#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 -1.25 -2.50 3.04 0.00 -1.26 -4.90 120.51 113.63 1i6e n ALA 2 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1i6e n ALA 2 Cb 0.00 -5.11 -0.10 0.00 0.00 0.00 0.00 19.45 14.24 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 -3.22 6.11 0.38 0.00 -1.08 -1.26 -4.84 116.67 112.76 1i6e s ASP 3 Ca 0.56 -0.59 0.17 0.00 -0.52 0.00 0.00 52.55 52.17 1i6e s ASP 3 Cb -0.25 -2.16 0.75 0.00 -1.46 0.00 0.00 42.92 39.79 1i6e s ASP 3 CO 0.69 -0.36 1.79 1.55 0.52 0.00 0.00 175.17 179.36 1i6e h PRO 4 N 8.56 0.00 -0.15 4.34 0.13 -1.87 -1.61 132.00 141.40 1i6e h PRO 4 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1i6e h PRO 4 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1i6e h PRO 4 CO 0.69 0.38 0.07 0.00 -0.23 0.00 0.00 178.00 178.91 1i6e h ALA 5 N 1.62 0.20 -0.68 -0.56 0.00 -1.95 -1.31 119.26 116.59 1i6e h ALA 5 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1i6e h ALA 5 Cb 0.77 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1i6e h ALA 5 CO 0.05 -0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.45 1i6e h ALA 6 N 0.92 1.39 -0.79 0.00 0.00 -1.93 -3.16 119.26 115.70 1i6e h ALA 6 Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1i6e h ALA 6 Cb 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1i6e h ALA 6 CO -0.01 0.50 0.52 0.78 0.00 0.00 0.00 179.25 181.05 1i6e h GLY 7 N 0.99 1.03 0.49 0.00 0.00 -1.15 -1.55 103.07 102.88 1i6e h GLY 7 Ca 0.24 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1i6e h GLY 7 CO -0.04 0.17 0.12 -2.09 0.00 0.00 0.00 176.54 174.70 1i6e h GLU 8 N 0.72 0.25 -0.60 4.80 4.22 -1.20 0.20 114.58 122.98 1i6e h GLU 8 Ca 0.36 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.80 1i6e h GLU 8 Cb 0.45 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1i6e h GLU 8 CO -0.14 0.17 0.39 0.87 -2.18 0.00 0.00 179.01 178.12 1i6e h LYS 9 N 0.26 0.78 -0.76 1.92 1.57 -1.46 -2.92 116.57 115.96 1i6e h LYS 9 Ca 0.22 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1i6e h LYS 9 Cb 0.26 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1i6e h LYS 9 CO -0.26 0.52 0.48 0.28 -0.57 0.00 0.00 179.45 179.90 1i6e h VAL 10 N 0.81 1.12 -0.28 0.50 2.07 -1.21 -2.93 116.25 116.32 1i6e h VAL 10 Ca 0.22 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1i6e h VAL 10 Cb -0.09 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1i6e h VAL 10 CO -0.05 0.17 0.29 0.15 0.02 0.00 0.00 177.57 178.16 1i6e h PHE 11 N 0.95 0.00 -1.16 1.57 3.04 -0.77 -2.73 116.94 117.83 1i6e h PHE 11 Ca 0.30 0.00 0.33 0.00 3.98 0.00 0.00 57.97 62.58 1i6e h PHE 11 Cb -0.00 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.42 1i6e h PHE 11 CO -0.03 0.00 0.77 0.78 -2.02 0.00 0.00 178.31 177.81 1i6e h GLY 12 N 0.00 0.90 0.82 2.40 0.00 -1.37 0.44 103.07 106.26 1i6e h GLY 12 Ca 0.13 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1i6e h GLY 12 CO -0.00 -0.16 0.53 0.50 0.00 0.00 0.00 176.54 177.41 1i6e h LYS 13 N 0.22 0.98 -0.01 4.80 1.57 -1.69 -3.27 116.57 119.17 1i6e h LYS 13 Ca 0.65 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 59.17 1i6e h LYS 13 Cb 1.99 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1i6e h LYS 13 CO -0.24 0.65 -0.86 0.00 -0.57 0.00 0.00 179.45 178.43 1i6e h LYS 15 N 0.17 0.36 -0.42 0.00 1.57 -1.18 -0.54 116.57 116.53 1i6e h LYS 15 Ca -0.05 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1i6e h LYS 15 Cb 1.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 1i6e h LYS 15 CO 0.14 0.24 0.32 0.00 -0.57 0.00 0.00 179.45 179.58 1i6e h ALA 16 N 1.68 2.35 0.00 3.86 0.00 -1.77 -3.35 119.26 122.04 1i6e h ALA 16 Ca 0.67 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 1i6e h ALA 16 Cb 1.64 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1i6e h ALA 16 CO -0.41 -0.54 -1.46 0.00 0.00 0.00 0.00 179.25 176.84 1i6e s HIS 18 N -2.16 2.80 0.18 0.00 3.76 -0.28 -1.83 115.29 117.75 1i6e s HIS 18 Ca -0.09 -0.09 0.08 0.00 -0.15 0.00 0.00 55.06 54.82 1i6e s HIS 18 Cb 0.03 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 1i6e s HIS 18 CO 0.21 0.28 -0.04 -1.59 -0.85 0.00 0.00 174.74 172.75 1i6e s LYS 19 N -0.98 2.25 -0.10 1.40 -2.85 -1.26 -4.07 119.74 114.13 1i6e s LYS 19 Ca 0.13 -1.19 0.14 0.00 -1.00 0.00 0.00 55.97 54.05 1i6e s LYS 19 Cb -0.11 -2.26 0.56 0.00 -2.06 0.00 0.00 37.83 33.96 1i6e s LYS 19 CO 0.03 0.44 1.43 1.28 0.10 0.00 0.00 175.35 178.63 1i6e n LEU 20 N -0.08 3.83 -2.82 2.77 4.77 -1.26 -1.45 117.00 122.76 1i6e n LEU 20 Ca -0.10 -1.93 -0.27 0.00 -0.03 0.00 0.00 56.01 53.67 1i6e n LEU 20 Cb 0.55 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1i6e n LEU 20 CO 0.37 0.63 0.18 0.47 -1.33 0.00 0.00 177.39 177.72 1i6e n ASP 21 N 0.78 4.61 0.00 -1.43 8.00 -1.26 -4.53 116.55 122.71 1i6e n ASP 21 Ca 0.20 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1i6e n ASP 21 Cb 0.73 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.31 0.87 3.84 0.44 0.00 -1.26 -4.95 105.19 103.82 1i6e n GLY 22 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 6.00 -0.11 1.61 0.01 -1.26 -4.70 114.94 116.49 1i6e s ASN 23 Ca 0.00 1.58 -0.07 0.00 -0.71 0.00 0.00 52.86 53.66 1i6e s ASN 23 Cb 0.00 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1i6e s ASN 23 CO 0.00 -1.02 0.14 -1.81 -1.51 0.00 0.00 177.10 172.91 1i6e s ASP 24 N -3.57 6.39 0.00 -1.22 1.11 -1.26 -3.85 116.67 114.27 1i6e s ASP 24 Ca 0.58 0.46 0.00 0.00 0.18 0.00 0.00 52.55 53.78 1i6e s ASP 24 Cb -0.12 -2.07 0.00 0.00 1.07 0.00 0.00 42.92 41.80 1i6e s ASP 24 CO 0.46 0.40 0.00 0.61 1.18 0.00 0.00 175.17 177.82 1i6e n GLY 25 N 1.90 1.06 0.07 0.21 0.00 -1.26 -4.99 105.19 102.18 1i6e n GLY 25 Ca -0.19 0.00 -0.14 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 -2.16 1.61 2.07 -1.74 -3.46 116.25 114.19 1i6e h VAL 26 Ca 0.00 -1.88 -0.44 0.00 0.82 0.00 0.00 66.70 65.20 1i6e h VAL 26 Cb 0.00 2.89 0.04 0.00 -1.52 0.00 0.00 31.29 32.70 1i6e h VAL 26 CO 0.00 0.49 -0.06 -0.83 0.02 0.00 0.00 177.57 177.19 1i6e s GLY 27 N -3.82 1.84 1.15 2.17 0.00 -0.76 -5.03 107.32 102.87 1i6e s GLY 27 Ca -0.17 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 42.89 1i6e s GLY 27 CO 0.69 -1.18 1.10 2.56 0.00 0.00 0.00 173.10 176.27 1i6e s PRO 28 N -4.72 -0.82 0.15 2.90 0.04 -1.26 -4.63 135.00 126.65 1i6e s PRO 28 Ca 0.58 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 1i6e s PRO 28 Cb -0.09 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.72 1i6e s PRO 28 CO 0.38 -3.48 1.55 -3.38 0.04 0.00 0.00 177.00 172.11 1i6e s HIS 29 N -2.97 3.03 -2.74 0.56 -3.43 -1.25 -4.27 115.29 104.23 1i6e s HIS 29 Ca 0.69 0.64 0.25 0.00 -0.80 0.00 0.00 55.06 55.85 1i6e s HIS 29 Cb -0.13 -3.90 0.47 0.00 -1.43 0.00 0.00 32.58 27.60 1i6e s HIS 29 CO 0.57 -3.31 1.41 1.28 -2.00 0.00 0.00 174.74 172.69 1i6e n LEU 30 N 4.11 2.40 -4.61 5.38 4.77 -0.53 -4.77 117.00 123.75 1i6e n LEU 30 Ca 0.14 -0.80 -0.43 0.00 -0.03 0.00 0.00 56.01 54.89 1i6e n LEU 30 Cb 0.39 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1i6e n LEU 30 CO 0.61 0.40 1.56 0.54 -1.33 0.00 0.00 177.39 179.18 1i6e s ASN 31 N -2.05 5.98 -0.06 -1.43 4.22 -1.26 -3.39 114.94 116.95 1i6e s ASN 31 Ca 0.30 1.63 -0.00 0.00 -2.14 0.00 0.00 52.86 52.66 1i6e s ASN 31 Cb 0.20 -2.52 -0.00 0.00 1.28 0.00 0.00 41.25 40.21 1i6e s ASN 31 CO 0.34 -1.58 0.05 0.61 -2.04 0.00 0.00 177.10 174.47 1i6e n GLY 32 N 5.22 0.46 0.11 0.45 0.00 -0.67 -4.89 105.19 105.87 1i6e n GLY 32 Ca 0.23 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.22 1.40 -2.21 1.61 3.14 -1.22 -4.57 118.33 115.26 1i6e n VAL 33 Ca -0.01 -0.66 -0.43 0.00 -2.96 0.00 0.00 64.34 60.27 1i6e n VAL 33 Cb 0.51 -1.02 -0.02 0.00 -1.06 0.00 0.00 33.84 32.24 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 3.73 0.00 1.55 1.01 -1.26 -1.14 120.40 121.80 1i6e s VAL 34 Ca -0.24 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1i6e s VAL 34 Cb 0.08 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1i6e s VAL 34 CO 0.67 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1i6e n GLY 35 N 5.22 2.70 3.77 4.51 0.00 -0.02 -5.00 105.19 116.38 1i6e n GLY 35 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.92 4.35 0.36 1.61 3.52 -0.29 -4.53 118.95 123.05 1i6e s ARG 36 Ca 0.00 1.73 -0.29 0.00 -0.13 0.00 0.00 55.73 57.04 1i6e s ARG 36 Cb 0.00 -2.87 -0.11 0.00 -1.56 0.00 0.00 34.95 30.41 1i6e s ARG 36 CO 0.00 -0.03 1.53 2.41 -0.81 0.00 0.00 175.30 178.40 1i6e n THR 37 N 0.53 1.73 -2.04 4.11 -1.04 -1.26 -0.28 114.28 116.03 1i6e n THR 37 Ca 0.02 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 1i6e n THR 37 Cb 0.47 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 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 -0.81 3.38 -1.16 12.58 1.01 -0.65 -2.09 120.40 132.67 1i6e s VAL 38 Ca 0.56 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 1i6e s VAL 38 Cb -0.48 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1i6e s VAL 38 CO 0.60 -0.02 0.99 0.00 0.00 0.00 0.00 175.10 176.67 1i6e n ALA 39 N 5.88 -1.55 0.78 5.51 0.00 -1.26 -4.61 120.51 125.26 1i6e n ALA 39 Ca 0.15 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.82 1i6e n ALA 39 Cb 0.42 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 -1.46 0.00 3.52 0.00 0.00 -0.89 -4.88 105.19 101.48 1i6e n GLY 40 Ca -0.14 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 4.19 -0.77 1.61 1.01 -1.26 -4.98 120.40 118.21 1i6e s VAL 41 Ca 0.15 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1i6e s VAL 41 Cb 0.14 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 1i6e s VAL 41 CO 0.43 -1.38 1.95 1.51 0.00 0.00 0.00 175.10 177.61 1i6e s ASP 42 N 3.26 5.11 0.00 3.32 1.47 -1.26 -2.26 116.67 126.31 1i6e s ASP 42 Ca 0.31 -0.18 0.00 0.00 1.18 0.00 0.00 52.55 53.86 1i6e s ASP 42 Cb -0.12 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 1i6e s ASP 42 CO 0.17 -2.66 0.00 0.61 0.68 0.00 0.00 175.17 173.97 1i6e n GLY 43 N 6.37 3.61 3.72 2.12 0.00 -1.26 -5.14 105.19 114.60 1i6e n GLY 43 Ca 0.33 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.17 1.61 5.36 -0.96 -5.00 117.98 121.41 1i6e s PHE 44 Ca 0.00 1.55 -0.19 0.00 -0.96 0.00 0.00 56.93 57.32 1i6e s PHE 44 Cb 0.00 -3.25 0.08 0.00 -0.34 0.00 0.00 43.02 39.50 1i6e s PHE 44 CO 0.00 -0.57 1.57 1.21 -1.46 0.00 0.00 175.22 175.97 1i6e s ASN 45 N 0.67 6.72 0.44 6.13 2.47 -1.26 -4.95 114.94 125.16 1i6e s ASN 45 Ca 0.53 -2.11 -0.23 0.00 0.42 0.00 0.00 52.86 51.47 1i6e s ASN 45 Cb -0.26 -2.55 -0.08 0.00 -1.45 0.00 0.00 41.25 36.91 1i6e s ASN 45 CO 0.30 -1.25 1.13 -0.31 -3.72 0.00 0.00 177.10 173.25 1i6e s TYR 46 N 4.18 3.00 0.73 0.43 2.02 -1.26 -5.05 117.35 121.41 1i6e s TYR 46 Ca 0.49 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.62 1i6e s TYR 46 Cb 0.01 -3.30 0.04 0.00 -0.40 0.00 0.00 41.96 38.31 1i6e s TYR 46 CO -0.00 -1.23 1.12 -1.54 -1.57 0.00 0.00 175.55 172.33 1i6e s SER 47 N -1.41 4.58 0.22 2.29 1.04 -1.26 -4.76 113.70 114.39 1i6e s SER 47 Ca 0.61 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.99 1i6e s SER 47 Cb -0.27 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.60 1i6e s SER 47 CO 0.33 -1.99 1.79 -0.78 0.98 0.00 0.00 173.24 173.57 1i6e h ASP 48 N -0.54 0.51 0.56 7.02 1.82 -1.97 -0.59 116.42 123.23 1i6e h ASP 48 Ca -0.46 0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.16 1i6e h ASP 48 Cb 1.25 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1i6e h ASP 48 CO 0.51 0.31 -0.35 1.55 -1.61 0.00 0.00 179.24 179.66 1i6e h PRO 49 N 0.65 0.00 -0.18 0.28 0.13 -1.86 -0.66 132.00 130.36 1i6e h PRO 49 Ca 0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1i6e h PRO 49 Cb 0.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1i6e h PRO 49 CO -0.23 0.35 0.07 1.98 -0.23 0.00 0.00 178.00 179.94 1i6e h MET 50 N 0.00 0.27 -0.46 0.86 1.85 -1.73 -1.89 114.93 113.84 1i6e h MET 50 Ca -0.00 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1i6e h MET 50 Cb 0.72 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.67 1i6e h MET 50 CO 0.05 0.35 0.24 0.87 -0.40 0.00 0.00 176.91 178.01 1i6e h LYS 51 N 0.13 0.46 0.00 0.39 1.57 -1.10 -3.15 116.57 114.87 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 0.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1i6e h LYS 51 CO -0.00 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1i6e n ALA 52 N -2.30 1.78 0.20 3.86 0.00 -0.26 -4.17 120.51 119.63 1i6e n ALA 52 Ca 0.03 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 1i6e n ALA 52 Cb 0.11 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1i6e n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6e h HIS 53 N 0.00 -0.43 -0.16 0.00 6.17 -1.29 -3.50 115.15 115.94 1i6e h HIS 53 Ca 0.00 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.09 1i6e h HIS 53 Cb 0.43 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.50 1i6e h HIS 53 CO 0.00 -0.21 -0.03 0.41 0.71 0.00 0.00 177.93 178.80 1i6e n GLY 54 N -1.06 -1.56 7.00 5.26 0.00 -1.26 -5.07 105.19 108.50 1i6e n GLY 54 Ca -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.71 -0.12 3.21 -0.02 0.00 -1.26 -4.62 105.19 100.67 1i6e n GLY 55 Ca -0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 1.64 -1.20 1.61 1.01 -1.26 -1.63 116.67 112.83 1i6e s ASP 56 Ca 0.00 -0.85 -0.18 0.00 0.71 0.00 0.00 52.55 52.22 1i6e s ASP 56 Cb 0.00 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.89 1i6e s ASP 56 CO 0.00 -0.25 1.98 0.79 0.21 0.00 0.00 175.17 177.90 1i6e n TRP 57 N 0.41 3.28 -1.49 4.23 7.02 0.62 -4.84 117.44 126.67 1i6e n TRP 57 Ca -0.15 -2.40 -0.31 0.00 -1.02 0.00 0.00 57.50 53.63 1i6e n TRP 57 Cb 0.58 -2.38 0.07 0.00 -2.42 0.00 0.00 31.31 27.16 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 5.23 3.59 0.39 -0.99 -4.23 -1.26 -0.84 115.64 117.53 1i6e s THR 58 Ca 0.55 0.52 0.09 0.00 -1.18 0.00 0.00 61.69 61.67 1i6e s THR 58 Cb 0.09 -3.20 0.31 0.00 1.34 0.00 0.00 72.50 71.04 1i6e s THR 58 CO 0.04 -0.67 1.96 1.55 -0.54 0.00 0.00 174.62 176.96 1i6e h PRO 59 N -0.93 0.59 -0.03 3.99 0.13 -1.98 -0.03 132.00 133.73 1i6e h PRO 59 Ca -0.45 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1i6e h PRO 59 Cb 1.23 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1i6e h PRO 59 CO 0.56 0.39 0.01 1.49 -0.23 0.00 0.00 178.00 180.22 1i6e h GLU 60 N 0.61 0.06 -0.57 0.86 4.81 -1.99 -1.40 114.58 116.96 1i6e h GLU 60 Ca 0.31 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1i6e h GLU 60 Cb 0.40 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1i6e h GLU 60 CO -0.10 0.28 0.35 0.00 -0.73 0.00 0.00 179.01 178.81 1i6e h ALA 61 N 0.77 0.74 -0.47 2.92 0.00 -1.79 -1.17 119.26 120.26 1i6e h ALA 61 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i6e h ALA 61 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1i6e h ALA 61 CO 0.00 0.08 0.29 -0.07 0.00 0.00 0.00 179.25 179.55 1i6e h LEU 62 N 0.69 0.56 -0.65 0.00 3.38 -1.12 -1.39 115.31 116.77 1i6e h LEU 62 Ca 0.23 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1i6e h LEU 62 Cb 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1i6e h LEU 62 CO -0.10 0.44 0.34 1.56 0.09 0.00 0.00 178.44 180.77 1i6e h GLN 63 N 0.63 0.59 0.74 1.13 4.20 -1.09 0.63 115.11 121.93 1i6e h GLN 63 Ca 0.17 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1i6e h GLN 63 Cb -0.02 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.63 1i6e h GLN 63 CO -0.03 0.39 -0.36 0.93 -0.67 0.00 0.00 178.83 179.09 1i6e h GLU 64 N 0.61 -0.96 -0.86 1.46 4.39 -1.20 -1.96 114.58 116.06 1i6e h GLU 64 Ca 0.31 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1i6e h GLU 64 Cb 0.25 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 1i6e h GLU 64 CO -0.22 -0.63 0.55 0.35 -1.16 0.00 0.00 179.01 177.91 1i6e h PHE 65 N -1.06 1.09 0.00 4.33 3.57 -1.24 -2.81 116.94 120.82 1i6e h PHE 65 Ca -0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1i6e h PHE 65 Cb 0.78 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1i6e h PHE 65 CO -0.01 0.70 0.00 -0.07 -2.23 0.00 0.00 178.31 176.70 1i6e h LEU 66 N 1.17 0.00 0.12 0.59 3.38 -0.98 -1.74 115.31 117.84 1i6e h LEU 66 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1i6e h LEU 66 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1i6e h LEU 66 CO -0.06 0.00 -0.06 0.74 0.09 0.00 0.00 178.44 179.15 1i6e h THR 67 N 0.00 0.98 -1.97 0.22 2.02 -1.11 0.20 112.91 113.26 1i6e h THR 67 Ca 0.00 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 1i6e h THR 67 Cb 0.70 1.22 -0.29 0.00 -1.74 0.00 0.00 68.15 68.04 1i6e h THR 67 CO 0.00 0.09 -0.45 0.21 0.37 0.00 0.00 175.52 175.74 1i6e s ASN 68 N -5.21 0.04 -0.04 4.18 3.84 -1.09 -3.56 114.94 113.10 1i6e s ASN 68 Ca -0.14 0.42 -0.24 0.00 0.21 0.00 0.00 52.86 53.11 1i6e s ASN 68 Cb 0.04 1.22 -0.23 0.00 -0.55 0.00 0.00 41.25 41.73 1i6e s ASN 68 CO 0.64 -0.28 1.05 1.55 -2.79 0.00 0.00 177.10 177.27 1i6e h PRO 69 N 8.17 0.22 0.00 0.43 0.13 -1.53 -2.96 132.00 136.46 1i6e h PRO 69 Ca -0.19 -0.22 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1i6e h PRO 69 Cb 1.15 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1i6e h PRO 69 CO 0.24 0.94 -0.28 0.87 -0.23 0.00 0.00 178.00 179.54 1i6e h LYS 70 N -0.42 0.00 -0.41 0.86 1.57 -1.84 -0.22 116.57 116.11 1i6e h LYS 70 Ca -0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1i6e h LYS 70 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1i6e h LYS 70 CO 0.06 0.28 -0.06 0.00 -0.57 0.00 0.00 179.45 179.16 1i6e h ALA 71 N 1.72 0.56 0.40 3.86 0.00 -1.98 -3.26 119.26 120.57 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 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1i6e h ALA 71 CO 0.04 0.39 -0.19 0.28 0.00 0.00 0.00 179.25 179.76 1i6e h VAL 72 N 0.58 0.37 -3.19 0.00 2.07 -1.38 -3.40 116.25 111.31 1i6e h VAL 72 Ca 0.11 -0.62 -0.75 0.00 0.82 0.00 0.00 66.70 66.26 1i6e h VAL 72 Cb 0.57 0.57 -0.25 0.00 -1.52 0.00 0.00 31.29 30.66 1i6e h VAL 72 CO 0.03 0.08 -0.28 -0.69 0.02 0.00 0.00 177.57 176.73 1i6e s VAL 73 N -4.08 5.03 -0.81 2.57 1.01 -0.11 -5.04 120.40 118.98 1i6e s VAL 73 Ca -0.12 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.17 1i6e s VAL 73 Cb 0.01 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1i6e s VAL 73 CO 0.42 -0.77 1.72 -0.75 0.00 0.00 0.00 175.10 175.72 1i6e s LYS 74 N 1.57 2.87 0.00 2.72 2.20 -1.23 -2.47 119.74 125.40 1i6e s LYS 74 Ca 0.04 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1i6e s LYS 74 Cb -0.28 -4.76 0.00 0.00 -1.51 0.00 0.00 37.83 31.28 1i6e s LYS 74 CO 0.03 -2.77 0.00 0.41 -0.36 0.00 0.00 175.35 172.67 1i6e n GLY 75 N 6.26 1.73 3.75 5.54 0.00 -1.26 -4.78 105.19 116.43 1i6e n GLY 75 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 3.82 -2.00 2.61 -1.32 -1.03 -4.63 115.64 111.09 1i6e s THR 76 Ca 0.00 1.67 0.05 0.00 -1.21 0.00 0.00 61.69 62.21 1i6e s THR 76 Cb 0.00 -4.07 0.16 0.00 -1.51 0.00 0.00 72.50 67.08 1i6e s THR 76 CO 0.00 0.34 0.96 2.29 -2.21 0.00 0.00 174.62 176.00 1i6e n LYS 77 N 1.91 0.72 -2.28 7.08 2.85 -1.26 -4.76 118.16 122.42 1i6e n LYS 77 Ca 0.01 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.89 1i6e n LYS 77 Cb 0.46 -1.12 -0.03 0.00 -0.65 0.00 0.00 35.03 33.69 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 2.93 -1.38 -1.58 1.75 -1.26 -4.94 119.30 112.81 1i6e s MET 78 Ca 0.08 -0.01 -0.15 0.00 -1.25 0.00 0.00 55.69 54.36 1i6e s MET 78 Cb 0.04 -4.51 0.03 0.00 2.84 0.00 0.00 34.83 33.22 1i6e s MET 78 CO 0.06 -2.55 2.12 0.00 -0.65 0.00 0.00 175.02 174.01 1i6e n ALA 79 N 11.27 5.01 -3.18 4.11 0.00 -1.26 -4.69 120.51 131.76 1i6e n ALA 79 Ca 0.18 -3.83 -0.23 0.00 0.00 0.00 0.00 53.44 49.57 1i6e n ALA 79 Cb 0.50 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.23 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 1.26 -0.01 0.00 5.36 -1.26 -5.10 117.98 121.84 1i6e s PHE 80 Ca 0.49 -0.38 -0.24 0.00 -0.96 0.00 0.00 56.93 55.85 1i6e s PHE 80 Cb 0.12 -0.90 -0.15 0.00 -0.34 0.00 0.00 43.02 41.75 1i6e s PHE 80 CO -0.04 -0.18 1.08 0.00 -1.46 0.00 0.00 175.22 174.62 1i6e h ALA 81 N 6.60 -0.49 0.00 11.12 0.00 -1.96 -3.40 119.26 131.12 1i6e h ALA 81 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1i6e h ALA 81 Cb 1.18 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1i6e h ALA 81 CO 0.48 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.57 1i6e n GLY 82 N -0.14 3.99 3.23 0.00 0.00 -1.26 -4.48 105.19 106.52 1i6e n GLY 82 Ca -0.09 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 5.84 0.26 0.99 1.43 0.70 -4.98 118.68 122.92 1i6e s LEU 83 Ca 0.00 -2.09 0.04 0.00 -1.03 0.00 0.00 54.13 51.06 1i6e s LEU 83 Cb 0.00 -2.04 0.33 0.00 0.03 0.00 0.00 46.19 44.51 1i6e s LEU 83 CO 0.00 -0.67 1.63 1.55 0.23 0.00 0.00 176.35 179.09 1i6e h PRO 84 N 8.29 0.30 -6.51 1.29 0.13 -1.86 -3.38 132.00 130.26 1i6e h PRO 84 Ca -0.17 -0.17 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 1i6e h PRO 84 Cb 1.06 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i6e h PRO 84 CO 0.86 0.72 0.50 0.15 -0.23 0.00 0.00 178.00 180.00 1i6e s LYS 85 N -4.02 4.49 0.21 0.86 -0.14 -1.26 -5.00 119.74 114.89 1i6e s LYS 85 Ca -0.05 1.69 -0.09 0.00 -1.36 0.00 0.00 55.97 56.16 1i6e s LYS 85 Cb 0.13 -3.35 0.25 0.00 -1.68 0.00 0.00 37.83 33.18 1i6e s LYS 85 CO 0.79 -0.14 1.81 0.97 -0.76 0.00 0.00 175.35 178.02 1i6e h ILE 86 N 4.38 0.96 -0.53 2.17 2.10 -2.00 -3.11 117.51 121.48 1i6e h ILE 86 Ca -0.42 -0.24 0.10 0.00 1.08 0.00 0.00 64.86 65.37 1i6e h ILE 86 Cb 1.21 0.21 -0.08 0.00 -1.09 0.00 0.00 36.82 37.07 1i6e h ILE 86 CO 0.78 0.13 0.09 1.05 -1.08 0.00 0.00 178.15 179.12 1i6e h GLU 87 N 0.70 0.22 -0.39 2.19 4.11 -1.98 0.13 114.58 119.55 1i6e h GLU 87 Ca 0.31 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.76 1i6e h GLU 87 Cb 0.20 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1i6e h GLU 87 CO -0.19 0.15 0.16 -0.44 0.07 0.00 0.00 179.01 178.76 1i6e h ASP 88 N 0.23 0.21 0.12 3.06 5.19 -1.97 0.13 116.42 123.38 1i6e h ASP 88 Ca 0.27 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1i6e h ASP 88 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1i6e h ASP 88 CO -0.36 0.16 -0.06 0.03 -3.12 0.00 0.00 179.24 175.89 1i6e h ARG 89 N 0.34 -0.15 -0.55 3.56 3.08 -1.43 -2.35 114.38 116.88 1i6e h ARG 89 Ca 0.17 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1i6e h ARG 89 Cb 0.12 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1i6e h ARG 89 CO -0.15 0.11 0.29 0.00 -1.07 0.00 0.00 179.97 179.14 1i6e h ALA 90 N 0.44 0.71 -0.11 0.04 0.00 -0.77 -0.00 119.26 119.56 1i6e h ALA 90 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1i6e h ALA 90 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1i6e h ALA 90 CO 0.03 -0.05 -0.08 -0.91 0.00 0.00 0.00 179.25 178.24 1i6e h ASN 91 N 0.55 -0.25 -0.45 0.00 2.35 -1.06 -1.04 115.58 115.69 1i6e h ASN 91 Ca 0.24 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 56.09 1i6e h ASN 91 Cb 0.14 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1i6e h ASN 91 CO -0.16 -0.11 0.21 0.25 -1.65 0.00 0.00 177.43 175.98 1i6e h LEU 92 N -0.08 0.30 -0.75 1.61 5.85 -1.34 -1.68 115.31 119.22 1i6e h LEU 92 Ca 0.07 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1i6e h LEU 92 Cb 0.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1i6e h LEU 92 CO -0.17 0.21 0.19 0.40 -0.34 0.00 0.00 178.44 178.73 1i6e h ILE 93 N 0.43 1.26 -0.62 4.05 2.04 -0.96 -0.12 117.51 123.59 1i6e h ILE 93 Ca 0.20 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.18 1i6e h ILE 93 Cb 0.12 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1i6e h ILE 93 CO -0.15 0.37 0.28 0.00 0.00 0.00 0.00 178.15 178.65 1i6e h ALA 94 N 1.11 0.81 -0.09 1.87 0.00 -1.15 0.17 119.26 121.99 1i6e h ALA 94 Ca 0.23 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1i6e h ALA 94 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1i6e h ALA 94 CO -0.00 -0.10 -0.06 -0.92 0.00 0.00 0.00 179.25 178.17 1i6e h TYR 95 N 0.51 -0.13 0.00 0.00 3.20 -1.08 -2.34 116.97 117.12 1i6e h TYR 95 Ca 0.30 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 1i6e h TYR 95 Cb 0.29 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1i6e h TYR 95 CO -0.13 -0.09 -0.26 -0.07 -1.64 0.00 0.00 178.16 175.97 1i6e h LEU 96 N -0.06 0.00 -0.79 2.82 3.38 -0.95 0.19 115.31 119.90 1i6e h LEU 96 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1i6e h LEU 96 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1i6e h LEU 96 CO -0.12 0.26 0.38 -0.33 0.09 0.00 0.00 178.44 178.72 1i6e h GLU 97 N 0.00 1.14 -0.21 1.13 4.39 -0.96 -3.26 114.58 116.82 1i6e h GLU 97 Ca -0.00 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1i6e h GLU 97 Cb 0.59 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1i6e h GLU 97 CO 0.03 0.88 0.11 0.78 -1.16 0.00 0.00 179.01 179.66 1i6e h GLY 98 N 1.12 0.31 -7.53 -3.84 0.00 -1.00 -3.37 103.07 88.76 1i6e h GLY 98 Ca 0.27 -0.14 -0.71 0.00 0.00 0.00 0.00 47.33 46.75 1i6e h GLY 98 CO -0.03 0.13 1.97 -1.06 0.00 0.00 0.00 176.54 177.55 1i6e n GLN 99 N -4.89 3.26 0.00 4.80 3.00 0.02 -5.07 117.38 118.49 1i6e n GLN 99 Ca -0.03 -3.45 0.04 0.00 -0.01 0.00 0.00 57.00 53.55 1i6e n GLN 99 Cb 0.07 -3.27 0.03 0.00 0.00 0.00 0.00 30.24 27.07 1i6e n GLN 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10