#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 -1.67 -3.72 3.17 0.00 -1.26 -4.95 120.51 112.08 1i6e n ALA 2 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1i6e n ALA 2 Cb 0.00 -2.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.76 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 -3.88 3.61 0.25 0.00 2.15 -1.26 -5.03 116.67 112.52 1i6e s ASP 3 Ca 0.33 -3.19 0.00 0.00 0.43 0.00 0.00 52.55 50.13 1i6e s ASP 3 Cb -0.18 -1.16 0.32 0.00 -0.30 0.00 0.00 42.92 41.60 1i6e s ASP 3 CO 0.89 -0.18 1.68 -0.65 -0.17 0.00 0.00 175.17 176.74 1i6e h PRO 4 N 6.00 0.57 -0.09 4.34 0.11 -1.83 -3.05 132.00 138.05 1i6e h PRO 4 Ca 0.10 -0.23 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1i6e h PRO 4 Cb 0.86 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1i6e h PRO 4 CO 0.56 0.78 0.03 0.00 -0.21 0.00 0.00 178.00 179.16 1i6e h ALA 5 N 1.21 0.12 -0.79 -0.75 0.00 -1.96 -0.10 119.26 116.99 1i6e h ALA 5 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i6e h ALA 5 Cb 0.72 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1i6e h ALA 5 CO 0.06 -0.29 0.50 0.00 0.00 0.00 0.00 179.25 179.52 1i6e h ALA 6 N 0.86 1.39 -0.80 0.00 0.00 -1.93 -2.80 119.26 115.99 1i6e h ALA 6 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i6e h ALA 6 Cb 0.19 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1i6e h ALA 6 CO -0.00 0.54 0.50 0.78 0.00 0.00 0.00 179.25 181.07 1i6e h GLY 7 N 1.09 1.14 0.82 0.00 0.00 -1.40 -1.29 103.07 103.44 1i6e h GLY 7 Ca 0.29 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1i6e h GLY 7 CO -0.06 0.44 0.35 -2.09 0.00 0.00 0.00 176.54 175.18 1i6e h GLU 8 N 1.09 0.66 -0.36 4.80 4.22 -0.94 0.11 114.58 124.16 1i6e h GLU 8 Ca 0.29 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.71 1i6e h GLU 8 Cb -0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1i6e h GLU 8 CO -0.06 0.43 0.18 0.87 -2.18 0.00 0.00 179.01 178.25 1i6e h LYS 9 N 0.68 0.35 -0.89 1.92 1.57 -1.32 -3.05 116.57 115.82 1i6e h LYS 9 Ca 0.25 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1i6e h LYS 9 Cb 0.06 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1i6e h LYS 9 CO -0.12 0.23 0.55 0.28 -0.57 0.00 0.00 179.45 179.82 1i6e h VAL 10 N 0.36 1.24 -0.36 0.50 2.07 -1.16 -3.07 116.25 115.84 1i6e h VAL 10 Ca 0.15 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1i6e h VAL 10 Cb 0.06 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1i6e h VAL 10 CO -0.11 0.25 0.43 0.15 0.02 0.00 0.00 177.57 178.32 1i6e h PHE 11 N 1.22 0.00 -1.22 1.57 3.57 -0.67 -2.13 116.94 119.29 1i6e h PHE 11 Ca 0.32 0.00 0.36 0.00 3.53 0.00 0.00 57.97 62.18 1i6e h PHE 11 Cb -0.06 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.58 1i6e h PHE 11 CO -0.00 0.00 0.81 0.78 -2.23 0.00 0.00 178.31 177.67 1i6e h GLY 12 N 0.00 0.91 1.02 2.40 0.00 -1.50 0.17 103.07 106.07 1i6e h GLY 12 Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1i6e h GLY 12 CO -0.00 -0.18 0.59 0.50 0.00 0.00 0.00 176.54 177.44 1i6e h LYS 13 N 0.19 1.10 0.03 4.80 1.57 -1.61 -3.29 116.57 119.36 1i6e h LYS 13 Ca 0.68 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 59.14 1i6e h LYS 13 Cb 2.15 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 34.18 1i6e h LYS 13 CO -0.26 0.73 -1.28 0.00 -0.57 0.00 0.00 179.45 178.07 1i6e h LYS 15 N 0.02 0.27 -0.47 0.00 1.57 -1.11 -1.02 116.57 115.82 1i6e h LYS 15 Ca -0.13 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1i6e h LYS 15 Cb 1.89 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 1i6e h LYS 15 CO 0.13 0.18 0.37 0.00 -0.57 0.00 0.00 179.45 179.56 1i6e h ALA 16 N 1.57 2.34 0.00 3.86 0.00 -1.81 -3.35 119.26 121.88 1i6e h ALA 16 Ca 0.61 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.35 1i6e h ALA 16 Cb 1.77 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1i6e h ALA 16 CO -0.24 -0.61 -1.54 0.00 0.00 0.00 0.00 179.25 176.86 1i6e s HIS 18 N -2.18 3.37 -0.02 0.00 3.76 -0.47 -1.82 115.29 117.93 1i6e s HIS 18 Ca -0.13 0.13 0.04 0.00 -0.15 0.00 0.00 55.06 54.96 1i6e s HIS 18 Cb 0.04 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1i6e s HIS 18 CO 0.20 0.54 -0.15 0.15 -0.85 0.00 0.00 174.74 174.63 1i6e s LYS 19 N -2.77 1.32 -0.68 1.40 1.02 -1.26 -4.26 119.74 114.52 1i6e s LYS 19 Ca 0.33 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1i6e s LYS 19 Cb -0.12 -1.24 0.44 0.00 -0.52 0.00 0.00 37.83 36.39 1i6e s LYS 19 CO 0.26 0.29 2.01 1.28 -0.92 0.00 0.00 175.35 178.27 1i6e n LEU 20 N 2.86 7.60 -2.93 3.17 4.77 -1.26 -2.34 117.00 128.87 1i6e n LEU 20 Ca -0.16 -4.38 -0.13 0.00 -0.03 0.00 0.00 56.01 51.31 1i6e n LEU 20 Cb 0.54 -0.97 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1i6e n LEU 20 CO 0.24 1.53 -0.08 0.47 -1.33 0.00 0.00 177.39 178.23 1i6e n ASP 21 N -0.86 0.51 0.00 -1.43 8.00 -1.26 -4.88 116.55 116.62 1i6e n ASP 21 Ca 0.61 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 53.17 1i6e n ASP 21 Cb 0.61 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.11 0.92 3.74 0.44 0.00 -1.26 -4.97 105.19 104.17 1i6e n GLY 22 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 7.24 -0.17 1.61 0.01 -1.26 -4.71 114.94 117.66 1i6e s ASN 23 Ca 0.00 2.16 -0.02 0.00 -0.71 0.00 0.00 52.86 54.29 1i6e s ASN 23 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1i6e s ASN 23 CO 0.00 -0.22 -0.08 -1.81 -1.51 0.00 0.00 177.10 173.48 1i6e s ASP 24 N -0.29 4.28 0.00 -1.22 1.11 -1.26 -3.90 116.67 115.39 1i6e s ASP 24 Ca 0.48 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.90 1i6e s ASP 24 Cb -0.31 -1.70 0.00 0.00 1.07 0.00 0.00 42.92 41.99 1i6e s ASP 24 CO 0.37 0.09 0.00 0.61 1.18 0.00 0.00 175.17 177.42 1i6e n GLY 25 N 4.04 1.93 0.12 0.21 0.00 -1.26 -5.00 105.19 105.23 1i6e n GLY 25 Ca -0.18 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 1.01 -1.88 1.61 2.07 -1.93 -3.45 116.25 113.67 1i6e h VAL 26 Ca 0.00 -1.08 -0.49 0.00 0.82 0.00 0.00 66.70 65.95 1i6e h VAL 26 Cb 0.00 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1i6e h VAL 26 CO 0.00 0.24 -0.45 -0.83 0.02 0.00 0.00 177.57 176.55 1i6e s GLY 27 N -3.18 1.72 1.04 2.17 0.00 -0.76 -5.02 107.32 103.30 1i6e s GLY 27 Ca -0.14 -1.61 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 1i6e s GLY 27 CO 0.55 -1.55 1.09 2.56 0.00 0.00 0.00 173.10 175.75 1i6e s PRO 28 N -3.99 0.12 0.03 2.90 0.04 -1.26 -4.64 135.00 128.20 1i6e s PRO 28 Ca 0.40 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1i6e s PRO 28 Cb -0.06 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 1i6e s PRO 28 CO 0.27 -2.93 1.34 -3.38 0.04 0.00 0.00 177.00 172.34 1i6e s HIS 29 N -2.93 3.08 -2.26 0.56 -3.43 -1.25 -4.02 115.29 105.04 1i6e s HIS 29 Ca 0.66 0.97 0.20 0.00 -0.80 0.00 0.00 55.06 56.09 1i6e s HIS 29 Cb -0.19 -3.60 0.68 0.00 -1.43 0.00 0.00 32.58 28.05 1i6e s HIS 29 CO 0.58 -2.11 1.51 1.28 -2.00 0.00 0.00 174.74 174.00 1i6e n LEU 30 N 4.76 1.80 -4.65 5.38 4.77 -0.99 -4.89 117.00 123.18 1i6e n LEU 30 Ca 0.12 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 1i6e n LEU 30 Cb 0.44 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1i6e n LEU 30 CO 0.58 0.39 1.58 0.20 -1.33 0.00 0.00 177.39 178.80 1i6e s ASN 31 N -1.50 6.40 0.00 -1.43 0.01 -1.26 -2.82 114.94 114.33 1i6e s ASN 31 Ca 0.32 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.96 1i6e s ASN 31 Cb 0.17 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1i6e s ASN 31 CO 0.26 -1.12 0.00 0.61 -1.51 0.00 0.00 177.10 175.34 1i6e n GLY 32 N 4.58 0.43 0.13 0.66 0.00 -0.61 -4.94 105.19 105.45 1i6e n GLY 32 Ca 0.20 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 1.36 -2.77 1.61 3.04 -1.79 -3.37 116.25 114.33 1i6e h VAL 33 Ca 0.00 -2.23 -0.54 0.00 -1.01 0.00 0.00 66.70 62.92 1i6e h VAL 33 Cb 0.00 2.23 -0.07 0.00 -2.01 0.00 0.00 31.29 31.44 1i6e h VAL 33 CO 0.00 0.62 1.05 -0.69 -1.01 0.00 0.00 177.57 177.53 1i6e s VAL 34 N -3.43 3.84 0.00 1.51 1.01 -1.26 -1.24 120.40 120.82 1i6e s VAL 34 Ca -0.00 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1i6e s VAL 34 Cb 0.12 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.78 1i6e s VAL 34 CO 0.76 -1.49 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1i6e n GLY 35 N 5.24 3.21 3.79 4.51 0.00 0.23 -4.98 105.19 117.19 1i6e n GLY 35 Ca 0.08 0.00 -0.36 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 -0.85 4.08 0.31 1.61 3.52 -0.37 -4.46 118.95 122.79 1i6e s ARG 36 Ca 0.00 1.47 -0.29 0.00 -0.13 0.00 0.00 55.73 56.78 1i6e s ARG 36 Cb 0.00 -2.43 -0.13 0.00 -1.56 0.00 0.00 34.95 30.84 1i6e s ARG 36 CO 0.00 -0.21 1.30 2.41 -0.81 0.00 0.00 175.30 178.00 1i6e n THR 37 N -0.29 1.73 -1.98 4.11 -1.04 -1.26 -0.18 114.28 115.36 1i6e n THR 37 Ca 0.06 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 1i6e n THR 37 Cb 0.50 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 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 -0.82 3.39 -1.08 12.58 1.01 -0.52 -2.22 120.40 132.74 1i6e s VAL 38 Ca 0.59 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 1i6e s VAL 38 Cb -0.60 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1i6e s VAL 38 CO 0.59 -0.03 0.90 0.00 0.00 0.00 0.00 175.10 176.56 1i6e n ALA 39 N 6.52 -1.79 0.14 5.51 0.00 -1.26 -4.54 120.51 125.09 1i6e n ALA 39 Ca 0.17 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1i6e n ALA 39 Cb 0.42 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.41 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 -1.14 -1.05 3.49 0.00 0.00 -0.94 -4.86 105.19 100.69 1i6e n GLY 40 Ca -0.25 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.43 4.11 -0.47 1.61 1.01 -1.26 -4.98 120.40 116.99 1i6e s VAL 41 Ca -0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1i6e s VAL 41 Cb 0.14 -4.76 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 1i6e s VAL 41 CO 0.89 -1.57 1.80 -0.62 0.00 0.00 0.00 175.10 175.60 1i6e s ASP 42 N 3.62 5.62 0.00 3.32 2.15 -1.26 -2.48 116.67 127.63 1i6e s ASP 42 Ca 0.28 0.80 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1i6e s ASP 42 Cb -0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1i6e s ASP 42 CO 0.13 -2.02 0.00 0.61 -0.17 0.00 0.00 175.17 173.72 1i6e n GLY 43 N 5.53 2.54 3.71 2.66 0.00 -1.26 -5.12 105.19 113.25 1i6e n GLY 43 Ca 0.21 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 3.62 -0.71 1.61 5.36 -1.04 -5.04 117.98 121.79 1i6e s PHE 44 Ca 0.00 1.52 -0.25 0.00 -0.96 0.00 0.00 56.93 57.24 1i6e s PHE 44 Cb 0.00 -3.00 0.05 0.00 -0.34 0.00 0.00 43.02 39.72 1i6e s PHE 44 CO 0.00 0.01 1.14 1.21 -1.46 0.00 0.00 175.22 176.12 1i6e s ASN 45 N 0.94 6.17 0.62 6.13 2.47 -1.26 -4.90 114.94 125.11 1i6e s ASN 45 Ca 0.46 -0.69 -0.12 0.00 0.42 0.00 0.00 52.86 52.93 1i6e s ASN 45 Cb -0.20 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 1i6e s ASN 45 CO 0.23 -1.67 1.04 -0.31 -3.72 0.00 0.00 177.10 172.67 1i6e s TYR 46 N 5.00 3.37 0.66 0.43 2.02 -1.26 -5.08 117.35 122.50 1i6e s TYR 46 Ca 0.29 1.38 -0.14 0.00 -0.37 0.00 0.00 57.07 58.23 1i6e s TYR 46 Cb -0.12 -2.81 -0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1i6e s TYR 46 CO 0.13 -0.85 1.09 -1.54 -1.57 0.00 0.00 175.55 172.81 1i6e s SER 47 N -3.74 5.22 0.17 2.29 1.04 -1.26 -4.83 113.70 112.58 1i6e s SER 47 Ca 0.57 1.89 -0.16 0.00 0.48 0.00 0.00 55.95 58.74 1i6e s SER 47 Cb -0.12 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.57 1i6e s SER 47 CO 0.49 -1.55 1.70 -0.78 0.98 0.00 0.00 173.24 174.08 1i6e h ASP 48 N -0.10 -0.13 0.49 7.02 3.58 -1.98 -1.31 116.42 123.99 1i6e h ASP 48 Ca -0.46 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.03 1i6e h ASP 48 Cb 1.23 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 1i6e h ASP 48 CO 0.55 -0.03 -0.22 1.55 -2.88 0.00 0.00 179.24 178.21 1i6e h PRO 49 N 0.13 0.00 -0.20 0.28 0.13 -1.86 0.30 132.00 130.77 1i6e h PRO 49 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 1i6e h PRO 49 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1i6e h PRO 49 CO -0.31 0.22 0.01 1.98 -0.23 0.00 0.00 178.00 179.67 1i6e h MET 50 N 0.00 0.35 -0.53 0.86 1.85 -1.76 -1.89 114.93 113.81 1i6e h MET 50 Ca -0.00 -0.11 0.05 0.00 -0.61 0.00 0.00 59.70 59.03 1i6e h MET 50 Cb 0.52 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.47 1i6e h MET 50 CO 0.03 0.53 0.26 0.87 -0.40 0.00 0.00 176.91 178.20 1i6e h LYS 51 N 0.13 0.49 0.00 0.39 1.57 -1.11 -3.14 116.57 114.90 1i6e h LYS 51 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1i6e h LYS 51 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i6e h LYS 51 CO 0.01 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 1i6e h ALA 52 N 1.29 1.00 0.43 3.86 0.00 -1.01 -3.37 119.26 121.46 1i6e h ALA 52 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1i6e h ALA 52 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1i6e h ALA 52 CO -0.17 0.00 -0.21 1.25 0.00 0.00 0.00 179.25 180.12 1i6e h HIS 53 N 0.00 -0.54 -0.46 0.00 6.17 -1.28 -3.50 115.15 115.54 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 0.57 0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.66 1i6e h HIS 53 CO 0.00 -0.30 -0.07 0.41 0.71 0.00 0.00 177.93 178.68 1i6e n GLY 54 N -1.14 -2.20 7.00 5.26 0.00 -1.26 -5.07 105.19 107.79 1i6e n GLY 54 Ca -0.11 -1.47 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 -1.37 -0.13 3.16 -0.02 0.00 -1.26 -4.56 105.19 101.01 1i6e n GLY 55 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 1.43 -1.25 1.61 1.11 -1.26 -1.44 116.67 112.87 1i6e s ASP 56 Ca 0.00 -0.73 -0.18 0.00 0.18 0.00 0.00 52.55 51.82 1i6e s ASP 56 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 42.92 43.98 1i6e s ASP 56 CO 0.00 -0.21 1.99 0.79 1.18 0.00 0.00 175.17 178.92 1i6e n TRP 57 N 0.84 3.46 -1.36 4.23 7.02 0.75 -4.82 117.44 127.55 1i6e n TRP 57 Ca -0.18 -2.52 -0.31 0.00 -1.02 0.00 0.00 57.50 53.47 1i6e n TRP 57 Cb 0.56 -2.43 0.08 0.00 -2.42 0.00 0.00 31.31 27.10 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 4.89 3.30 0.44 -0.99 -4.23 -1.26 -0.60 115.64 117.19 1i6e s THR 58 Ca 0.54 0.46 0.13 0.00 -1.18 0.00 0.00 61.69 61.64 1i6e s THR 58 Cb 0.09 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.29 1i6e s THR 58 CO 0.03 -0.51 2.02 1.55 -0.54 0.00 0.00 174.62 177.16 1i6e h PRO 59 N -0.89 0.38 -0.03 3.99 0.13 -1.96 0.25 132.00 133.87 1i6e h PRO 59 Ca -0.44 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1i6e h PRO 59 Cb 1.23 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1i6e h PRO 59 CO 0.52 0.25 0.00 1.49 -0.23 0.00 0.00 178.00 180.03 1i6e h GLU 60 N 0.39 0.06 -0.71 0.86 4.81 -1.99 -1.46 114.58 116.53 1i6e h GLU 60 Ca 0.22 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1i6e h GLU 60 Cb 0.36 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1i6e h GLU 60 CO -0.05 0.31 0.45 0.00 -0.73 0.00 0.00 179.01 178.99 1i6e h ALA 61 N 0.74 0.93 -0.43 2.92 0.00 -1.79 -1.19 119.26 120.44 1i6e h ALA 61 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i6e h ALA 61 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1i6e h ALA 61 CO 0.00 0.24 0.28 -0.07 0.00 0.00 0.00 179.25 179.70 1i6e h LEU 62 N 0.89 0.47 -0.76 0.00 3.38 -1.07 -1.13 115.31 117.10 1i6e h LEU 62 Ca 0.28 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1i6e h LEU 62 Cb 0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1i6e h LEU 62 CO -0.10 0.34 0.43 1.56 0.09 0.00 0.00 178.44 180.76 1i6e h GLN 63 N 0.56 0.75 0.63 1.13 4.20 -1.08 0.66 115.11 121.96 1i6e h GLN 63 Ca 0.16 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1i6e h GLN 63 Cb -0.05 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.57 1i6e h GLN 63 CO -0.04 0.49 -0.30 0.93 -0.67 0.00 0.00 178.83 179.24 1i6e h GLU 64 N 0.77 -0.81 -0.86 1.46 4.39 -1.17 -1.78 114.58 116.56 1i6e h GLU 64 Ca 0.35 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 1i6e h GLU 64 Cb 0.25 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1i6e h GLU 64 CO -0.21 -0.53 0.42 0.35 -1.16 0.00 0.00 179.01 177.89 1i6e h PHE 65 N -0.88 1.24 0.00 4.33 3.57 -1.18 -2.58 116.94 121.43 1i6e h PHE 65 Ca -0.09 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 1i6e h PHE 65 Cb 0.66 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1i6e h PHE 65 CO -0.02 0.89 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.59 1i6e h LEU 66 N 1.23 0.00 0.17 0.59 3.38 -0.97 -1.91 115.31 117.80 1i6e h LEU 66 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1i6e h LEU 66 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1i6e h LEU 66 CO -0.04 0.28 -0.08 0.74 0.09 0.00 0.00 178.44 179.43 1i6e h THR 67 N 0.00 0.89 -2.14 0.22 2.02 -1.07 0.25 112.91 113.08 1i6e h THR 67 Ca -0.00 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.76 1i6e h THR 67 Cb 0.77 1.05 -0.30 0.00 -1.74 0.00 0.00 68.15 67.93 1i6e h THR 67 CO 0.04 0.06 -0.48 0.21 0.37 0.00 0.00 175.52 175.72 1i6e s ASN 68 N -5.10 0.26 -0.03 4.18 3.84 -1.00 -3.70 114.94 113.39 1i6e s ASN 68 Ca -0.14 0.36 -0.23 0.00 0.21 0.00 0.00 52.86 53.05 1i6e s ASN 68 Cb 0.04 1.06 -0.23 0.00 -0.55 0.00 0.00 41.25 41.58 1i6e s ASN 68 CO 0.64 -0.28 1.07 1.55 -2.79 0.00 0.00 177.10 177.28 1i6e h PRO 69 N 8.20 0.23 0.00 0.43 0.13 -1.57 -3.07 132.00 136.35 1i6e h PRO 69 Ca -0.18 -0.23 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1i6e h PRO 69 Cb 1.14 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1i6e h PRO 69 CO 0.23 0.93 -0.33 0.87 -0.23 0.00 0.00 178.00 179.48 1i6e h LYS 70 N -0.39 0.00 -0.58 0.86 1.57 -1.85 -0.41 116.57 115.77 1i6e h LYS 70 Ca -0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1i6e h LYS 70 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1i6e h LYS 70 CO 0.06 0.33 0.03 0.00 -0.57 0.00 0.00 179.45 179.30 1i6e h ALA 71 N 1.67 0.78 0.37 3.86 0.00 -1.98 -3.24 119.26 120.72 1i6e h ALA 71 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1i6e h ALA 71 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i6e h ALA 71 CO 0.04 0.59 -0.18 0.28 0.00 0.00 0.00 179.25 179.98 1i6e h VAL 72 N 0.89 0.21 -3.21 0.00 2.07 -1.41 -3.40 116.25 111.40 1i6e h VAL 72 Ca 0.17 -0.68 -0.74 0.00 0.82 0.00 0.00 66.70 66.26 1i6e h VAL 72 Cb 0.51 0.35 -0.25 0.00 -1.52 0.00 0.00 31.29 30.37 1i6e h VAL 72 CO 0.02 0.05 -0.30 -0.69 0.02 0.00 0.00 177.57 176.67 1i6e s VAL 73 N -3.52 4.87 -0.60 2.57 1.01 -0.18 -5.05 120.40 119.50 1i6e s VAL 73 Ca -0.10 -1.49 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 1i6e s VAL 73 Cb 0.01 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1i6e s VAL 73 CO 0.32 -0.77 1.56 -0.75 0.00 0.00 0.00 175.10 175.46 1i6e s LYS 74 N 1.53 3.05 0.00 2.72 2.47 -1.22 -2.33 119.74 125.96 1i6e s LYS 74 Ca 0.04 0.41 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 1i6e s LYS 74 Cb -0.27 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 31.87 1i6e s LYS 74 CO 0.03 -2.25 0.00 0.41 0.16 0.00 0.00 175.35 173.70 1i6e n GLY 75 N 5.44 1.28 3.73 5.54 0.00 -1.26 -4.78 105.19 115.14 1i6e n GLY 75 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 3.88 -2.00 2.61 -1.32 -0.98 -4.62 115.64 111.20 1i6e s THR 76 Ca 0.00 1.53 0.00 0.00 -1.21 0.00 0.00 61.69 62.02 1i6e s THR 76 Cb 0.00 -3.98 0.01 0.00 -1.51 0.00 0.00 72.50 67.02 1i6e s THR 76 CO 0.00 0.22 0.73 2.29 -2.21 0.00 0.00 174.62 175.65 1i6e n LYS 77 N 2.80 0.71 -2.20 7.08 2.85 -1.26 -4.75 118.16 123.39 1i6e n LYS 77 Ca 0.05 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.95 1i6e n LYS 77 Cb 0.46 -1.01 -0.04 0.00 -0.65 0.00 0.00 35.03 33.80 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 2.83 -1.31 -1.58 1.75 -1.26 -4.93 119.30 112.79 1i6e s MET 78 Ca 0.00 -0.03 -0.16 0.00 -1.25 0.00 0.00 55.69 54.25 1i6e s MET 78 Cb 0.00 -4.67 0.01 0.00 2.84 0.00 0.00 34.83 33.02 1i6e s MET 78 CO 0.00 -2.74 2.07 0.00 -0.65 0.00 0.00 175.02 173.70 1i6e n ALA 79 N 11.98 4.63 -3.68 4.11 0.00 -1.26 -4.74 120.51 131.55 1i6e n ALA 79 Ca 0.24 -3.75 -0.19 0.00 0.00 0.00 0.00 53.44 49.74 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 4.05 0.50 0.02 0.00 5.36 -1.26 -5.09 117.98 121.55 1i6e s PHE 80 Ca 0.51 -0.09 -0.26 0.00 -0.96 0.00 0.00 56.93 56.14 1i6e s PHE 80 Cb 0.11 -0.54 -0.17 0.00 -0.34 0.00 0.00 43.02 42.09 1i6e s PHE 80 CO -0.01 -0.17 1.29 0.00 -1.46 0.00 0.00 175.22 174.87 1i6e h ALA 81 N 7.32 -0.44 0.00 11.12 0.00 -1.97 -3.41 119.26 131.89 1i6e h ALA 81 Ca -0.38 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1i6e h ALA 81 Cb 1.14 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i6e h ALA 81 CO 0.45 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1i6e n GLY 82 N -0.45 3.83 3.25 0.00 0.00 -1.26 -4.49 105.19 106.07 1i6e n GLY 82 Ca -0.10 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 6.05 0.26 0.99 1.43 0.87 -4.98 118.68 123.30 1i6e s LEU 83 Ca 0.00 -2.22 0.02 0.00 -1.03 0.00 0.00 54.13 50.90 1i6e s LEU 83 Cb 0.00 -2.09 0.34 0.00 0.03 0.00 0.00 46.19 44.46 1i6e s LEU 83 CO 0.00 -0.66 1.65 1.55 0.23 0.00 0.00 176.35 179.12 1i6e h PRO 84 N 8.19 0.41 -6.48 1.29 0.13 -1.86 -3.37 132.00 130.30 1i6e h PRO 84 Ca -0.12 -0.20 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 1i6e h PRO 84 Cb 1.05 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.19 1i6e h PRO 84 CO 0.86 0.74 0.61 0.15 -0.23 0.00 0.00 178.00 180.13 1i6e s LYS 85 N -4.22 4.40 0.22 0.86 1.02 -1.26 -4.99 119.74 115.77 1i6e s LYS 85 Ca -0.06 1.84 -0.09 0.00 0.02 0.00 0.00 55.97 57.68 1i6e s LYS 85 Cb 0.13 -3.35 0.24 0.00 -0.52 0.00 0.00 37.83 34.33 1i6e s LYS 85 CO 0.80 -0.32 1.84 0.97 -0.92 0.00 0.00 175.35 177.72 1i6e h ILE 86 N 4.50 1.05 -0.67 2.17 2.10 -2.01 -3.20 117.51 121.45 1i6e h ILE 86 Ca -0.41 -0.29 0.11 0.00 1.08 0.00 0.00 64.86 65.35 1i6e h ILE 86 Cb 1.21 0.13 -0.08 0.00 -1.09 0.00 0.00 36.82 36.98 1i6e h ILE 86 CO 0.83 0.15 0.25 1.05 -1.08 0.00 0.00 178.15 179.35 1i6e h GLU 87 N 0.84 0.40 -0.36 2.19 4.11 -1.98 0.11 114.58 119.89 1i6e h GLU 87 Ca 0.31 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.73 1i6e h GLU 87 Cb 0.10 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1i6e h GLU 87 CO -0.15 0.26 0.22 -0.44 0.07 0.00 0.00 179.01 178.98 1i6e h ASP 88 N 0.41 0.37 0.19 3.06 5.19 -1.97 -0.59 116.42 123.08 1i6e h ASP 88 Ca 0.35 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1i6e h ASP 88 Cb 0.48 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1i6e h ASP 88 CO -0.36 0.27 -0.09 0.03 -3.12 0.00 0.00 179.24 175.97 1i6e h ARG 89 N 0.45 -0.25 -0.27 3.56 3.08 -1.50 -2.72 114.38 116.73 1i6e h ARG 89 Ca 0.14 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1i6e h ARG 89 Cb -0.01 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1i6e h ARG 89 CO -0.06 0.00 0.18 0.00 -1.07 0.00 0.00 179.97 179.03 1i6e h ALA 90 N 0.29 0.35 -0.36 0.04 0.00 -0.80 -0.03 119.26 118.75 1i6e h ALA 90 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i6e h ALA 90 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i6e h ALA 90 CO 0.04 -0.17 0.23 -0.91 0.00 0.00 0.00 179.25 178.44 1i6e h ASN 91 N 0.37 0.41 -0.23 0.00 2.35 -1.24 -1.72 115.58 115.51 1i6e h ASN 91 Ca 0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1i6e h ASN 91 Cb -0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1i6e h ASN 91 CO -0.02 0.30 0.15 0.25 -1.65 0.00 0.00 177.43 176.46 1i6e h LEU 92 N 0.48 0.26 -0.70 1.61 5.85 -1.42 -1.35 115.31 120.04 1i6e h LEU 92 Ca 0.13 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1i6e h LEU 92 Cb -0.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1i6e h LEU 92 CO -0.03 0.19 0.43 0.40 -0.34 0.00 0.00 178.44 179.10 1i6e h ILE 93 N 0.31 1.08 -0.63 4.05 2.04 -1.03 -0.74 117.51 122.59 1i6e h ILE 93 Ca 0.08 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1i6e h ILE 93 Cb -0.03 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.15 1i6e h ILE 93 CO -0.02 0.15 0.28 0.00 0.00 0.00 0.00 178.15 178.56 1i6e h ALA 94 N 1.30 0.84 -0.33 1.87 0.00 -1.26 0.83 119.26 122.51 1i6e h ALA 94 Ca 0.28 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1i6e h ALA 94 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1i6e h ALA 94 CO -0.12 -0.13 0.13 -0.92 0.00 0.00 0.00 179.25 178.22 1i6e h TYR 95 N 0.49 0.23 -0.11 0.00 3.20 -0.98 -1.69 116.97 118.11 1i6e h TYR 95 Ca 0.31 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 1i6e h TYR 95 Cb 0.34 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1i6e h TYR 95 CO -0.14 0.11 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.21 1i6e h LEU 96 N 0.28 0.17 -0.93 2.82 3.38 -0.99 -0.92 115.31 119.12 1i6e h LEU 96 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1i6e h LEU 96 Cb 0.10 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1i6e h LEU 96 CO -0.14 0.39 0.58 -0.33 0.09 0.00 0.00 178.44 179.04 1i6e h GLU 97 N 0.17 1.25 -0.12 1.13 5.08 -0.79 -3.24 114.58 118.06 1i6e h GLU 97 Ca 0.03 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1i6e h GLU 97 Cb 0.47 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1i6e h GLU 97 CO 0.03 0.86 0.01 0.78 -1.00 0.00 0.00 179.01 179.69 1i6e h GLY 98 N 1.28 0.12 -7.45 -3.84 0.00 -0.86 -3.35 103.07 88.97 1i6e h GLY 98 Ca 0.34 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.94 1i6e h GLY 98 CO -0.07 -0.01 1.73 -1.06 0.00 0.00 0.00 176.54 177.14 1i6e n GLN 99 N -5.10 3.35 0.00 4.80 6.02 -0.39 -5.09 117.38 120.98 1i6e n GLN 99 Ca -0.04 -3.62 0.00 0.00 -0.01 0.00 0.00 57.00 53.33 1i6e n GLN 99 Cb 0.07 -3.12 0.00 0.00 1.02 0.00 0.00 30.24 28.20 1i6e n GLN 99 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09