00 27.48 27.62 1i6e h GLN 63 CO -0.14 0.45 -0.29 0.93 -0.00 0.00 0.00 178.83 179.77 1i6e h GLU 64 N 0.30 -0.79 -0.86 0.06 4.39 -1.36 -2.00 114.58 114.31 1i6e h GLU 64 Ca 0.06 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1i6e h GLU 64 Cb 0.41 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1i6e h GLU 64 CO 0.02 -0.51 0.57 0.35 -1.16 0.00 0.00 179.01 178.29 1i6e h PHE 65 N -0.89 1.07 0.00 4.33 3.57 -1.18 -1.94 116.94 121.90 1i6e h PHE 65 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1i6e h PHE 65 Cb 0.66 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1i6e h PHE 65 CO -0.02 0.67 0.00 1.28 -2.23 0.00 0.00 178.31 178.01 1i6e n LEU 66 N -4.50 0.72 0.14 0.59 4.77 0.34 -1.82 117.00 117.24 1i6e n LEU 66 Ca 0.09 0.62 -0.06 0.00 -0.03 0.00 0.00 56.01 56.63 1i6e n LEU 66 Cb 0.03 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1i6e n LEU 66 CO 0.36 -0.37 0.32 0.74 -1.33 0.00 0.00 177.39 177.11 1i6e h THR 67 N 0.00 0.00 -3.14 -5.08 2.02 -1.03 0.12 112.91 105.80 1i6e h THR 67 Ca 0.00 -0.17 -0.57 0.00 0.77 0.00 0.00 66.41 66.44 1i6e h THR 67 Cb 0.54 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.55 1i6e h THR 67 CO 0.00 0.00 -0.76 0.20 0.37 0.00 0.00 175.52 175.33 1i6e s ASN 68 N -3.38 3.83 -0.07 4.18 0.01 -0.76 -3.84 114.94 114.91 1i6e s ASN 68 Ca -0.06 -1.48 -0.25 0.00 -0.71 0.00 0.00 52.86 50.36 1i6e s ASN 68 Cb 0.01 -0.78 -0.21 0.00 0.41 0.00 0.00 41.25 40.68 1i6e s ASN 68 CO 0.17 -0.40 0.97 1.55 -1.51 0.00 0.00 177.10 177.88 1i6e h PRO 69 N 8.14 -0.04 0.00 -0.60 0.13 -1.61 -2.72 132.00 135.29 1i6e h PRO 69 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1i6e h PRO 69 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1i6e h PRO 69 CO 0.45 0.61 0.00 0.87 -0.23 0.00 0.00 178.00 179.70 1i6e h LYS 70 N -0.76 0.00 -0.06 0.86 1.57 -1.86 -1.30 116.57 115.01 1i6e h LYS 70 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1i6e h LYS 70 Cb 0.67 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1i6e h LYS 70 CO 0.01 0.00 -0.62 0.00 -0.57 0.00 0.00 179.45 178.27 1i6e h ALA 71 N 2.04 0.15 0.42 3.86 0.00 -1.98 -3.30 119.26 120.45 1i6e h ALA 71 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1i6e h ALA 71 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1i6e h ALA 71 CO 0.00 0.42 -0.20 0.28 0.00 0.00 0.00 179.25 179.75 1i6e h VAL 72 N 0.09 0.38 -3.26 0.00 2.07 -1.40 -3.39 116.25 110.75 1i6e h VAL 72 Ca -0.06 -0.59 -0.74 0.00 0.82 0.00 0.00 66.70 66.13 1i6e h VAL 72 Cb 1.28 0.58 -0.25 0.00 -1.52 0.00 0.00 31.29 31.38 1i6e h VAL 72 CO 0.12 0.07 -0.33 -0.69 0.02 0.00 0.00 177.57 176.77 1i6e s VAL 73 N -4.21 4.86 -0.58 2.57 1.01 -0.50 -5.05 120.40 118.50 1i6e s VAL 73 Ca -0.13 -1.39 -0.27 0.00 0.00 0.00 0.00 61.98 60.20 1i6e s VAL 73 Cb 0.01 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1i6e s VAL 73 CO 0.44 -0.69 1.65 -0.75 0.00 0.00 0.00 175.10 175.75 1i6e s LYS 74 N 1.54 2.98 0.00 2.72 2.20 -1.24 -2.30 119.74 125.63 1i6e s LYS 74 Ca 0.04 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1i6e s LYS 74 Cb -0.26 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 31.80 1i6e s LYS 74 CO 0.03 -2.32 0.00 0.41 -0.36 0.00 0.00 175.35 173.11 1i6e n GLY 75 N 5.50 1.55 3.72 5.54 0.00 -1.26 -4.77 105.19 115.47 1i6e n GLY 75 Ca 0.16 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1i6e n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6e s THR 76 N -2.00 3.62 -1.90 2.61 -1.32 -0.97 -4.61 115.64 111.07 1i6e s THR 76 Ca 0.00 1.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.72 1i6e s THR 76 Cb 0.00 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 1i6e s THR 76 CO 0.00 0.14 0.76 2.29 -2.21 0.00 0.00 174.62 175.60 1i6e n LYS 77 N 3.28 0.80 -2.23 7.08 2.85 -1.26 -4.75 118.16 123.94 1i6e n LYS 77 Ca 0.08 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.95 1i6e n LYS 77 Cb 0.44 -1.04 -0.03 0.00 -0.65 0.00 0.00 35.03 33.75 1i6e n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6e s MET 78 N -1.90 2.84 -1.38 -1.58 1.75 -1.26 -4.95 119.30 112.83 1i6e s MET 78 Ca 0.00 0.21 -0.16 0.00 -1.25 0.00 0.00 55.69 54.49 1i6e s MET 78 Cb 0.00 -4.40 0.04 0.00 2.84 0.00 0.00 34.83 33.31 1i6e s MET 78 CO 0.00 -2.56 2.08 0.00 -0.65 0.00 0.00 175.02 173.88 1i6e n ALA 79 N 11.58 4.84 -2.96 4.11 0.00 -1.26 -4.77 120.51 132.04 1i6e n ALA 79 Ca 0.16 -3.83 -0.24 0.00 0.00 0.00 0.00 53.44 49.53 1i6e n ALA 79 Cb 0.51 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.24 1i6e n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1i6e s PHE 80 N 3.69 1.39 -0.02 0.00 5.36 -1.26 -5.10 117.98 122.05 1i6e s PHE 80 Ca 0.50 -0.38 -0.21 0.00 -0.96 0.00 0.00 56.93 55.87 1i6e s PHE 80 Cb 0.11 -0.96 -0.13 0.00 -0.34 0.00 0.00 43.02 41.71 1i6e s PHE 80 CO -0.03 -0.14 0.91 0.00 -1.46 0.00 0.00 175.22 174.50 1i6e h ALA 81 N 6.32 -0.59 0.00 11.12 0.00 -1.95 -3.43 119.26 130.73 1i6e h ALA 81 Ca -0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1i6e h ALA 81 Cb 1.17 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1i6e h ALA 81 CO 0.48 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1i6e n GLY 82 N -0.00 4.06 3.28 0.00 0.00 -1.26 -4.62 105.19 106.66 1i6e n GLY 82 Ca -0.09 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 44.65 1i6e n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6e s LEU 83 N 0.00 6.09 0.25 0.99 1.43 0.43 -5.00 118.68 122.87 1i6e s LEU 83 Ca 0.00 -1.90 0.00 0.00 -1.03 0.00 0.00 54.13 51.20 1i6e s LEU 83 Cb 0.00 -2.15 0.30 0.00 0.03 0.00 0.00 46.19 44.37 1i6e s LEU 83 CO 0.00 -0.79 1.65 1.55 0.23 0.00 0.00 176.35 178.99 1i6e h PRO 84 N 8.67 0.53 -6.42 1.29 0.13 -1.87 -3.39 132.00 130.93 1i6e h PRO 84 Ca -0.24 -0.24 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 1i6e h PRO 84 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i6e h PRO 84 CO 0.97 0.79 0.71 0.15 -0.23 0.00 0.00 178.00 180.39 1i6e s LYS 85 N -4.37 4.35 0.26 0.86 1.02 -1.26 -4.98 119.74 115.61 1i6e s LYS 85 Ca -0.07 1.87 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 1i6e s LYS 85 Cb 0.13 -3.45 0.36 0.00 -0.52 0.00 0.00 37.83 34.35 1i6e s LYS 85 CO 0.81 -0.43 1.90 0.97 -0.92 0.00 0.00 175.35 177.68 1i6e h ILE 86 N 4.70 1.15 -0.55 2.17 6.09 -2.00 -2.98 117.51 126.10 1i6e h ILE 86 Ca -0.39 -0.43 0.09 0.00 -1.37 0.00 0.00 64.86 62.76 1i6e h ILE 86 Cb 1.19 -0.20 -0.07 0.00 0.47 0.00 0.00 36.82 38.21 1i6e h ILE 86 CO 0.86 0.23 0.16 1.05 -3.07 0.00 0.00 178.15 177.39 1i6e h GLU 87 N 1.25 0.31 -0.60 2.19 4.11 -1.94 0.66 114.58 120.57 1i6e h GLU 87 Ca 0.41 -0.02 0.03 0.00 0.07 0.00 0.00 59.36 59.85 1i6e h GLU 87 Cb 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1i6e h GLU 87 CO -0.14 0.21 0.36 -0.44 0.07 0.00 0.00 179.01 179.07 1i6e h ASP 88 N 0.32 0.58 0.11 3.06 5.19 -1.82 0.10 116.42 123.96 1i6e h ASP 88 Ca 0.27 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1i6e h ASP 88 Cb 0.35 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1i6e h ASP 88 CO -0.31 0.40 -0.05 0.03 -3.12 0.00 0.00 179.24 176.19 1i6e h ARG 89 N 0.70 -0.14 -0.65 3.56 3.08 -1.36 -2.22 114.38 117.36 1i6e h ARG 89 Ca 0.24 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1i6e h ARG 89 Cb 0.04 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1i6e h ARG 89 CO -0.11 0.07 0.41 0.00 -1.07 0.00 0.00 179.97 179.27 1i6e h ALA 90 N 0.54 0.84 0.02 0.04 0.00 -0.87 -0.38 119.26 119.45 1i6e h ALA 90 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1i6e h ALA 90 Cb 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1i6e h ALA 90 CO 0.02 0.19 -0.26 -0.91 0.00 0.00 0.00 179.25 178.29 1i6e h ASN 91 N 0.82 -0.76 -0.42 0.00 2.35 -0.52 -0.60 115.58 116.45 1i6e h ASN 91 Ca 0.25 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 56.17 1i6e h ASN 91 Cb -0.02 0.31 -0.06 0.00 0.05 0.00 0.00 38.32 38.60 1i6e h ASN 91 CO -0.09 -0.33 0.10 0.25 -1.65 0.00 0.00 177.43 175.72 1i6e h LEU 92 N -0.41 0.05 -0.71 1.61 5.85 -1.37 -1.81 115.31 118.52 1i6e h LEU 92 Ca 0.06 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1i6e h LEU 92 Cb 0.48 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1i6e h LEU 92 CO -0.21 0.06 0.30 0.40 -0.34 0.00 0.00 178.44 178.65 1i6e h ILE 93 N 0.24 1.24 -0.73 4.05 2.04 -1.02 -0.07 117.51 123.27 1i6e h ILE 93 Ca 0.20 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.43 1i6e h ILE 93 Cb 0.24 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1i6e h ILE 93 CO -0.25 0.30 0.35 0.00 0.00 0.00 0.00 178.15 178.55 1i6e h ALA 94 N 1.14 1.02 -0.23 1.87 0.00 -1.02 0.92 119.26 122.96 1i6e h ALA 94 Ca 0.24 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1i6e h ALA 94 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i6e h ALA 94 CO -0.02 -0.09 0.14 -0.92 0.00 0.00 0.00 179.25 178.36 1i6e h TYR 95 N 0.56 0.30 -0.10 0.00 3.20 -1.05 -1.82 116.97 118.07 1i6e h TYR 95 Ca 0.37 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 1i6e h TYR 95 Cb 0.45 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1i6e h TYR 95 CO -0.12 0.23 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.43 1i6e h LEU 96 N 0.29 0.14 -0.61 2.82 3.38 -0.86 0.48 115.31 120.95 1i6e h LEU 96 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1i6e h LEU 96 Cb 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1i6e h LEU 96 CO -0.02 0.29 0.26 -0.33 0.09 0.00 0.00 178.44 178.74 1i6e h GLU 97 N 0.15 0.89 -0.80 1.13 5.08 -0.80 -3.21 114.58 117.03 1i6e h GLU 97 Ca 0.03 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1i6e h GLU 97 Cb 0.32 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1i6e h GLU 97 CO 0.02 0.74 0.47 0.78 -1.00 0.00 0.00 179.01 180.03 1i6e h GLY 98 N 0.84 1.16 -6.56 -3.84 0.00 -1.05 -3.35 103.07 90.28 1i6e h GLY 98 Ca 0.21 -0.49 -0.72 0.00 0.00 0.00 0.00 47.33 46.33 1i6e h GLY 98 CO -0.02 0.48 2.57 -1.06 0.00 0.00 0.00 176.54 178.50 1i6e n GLN 99 N -4.46 3.14 0.00 4.80 1.13 0.13 -5.07 117.38 117.05 1i6e n GLN 99 Ca 0.08 -3.04 0.00 0.00 -1.94 0.00 0.00 57.00 52.09 1i6e n GLN 99 Cb 0.06 -3.21 0.00 0.00 0.11 0.00 0.00 30.24 27.20 1i6e n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66