#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 4.12 -3.08 -5.12 0.00 -1.26 -2.58 120.51 112.59 1i6e n ALA 2 Ca 0.00 -4.72 -0.37 0.00 0.00 0.00 0.00 53.44 48.35 1i6e n ALA 2 Cb 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.89 5.11 0.36 0.00 -1.08 -1.26 -4.84 116.67 113.07 1i6e s ASP 3 Ca 0.34 -0.26 0.15 0.00 -0.52 0.00 0.00 52.55 52.27 1i6e s ASP 3 Cb 0.07 -1.92 0.70 0.00 -1.46 0.00 0.00 42.92 40.32 1i6e s ASP 3 CO -0.03 -0.05 1.78 1.55 0.52 0.00 0.00 175.17 178.93 1i6e h PRO 4 N 8.24 0.00 -0.60 4.34 0.13 -1.85 -1.64 132.00 140.62 1i6e h PRO 4 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1i6e h PRO 4 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1i6e h PRO 4 CO 0.58 0.40 0.21 0.00 -0.23 0.00 0.00 178.00 178.96 1i6e h ALA 5 N 1.60 0.78 -0.32 -0.56 0.00 -1.96 -1.81 119.26 116.99 1i6e h ALA 5 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1i6e h ALA 5 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1i6e h ALA 5 CO 0.05 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1i6e h ALA 6 N 1.07 1.36 -0.98 0.00 0.00 -1.91 -3.32 119.26 115.47 1i6e h ALA 6 Ca 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1i6e h ALA 6 Cb 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1i6e h ALA 6 CO -0.01 0.44 0.64 0.78 0.00 0.00 0.00 179.25 181.10 1i6e h GLY 7 N 0.84 1.38 1.17 0.00 0.00 -0.99 -2.65 103.07 102.82 1i6e h GLY 7 Ca 0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1i6e h GLY 7 CO 0.01 0.51 0.31 1.05 0.00 0.00 0.00 176.54 178.42 1i6e h GLU 8 N 1.33 1.06 -0.81 4.80 4.11 -1.43 -0.00 114.58 123.63 1i6e h GLU 8 Ca 0.36 -0.17 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 1i6e h GLU 8 Cb -0.14 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 28.89 1i6e h GLU 8 CO -0.08 0.85 0.41 1.57 0.07 0.00 0.00 179.01 181.84 1i6e h LYS 9 N 1.04 1.15 -0.84 1.06 2.10 -1.65 -3.06 116.57 116.37 1i6e h LYS 9 Ca 0.25 -0.15 -0.03 0.00 -2.00 0.00 0.00 60.65 58.72 1i6e h LYS 9 Cb 0.17 -0.22 -0.04 0.00 -0.90 0.00 0.00 32.23 31.25 1i6e h LYS 9 CO -0.02 0.87 0.43 0.28 -2.00 0.00 0.00 179.45 179.00 1i6e h VAL 10 N 1.14 1.25 0.00 0.07 2.07 -1.35 -2.67 116.25 116.76 1i6e h VAL 10 Ca 0.28 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1i6e h VAL 10 Cb 0.08 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1i6e h VAL 10 CO -0.04 0.30 0.25 0.15 0.02 0.00 0.00 177.57 178.25 1i6e h PHE 11 N 1.19 0.00 -1.16 1.57 3.04 -0.92 -2.41 116.94 118.24 1i6e h PHE 11 Ca 0.29 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.60 1i6e h PHE 11 Cb 0.09 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 38.47 1i6e h PHE 11 CO 0.01 0.00 0.73 0.78 -2.02 0.00 0.00 178.31 177.81 1i6e h GLY 12 N 0.00 1.45 1.31 2.40 0.00 -1.38 0.36 103.07 107.21 1i6e h GLY 12 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1i6e h GLY 12 CO 0.00 -0.35 -0.03 0.50 0.00 0.00 0.00 176.54 176.67 1i6e h LYS 13 N 0.23 0.83 0.12 4.80 1.57 -1.64 -3.36 116.57 119.12 1i6e h LYS 13 Ca 0.73 -0.24 -0.27 0.00 -1.87 0.00 0.00 60.65 59.00 1i6e h LYS 13 Cb 2.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1i6e h LYS 13 CO -0.43 0.85 -1.24 0.00 -0.57 0.00 0.00 179.45 178.07 1i6e h LYS 15 N 0.07 0.32 -0.69 0.00 2.10 -1.13 -1.02 116.57 116.22 1i6e h LYS 15 Ca -0.13 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1i6e h LYS 15 Cb 1.96 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 33.18 1i6e h LYS 15 CO 0.20 0.21 0.45 0.00 -2.00 0.00 0.00 179.45 178.31 1i6e h ALA 16 N 1.76 1.72 0.06 0.07 0.00 -1.81 -3.30 119.26 117.76 1i6e h ALA 16 Ca 0.20 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.73 1i6e h ALA 16 Cb 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1i6e h ALA 16 CO -0.05 0.18 -2.05 0.00 0.00 0.00 0.00 179.25 177.33 1i6e s HIS 18 N -2.51 3.06 0.10 0.00 3.76 -0.42 -1.65 115.29 117.63 1i6e s HIS 18 Ca -0.28 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.77 1i6e s HIS 18 Cb 0.08 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 1i6e s HIS 18 CO 0.67 0.44 -0.04 0.15 -0.85 0.00 0.00 174.74 175.10 1i6e s LYS 19 N -1.28 2.36 -0.33 1.40 1.02 -1.26 -4.24 119.74 117.42 1i6e s LYS 19 Ca 0.17 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.30 1i6e s LYS 19 Cb -0.11 -2.43 0.48 0.00 -0.52 0.00 0.00 37.83 35.25 1i6e s LYS 19 CO 0.07 0.52 1.45 1.28 -0.92 0.00 0.00 175.35 177.75 1i6e n LEU 20 N 0.58 4.61 -3.16 3.17 4.77 -1.26 -1.44 117.00 124.27 1i6e n LEU 20 Ca -0.12 -4.09 -0.20 0.00 -0.03 0.00 0.00 56.01 51.58 1i6e n LEU 20 Cb 0.52 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1i6e n LEU 20 CO 0.37 1.51 -0.18 0.47 -1.33 0.00 0.00 177.39 178.22 1i6e n ASP 21 N -1.01 1.31 0.00 -1.43 9.92 -1.26 -4.87 116.55 119.21 1i6e n ASP 21 Ca 0.38 -3.09 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 1i6e n ASP 21 Cb 0.96 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1i6e n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i6e n GLY 22 N 0.28 1.00 3.80 0.44 0.00 -1.26 -4.95 105.19 104.50 1i6e n GLY 22 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 6.29 -0.18 1.61 0.01 -1.26 -4.72 114.94 116.69 1i6e s ASN 23 Ca 0.00 1.85 -0.08 0.00 -0.71 0.00 0.00 52.86 53.92 1i6e s ASN 23 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1i6e s ASN 23 CO 0.00 -0.82 0.10 -1.81 -1.51 0.00 0.00 177.10 173.06 1i6e s ASP 24 N -2.28 5.94 0.00 -1.22 1.01 -1.26 -4.05 116.67 114.80 1i6e s ASP 24 Ca 0.65 0.19 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1i6e s ASP 24 Cb -0.15 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1i6e s ASP 24 CO 0.24 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.44 1i6e n GLY 25 N 3.32 0.31 0.09 0.21 0.00 -1.26 -4.99 105.19 102.87 1i6e n GLY 25 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 1.62 -2.01 1.61 2.07 -1.61 -3.46 116.25 114.48 1i6e h VAL 26 Ca 0.00 -2.20 -0.43 0.00 0.82 0.00 0.00 66.70 64.88 1i6e h VAL 26 Cb 0.00 3.07 0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1i6e h VAL 26 CO 0.00 0.60 -0.17 -0.83 0.02 0.00 0.00 177.57 177.18 1i6e s GLY 27 N -4.12 1.82 0.92 2.17 0.00 -0.69 -5.02 107.32 102.40 1i6e s GLY 27 Ca -0.16 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 1i6e s GLY 27 CO 0.74 -1.25 1.09 2.56 0.00 0.00 0.00 173.10 176.24 1i6e s PRO 28 N -4.49 1.05 0.06 2.90 0.04 -1.26 -4.55 135.00 128.74 1i6e s PRO 28 Ca 0.54 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1i6e s PRO 28 Cb -0.10 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1i6e s PRO 28 CO 0.35 -2.36 1.79 -3.38 0.04 0.00 0.00 177.00 173.45 1i6e s HIS 29 N -2.96 1.97 -2.14 0.56 -3.43 -1.26 -4.17 115.29 103.86 1i6e s HIS 29 Ca 0.64 -0.01 0.16 0.00 -0.80 0.00 0.00 55.06 55.05 1i6e s HIS 29 Cb -0.18 -4.10 0.63 0.00 -1.43 0.00 0.00 32.58 27.50 1i6e s HIS 29 CO 0.57 -4.64 1.46 1.28 -2.00 0.00 0.00 174.74 171.40 1i6e n LEU 30 N 6.33 1.39 -4.64 5.38 4.77 -0.52 -4.80 117.00 124.90 1i6e n LEU 30 Ca 0.18 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1i6e n LEU 30 Cb 0.40 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1i6e n LEU 30 CO 0.65 0.31 1.56 0.20 -1.33 0.00 0.00 177.39 178.78 1i6e s ASN 31 N -1.38 6.29 -0.45 -1.43 0.01 -1.26 -3.40 114.94 113.32 1i6e s ASN 31 Ca 0.27 2.25 -0.02 0.00 -0.71 0.00 0.00 52.86 54.65 1i6e s ASN 31 Cb 0.14 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1i6e s ASN 31 CO 0.21 -1.24 0.39 0.61 -1.51 0.00 0.00 177.10 175.56 1i6e n GLY 32 N 4.71 0.31 0.08 0.66 0.00 0.02 -4.88 105.19 106.09 1i6e n GLY 32 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.83 1.03 -2.72 1.61 3.04 -1.80 -3.40 116.25 113.18 1i6e h VAL 33 Ca -0.20 -2.84 -0.55 0.00 -1.01 0.00 0.00 66.70 62.09 1i6e h VAL 33 Cb 1.13 2.52 -0.04 0.00 -2.01 0.00 0.00 31.29 32.89 1i6e h VAL 33 CO 0.19 0.61 1.20 -0.69 -1.01 0.00 0.00 177.57 177.87 1i6e s VAL 34 N -2.62 3.62 0.00 1.51 1.01 -1.26 -1.36 120.40 121.30 1i6e s VAL 34 Ca -0.04 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1i6e s VAL 34 Cb 0.08 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1i6e s VAL 34 CO 0.82 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1i6e n GLY 35 N 5.36 0.89 3.78 4.51 0.00 0.09 -4.99 105.19 114.82 1i6e n GLY 35 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.73 4.44 0.34 1.61 3.52 -0.47 -4.57 118.95 123.09 1i6e s ARG 36 Ca 0.00 1.50 -0.27 0.00 -0.13 0.00 0.00 55.73 56.83 1i6e s ARG 36 Cb 0.00 -2.79 -0.13 0.00 -1.56 0.00 0.00 34.95 30.47 1i6e s ARG 36 CO 0.00 0.11 1.08 2.41 -0.81 0.00 0.00 175.30 178.09 1i6e n THR 37 N 0.47 2.11 -2.11 4.11 -1.04 -1.26 -0.09 114.28 116.46 1i6e n THR 37 Ca 0.02 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.11 1i6e n THR 37 Cb 0.49 -1.19 -0.02 0.00 -1.82 0.00 0.00 70.33 67.78 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 -1.13 3.65 -0.42 12.58 1.01 -0.35 -1.83 120.40 133.91 1i6e s VAL 38 Ca 0.59 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1i6e s VAL 38 Cb -0.63 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 1i6e s VAL 38 CO 0.60 -0.42 0.39 0.00 0.00 0.00 0.00 175.10 175.66 1i6e n ALA 39 N 9.22 -1.83 -0.02 5.51 0.00 -1.26 -4.61 120.51 127.51 1i6e n ALA 39 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.69 1i6e n ALA 39 Cb 0.46 -1.56 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.38 -0.58 3.51 0.00 0.00 -0.76 -4.89 105.19 101.09 1i6e n GLY 40 Ca -0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.69 3.99 -0.49 1.61 1.01 -1.26 -4.92 120.40 117.64 1i6e s VAL 41 Ca -0.05 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1i6e s VAL 41 Cb 0.07 -4.84 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 1i6e s VAL 41 CO 0.52 -1.71 1.80 -0.62 0.00 0.00 0.00 175.10 175.08 1i6e s ASP 42 N 3.81 5.60 0.00 3.32 2.15 -1.26 -2.06 116.67 128.23 1i6e s ASP 42 Ca 0.31 0.74 0.00 0.00 0.43 0.00 0.00 52.55 54.03 1i6e s ASP 42 Cb -0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1i6e s ASP 42 CO 0.10 -2.04 0.00 0.61 -0.17 0.00 0.00 175.17 173.67 1i6e n GLY 43 N 5.54 3.25 3.71 2.66 0.00 -1.26 -5.12 105.19 113.96 1i6e n GLY 43 Ca 0.21 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 3.58 -0.90 1.61 5.36 -0.87 -5.02 117.98 121.74 1i6e s PHE 44 Ca 0.00 1.60 -0.25 0.00 -0.96 0.00 0.00 56.93 57.33 1i6e s PHE 44 Cb 0.00 -3.19 0.03 0.00 -0.34 0.00 0.00 43.02 39.52 1i6e s PHE 44 CO 0.00 -0.29 1.48 0.54 -1.46 0.00 0.00 175.22 175.48 1i6e s ASN 45 N 1.05 6.19 0.70 6.13 4.22 -1.26 -4.92 114.94 127.05 1i6e s ASN 45 Ca 0.53 -0.97 -0.11 0.00 -2.14 0.00 0.00 52.86 50.16 1i6e s ASN 45 Cb -0.22 -2.56 0.01 0.00 1.28 0.00 0.00 41.25 39.76 1i6e s ASN 45 CO 0.26 -1.79 1.06 -0.31 -2.04 0.00 0.00 177.10 174.29 1i6e s TYR 46 N 5.97 3.17 0.64 1.54 2.02 -1.26 -5.07 117.35 124.37 1i6e s TYR 46 Ca 0.47 1.33 -0.17 0.00 -0.37 0.00 0.00 57.07 58.32 1i6e s TYR 46 Cb -0.04 -2.91 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1i6e s TYR 46 CO 0.00 -1.23 1.19 0.45 -1.57 0.00 0.00 175.55 174.39 1i6e s SER 47 N -3.92 4.90 0.10 2.29 0.15 -1.26 -4.86 113.70 111.11 1i6e s SER 47 Ca 0.58 2.30 -0.22 0.00 0.70 0.00 0.00 55.95 59.31 1i6e s SER 47 Cb -0.13 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.48 1i6e s SER 47 CO 0.54 -1.78 1.75 0.44 1.20 0.00 0.00 173.24 175.39 1i6e h ASP 48 N 0.39 0.04 0.39 5.45 3.32 -1.98 -1.27 116.42 122.77 1i6e h ASP 48 Ca -0.49 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1i6e h ASP 48 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1i6e h ASP 48 CO 0.53 0.04 -0.04 1.55 -1.72 0.00 0.00 179.24 179.60 1i6e h PRO 49 N 0.07 0.00 0.09 3.56 0.13 -1.86 -0.33 132.00 133.67 1i6e h PRO 49 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1i6e h PRO 49 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1i6e h PRO 49 CO -0.03 0.04 -0.04 1.98 -0.23 0.00 0.00 178.00 179.71 1i6e h MET 50 N 0.00 -0.12 -0.51 0.86 -1.53 -1.77 -2.78 114.93 109.07 1i6e h MET 50 Ca -0.00 0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.30 1i6e h MET 50 Cb 0.24 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.28 1i6e h MET 50 CO 0.00 0.22 0.28 0.87 0.14 0.00 0.00 176.91 178.43 1i6e h LYS 51 N -0.47 0.54 0.00 0.39 1.57 -1.11 -3.07 116.57 114.42 1i6e h LYS 51 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1i6e h LYS 51 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1i6e h LYS 51 CO 0.02 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 1i6e n ALA 52 N -2.30 2.41 0.01 3.86 0.00 -0.15 -4.44 120.51 119.91 1i6e n ALA 52 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1i6e n ALA 52 Cb 0.11 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 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 0.02 -2.30 0.00 6.17 -1.38 -3.50 115.15 114.17 1i6e h HIS 53 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1i6e h HIS 53 Cb 0.00 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1i6e h HIS 53 CO 0.00 0.21 0.00 0.41 0.71 0.00 0.00 177.93 179.26 1i6e n GLY 54 N -0.58 -0.58 0.00 5.26 0.00 -1.26 -5.10 105.19 102.92 1i6e n GLY 54 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.34 -0.53 3.33 -0.02 0.00 -1.26 -5.06 105.19 101.31 1i6e n GLY 55 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 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 2.65 -1.24 1.61 1.01 -1.26 -1.21 116.67 114.23 1i6e s ASP 56 Ca 0.00 -0.86 -0.18 0.00 0.71 0.00 0.00 52.55 52.22 1i6e s ASP 56 Cb 0.00 -0.15 -0.01 0.00 1.01 0.00 0.00 42.92 43.77 1i6e s ASP 56 CO 0.00 -0.04 1.98 0.79 0.21 0.00 0.00 175.17 178.12 1i6e n TRP 57 N 0.31 3.41 -1.35 4.23 7.02 0.87 -4.82 117.44 127.12 1i6e n TRP 57 Ca -0.13 -2.49 -0.31 0.00 -1.02 0.00 0.00 57.50 53.55 1i6e n TRP 57 Cb 0.57 -2.42 0.09 0.00 -2.42 0.00 0.00 31.31 27.13 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 4.98 3.36 0.57 -0.99 -4.23 -1.26 -0.73 115.64 117.35 1i6e s THR 58 Ca 0.54 0.44 0.26 0.00 -1.18 0.00 0.00 61.69 61.76 1i6e s THR 58 Cb 0.09 -3.01 0.34 0.00 1.34 0.00 0.00 72.50 71.26 1i6e s THR 58 CO 0.03 -0.58 2.16 1.55 -0.54 0.00 0.00 174.62 177.25 1i6e h PRO 59 N -1.10 0.00 0.54 3.99 0.13 -1.97 0.34 132.00 133.93 1i6e h PRO 59 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1i6e h PRO 59 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1i6e h PRO 59 CO 0.54 0.00 -0.26 1.49 -0.23 0.00 0.00 178.00 179.54 1i6e h GLU 60 N 0.00 -0.70 -0.73 0.86 4.22 -1.98 -2.86 114.58 113.38 1i6e h GLU 60 Ca 0.05 0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.54 1i6e h GLU 60 Cb 0.24 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1i6e h GLU 60 CO -0.00 -0.39 0.48 0.00 -2.18 0.00 0.00 179.01 176.92 1i6e h ALA 61 N -0.67 0.93 -0.05 2.92 0.00 -1.78 -2.49 119.26 118.12 1i6e h ALA 61 Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1i6e h ALA 61 Cb 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1i6e h ALA 61 CO 0.12 0.35 -0.04 -0.07 0.00 0.00 0.00 179.25 179.61 1i6e h LEU 62 N 0.99 -0.13 -1.31 0.00 3.38 -1.10 -1.34 115.31 115.80 1i6e h LEU 62 Ca 0.27 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1i6e h LEU 62 Cb -0.11 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1i6e h LEU 62 CO -0.06 -0.06 0.24 0.06 0.09 0.00 0.00 178.44 178.71 1i6e h GLN 63 N -0.05 0.71 0.06 1.13 3.07 -1.47 0.78 115.11 119.34 1i6e h GLN 63 Ca 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1i6e h GLN 63 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.53 1i6e h GLN 63 CO -0.08 0.55 -0.03 0.93 0.09 0.00 0.00 178.83 180.30 1i6e h GLU 64 N 0.71 -0.08 -0.95 0.06 4.39 -1.45 -1.54 114.58 115.72 1i6e h GLU 64 Ca 0.18 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1i6e h GLU 64 Cb 0.09 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1i6e h GLU 64 CO -0.02 0.27 0.63 0.35 -1.16 0.00 0.00 179.01 179.08 1i6e h PHE 65 N -0.44 1.19 0.00 4.33 3.57 -1.19 -2.21 116.94 122.18 1i6e h PHE 65 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1i6e h PHE 65 Cb 0.39 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1i6e h PHE 65 CO 0.04 0.74 0.00 -0.07 -2.23 0.00 0.00 178.31 176.79 1i6e h LEU 66 N 1.27 0.00 0.42 0.59 3.38 -0.94 -1.62 115.31 118.41 1i6e h LEU 66 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1i6e h LEU 66 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1i6e h LEU 66 CO -0.09 0.00 -0.20 0.74 0.09 0.00 0.00 178.44 178.98 1i6e h THR 67 N 0.00 0.42 -2.52 0.22 2.02 -0.96 0.23 112.91 112.32 1i6e h THR 67 Ca 0.00 -0.56 -0.32 0.00 0.77 0.00 0.00 66.41 66.30 1i6e h THR 67 Cb 0.60 0.62 -0.36 0.00 -1.74 0.00 0.00 68.15 67.28 1i6e h THR 67 CO 0.00 0.08 -0.63 0.21 0.37 0.00 0.00 175.52 175.55 1i6e s ASN 68 N -4.92 1.42 0.07 4.18 3.84 -0.86 -4.09 114.94 114.58 1i6e s ASN 68 Ca -0.13 -0.26 -0.15 0.00 0.21 0.00 0.00 52.86 52.53 1i6e s ASN 68 Cb 0.02 0.37 -0.20 0.00 -0.55 0.00 0.00 41.25 40.89 1i6e s ASN 68 CO 0.47 -0.33 1.22 1.55 -2.79 0.00 0.00 177.10 177.22 1i6e h PRO 69 N 8.31 0.66 -0.90 0.43 0.13 -1.51 -3.10 132.00 136.02 1i6e h PRO 69 Ca -0.17 -0.62 0.05 0.00 -0.87 0.00 0.00 66.00 64.39 1i6e h PRO 69 Cb 1.15 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1i6e h PRO 69 CO 0.29 1.22 0.59 0.87 -0.23 0.00 0.00 178.00 180.74 1i6e h LYS 70 N 0.32 1.06 -0.43 0.86 1.79 -1.86 -0.76 116.57 117.55 1i6e h LYS 70 Ca -0.08 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.26 1i6e h LYS 70 Cb 1.45 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1i6e h LYS 70 CO 0.16 0.70 -0.00 0.00 -1.08 0.00 0.00 179.45 179.23 1i6e h ALA 71 N 1.49 0.58 0.07 3.86 0.00 -1.98 -3.18 119.26 120.11 1i6e h ALA 71 Ca 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i6e h ALA 71 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1i6e h ALA 71 CO -0.12 0.38 -0.03 0.28 0.00 0.00 0.00 179.25 179.75 1i6e h VAL 72 N 0.60 1.22 -3.40 0.00 2.07 -1.47 -3.40 116.25 111.87 1i6e h VAL 72 Ca 0.12 -1.24 -0.71 0.00 0.82 0.00 0.00 66.70 65.69 1i6e h VAL 72 Cb 0.50 2.00 -0.31 0.00 -1.52 0.00 0.00 31.29 31.96 1i6e h VAL 72 CO 0.02 0.30 -0.46 -0.69 0.02 0.00 0.00 177.57 176.75 1i6e s VAL 73 N -3.80 3.92 -0.83 2.57 1.01 -0.30 -5.06 120.40 117.90 1i6e s VAL 73 Ca -0.15 -1.75 -0.25 0.00 0.00 0.00 0.00 61.98 59.83 1i6e s VAL 73 Cb 0.01 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1i6e s VAL 73 CO 0.61 -0.66 1.63 -0.75 0.00 0.00 0.00 175.10 175.92 1i6e s LYS 74 N 1.31 3.01 0.00 2.72 2.20 -1.20 -2.55 119.74 125.23 1i6e s LYS 74 Ca 0.05 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1i6e s LYS 74 Cb -0.24 -4.78 0.00 0.00 -1.51 0.00 0.00 37.83 31.29 1i6e s LYS 74 CO -0.01 -2.61 0.00 0.41 -0.36 0.00 0.00 175.35 172.78 1i6e n GLY 75 N 6.25 1.71 3.74 5.54 0.00 -1.26 -4.78 105.19 116.39 1i6e n GLY 75 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 3.38 -2.00 2.61 -1.32 -1.06 -4.65 115.64 110.60 1i6e s THR 76 Ca 0.00 1.21 0.07 0.00 -1.21 0.00 0.00 61.69 61.76 1i6e s THR 76 Cb 0.00 -3.77 0.19 0.00 -1.51 0.00 0.00 72.50 67.41 1i6e s THR 76 CO 0.00 0.22 1.00 2.29 -2.21 0.00 0.00 174.62 175.92 1i6e n LYS 77 N 2.10 0.70 -2.18 7.08 2.85 -1.26 -4.76 118.16 122.68 1i6e n LYS 77 Ca 0.03 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.90 1i6e n LYS 77 Cb 0.44 -1.15 -0.03 0.00 -0.65 0.00 0.00 35.03 33.64 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 2.82 -1.36 -1.58 1.75 -1.26 -4.95 119.30 112.72 1i6e s MET 78 Ca 0.10 0.42 -0.16 0.00 -1.25 0.00 0.00 55.69 54.80 1i6e s MET 78 Cb 0.05 -4.32 0.06 0.00 2.84 0.00 0.00 34.83 33.46 1i6e s MET 78 CO 0.08 -2.52 1.94 0.00 -0.65 0.00 0.00 175.02 173.87 1i6e n ALA 79 N 11.68 4.45 -3.50 4.11 0.00 -1.26 -4.83 120.51 131.15 1i6e n ALA 79 Ca 0.16 -3.89 -0.16 0.00 0.00 0.00 0.00 53.44 49.55 1i6e n ALA 79 Cb 0.51 -3.54 -0.16 0.00 0.00 0.00 0.00 19.45 16.26 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 3.60 0.27 -0.03 0.00 5.36 -1.26 -5.10 117.98 120.82 1i6e s PHE 80 Ca 0.50 -0.00 -0.21 0.00 -0.96 0.00 0.00 56.93 56.26 1i6e s PHE 80 Cb 0.08 -0.33 -0.14 0.00 -0.34 0.00 0.00 43.02 42.28 1i6e s PHE 80 CO 0.00 -0.10 0.94 0.00 -1.46 0.00 0.00 175.22 174.61 1i6e h ALA 81 N 6.97 -0.37 0.00 11.12 0.00 -1.96 -3.42 119.26 131.60 1i6e h ALA 81 Ca -0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1i6e h ALA 81 Cb 1.15 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1i6e h ALA 81 CO 0.49 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1i6e n GLY 82 N 0.24 3.81 3.40 0.00 0.00 -1.26 -4.46 105.19 106.92 1i6e n GLY 82 Ca -0.08 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 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 5.45 0.20 0.99 1.43 0.79 -5.00 118.68 122.55 1i6e s LEU 83 Ca 0.00 -1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 51.82 1i6e s LEU 83 Cb 0.00 -2.28 0.15 0.00 0.03 0.00 0.00 46.19 44.09 1i6e s LEU 83 CO 0.00 -0.79 1.54 1.55 0.23 0.00 0.00 176.35 178.88 1i6e h PRO 84 N 8.88 0.57 -6.56 1.29 0.13 -1.87 -3.39 132.00 131.05 1i6e h PRO 84 Ca -0.28 -0.33 -0.52 0.00 -0.87 0.00 0.00 66.00 64.00 1i6e h PRO 84 Cb 1.10 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1i6e h PRO 84 CO 0.94 0.93 0.40 0.15 -0.23 0.00 0.00 178.00 180.19 1i6e s LYS 85 N -4.11 4.64 0.24 0.86 1.02 -1.26 -5.00 119.74 116.12 1i6e s LYS 85 Ca -0.07 1.53 -0.06 0.00 0.02 0.00 0.00 55.97 57.38 1i6e s LYS 85 Cb 0.12 -3.36 0.29 0.00 -0.52 0.00 0.00 37.83 34.36 1i6e s LYS 85 CO 0.84 0.12 1.87 0.97 -0.92 0.00 0.00 175.35 178.22 1i6e h ILE 86 N 4.10 1.10 -0.45 2.17 6.09 -2.01 -3.10 117.51 125.40 1i6e h ILE 86 Ca -0.43 -0.35 0.07 0.00 -1.37 0.00 0.00 64.86 62.77 1i6e h ILE 86 Cb 1.21 -0.03 -0.06 0.00 0.47 0.00 0.00 36.82 38.42 1i6e h ILE 86 CO 0.73 0.19 0.12 1.05 -3.07 0.00 0.00 178.15 177.17 1i6e h GLU 87 N 1.03 0.26 -0.77 2.19 4.11 -1.95 0.37 114.58 119.83 1i6e h GLU 87 Ca 0.36 -0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.84 1i6e h GLU 87 Cb 0.08 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1i6e h GLU 87 CO -0.14 0.17 0.45 -0.44 0.07 0.00 0.00 179.01 179.12 1i6e h ASP 88 N 0.27 0.67 0.31 3.06 5.19 -1.85 0.14 116.42 124.21 1i6e h ASP 88 Ca 0.22 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1i6e h ASP 88 Cb 0.25 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1i6e h ASP 88 CO -0.26 0.42 -0.15 0.03 -3.12 0.00 0.00 179.24 176.16 1i6e h ARG 89 N 0.80 -0.40 -0.69 3.56 3.08 -1.43 -2.55 114.38 116.74 1i6e h ARG 89 Ca 0.35 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.45 1i6e h ARG 89 Cb 0.23 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1i6e h ARG 89 CO -0.20 -0.13 0.44 0.00 -1.07 0.00 0.00 179.97 179.01 1i6e h ALA 90 N -0.04 0.90 -0.02 0.04 0.00 -0.88 -0.32 119.26 118.94 1i6e h ALA 90 Ca -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1i6e h ALA 90 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1i6e h ALA 90 CO 0.07 0.23 -0.15 -0.91 0.00 0.00 0.00 179.25 178.49 1i6e h ASN 91 N 0.87 -0.44 -0.48 0.00 2.35 -0.44 -0.60 115.58 116.84 1i6e h ASN 91 Ca 0.27 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 56.14 1i6e h ASN 91 Cb -0.00 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1i6e h ASN 91 CO -0.10 -0.20 0.23 0.25 -1.65 0.00 0.00 177.43 175.96 1i6e h LEU 92 N -0.24 0.32 -0.83 1.61 5.85 -1.41 -1.98 115.31 118.63 1i6e h LEU 92 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1i6e h LEU 92 Cb 0.31 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1i6e h LEU 92 CO -0.16 0.22 0.53 0.40 -0.34 0.00 0.00 178.44 179.09 1i6e h ILE 93 N 0.45 1.22 -0.72 4.05 2.04 -1.00 -0.43 117.51 123.12 1i6e h ILE 93 Ca 0.21 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1i6e h ILE 93 Cb 0.14 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 1i6e h ILE 93 CO -0.16 0.22 0.38 0.00 0.00 0.00 0.00 178.15 178.59 1i6e h ALA 94 N 1.29 1.00 -0.53 1.87 0.00 -1.00 0.56 119.26 122.44 1i6e h ALA 94 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1i6e h ALA 94 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1i6e h ALA 94 CO -0.06 0.01 0.34 -0.92 0.00 0.00 0.00 179.25 178.61 1i6e h TYR 95 N 0.66 0.68 0.00 0.00 3.20 -1.08 -2.07 116.97 118.36 1i6e h TYR 95 Ca 0.35 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 1i6e h TYR 95 Cb 0.32 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1i6e h TYR 95 CO -0.09 0.45 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.56 1i6e h LEU 96 N 0.72 0.00 -0.67 2.82 3.38 -0.89 0.91 115.31 121.58 1i6e h LEU 96 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1i6e h LEU 96 Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1i6e h LEU 96 CO -0.04 0.25 0.23 -0.33 0.09 0.00 0.00 178.44 178.64 1i6e h GLU 97 N 0.00 1.02 -0.18 1.13 5.08 -0.84 -3.28 114.58 117.51 1i6e h GLU 97 Ca -0.00 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1i6e h GLU 97 Cb 0.55 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1i6e h GLU 97 CO 0.03 0.88 0.11 0.78 -1.00 0.00 0.00 179.01 179.82 1i6e h GLY 98 N 0.96 0.26 -7.47 -3.84 0.00 -1.00 -3.38 103.07 88.60 1i6e h GLY 98 Ca 0.22 -0.11 -0.59 0.00 0.00 0.00 0.00 47.33 46.85 1i6e h GLY 98 CO -0.01 0.10 1.71 1.20 0.00 0.00 0.00 176.54 179.54 1i6e s GLN 99 N -6.06 3.59 0.00 4.80 -1.52 0.28 -5.05 119.66 115.70 1i6e s GLN 99 Ca -0.13 -1.44 0.00 0.00 -1.95 0.00 0.00 55.36 51.84 1i6e s GLN 99 Cb 0.08 -5.41 0.00 0.00 -0.22 0.00 0.00 33.01 27.46 1i6e s GLN 99 CO 0.69 -2.46 0.47 1.04 -0.25 0.00 0.00 175.29 174.78