#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 4.67 -3.02 3.04 0.00 -1.26 -2.19 120.51 121.74 1i6e n ALA 2 Ca 0.00 -4.76 -0.38 0.00 0.00 0.00 0.00 53.44 48.30 1i6e n ALA 2 Cb 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 17.92 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 5.33 0.38 0.00 -1.08 -1.26 -4.87 116.67 112.82 1i6e s ASP 3 Ca 0.39 -0.60 0.17 0.00 -0.52 0.00 0.00 52.55 51.98 1i6e s ASP 3 Cb 0.14 -1.94 0.76 0.00 -1.46 0.00 0.00 42.92 40.43 1i6e s ASP 3 CO -0.01 -0.19 1.80 1.55 0.52 0.00 0.00 175.17 178.85 1i6e h PRO 4 N 8.29 0.00 -0.66 4.34 0.13 -1.85 -1.60 132.00 140.65 1i6e h PRO 4 Ca -0.32 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1i6e h PRO 4 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1i6e h PRO 4 CO 0.61 0.37 0.25 0.00 -0.23 0.00 0.00 178.00 179.00 1i6e h ALA 5 N 1.63 0.86 -0.17 -0.56 0.00 -1.96 -1.75 119.26 117.32 1i6e h ALA 5 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1i6e h ALA 5 Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1i6e h ALA 5 CO 0.05 0.49 -0.24 0.00 0.00 0.00 0.00 179.25 179.54 1i6e h ALA 6 N 1.11 1.28 -0.81 0.00 0.00 -1.91 -3.33 119.26 115.59 1i6e h ALA 6 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i6e h ALA 6 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1i6e h ALA 6 CO -0.02 0.48 0.49 0.78 0.00 0.00 0.00 179.25 180.99 1i6e h GLY 7 N 0.97 1.17 1.14 0.00 0.00 -1.00 -2.73 103.07 102.62 1i6e h GLY 7 Ca 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1i6e h GLY 7 CO 0.04 0.47 0.40 1.05 0.00 0.00 0.00 176.54 178.49 1i6e h GLU 8 N 1.12 1.12 -0.71 4.80 4.11 -1.43 0.37 114.58 123.95 1i6e h GLU 8 Ca 0.29 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 1i6e h GLU 8 Cb -0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1i6e h GLU 8 CO -0.06 0.85 0.37 1.57 0.07 0.00 0.00 179.01 181.82 1i6e h LYS 9 N 1.12 1.00 -0.77 1.06 2.10 -1.66 -3.11 116.57 116.31 1i6e h LYS 9 Ca 0.27 -0.13 -0.04 0.00 -2.00 0.00 0.00 60.65 58.76 1i6e h LYS 9 Cb 0.09 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.19 1i6e h LYS 9 CO -0.04 0.76 0.34 0.28 -2.00 0.00 0.00 179.45 178.79 1i6e h VAL 10 N 0.98 1.25 -0.23 0.07 2.07 -1.37 -3.00 116.25 116.02 1i6e h VAL 10 Ca 0.25 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1i6e h VAL 10 Cb 0.07 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1i6e h VAL 10 CO -0.04 0.31 0.27 0.15 0.02 0.00 0.00 177.57 178.28 1i6e h PHE 11 N 1.10 0.00 -0.74 1.57 3.57 -0.86 -2.66 116.94 118.93 1i6e h PHE 11 Ca 0.26 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.97 1i6e h PHE 11 Cb 0.16 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1i6e h PHE 11 CO 0.02 0.00 0.57 0.78 -2.23 0.00 0.00 178.31 177.44 1i6e h GLY 12 N 0.00 0.00 1.00 2.40 0.00 -1.49 0.51 103.07 105.49 1i6e h GLY 12 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1i6e h GLY 12 CO -0.00 0.00 0.57 0.50 0.00 0.00 0.00 176.54 177.61 1i6e h LYS 13 N 0.00 1.03 0.05 4.80 1.57 -1.68 -3.30 116.57 119.05 1i6e h LYS 13 Ca 0.35 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.81 1i6e h LYS 13 Cb 1.48 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1i6e h LYS 13 CO -0.00 0.68 -1.24 0.00 -0.57 0.00 0.00 179.45 178.32 1i6e h LYS 15 N 0.03 0.13 -0.92 0.00 1.57 -1.23 -0.64 116.57 115.52 1i6e h LYS 15 Ca -0.12 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1i6e h LYS 15 Cb 1.89 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 34.10 1i6e h LYS 15 CO 0.15 0.09 0.59 0.00 -0.57 0.00 0.00 179.45 179.71 1i6e h ALA 16 N 1.77 1.60 0.08 3.86 0.00 -1.83 -3.26 119.26 121.49 1i6e h ALA 16 Ca 0.49 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.08 1i6e h ALA 16 Cb 0.92 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1i6e h ALA 16 CO -0.69 0.20 -1.70 0.00 0.00 0.00 0.00 179.25 177.07 1i6e s HIS 18 N -2.48 2.86 -0.09 0.00 3.76 -0.28 -1.73 115.29 117.33 1i6e s HIS 18 Ca -0.25 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 1i6e s HIS 18 Cb 0.06 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 1i6e s HIS 18 CO 0.71 -0.03 -0.20 0.15 -0.85 0.00 0.00 174.74 174.52 1i6e s LYS 19 N 0.02 2.95 0.00 1.40 3.01 -1.26 -4.09 119.74 121.78 1i6e s LYS 19 Ca -0.03 -0.81 0.29 0.00 -1.01 0.00 0.00 55.97 54.42 1i6e s LYS 19 Cb -0.14 -2.37 1.29 0.00 -1.01 0.00 0.00 37.83 35.61 1i6e s LYS 19 CO 0.04 0.29 1.95 1.28 0.51 0.00 0.00 175.35 179.42 1i6e n LEU 20 N 3.23 0.00 -3.45 3.17 4.77 -1.26 -3.36 117.00 120.11 1i6e n LEU 20 Ca -0.18 0.46 -0.39 0.00 -0.03 0.00 0.00 56.01 55.86 1i6e n LEU 20 Cb 0.53 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1i6e n LEU 20 CO 0.28 0.00 1.28 0.47 -1.33 0.00 0.00 177.39 178.08 1i6e n ASP 21 N -1.46 7.00 -1.90 -1.43 8.00 -1.26 -4.48 116.55 121.02 1i6e n ASP 21 Ca 0.08 -3.71 -0.18 0.00 0.71 0.00 0.00 54.79 51.70 1i6e n ASP 21 Cb 0.32 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.12 40.30 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 -0.15 0.78 3.46 0.44 0.00 -1.26 -5.00 105.19 103.47 1i6e n GLY 22 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.32 5.09 -0.55 1.61 0.01 -1.26 -4.92 114.94 112.60 1i6e s ASN 23 Ca 0.00 -0.18 -0.20 0.00 -0.71 0.00 0.00 52.86 51.77 1i6e s ASN 23 Cb 0.00 -1.90 0.07 0.00 0.41 0.00 0.00 41.25 39.83 1i6e s ASN 23 CO 0.00 0.01 0.70 -1.81 -1.51 0.00 0.00 177.10 174.49 1i6e s ASP 24 N 1.36 6.22 0.00 -1.22 1.01 -1.26 -3.75 116.67 119.03 1i6e s ASP 24 Ca 0.05 -1.01 0.00 0.00 0.71 0.00 0.00 52.55 52.30 1i6e s ASP 24 Cb -0.15 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1i6e s ASP 24 CO 0.03 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 174.99 1i6e n GLY 25 N 5.21 0.47 0.07 0.21 0.00 -1.26 -4.97 105.19 104.92 1i6e n GLY 25 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 1.51 -1.72 1.61 2.07 -1.86 -3.46 116.25 114.40 1i6e h VAL 26 Ca 0.00 -1.57 -0.48 0.00 0.82 0.00 0.00 66.70 65.47 1i6e h VAL 26 Cb 0.00 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1i6e h VAL 26 CO 0.00 0.41 -0.40 -0.83 0.02 0.00 0.00 177.57 176.78 1i6e s GLY 27 N -3.56 1.86 0.98 2.17 0.00 -0.71 -5.03 107.32 103.03 1i6e s GLY 27 Ca -0.17 -1.69 -0.12 0.00 0.00 0.00 0.00 44.72 42.74 1i6e s GLY 27 CO 0.69 -1.57 1.10 2.56 0.00 0.00 0.00 173.10 175.88 1i6e s PRO 28 N -4.09 0.61 0.04 2.90 0.04 -1.26 -4.58 135.00 128.66 1i6e s PRO 28 Ca 0.45 0.49 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 1i6e s PRO 28 Cb -0.06 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 1i6e s PRO 28 CO 0.28 -2.61 1.62 -3.38 0.04 0.00 0.00 177.00 172.96 1i6e s HIS 29 N -3.02 2.40 -2.18 0.56 -3.43 -1.25 -4.27 115.29 104.11 1i6e s HIS 29 Ca 0.65 0.36 0.18 0.00 -0.80 0.00 0.00 55.06 55.44 1i6e s HIS 29 Cb -0.18 -3.92 0.58 0.00 -1.43 0.00 0.00 32.58 27.63 1i6e s HIS 29 CO 0.57 -3.70 1.44 1.28 -2.00 0.00 0.00 174.74 172.33 1i6e n LEU 30 N 5.80 1.90 -4.69 5.38 4.77 -1.21 -4.84 117.00 124.10 1i6e n LEU 30 Ca 0.16 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 1i6e n LEU 30 Cb 0.41 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1i6e n LEU 30 CO 0.62 0.43 1.22 0.54 -1.33 0.00 0.00 177.39 178.86 1i6e s ASN 31 N -1.35 6.72 -0.56 -1.43 2.20 -1.26 -3.78 114.94 115.47 1i6e s ASN 31 Ca 0.30 2.34 -0.01 0.00 -0.94 0.00 0.00 52.86 54.55 1i6e s ASN 31 Cb 0.16 -2.57 -0.01 0.00 -2.00 0.00 0.00 41.25 36.83 1i6e s ASN 31 CO 0.23 -0.79 0.47 0.61 -2.94 0.00 0.00 177.10 174.68 1i6e n GLY 32 N 3.79 -0.00 0.06 0.45 0.00 -0.02 -4.94 105.19 104.54 1i6e n GLY 32 Ca 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.46 0.89 -2.52 1.61 3.14 -1.25 -4.53 118.33 113.21 1i6e n VAL 33 Ca -0.10 -0.56 -0.41 0.00 -2.96 0.00 0.00 64.34 60.31 1i6e n VAL 33 Cb 0.57 -0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 32.69 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 -2.33 3.73 0.00 1.55 1.01 -1.26 -1.56 120.40 121.55 1i6e s VAL 34 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1i6e s VAL 34 Cb 0.04 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1i6e s VAL 34 CO 0.54 -1.74 0.00 0.61 0.00 0.00 0.00 175.10 174.51 1i6e n GLY 35 N 5.36 1.95 3.76 4.51 0.00 0.02 -4.99 105.19 115.82 1i6e n GLY 35 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.76 4.45 0.31 1.61 3.52 -0.60 -4.56 118.95 122.92 1i6e s ARG 36 Ca 0.00 1.88 -0.29 0.00 -0.13 0.00 0.00 55.73 57.19 1i6e s ARG 36 Cb 0.00 -3.04 -0.12 0.00 -1.56 0.00 0.00 34.95 30.23 1i6e s ARG 36 CO 0.00 0.01 1.49 2.41 -0.81 0.00 0.00 175.30 178.40 1i6e n THR 37 N 0.84 1.40 -2.04 4.11 -1.04 -1.26 -0.31 114.28 115.97 1i6e n THR 37 Ca 0.00 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 1i6e n THR 37 Cb 0.45 -1.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.45 3.38 -1.10 12.58 1.01 -0.57 -2.04 120.40 133.20 1i6e s VAL 38 Ca 0.61 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1i6e s VAL 38 Cb -0.53 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1i6e s VAL 38 CO 0.55 -0.02 0.94 0.00 0.00 0.00 0.00 175.10 176.57 1i6e n ALA 39 N 5.90 -1.45 -0.40 5.51 0.00 -1.26 -4.67 120.51 124.13 1i6e n ALA 39 Ca 0.15 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.79 1i6e n ALA 39 Cb 0.42 -3.42 0.18 0.00 0.00 0.00 0.00 19.45 16.63 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 -1.44 3.13 3.56 0.00 0.00 -0.87 -4.94 105.19 104.64 1i6e n GLY 40 Ca -0.13 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.52 4.98 -0.10 1.61 1.01 -1.26 -4.95 120.40 120.17 1i6e s VAL 41 Ca 0.28 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 1i6e s VAL 41 Cb 0.18 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1i6e s VAL 41 CO 0.13 -0.23 1.46 -0.62 0.00 0.00 0.00 175.10 175.85 1i6e s ASP 42 N 1.75 6.80 0.00 3.32 2.15 -1.26 -2.92 116.67 126.52 1i6e s ASP 42 Ca 0.21 1.98 0.00 0.00 0.43 0.00 0.00 52.55 55.16 1i6e s ASP 42 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1i6e s ASP 42 CO 0.13 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1i6e n GLY 43 N 3.87 1.05 2.76 2.66 0.00 -1.26 -5.13 105.19 109.16 1i6e n GLY 43 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.15 -0.92 1.61 5.36 -1.15 -4.87 117.98 116.16 1i6e s PHE 44 Ca 0.00 0.10 -0.24 0.00 -0.96 0.00 0.00 56.93 55.83 1i6e s PHE 44 Cb 0.00 -0.37 0.05 0.00 -0.34 0.00 0.00 43.02 42.36 1i6e s PHE 44 CO 0.00 -0.13 1.37 0.54 -1.46 0.00 0.00 175.22 175.54 1i6e s ASN 45 N 1.32 6.39 0.51 6.13 4.22 -1.26 -4.91 114.94 127.34 1i6e s ASN 45 Ca -0.06 -1.15 -0.18 0.00 -2.14 0.00 0.00 52.86 49.33 1i6e s ASN 45 Cb -0.13 -2.56 -0.08 0.00 1.28 0.00 0.00 41.25 39.77 1i6e s ASN 45 CO -0.03 -1.59 1.02 -0.31 -2.04 0.00 0.00 177.10 174.15 1i6e s TYR 46 N 5.10 3.15 0.69 1.54 2.02 -1.26 -5.07 117.35 123.52 1i6e s TYR 46 Ca 0.41 1.54 -0.13 0.00 -0.37 0.00 0.00 57.07 58.52 1i6e s TYR 46 Cb -0.03 -2.96 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 1i6e s TYR 46 CO -0.02 -0.68 1.10 -1.54 -1.57 0.00 0.00 175.55 172.85 1i6e s SER 47 N -2.45 4.95 0.14 2.29 1.04 -1.26 -4.82 113.70 113.59 1i6e s SER 47 Ca 0.64 1.93 -0.19 0.00 0.48 0.00 0.00 55.95 58.81 1i6e s SER 47 Cb -0.14 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.46 1i6e s SER 47 CO 0.25 -1.74 1.70 -0.78 0.98 0.00 0.00 173.24 173.66 1i6e h ASP 48 N -0.34 -0.17 0.55 7.02 3.58 -1.98 -0.85 116.42 124.23 1i6e h ASP 48 Ca -0.46 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.03 1i6e h ASP 48 Cb 1.24 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.42 1i6e h ASP 48 CO 0.53 -0.05 -0.15 1.55 -2.88 0.00 0.00 179.24 178.24 1i6e h PRO 49 N 0.04 0.00 -0.23 0.28 0.13 -1.86 -0.52 132.00 129.84 1i6e h PRO 49 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1i6e h PRO 49 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1i6e h PRO 49 CO -0.24 0.15 0.01 1.98 -0.23 0.00 0.00 178.00 179.67 1i6e h MET 50 N 0.00 0.39 -0.50 0.86 1.85 -1.73 -1.54 114.93 114.26 1i6e h MET 50 Ca -0.00 -0.12 0.04 0.00 -0.61 0.00 0.00 59.70 59.01 1i6e h MET 50 Cb 0.47 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 1i6e h MET 50 CO 0.02 0.56 0.27 0.87 -0.40 0.00 0.00 176.91 178.23 1i6e h LYS 51 N 0.17 0.52 0.00 0.39 1.57 -1.04 -3.07 116.57 115.11 1i6e h LYS 51 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1i6e h LYS 51 Cb 0.38 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i6e h LYS 51 CO 0.01 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1i6e n ALA 52 N -2.31 1.75 -0.02 3.86 0.00 -0.22 -4.15 120.51 119.43 1i6e n ALA 52 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1i6e n ALA 52 Cb 0.11 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 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 0.17 0.00 0.00 6.17 -1.17 -3.49 115.15 116.83 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 0.38 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1i6e h HIS 53 CO 0.00 0.14 0.00 0.41 0.71 0.00 0.00 177.93 179.19 1i6e n GLY 54 N -1.03 -1.74 7.00 5.26 0.00 -1.26 -5.06 105.19 108.36 1i6e n GLY 54 Ca -0.05 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.66 0.04 3.23 -0.02 0.00 -1.26 -4.70 105.19 100.83 1i6e n GLY 55 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 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 1.96 -1.22 1.61 1.01 -1.26 -1.51 116.67 113.26 1i6e s ASP 56 Ca 0.00 -0.79 -0.19 0.00 0.71 0.00 0.00 52.55 52.28 1i6e s ASP 56 Cb 0.00 -0.07 -0.01 0.00 1.01 0.00 0.00 42.92 43.85 1i6e s ASP 56 CO 0.00 -0.14 1.91 0.79 0.21 0.00 0.00 175.17 177.95 1i6e n TRP 57 N 0.63 3.52 -1.52 4.23 7.02 0.57 -4.85 117.44 127.04 1i6e n TRP 57 Ca -0.16 -2.34 -0.31 0.00 -1.02 0.00 0.00 57.50 53.67 1i6e n TRP 57 Cb 0.57 -2.48 0.06 0.00 -2.42 0.00 0.00 31.31 27.03 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 6.01 3.85 0.29 -0.99 -4.23 -1.26 -0.80 115.64 118.51 1i6e s THR 58 Ca 0.57 0.62 0.01 0.00 -1.18 0.00 0.00 61.69 61.71 1i6e s THR 58 Cb 0.06 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.90 1i6e s THR 58 CO 0.07 -0.77 1.87 1.55 -0.54 0.00 0.00 174.62 176.80 1i6e h PRO 59 N -0.75 0.98 -0.55 3.99 0.13 -1.96 -0.61 132.00 133.23 1i6e h PRO 59 Ca -0.44 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1i6e h PRO 59 Cb 1.22 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1i6e h PRO 59 CO 0.55 0.65 0.10 1.49 -0.23 0.00 0.00 178.00 180.57 1i6e h GLU 60 N 1.01 0.89 -0.54 0.86 4.57 -1.99 -1.31 114.58 118.08 1i6e h GLU 60 Ca 0.44 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1i6e h GLU 60 Cb 0.36 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1i6e h GLU 60 CO -0.20 0.86 0.26 0.00 -1.18 0.00 0.00 179.01 178.75 1i6e h ALA 61 N 1.00 0.69 -0.14 2.92 0.00 -1.79 -2.50 119.26 119.43 1i6e h ALA 61 Ca 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1i6e h ALA 61 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i6e h ALA 61 CO 0.01 0.25 0.05 -0.07 0.00 0.00 0.00 179.25 179.49 1i6e h LEU 62 N 0.72 0.05 -0.98 0.00 3.38 -1.19 -2.04 115.31 115.25 1i6e h LEU 62 Ca 0.18 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1i6e h LEU 62 Cb 0.12 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1i6e h LEU 62 CO -0.02 0.05 0.62 1.56 0.09 0.00 0.00 178.44 180.74 1i6e h GLN 63 N 0.11 0.98 0.69 1.13 4.20 -1.24 0.12 115.11 121.11 1i6e h GLN 63 Ca 0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1i6e h GLN 63 Cb 0.04 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.60 1i6e h GLN 63 CO -0.06 0.65 -0.33 0.93 -0.67 0.00 0.00 178.83 179.35 1i6e h GLU 64 N 1.01 -0.89 -0.89 1.46 5.08 -1.45 -2.94 114.58 115.96 1i6e h GLU 64 Ca 0.47 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1i6e h GLU 64 Cb 0.41 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1i6e h GLU 64 CO -0.25 -0.56 0.57 0.35 -1.00 0.00 0.00 179.01 178.12 1i6e h PHE 65 N -1.03 1.14 0.00 4.33 3.57 -1.25 -2.20 116.94 121.50 1i6e h PHE 65 Ca -0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 1i6e h PHE 65 Cb 0.73 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1i6e h PHE 65 CO -0.01 0.74 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.39 1i6e h LEU 66 N 1.22 0.00 0.61 0.59 3.38 -0.88 -2.11 115.31 118.11 1i6e h LEU 66 Ca 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1i6e h LEU 66 Cb -0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1i6e h LEU 66 CO -0.07 0.35 -0.29 0.74 0.09 0.00 0.00 178.44 179.26 1i6e h THR 67 N 0.00 0.00 -3.27 0.22 2.02 -1.43 0.87 112.91 111.32 1i6e h THR 67 Ca -0.00 -0.40 -0.61 0.00 0.77 0.00 0.00 66.41 66.17 1i6e h THR 67 Cb 0.71 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.72 1i6e h THR 67 CO 0.05 0.00 -0.73 0.20 0.37 0.00 0.00 175.52 175.40 1i6e s ASN 68 N -4.59 4.16 -0.07 4.18 0.01 -0.84 -3.82 114.94 113.96 1i6e s ASN 68 Ca -0.12 -2.08 -0.24 0.00 -0.71 0.00 0.00 52.86 49.71 1i6e s ASN 68 Cb 0.01 -1.15 -0.20 0.00 0.41 0.00 0.00 41.25 40.33 1i6e s ASN 68 CO 0.36 -0.36 0.92 1.55 -1.51 0.00 0.00 177.10 178.05 1i6e h PRO 69 N 7.56 -0.07 0.00 -0.60 0.13 -1.64 -2.66 132.00 134.72 1i6e h PRO 69 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1i6e h PRO 69 Cb 0.99 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1i6e h PRO 69 CO 0.50 0.55 -0.06 0.87 -0.23 0.00 0.00 178.00 179.63 1i6e h LYS 70 N -0.80 0.00 -0.06 0.86 1.57 -1.84 -0.94 116.57 115.36 1i6e h LYS 70 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1i6e h LYS 70 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.97 1i6e h LYS 70 CO 0.01 0.06 -0.58 0.00 -0.57 0.00 0.00 179.45 178.37 1i6e h ALA 71 N 1.94 0.15 0.38 3.86 0.00 -1.98 -3.25 119.26 120.35 1i6e h ALA 71 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1i6e h ALA 71 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1i6e h ALA 71 CO 0.01 0.40 -0.18 0.28 0.00 0.00 0.00 179.25 179.76 1i6e h VAL 72 N 0.07 0.62 -3.32 0.00 2.07 -1.44 -3.38 116.25 110.87 1i6e h VAL 72 Ca -0.06 -0.37 -0.73 0.00 0.82 0.00 0.00 66.70 66.37 1i6e h VAL 72 Cb 1.25 0.80 -0.28 0.00 -1.52 0.00 0.00 31.29 31.55 1i6e h VAL 72 CO 0.12 0.07 -0.39 -0.69 0.02 0.00 0.00 177.57 176.69 1i6e s VAL 73 N -5.19 4.35 -0.69 2.57 1.01 -0.36 -5.06 120.40 117.03 1i6e s VAL 73 Ca -0.15 -1.62 -0.26 0.00 0.00 0.00 0.00 61.98 59.95 1i6e s VAL 73 Cb 0.03 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1i6e s VAL 73 CO 0.57 -0.70 1.72 -0.75 0.00 0.00 0.00 175.10 175.94 1i6e s LYS 74 N 1.41 2.79 0.00 2.72 2.20 -1.23 -2.45 119.74 125.18 1i6e s LYS 74 Ca 0.05 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1i6e s LYS 74 Cb -0.26 -4.46 0.00 0.00 -1.51 0.00 0.00 37.83 31.61 1i6e s LYS 74 CO 0.01 -2.65 0.00 0.41 -0.36 0.00 0.00 175.35 172.76 1i6e n GLY 75 N 5.80 1.51 3.74 5.54 0.00 -1.26 -4.78 105.19 115.74 1i6e n GLY 75 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 3.97 -2.00 2.61 -1.32 -1.03 -4.62 115.64 111.25 1i6e s THR 76 Ca 0.00 1.67 0.03 0.00 -1.21 0.00 0.00 61.69 62.18 1i6e s THR 76 Cb 0.00 -4.07 0.07 0.00 -1.51 0.00 0.00 72.50 67.00 1i6e s THR 76 CO 0.00 0.27 0.86 2.29 -2.21 0.00 0.00 174.62 175.83 1i6e n LYS 77 N 2.51 0.74 -2.23 7.08 2.85 -1.26 -4.75 118.16 123.11 1i6e n LYS 77 Ca 0.03 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.93 1i6e n LYS 77 Cb 0.47 -1.05 -0.04 0.00 -0.65 0.00 0.00 35.03 33.76 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 2.87 -1.45 -1.58 1.75 -1.26 -4.93 119.30 112.70 1i6e s MET 78 Ca 0.04 -0.06 -0.14 0.00 -1.25 0.00 0.00 55.69 54.28 1i6e s MET 78 Cb 0.02 -4.66 0.03 0.00 2.84 0.00 0.00 34.83 33.06 1i6e s MET 78 CO 0.03 -2.70 2.25 0.00 -0.65 0.00 0.00 175.02 173.94 1i6e n ALA 79 N 11.80 5.55 -2.93 4.11 0.00 -1.26 -4.70 120.51 133.08 1i6e n ALA 79 Ca 0.24 -3.85 -0.31 0.00 0.00 0.00 0.00 53.44 49.51 1i6e n ALA 79 Cb 0.50 -3.54 -0.17 0.00 0.00 0.00 0.00 19.45 16.25 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 3.22 2.45 0.02 0.00 5.36 -1.26 -5.09 117.98 122.68 1i6e s PHE 80 Ca 0.48 -0.84 -0.27 0.00 -0.96 0.00 0.00 56.93 55.35 1i6e s PHE 80 Cb 0.14 -1.62 -0.16 0.00 -0.34 0.00 0.00 43.02 41.04 1i6e s PHE 80 CO -0.08 -0.29 1.29 0.00 -1.46 0.00 0.00 175.22 174.67 1i6e h ALA 81 N 6.32 -0.63 0.00 11.12 0.00 -1.94 -3.43 119.26 130.70 1i6e h ALA 81 Ca -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i6e h ALA 81 Cb 1.20 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1i6e h ALA 81 CO 0.47 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1i6e n GLY 82 N -0.64 4.43 3.45 0.00 0.00 -1.26 -4.75 105.19 106.43 1i6e n GLY 82 Ca -0.11 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 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 4.99 0.09 0.99 1.43 0.30 -4.95 118.68 121.53 1i6e s LEU 83 Ca 0.00 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 1i6e s LEU 83 Cb 0.00 -2.43 -0.17 0.00 0.03 0.00 0.00 46.19 43.62 1i6e s LEU 83 CO 0.00 -0.79 1.28 1.55 0.23 0.00 0.00 176.35 178.62 1i6e h PRO 84 N 8.90 0.77 -6.56 1.29 0.13 -1.88 -3.31 132.00 131.35 1i6e h PRO 84 Ca -0.27 -0.67 -0.53 0.00 -0.87 0.00 0.00 66.00 63.66 1i6e h PRO 84 Cb 1.10 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1i6e h PRO 84 CO 0.91 1.27 0.49 0.15 -0.23 0.00 0.00 178.00 180.59 1i6e s LYS 85 N -3.66 4.54 0.20 0.86 1.02 -1.26 -4.99 119.74 116.44 1i6e s LYS 85 Ca -0.10 1.68 -0.12 0.00 0.02 0.00 0.00 55.97 57.45 1i6e s LYS 85 Cb 0.08 -3.33 0.24 0.00 -0.52 0.00 0.00 37.83 34.30 1i6e s LYS 85 CO 0.91 -0.05 1.69 0.97 -0.92 0.00 0.00 175.35 177.94 1i6e h ILE 86 N 4.16 0.60 -0.52 2.17 2.10 -2.00 -3.09 117.51 120.93 1i6e h ILE 86 Ca -0.43 -0.05 0.11 0.00 1.08 0.00 0.00 64.86 65.56 1i6e h ILE 86 Cb 1.21 0.42 -0.10 0.00 -1.09 0.00 0.00 36.82 37.27 1i6e h ILE 86 CO 0.76 0.03 -0.16 1.05 -1.08 0.00 0.00 178.15 178.74 1i6e h GLU 87 N 0.16 -0.04 -0.66 2.19 4.11 -1.94 0.70 114.58 119.10 1i6e h GLU 87 Ca 0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.66 1i6e h GLU 87 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1i6e h GLU 87 CO -0.43 -0.02 0.19 -0.44 0.07 0.00 0.00 179.01 178.38 1i6e h ASP 88 N -0.04 0.97 0.21 3.06 5.19 -1.86 0.91 116.42 124.86 1i6e h ASP 88 Ca 0.25 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1i6e h ASP 88 Cb 0.42 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1i6e h ASP 88 CO -0.56 0.93 -0.10 0.03 -3.12 0.00 0.00 179.24 176.42 1i6e h ARG 89 N 0.96 -0.27 -0.59 3.56 3.08 -1.45 -2.57 114.38 117.10 1i6e h ARG 89 Ca 0.21 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1i6e h ARG 89 Cb 0.31 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1i6e h ARG 89 CO -0.00 0.02 0.33 0.00 -1.07 0.00 0.00 179.97 179.25 1i6e h ALA 90 N 0.13 0.76 0.09 0.04 0.00 -0.86 0.46 119.26 119.88 1i6e h ALA 90 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i6e h ALA 90 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1i6e h ALA 90 CO 0.05 0.03 -0.10 -0.91 0.00 0.00 0.00 179.25 178.31 1i6e h ASN 91 N 0.64 -0.27 -0.42 0.00 2.35 -0.32 -0.80 115.58 116.77 1i6e h ASN 91 Ca 0.25 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 56.10 1i6e h ASN 91 Cb 0.10 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 1i6e h ASN 91 CO -0.14 -0.16 0.07 0.25 -1.65 0.00 0.00 177.43 175.80 1i6e h LEU 92 N -0.22 -0.03 -0.80 1.61 5.85 -1.41 -1.88 115.31 118.44 1i6e h LEU 92 Ca 0.01 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1i6e h LEU 92 Cb 0.22 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1i6e h LEU 92 CO -0.04 0.02 0.39 0.40 -0.34 0.00 0.00 178.44 178.87 1i6e h ILE 93 N 0.19 1.25 -0.67 4.05 2.04 -0.88 0.08 117.51 123.56 1i6e h ILE 93 Ca 0.20 -0.70 0.10 0.00 1.00 0.00 0.00 64.86 65.46 1i6e h ILE 93 Cb 0.26 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.50 1i6e h ILE 93 CO -0.28 0.30 0.30 0.00 0.00 0.00 0.00 178.15 178.47 1i6e h ALA 94 N 1.20 0.91 -0.20 1.87 0.00 -1.04 0.11 119.26 122.10 1i6e h ALA 94 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1i6e h ALA 94 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1i6e h ALA 94 CO -0.04 -0.12 0.13 -0.92 0.00 0.00 0.00 179.25 178.31 1i6e h TYR 95 N 0.52 0.26 -0.03 0.00 3.20 -1.05 -2.14 116.97 117.72 1i6e h TYR 95 Ca 0.34 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.16 1i6e h TYR 95 Cb 0.39 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1i6e h TYR 95 CO -0.13 0.17 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.25 1i6e h LEU 96 N 0.27 0.05 -0.64 2.82 3.38 -0.84 0.32 115.31 120.68 1i6e h LEU 96 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1i6e h LEU 96 Cb -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1i6e h LEU 96 CO -0.02 0.29 0.37 -0.33 0.09 0.00 0.00 178.44 178.84 1i6e h GLU 97 N 0.05 0.87 -0.66 1.13 5.08 -0.78 -3.23 114.58 117.04 1i6e h GLU 97 Ca 0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1i6e h GLU 97 Cb 0.45 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1i6e h GLU 97 CO 0.03 0.63 0.34 0.78 -1.00 0.00 0.00 179.01 179.80 1i6e h GLY 98 N 0.86 1.01 -6.39 -3.84 0.00 -1.06 -3.35 103.07 90.30 1i6e h GLY 98 Ca 0.23 -0.48 -0.71 0.00 0.00 0.00 0.00 47.33 46.37 1i6e h GLY 98 CO -0.04 0.46 2.91 -1.06 0.00 0.00 0.00 176.54 178.81 1i6e n GLN 99 N -4.49 2.94 0.00 4.80 1.13 0.07 -5.07 117.38 116.77 1i6e n GLN 99 Ca 0.05 -2.77 0.00 0.00 -1.94 0.00 0.00 57.00 52.34 1i6e n GLN 99 Cb 0.11 -3.32 0.00 0.00 0.11 0.00 0.00 30.24 27.14 1i6e n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66