#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6e s ALA 2 N 0.00 2.34 -0.31 -5.12 0.00 -1.26 -4.77 121.76 112.64 1i6e s ALA 2 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 1i6e s ALA 2 Cb 0.00 -4.38 -0.03 0.00 0.00 0.00 0.00 23.12 18.71 1i6e s ALA 2 CO 0.00 -3.84 0.27 0.34 0.00 0.00 0.00 175.76 172.53 1i6e s ASP 3 N 6.22 6.10 0.37 0.00 -1.08 -1.26 -4.82 116.67 122.19 1i6e s ASP 3 Ca 0.54 -0.17 0.15 0.00 -0.52 0.00 0.00 52.55 52.55 1i6e s ASP 3 Cb -0.08 -2.15 0.70 0.00 -1.46 0.00 0.00 42.92 39.93 1i6e s ASP 3 CO 0.09 -0.20 1.78 1.55 0.52 0.00 0.00 175.17 178.92 1i6e h PRO 4 N 8.41 0.00 -0.21 4.34 0.13 -1.86 -1.81 132.00 140.99 1i6e h PRO 4 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1i6e h PRO 4 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1i6e h PRO 4 CO 0.62 0.40 0.06 0.00 -0.23 0.00 0.00 178.00 178.85 1i6e h ALA 5 N 1.60 0.28 -0.90 -0.56 0.00 -1.95 -1.05 119.26 116.68 1i6e h ALA 5 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1i6e h ALA 5 Cb 0.78 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1i6e h ALA 5 CO 0.05 -0.08 0.59 0.00 0.00 0.00 0.00 179.25 179.81 1i6e h ALA 6 N 0.88 1.42 -0.91 0.00 0.00 -1.92 -3.05 119.26 115.68 1i6e h ALA 6 Ca 0.07 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1i6e h ALA 6 Cb 0.26 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1i6e h ALA 6 CO -0.00 0.49 0.59 0.78 0.00 0.00 0.00 179.25 181.11 1i6e h GLY 7 N 1.14 1.33 0.57 0.00 0.00 -1.20 -1.29 103.07 103.61 1i6e h GLY 7 Ca 0.35 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1i6e h GLY 7 CO -0.10 0.24 0.23 -2.09 0.00 0.00 0.00 176.54 174.82 1i6e h GLU 8 N 0.95 0.43 -0.25 4.80 4.22 -1.11 0.18 114.58 123.81 1i6e h GLU 8 Ca 0.41 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.83 1i6e h GLU 8 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1i6e h GLU 8 CO -0.17 0.28 0.15 0.87 -2.18 0.00 0.00 179.01 177.96 1i6e h LYS 9 N 0.44 0.29 -1.00 1.92 1.57 -1.38 -3.03 116.57 115.38 1i6e h LYS 9 Ca 0.26 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 1i6e h LYS 9 Cb 0.24 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1i6e h LYS 9 CO -0.23 0.19 0.65 0.28 -0.57 0.00 0.00 179.45 179.78 1i6e h VAL 10 N 0.30 1.12 -0.04 0.50 2.07 -1.18 -2.66 116.25 116.36 1i6e h VAL 10 Ca 0.10 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1i6e h VAL 10 Cb -0.01 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.57 1i6e h VAL 10 CO -0.04 0.22 0.26 0.15 0.02 0.00 0.00 177.57 178.17 1i6e h PHE 11 N 1.21 0.00 -1.02 1.57 3.57 -0.83 -2.30 116.94 119.13 1i6e h PHE 11 Ca 0.42 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.17 1i6e h PHE 11 Cb 0.11 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.75 1i6e h PHE 11 CO -0.00 0.00 0.65 0.78 -2.23 0.00 0.00 178.31 177.51 1i6e h GLY 12 N 0.00 1.27 0.79 2.40 0.00 -1.44 0.80 103.07 106.89 1i6e h GLY 12 Ca 0.02 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1i6e h GLY 12 CO -0.00 -0.12 0.54 0.50 0.00 0.00 0.00 176.54 177.46 1i6e h LYS 13 N 0.44 0.98 0.02 4.80 1.57 -1.62 -3.27 116.57 119.50 1i6e h LYS 13 Ca 0.58 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 59.08 1i6e h LYS 13 Cb 1.39 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1i6e h LYS 13 CO -0.30 0.65 -0.95 0.00 -0.57 0.00 0.00 179.45 178.28 1i6e h LYS 15 N 0.15 0.00 -0.40 0.00 1.57 -0.93 -0.00 116.57 116.96 1i6e h LYS 15 Ca -0.07 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1i6e h LYS 15 Cb 1.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 1i6e h LYS 15 CO 0.15 0.00 0.43 0.00 -0.57 0.00 0.00 179.45 179.46 1i6e h ALA 16 N 1.48 2.11 0.00 3.86 0.00 -1.72 -3.37 119.26 121.61 1i6e h ALA 16 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i6e h ALA 16 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1i6e h ALA 16 CO -0.00 -0.64 -0.57 0.00 0.00 0.00 0.00 179.25 178.04 1i6e s HIS 18 N -1.57 3.08 0.20 0.00 3.76 -0.12 -1.87 115.29 118.76 1i6e s HIS 18 Ca 0.00 0.11 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 1i6e s HIS 18 Cb 0.00 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1i6e s HIS 18 CO 0.00 0.44 0.23 0.15 -0.85 0.00 0.00 174.74 174.72 1i6e s LYS 19 N -1.17 3.15 -0.15 1.40 1.02 -1.26 -4.20 119.74 118.53 1i6e s LYS 19 Ca 0.16 -0.82 0.19 0.00 0.02 0.00 0.00 55.97 55.52 1i6e s LYS 19 Cb -0.11 -2.76 -0.27 0.00 -0.52 0.00 0.00 37.83 34.17 1i6e s LYS 19 CO 0.06 0.46 0.19 1.28 -0.92 0.00 0.00 175.35 176.42 1i6e n LEU 20 N -0.81 0.03 -3.40 3.17 4.77 -1.26 -1.37 117.00 118.13 1i6e n LEU 20 Ca -0.08 0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 1i6e n LEU 20 Cb 0.56 0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 1i6e n LEU 20 CO 0.45 0.37 2.93 -0.67 -1.33 0.00 0.00 177.39 179.14 1i6e n ASP 21 N -2.64 8.34 0.00 -1.43 2.03 -1.26 -4.30 116.55 117.28 1i6e n ASP 21 Ca -0.25 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1i6e n ASP 21 Cb 1.01 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1i6e n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i6e n GLY 22 N 2.74 0.48 3.85 0.27 0.00 -1.26 -4.94 105.19 106.32 1i6e n GLY 22 Ca 0.71 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 6.58 0.16 1.61 0.01 -1.26 -4.73 114.94 117.31 1i6e s ASN 23 Ca 0.00 1.53 -0.02 0.00 -0.71 0.00 0.00 52.86 53.66 1i6e s ASN 23 Cb 0.00 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 1i6e s ASN 23 CO 0.00 -0.60 0.36 -1.81 -1.51 0.00 0.00 177.10 173.54 1i6e s ASP 24 N -3.18 6.42 0.00 -1.22 1.01 -1.26 -4.04 116.67 114.40 1i6e s ASP 24 Ca 0.58 0.45 0.00 0.00 0.71 0.00 0.00 52.55 54.29 1i6e s ASP 24 Cb -0.10 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1i6e s ASP 24 CO 0.33 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.35 1i6e n GLY 25 N -0.25 2.09 0.09 0.21 0.00 -1.26 -4.98 105.19 101.08 1i6e n GLY 25 Ca -0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 1.50 -1.82 1.61 2.07 -1.75 -3.45 116.25 114.42 1i6e h VAL 26 Ca 0.00 -1.69 -0.43 0.00 0.82 0.00 0.00 66.70 65.39 1i6e h VAL 26 Cb 0.00 2.55 0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1i6e h VAL 26 CO 0.00 0.46 -0.15 -0.83 0.02 0.00 0.00 177.57 177.07 1i6e s GLY 27 N -3.69 1.88 1.10 2.17 0.00 -0.78 -5.02 107.32 102.98 1i6e s GLY 27 Ca -0.16 -1.58 -0.17 0.00 0.00 0.00 0.00 44.72 42.81 1i6e s GLY 27 CO 0.72 -1.32 1.13 2.56 0.00 0.00 0.00 173.10 176.19 1i6e s PRO 28 N -4.57 -0.43 0.02 2.90 0.04 -1.26 -4.58 135.00 127.12 1i6e s PRO 28 Ca 0.57 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1i6e s PRO 28 Cb -0.10 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1i6e s PRO 28 CO 0.36 -3.21 1.69 -3.38 0.04 0.00 0.00 177.00 172.50 1i6e s HIS 29 N -3.12 2.11 -1.86 0.56 -3.43 -1.26 -4.10 115.29 104.19 1i6e s HIS 29 Ca 0.69 0.18 0.28 0.00 -0.80 0.00 0.00 55.06 55.41 1i6e s HIS 29 Cb -0.12 -3.98 1.07 0.00 -1.43 0.00 0.00 32.58 28.12 1i6e s HIS 29 CO 0.56 -4.06 1.76 1.28 -2.00 0.00 0.00 174.74 172.27 1i6e n LEU 30 N 6.42 0.83 -4.67 5.38 4.77 -0.47 -4.75 117.00 124.51 1i6e n LEU 30 Ca 0.17 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1i6e n LEU 30 Cb 0.41 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1i6e n LEU 30 CO 0.63 0.15 1.45 0.21 -1.33 0.00 0.00 177.39 178.50 1i6e s ASN 31 N -2.37 6.57 -0.15 -1.43 2.47 -1.26 -3.50 114.94 115.28 1i6e s ASN 31 Ca 0.30 2.45 -0.01 0.00 0.42 0.00 0.00 52.86 56.03 1i6e s ASN 31 Cb 0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1i6e s ASN 31 CO 0.46 -0.97 0.13 0.61 -3.72 0.00 0.00 177.10 173.61 1i6e n GLY 32 N 4.26 0.67 0.11 1.21 0.00 -0.18 -4.90 105.19 106.35 1i6e n GLY 32 Ca 0.18 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1i6e n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i6e n VAL 33 N -2.38 1.39 -2.32 1.61 3.14 -1.23 -4.53 118.33 114.01 1i6e n VAL 33 Ca -0.01 -0.74 -0.41 0.00 -2.96 0.00 0.00 64.34 60.22 1i6e n VAL 33 Cb 0.51 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.45 1i6e n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1i6e s VAL 34 N -2.49 3.72 0.00 1.55 1.01 -1.26 -1.19 120.40 121.74 1i6e s VAL 34 Ca -0.19 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1i6e s VAL 34 Cb 0.07 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1i6e s VAL 34 CO 0.73 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 175.36 1i6e n GLY 35 N 5.31 2.73 3.77 4.51 0.00 -0.08 -5.00 105.19 116.43 1i6e n GLY 35 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.28 3.95 0.32 1.61 3.52 -0.33 -4.45 118.95 123.28 1i6e s ARG 36 Ca 0.00 2.12 -0.28 0.00 -0.13 0.00 0.00 55.73 57.44 1i6e s ARG 36 Cb 0.00 -2.73 -0.13 0.00 -1.56 0.00 0.00 34.95 30.53 1i6e s ARG 36 CO 0.00 -0.50 1.20 2.41 -0.81 0.00 0.00 175.30 177.60 1i6e n THR 37 N 0.09 1.94 -1.98 4.11 -1.04 -1.26 -0.27 114.28 115.87 1i6e n THR 37 Ca 0.04 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.14 1i6e n THR 37 Cb 0.44 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1i6e n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6e s VAL 38 N -1.03 3.52 -1.00 12.58 1.01 -0.41 -1.95 120.40 133.11 1i6e s VAL 38 Ca 0.57 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1i6e s VAL 38 Cb -0.62 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1i6e s VAL 38 CO 0.61 -0.05 0.84 0.00 0.00 0.00 0.00 175.10 176.49 1i6e n ALA 39 N 7.05 -1.60 -0.02 5.51 0.00 -1.26 -4.56 120.51 125.63 1i6e n ALA 39 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1i6e n ALA 39 Cb 0.43 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 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 -1.17 -1.09 3.55 0.00 0.00 -0.82 -4.84 105.19 100.82 1i6e n GLY 40 Ca -0.21 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.82 3.51 -0.56 1.61 1.01 -1.26 -4.96 120.40 116.93 1i6e s VAL 41 Ca -0.06 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1i6e s VAL 41 Cb 0.08 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1i6e s VAL 41 CO 0.83 -1.27 1.35 -1.81 0.00 0.00 0.00 175.10 174.21 1i6e s ASP 42 N 6.57 6.23 0.00 3.32 1.11 -1.26 -2.28 116.67 130.36 1i6e s ASP 42 Ca 0.56 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.56 1i6e s ASP 42 Cb -0.10 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1i6e s ASP 42 CO 0.15 -1.63 0.00 0.61 1.18 0.00 0.00 175.17 175.48 1i6e n GLY 43 N 5.20 3.70 3.71 0.21 0.00 -1.26 -5.12 105.19 111.62 1i6e n GLY 43 Ca 0.12 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 3.65 -0.99 1.61 5.36 -0.96 -5.02 117.98 121.63 1i6e s PHE 44 Ca 0.00 1.68 -0.23 0.00 -0.96 0.00 0.00 56.93 57.43 1i6e s PHE 44 Cb 0.00 -3.13 0.06 0.00 -0.34 0.00 0.00 43.02 39.60 1i6e s PHE 44 CO 0.00 -0.07 1.40 1.21 -1.46 0.00 0.00 175.22 176.29 1i6e s ASN 45 N 0.96 6.50 0.68 6.13 2.47 -1.26 -4.93 114.94 125.49 1i6e s ASN 45 Ca 0.52 -1.48 -0.13 0.00 0.42 0.00 0.00 52.86 52.19 1i6e s ASN 45 Cb -0.22 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.05 1i6e s ASN 45 CO 0.28 -1.47 1.08 -0.31 -3.72 0.00 0.00 177.10 172.97 1i6e s TYR 46 N 4.71 2.80 0.70 0.43 2.02 -1.26 -5.06 117.35 121.69 1i6e s TYR 46 Ca 0.44 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.51 1i6e s TYR 46 Cb -0.01 -3.04 0.02 0.00 -0.40 0.00 0.00 41.96 38.53 1i6e s TYR 46 CO -0.09 -1.49 1.14 0.45 -1.57 0.00 0.00 175.55 174.00 1i6e s SER 47 N -3.11 4.69 0.11 2.29 0.15 -1.26 -4.82 113.70 111.74 1i6e s SER 47 Ca 0.63 2.13 -0.21 0.00 0.70 0.00 0.00 55.95 59.19 1i6e s SER 47 Cb -0.17 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.47 1i6e s SER 47 CO 0.47 -1.92 1.75 0.44 1.20 0.00 0.00 173.24 175.19 1i6e h ASP 48 N -0.18 0.08 0.32 5.45 3.32 -1.97 -0.36 116.42 123.08 1i6e h ASP 48 Ca -0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1i6e h ASP 48 Cb 1.26 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1i6e h ASP 48 CO 0.52 0.07 -0.11 1.55 -1.72 0.00 0.00 179.24 179.54 1i6e h PRO 49 N 0.12 0.00 -0.11 3.56 0.13 -1.87 -0.63 132.00 133.20 1i6e h PRO 49 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1i6e h PRO 49 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1i6e h PRO 49 CO -0.03 0.11 0.02 1.98 -0.23 0.00 0.00 178.00 179.85 1i6e h MET 50 N 0.00 0.18 -0.46 0.86 -1.53 -1.77 -2.09 114.93 110.12 1i6e h MET 50 Ca -0.00 -0.05 0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1i6e h MET 50 Cb 0.30 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.30 1i6e h MET 50 CO 0.01 0.39 0.27 0.87 0.14 0.00 0.00 176.91 178.59 1i6e h LYS 51 N -0.05 0.52 0.00 0.39 1.57 -0.98 -3.19 116.57 114.84 1i6e h LYS 51 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i6e h LYS 51 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1i6e h LYS 51 CO 0.00 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1i6e n ALA 52 N -2.26 1.71 0.16 3.86 0.00 -0.25 -4.13 120.51 119.60 1i6e n ALA 52 Ca 0.02 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 1i6e n ALA 52 Cb 0.07 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.35 -0.00 0.00 6.17 -1.35 -3.50 115.15 116.11 1i6e h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1i6e h HIS 53 Cb 0.40 0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.44 1i6e h HIS 53 CO 0.00 -0.13 -0.00 0.41 0.71 0.00 0.00 177.93 178.92 1i6e n GLY 54 N -0.91 -1.56 7.00 5.26 0.00 -1.26 -5.08 105.19 108.65 1i6e n GLY 54 Ca -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.64 -0.32 3.18 -0.02 0.00 -1.26 -4.58 105.19 100.55 1i6e n GLY 55 Ca -0.00 -1.06 -0.15 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 1.54 -1.22 1.61 1.11 -1.26 -1.29 116.67 113.15 1i6e s ASP 56 Ca 0.00 -0.79 -0.19 0.00 0.18 0.00 0.00 52.55 51.75 1i6e s ASP 56 Cb 0.00 -0.01 -0.01 0.00 1.07 0.00 0.00 42.92 43.97 1i6e s ASP 56 CO 0.00 -0.23 1.93 0.79 1.18 0.00 0.00 175.17 178.84 1i6e n TRP 57 N 0.62 3.51 -1.42 4.23 7.02 0.63 -4.82 117.44 127.21 1i6e n TRP 57 Ca -0.16 -2.38 -0.31 0.00 -1.02 0.00 0.00 57.50 53.63 1i6e n TRP 57 Cb 0.57 -2.47 0.07 0.00 -2.42 0.00 0.00 31.31 27.06 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 5.75 3.68 0.46 -0.99 -4.23 -1.26 -0.90 115.64 118.15 1i6e s THR 58 Ca 0.56 0.54 0.14 0.00 -1.18 0.00 0.00 61.69 61.75 1i6e s THR 58 Cb 0.07 -3.17 0.30 0.00 1.34 0.00 0.00 72.50 71.04 1i6e s THR 58 CO 0.06 -0.71 2.05 1.55 -0.54 0.00 0.00 174.62 177.03 1i6e h PRO 59 N -0.92 0.29 0.22 3.99 0.13 -1.97 -0.15 132.00 133.59 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 0.00 178.00 179.89 1i6e h GLU 60 N 0.30 -0.29 -0.69 0.86 4.22 -1.99 -1.68 114.58 115.31 1i6e h GLU 60 Ca 0.16 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.68 1i6e h GLU 60 Cb 0.26 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1i6e h GLU 60 CO -0.03 -0.04 0.39 0.00 -2.18 0.00 0.00 179.01 177.14 1i6e h ALA 61 N 0.23 0.93 -0.46 2.92 0.00 -1.80 -1.30 119.26 119.79 1i6e h ALA 61 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i6e h ALA 61 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1i6e h ALA 61 CO 0.05 0.07 0.27 -0.07 0.00 0.00 0.00 179.25 179.57 1i6e h LEU 62 N 0.71 0.55 -0.72 0.00 3.38 -1.14 -1.18 115.31 116.90 1i6e h LEU 62 Ca 0.31 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.30 1i6e h LEU 62 Cb 0.20 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1i6e h LEU 62 CO -0.19 0.44 0.40 1.56 0.09 0.00 0.00 178.44 180.74 1i6e h GLN 63 N 0.61 0.68 0.56 1.13 4.20 -1.07 0.44 115.11 121.66 1i6e h GLN 63 Ca 0.16 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1i6e h GLN 63 Cb -0.00 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.63 1i6e h GLN 63 CO -0.03 0.45 -0.27 0.93 -0.67 0.00 0.00 178.83 179.24 1i6e h GLU 64 N 0.70 -0.73 -0.84 1.46 4.39 -1.20 -1.89 114.58 116.47 1i6e h GLU 64 Ca 0.34 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 1i6e h GLU 64 Cb 0.28 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1i6e h GLU 64 CO -0.22 -0.45 0.39 0.35 -1.16 0.00 0.00 179.01 177.92 1i6e h PHE 65 N -0.84 1.22 0.00 4.33 3.57 -1.20 -2.69 116.94 121.33 1i6e h PHE 65 Ca -0.08 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 1i6e h PHE 65 Cb 0.61 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1i6e h PHE 65 CO -0.02 0.89 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.72 1i6e h LEU 66 N 1.20 0.00 0.23 0.59 3.38 -1.02 -1.98 115.31 117.71 1i6e h LEU 66 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1i6e h LEU 66 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1i6e h LEU 66 CO -0.03 0.16 -0.11 0.74 0.09 0.00 0.00 178.44 179.29 1i6e h THR 67 N 0.00 0.82 -2.10 0.22 2.02 -1.08 0.26 112.91 113.05 1i6e h THR 67 Ca -0.00 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 1i6e h THR 67 Cb 0.74 0.97 -0.29 0.00 -1.74 0.00 0.00 68.15 67.82 1i6e h THR 67 CO 0.02 0.06 -0.45 0.21 0.37 0.00 0.00 175.52 175.73 1i6e s ASN 68 N -5.03 0.10 -0.06 4.18 3.84 -1.04 -3.91 114.94 113.03 1i6e s ASN 68 Ca -0.15 0.45 -0.25 0.00 0.21 0.00 0.00 52.86 53.13 1i6e s ASN 68 Cb 0.04 1.17 -0.24 0.00 -0.55 0.00 0.00 41.25 41.67 1i6e s ASN 68 CO 0.63 -0.28 1.02 1.55 -2.79 0.00 0.00 177.10 177.23 1i6e h PRO 69 N 8.18 0.16 0.00 0.43 0.13 -1.57 -3.03 132.00 136.30 1i6e h PRO 69 Ca -0.18 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1i6e h PRO 69 Cb 1.14 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1i6e h PRO 69 CO 0.23 0.91 -0.23 0.87 -0.23 0.00 0.00 178.00 179.55 1i6e h LYS 70 N -0.53 0.00 -0.44 0.86 1.57 -1.85 -0.31 116.57 115.87 1i6e h LYS 70 Ca -0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1i6e h LYS 70 Cb 1.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1i6e h LYS 70 CO 0.05 0.23 -0.05 0.00 -0.57 0.00 0.00 179.45 179.11 1i6e h ALA 71 N 1.77 0.59 0.41 3.86 0.00 -1.98 -3.27 119.26 120.65 1i6e h ALA 71 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1i6e h ALA 71 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1i6e h ALA 71 CO 0.03 0.43 -0.20 0.28 0.00 0.00 0.00 179.25 179.79 1i6e h VAL 72 N 0.64 0.20 -3.14 0.00 2.07 -1.38 -3.40 116.25 111.24 1i6e h VAL 72 Ca 0.12 -0.63 -0.75 0.00 0.82 0.00 0.00 66.70 66.26 1i6e h VAL 72 Cb 0.56 0.32 -0.25 0.00 -1.52 0.00 0.00 31.29 30.40 1i6e h VAL 72 CO 0.03 0.05 -0.25 -0.69 0.02 0.00 0.00 177.57 176.72 1i6e s VAL 73 N -3.72 4.99 -0.71 2.57 1.01 -0.14 -5.04 120.40 119.36 1i6e s VAL 73 Ca -0.10 -1.58 -0.26 0.00 0.00 0.00 0.00 61.98 60.04 1i6e s VAL 73 Cb 0.01 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1i6e s VAL 73 CO 0.34 -0.85 1.58 -0.75 0.00 0.00 0.00 175.10 175.42 1i6e s LYS 74 N 1.53 2.93 0.00 2.72 2.47 -1.23 -2.39 119.74 125.77 1i6e s LYS 74 Ca 0.04 0.08 0.00 0.00 -1.56 0.00 0.00 55.97 54.53 1i6e s LYS 74 Cb -0.29 -4.39 0.00 0.00 -1.46 0.00 0.00 37.83 31.69 1i6e s LYS 74 CO 0.02 -2.48 0.00 0.41 0.16 0.00 0.00 175.35 173.46 1i6e n GLY 75 N 5.69 1.32 3.76 5.54 0.00 -1.26 -4.79 105.19 115.45 1i6e n GLY 75 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 3.09 -2.00 2.61 -1.32 -1.01 -4.66 115.64 110.36 1i6e s THR 76 Ca 0.00 1.03 0.03 0.00 -1.21 0.00 0.00 61.69 61.54 1i6e s THR 76 Cb 0.00 -3.66 0.08 0.00 -1.51 0.00 0.00 72.50 67.41 1i6e s THR 76 CO 0.00 0.22 0.82 2.29 -2.21 0.00 0.00 174.62 175.74 1i6e n LYS 77 N 1.44 0.70 -2.47 7.08 2.85 -1.26 -4.77 118.16 121.73 1i6e n LYS 77 Ca 0.01 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.87 1i6e n LYS 77 Cb 0.43 -1.06 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 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 -2.00 3.13 -1.30 -1.58 1.75 -1.26 -4.96 119.30 113.08 1i6e s MET 78 Ca 0.04 -0.19 -0.17 0.00 -1.25 0.00 0.00 55.69 54.12 1i6e s MET 78 Cb 0.02 -4.32 0.01 0.00 2.84 0.00 0.00 34.83 33.38 1i6e s MET 78 CO 0.03 -2.26 2.04 0.00 -0.65 0.00 0.00 175.02 174.18 1i6e n ALA 79 N 9.89 4.45 -3.65 4.11 0.00 -1.26 -4.72 120.51 129.33 1i6e n ALA 79 Ca 0.08 -3.74 -0.18 0.00 0.00 0.00 0.00 53.44 49.60 1i6e n ALA 79 Cb 0.50 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 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 4.25 0.54 -0.00 0.00 5.36 -1.26 -5.09 117.98 121.76 1i6e s PHE 80 Ca 0.52 -0.11 -0.24 0.00 -0.96 0.00 0.00 56.93 56.14 1i6e s PHE 80 Cb 0.10 -0.53 -0.16 0.00 -0.34 0.00 0.00 43.02 42.09 1i6e s PHE 80 CO -0.00 -0.15 1.17 0.00 -1.46 0.00 0.00 175.22 174.77 1i6e h ALA 81 N 7.16 -0.36 0.00 11.12 0.00 -1.96 -3.40 119.26 131.82 1i6e h ALA 81 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1i6e h ALA 81 Cb 1.14 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i6e h ALA 81 CO 0.48 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1i6e n GLY 82 N -0.12 3.65 3.28 0.00 0.00 -1.26 -4.45 105.19 106.29 1i6e n GLY 82 Ca -0.09 -1.12 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 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 6.07 0.25 0.99 1.43 0.92 -4.99 118.68 123.35 1i6e s LEU 83 Ca 0.00 -1.93 0.03 0.00 -1.03 0.00 0.00 54.13 51.20 1i6e s LEU 83 Cb 0.00 -2.14 0.32 0.00 0.03 0.00 0.00 46.19 44.40 1i6e s LEU 83 CO 0.00 -0.77 1.63 1.55 0.23 0.00 0.00 176.35 178.99 1i6e h PRO 84 N 8.62 0.39 -6.65 1.29 0.13 -1.86 -3.38 132.00 130.55 1i6e h PRO 84 Ca -0.23 -0.20 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 1i6e h PRO 84 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i6e h PRO 84 CO 0.95 0.75 0.44 0.15 -0.23 0.00 0.00 178.00 180.06 1i6e s LYS 85 N -4.14 4.64 0.22 0.86 1.02 -1.26 -5.01 119.74 116.08 1i6e s LYS 85 Ca -0.06 1.63 -0.08 0.00 0.02 0.00 0.00 55.97 57.49 1i6e s LYS 85 Cb 0.13 -3.30 0.26 0.00 -0.52 0.00 0.00 37.83 34.40 1i6e s LYS 85 CO 0.80 0.15 1.83 0.97 -0.92 0.00 0.00 175.35 178.18 1i6e h ILE 86 N 3.73 1.01 -0.56 2.17 2.10 -2.01 -3.16 117.51 120.80 1i6e h ILE 86 Ca -0.44 -0.27 0.08 0.00 1.08 0.00 0.00 64.86 65.31 1i6e h ILE 86 Cb 1.21 0.14 -0.06 0.00 -1.09 0.00 0.00 36.82 37.01 1i6e h ILE 86 CO 0.72 0.15 0.20 1.05 -1.08 0.00 0.00 178.15 179.19 1i6e h GLU 87 N 0.80 0.37 -0.49 2.19 4.11 -1.97 0.13 114.58 119.72 1i6e h GLU 87 Ca 0.32 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.77 1i6e h GLU 87 Cb 0.16 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1i6e h GLU 87 CO -0.17 0.25 0.24 -0.44 0.07 0.00 0.00 179.01 178.96 1i6e h ASP 88 N 0.38 0.34 0.17 3.06 5.19 -1.97 -0.16 116.42 123.44 1i6e h ASP 88 Ca 0.27 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1i6e h ASP 88 Cb 0.31 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1i6e h ASP 88 CO -0.27 0.24 -0.08 0.03 -3.12 0.00 0.00 179.24 176.03 1i6e h ARG 89 N 0.47 -0.22 -0.39 3.56 3.08 -1.47 -2.64 114.38 116.77 1i6e h ARG 89 Ca 0.22 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1i6e h ARG 89 Cb 0.13 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1i6e h ARG 89 CO -0.16 0.10 0.21 0.00 -1.07 0.00 0.00 179.97 179.05 1i6e h ALA 90 N 0.20 0.49 -0.20 0.04 0.00 -0.77 0.15 119.26 119.16 1i6e h ALA 90 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1i6e h ALA 90 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1i6e h ALA 90 CO 0.04 -0.14 0.01 -0.91 0.00 0.00 0.00 179.25 178.25 1i6e h ASN 91 N 0.43 -0.05 -0.38 0.00 2.35 -1.15 -1.40 115.58 115.38 1i6e h ASN 91 Ca 0.16 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1i6e h ASN 91 Cb 0.04 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1i6e h ASN 91 CO -0.09 0.00 0.23 0.25 -1.65 0.00 0.00 177.43 176.17 1i6e h LEU 92 N 0.08 0.38 -0.86 1.61 5.85 -1.41 -2.01 115.31 118.95 1i6e h LEU 92 Ca 0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1i6e h LEU 92 Cb 0.11 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1i6e h LEU 92 CO -0.15 0.27 0.46 0.40 -0.34 0.00 0.00 178.44 179.09 1i6e h ILE 93 N 0.47 1.25 -0.65 4.05 2.04 -0.93 -0.28 117.51 123.45 1i6e h ILE 93 Ca 0.15 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1i6e h ILE 93 Cb -0.01 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 1i6e h ILE 93 CO -0.06 0.29 0.30 0.00 0.00 0.00 0.00 178.15 178.67 1i6e h ALA 94 N 1.25 0.87 -0.28 1.87 0.00 -1.21 0.48 119.26 122.23 1i6e h ALA 94 Ca 0.30 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1i6e h ALA 94 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1i6e h ALA 94 CO -0.05 -0.10 0.13 -0.92 0.00 0.00 0.00 179.25 178.32 1i6e h TYR 95 N 0.52 0.25 0.00 0.00 3.20 -1.03 -2.32 116.97 117.59 1i6e h TYR 95 Ca 0.32 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1i6e h TYR 95 Cb 0.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1i6e h TYR 95 CO -0.13 0.13 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.28 1i6e h LEU 96 N 0.28 0.00 -0.58 2.82 3.38 -0.93 0.89 115.31 121.16 1i6e h LEU 96 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1i6e h LEU 96 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1i6e h LEU 96 CO -0.09 0.18 0.29 -0.33 0.09 0.00 0.00 178.44 178.58 1i6e h GLU 97 N 0.00 0.84 -0.63 1.13 5.08 -0.91 -3.30 114.58 116.79 1i6e h GLU 97 Ca -0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1i6e h GLU 97 Cb 0.74 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1i6e h GLU 97 CO 0.02 0.68 0.22 0.78 -1.00 0.00 0.00 179.01 179.71 1i6e h GLY 98 N 0.79 1.03 -7.59 -3.84 0.00 -0.98 -3.37 103.07 89.11 1i6e h GLY 98 Ca 0.20 -0.59 -0.66 0.00 0.00 0.00 0.00 47.33 46.28 1i6e h GLY 98 CO -0.03 0.55 1.84 1.20 0.00 0.00 0.00 176.54 180.10 1i6e s GLN 99 N -5.47 3.86 0.00 4.80 -1.52 0.27 -5.07 119.66 116.53 1i6e s GLN 99 Ca -0.13 -1.78 0.00 0.00 -1.95 0.00 0.00 55.36 51.51 1i6e s GLN 99 Cb 0.13 -5.40 0.00 0.00 -0.22 0.00 0.00 33.01 27.52 1i6e s GLN 99 CO 0.81 -2.17 0.12 1.04 -0.25 0.00 0.00 175.29 174.84