#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 -0.76 -2.50 3.04 0.00 -1.25 -4.86 120.51 114.18 1i6e n ALA 2 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1i6e n ALA 2 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 19.45 16.23 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 -2.67 6.07 0.30 0.00 -1.08 -1.26 -4.86 116.67 113.18 1i6e s ASP 3 Ca 0.21 -0.78 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 1i6e s ASP 3 Cb -0.09 -2.15 0.48 0.00 -1.46 0.00 0.00 42.92 39.70 1i6e s ASP 3 CO 0.26 -0.39 1.71 1.55 0.52 0.00 0.00 175.17 178.82 1i6e h PRO 4 N 8.58 0.19 -0.45 4.34 0.13 -1.85 -1.89 132.00 141.05 1i6e h PRO 4 Ca -0.28 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1i6e h PRO 4 Cb 1.13 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1i6e h PRO 4 CO 0.70 0.58 0.15 0.00 -0.23 0.00 0.00 178.00 179.20 1i6e h ALA 5 N 1.41 1.43 -0.33 -0.56 0.00 -1.95 -2.50 119.26 116.76 1i6e h ALA 5 Ca 0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1i6e h ALA 5 Cb 0.82 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1i6e h ALA 5 CO 0.06 0.43 -0.45 0.00 0.00 0.00 0.00 179.25 179.29 1i6e h ALA 6 N 1.53 0.58 -0.67 0.00 0.00 -1.92 -3.38 119.26 115.41 1i6e h ALA 6 Ca 0.15 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.70 1i6e h ALA 6 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1i6e h ALA 6 CO -0.01 0.68 0.45 0.78 0.00 0.00 0.00 179.25 181.14 1i6e h GLY 7 N 0.80 0.62 1.38 0.00 0.00 -1.04 -2.72 103.07 102.12 1i6e h GLY 7 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1i6e h GLY 7 CO 0.10 0.09 0.32 1.05 0.00 0.00 0.00 176.54 178.10 1i6e h GLU 8 N 0.41 0.82 -0.39 4.80 4.11 -1.63 0.05 114.58 122.76 1i6e h GLU 8 Ca 0.32 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.64 1i6e h GLU 8 Cb 0.67 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1i6e h GLU 8 CO -0.09 0.61 0.17 0.87 0.07 0.00 0.00 179.01 180.64 1i6e h LYS 9 N 0.83 0.57 -0.79 1.06 6.56 -1.69 -3.09 116.57 120.02 1i6e h LYS 9 Ca 0.21 -0.09 0.06 0.00 -1.06 0.00 0.00 60.65 59.77 1i6e h LYS 9 Cb 0.03 -0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 31.53 1i6e h LYS 9 CO -0.03 0.52 0.47 0.28 -2.06 0.00 0.00 179.45 178.63 1i6e h VAL 10 N 0.48 1.01 -0.20 0.50 2.07 -1.35 -2.76 116.25 116.00 1i6e h VAL 10 Ca 0.13 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1i6e h VAL 10 Cb 0.15 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1i6e h VAL 10 CO -0.01 0.16 0.24 0.15 0.02 0.00 0.00 177.57 178.12 1i6e h PHE 11 N 0.86 0.00 -1.13 1.57 3.57 -0.93 -2.86 116.94 118.02 1i6e h PHE 11 Ca 0.35 0.00 0.32 0.00 3.53 0.00 0.00 57.97 62.17 1i6e h PHE 11 Cb 0.19 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.84 1i6e h PHE 11 CO -0.05 0.00 0.74 0.78 -2.23 0.00 0.00 178.31 177.55 1i6e h GLY 12 N 0.00 1.04 1.03 2.40 0.00 -1.41 0.53 103.07 106.65 1i6e h GLY 12 Ca 0.09 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1i6e h GLY 12 CO -0.00 -0.17 0.56 0.50 0.00 0.00 0.00 176.54 177.42 1i6e h LYS 13 N 0.26 1.01 0.04 4.80 1.57 -1.70 -3.25 116.57 119.30 1i6e h LYS 13 Ca 0.64 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 59.13 1i6e h LYS 13 Cb 1.87 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 1i6e h LYS 13 CO -0.28 0.67 -1.03 0.00 -0.57 0.00 0.00 179.45 178.25 1i6e h LYS 15 N 0.15 0.39 -0.54 0.00 1.57 -1.18 -0.26 116.57 116.70 1i6e h LYS 15 Ca -0.09 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1i6e h LYS 15 Cb 1.69 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 1i6e h LYS 15 CO 0.17 0.26 0.37 0.00 -0.57 0.00 0.00 179.45 179.68 1i6e h ALA 16 N 1.80 2.13 0.00 3.86 0.00 -1.79 -3.33 119.26 121.93 1i6e h ALA 16 Ca 0.69 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.29 1i6e h ALA 16 Cb 1.46 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1i6e h ALA 16 CO -0.56 -0.26 -2.10 0.00 0.00 0.00 0.00 179.25 176.32 1i6e s HIS 18 N -2.39 2.55 0.08 0.00 3.76 -0.18 -1.67 115.29 117.45 1i6e s HIS 18 Ca -0.23 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1i6e s HIS 18 Cb 0.06 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 1i6e s HIS 18 CO 0.49 0.19 -0.17 0.15 -0.85 0.00 0.00 174.74 174.54 1i6e s LYS 19 N -1.12 1.94 -0.12 1.40 1.02 -1.26 -4.14 119.74 117.47 1i6e s LYS 19 Ca 0.13 -1.08 0.17 0.00 0.02 0.00 0.00 55.97 55.21 1i6e s LYS 19 Cb -0.10 -2.17 0.68 0.00 -0.52 0.00 0.00 37.83 35.72 1i6e s LYS 19 CO 0.03 0.51 1.59 1.28 -0.92 0.00 0.00 175.35 177.84 1i6e n LEU 20 N 1.10 4.61 -3.19 3.17 4.77 -1.26 -1.32 117.00 124.88 1i6e n LEU 20 Ca -0.16 -2.49 -0.24 0.00 -0.03 0.00 0.00 56.01 53.09 1i6e n LEU 20 Cb 0.52 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1i6e n LEU 20 CO 0.28 0.79 -0.06 0.47 -1.33 0.00 0.00 177.39 177.54 1i6e n ASP 21 N 0.91 2.50 0.00 -1.43 9.92 -1.26 -4.60 116.55 122.60 1i6e n ASP 21 Ca 0.25 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 1i6e n ASP 21 Cb 0.87 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 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 0.57 0.89 3.79 0.44 0.00 -1.26 -4.97 105.19 104.66 1i6e n GLY 22 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 6.26 -0.16 1.61 0.01 -1.26 -4.69 114.94 116.71 1i6e s ASN 23 Ca 0.00 1.99 -0.07 0.00 -0.71 0.00 0.00 52.86 54.08 1i6e s ASN 23 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1i6e s ASN 23 CO 0.00 -0.84 0.06 -1.81 -1.51 0.00 0.00 177.10 173.00 1i6e s ASP 24 N -1.89 5.67 0.00 -1.22 1.11 -1.26 -3.82 116.67 115.25 1i6e s ASP 24 Ca 0.67 0.14 0.00 0.00 0.18 0.00 0.00 52.55 53.55 1i6e s ASP 24 Cb -0.18 -1.90 0.00 0.00 1.07 0.00 0.00 42.92 41.90 1i6e s ASP 24 CO 0.22 0.24 0.00 0.61 1.18 0.00 0.00 175.17 177.42 1i6e n GLY 25 N 3.12 0.57 0.09 0.21 0.00 -1.25 -4.99 105.19 102.93 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 1.65 -1.76 1.61 2.07 -1.61 -3.47 116.25 114.74 1i6e h VAL 26 Ca 0.00 -2.22 -0.43 0.00 0.82 0.00 0.00 66.70 64.87 1i6e h VAL 26 Cb 0.00 3.12 0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1i6e h VAL 26 CO 0.00 0.60 -0.18 -0.83 0.02 0.00 0.00 177.57 177.18 1i6e s GLY 27 N -4.13 1.90 1.10 2.17 0.00 -0.67 -5.03 107.32 102.66 1i6e s GLY 27 Ca -0.17 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.80 1i6e s GLY 27 CO 0.73 -1.35 1.13 2.56 0.00 0.00 0.00 173.10 176.17 1i6e s PRO 28 N -4.51 -0.39 0.04 2.90 0.04 -1.26 -4.56 135.00 127.26 1i6e s PRO 28 Ca 0.56 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1i6e s PRO 28 Cb -0.10 -1.68 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1i6e s PRO 28 CO 0.35 -3.18 1.57 -3.38 0.04 0.00 0.00 177.00 172.40 1i6e s HIS 29 N -3.13 2.55 -2.49 0.56 -3.43 -1.25 -4.08 115.29 104.02 1i6e s HIS 29 Ca 0.69 0.48 0.27 0.00 -0.80 0.00 0.00 55.06 55.70 1i6e s HIS 29 Cb -0.12 -3.86 0.80 0.00 -1.43 0.00 0.00 32.58 27.97 1i6e s HIS 29 CO 0.56 -3.39 1.60 1.28 -2.00 0.00 0.00 174.74 172.79 1i6e n LEU 30 N 5.56 1.77 -4.59 5.38 4.77 -0.43 -4.78 117.00 124.67 1i6e n LEU 30 Ca 0.15 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 55.13 1i6e n LEU 30 Cb 0.42 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1i6e n LEU 30 CO 0.61 0.30 1.63 0.54 -1.33 0.00 0.00 177.39 179.14 1i6e s ASN 31 N -2.08 5.65 0.00 -1.43 4.22 -1.26 -3.22 114.94 116.83 1i6e s ASN 31 Ca 0.34 1.29 0.00 0.00 -2.14 0.00 0.00 52.86 52.35 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 0.36 -1.90 0.00 0.61 -2.04 0.00 0.00 177.10 174.13 1i6e n GLY 32 N 5.55 0.65 0.12 0.45 0.00 -0.62 -4.89 105.19 106.45 1i6e n GLY 32 Ca 0.25 -0.42 -0.16 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 -1.19 1.56 -2.32 1.61 3.14 -1.20 -4.53 118.33 115.40 1i6e n VAL 33 Ca 0.00 -0.69 -0.43 0.00 -2.96 0.00 0.00 64.34 60.26 1i6e n VAL 33 Cb 0.38 -1.22 -0.02 0.00 -1.06 0.00 0.00 33.84 31.92 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 -2.53 3.84 0.00 1.55 1.01 -1.26 -1.25 120.40 121.76 1i6e s VAL 34 Ca -0.21 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1i6e s VAL 34 Cb 0.08 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1i6e s VAL 34 CO 0.73 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1i6e n GLY 35 N 5.15 2.81 3.77 4.51 0.00 -0.06 -5.00 105.19 116.37 1i6e n GLY 35 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 3.64 0.33 1.61 3.52 -0.38 -4.44 118.95 123.11 1i6e s ARG 36 Ca 0.00 1.86 -0.27 0.00 -0.13 0.00 0.00 55.73 57.18 1i6e s ARG 36 Cb 0.00 -2.38 -0.13 0.00 -1.56 0.00 0.00 34.95 30.89 1i6e s ARG 36 CO 0.00 -0.67 1.14 2.41 -0.81 0.00 0.00 175.30 177.37 1i6e n THR 37 N -0.59 2.08 -2.02 4.11 -1.04 -1.26 -0.28 114.28 115.28 1i6e n THR 37 Ca 0.08 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.17 1i6e n THR 37 Cb 0.47 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.66 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 -1.11 3.55 -0.94 12.58 1.01 -0.53 -2.14 120.40 132.82 1i6e s VAL 38 Ca 0.58 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 1i6e s VAL 38 Cb -0.62 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1i6e s VAL 38 CO 0.61 -0.05 0.79 0.00 0.00 0.00 0.00 175.10 176.44 1i6e n ALA 39 N 6.87 -1.72 -0.05 5.51 0.00 -1.26 -4.53 120.51 125.34 1i6e n ALA 39 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1i6e n ALA 39 Cb 0.43 -2.58 -0.14 0.00 0.00 0.00 0.00 19.45 17.16 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 -1.04 3.55 0.00 0.00 -0.91 -4.82 105.19 100.83 1i6e n GLY 40 Ca -0.20 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.74 3.61 -0.52 1.61 1.01 -1.26 -4.96 120.40 117.15 1i6e s VAL 41 Ca -0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 1i6e s VAL 41 Cb 0.08 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1i6e s VAL 41 CO 0.84 -1.42 1.35 -1.81 0.00 0.00 0.00 175.10 174.06 1i6e s ASP 42 N 6.18 6.28 0.00 3.32 1.11 -1.26 -1.78 116.67 130.52 1i6e s ASP 42 Ca 0.54 0.40 0.00 0.00 0.18 0.00 0.00 52.55 53.68 1i6e s ASP 42 Cb -0.07 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1i6e s ASP 42 CO 0.07 -1.56 0.00 0.61 1.18 0.00 0.00 175.17 175.46 1i6e n GLY 43 N 5.15 3.80 3.71 0.21 0.00 -1.26 -5.13 105.19 111.67 1i6e n GLY 43 Ca 0.13 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 3.56 -1.28 1.61 5.36 -0.74 -5.00 117.98 121.49 1i6e s PHE 44 Ca 0.00 1.51 -0.19 0.00 -0.96 0.00 0.00 56.93 57.30 1i6e s PHE 44 Cb 0.00 -3.27 0.06 0.00 -0.34 0.00 0.00 43.02 39.47 1i6e s PHE 44 CO 0.00 -0.63 1.73 0.54 -1.46 0.00 0.00 175.22 175.40 1i6e s ASN 45 N 0.91 6.73 0.59 6.13 4.22 -1.26 -4.95 114.94 127.31 1i6e s ASN 45 Ca 0.55 -2.36 -0.18 0.00 -2.14 0.00 0.00 52.86 48.73 1i6e s ASN 45 Cb -0.26 -2.58 -0.04 0.00 1.28 0.00 0.00 41.25 39.66 1i6e s ASN 45 CO 0.29 -1.28 1.16 -0.31 -2.04 0.00 0.00 177.10 174.92 1i6e s TYR 46 N 4.60 2.53 0.63 1.54 2.02 -1.26 -5.04 117.35 122.37 1i6e s TYR 46 Ca 0.54 1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 58.62 1i6e s TYR 46 Cb 0.04 -3.35 -0.01 0.00 -0.40 0.00 0.00 41.96 38.23 1i6e s TYR 46 CO 0.07 -1.88 1.13 -1.54 -1.57 0.00 0.00 175.55 171.76 1i6e s SER 47 N -1.83 5.19 0.17 2.29 1.04 -1.26 -4.83 113.70 114.46 1i6e s SER 47 Ca 0.74 2.09 -0.15 0.00 0.48 0.00 0.00 55.95 59.11 1i6e s SER 47 Cb -0.26 -2.56 0.13 0.00 0.10 0.00 0.00 66.02 63.43 1i6e s SER 47 CO 0.32 -1.58 1.71 -0.78 0.98 0.00 0.00 173.24 173.89 1i6e h ASP 48 N 0.33 -0.10 0.56 7.02 3.58 -1.97 -1.87 116.42 123.97 1i6e h ASP 48 Ca -0.48 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 1i6e h ASP 48 Cb 1.26 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.45 1i6e h ASP 48 CO 0.54 -0.02 -0.12 1.55 -2.88 0.00 0.00 179.24 178.32 1i6e h PRO 49 N 0.15 0.00 -0.16 0.28 0.13 -1.86 0.17 132.00 130.70 1i6e h PRO 49 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 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 -0.32 0.12 -0.02 1.98 -0.23 0.00 0.00 178.00 179.53 1i6e h MET 50 N 0.00 0.31 -0.52 0.86 1.85 -1.73 -2.13 114.93 113.56 1i6e h MET 50 Ca -0.00 -0.11 0.04 0.00 -0.61 0.00 0.00 59.70 59.02 1i6e h MET 50 Cb 0.43 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.40 1i6e h MET 50 CO 0.02 0.56 0.28 0.87 -0.40 0.00 0.00 176.91 178.23 1i6e h LYS 51 N 0.03 0.53 0.00 0.39 1.57 -1.17 -3.12 116.57 114.79 1i6e h LYS 51 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i6e h LYS 51 Cb 0.43 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1i6e h LYS 51 CO 0.01 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.24 1i6e h ALA 52 N 1.27 1.00 0.42 3.86 0.00 -1.06 -3.36 119.26 121.39 1i6e h ALA 52 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1i6e h ALA 52 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1i6e h ALA 52 CO -0.14 0.00 -0.20 1.25 0.00 0.00 0.00 179.25 180.16 1i6e h HIS 53 N 0.00 -0.53 -0.12 0.00 6.17 -1.31 -3.50 115.15 115.87 1i6e h HIS 53 Ca 0.00 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.08 1i6e h HIS 53 Cb 0.50 0.17 -0.00 0.00 2.52 0.00 0.00 27.41 30.60 1i6e h HIS 53 CO 0.00 -0.28 -0.02 0.41 0.71 0.00 0.00 177.93 178.75 1i6e n GLY 54 N -1.10 -1.47 7.00 5.26 0.00 -1.26 -5.07 105.19 108.56 1i6e n GLY 54 Ca -0.11 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.49 -0.01 3.18 -0.02 0.00 -1.26 -4.57 105.19 101.01 1i6e n GLY 55 Ca -0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 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 1.52 -1.22 1.61 1.11 -1.26 -1.45 116.67 112.97 1i6e s ASP 56 Ca 0.00 -0.76 -0.19 0.00 0.18 0.00 0.00 52.55 51.78 1i6e s ASP 56 Cb 0.00 -0.01 -0.01 0.00 1.07 0.00 0.00 42.92 43.97 1i6e s ASP 56 CO 0.00 -0.21 1.92 0.79 1.18 0.00 0.00 175.17 178.85 1i6e n TRP 57 N 0.73 3.51 -1.52 4.23 7.02 0.62 -4.80 117.44 127.23 1i6e n TRP 57 Ca -0.17 -2.36 -0.31 0.00 -1.02 0.00 0.00 57.50 53.64 1i6e n TRP 57 Cb 0.57 -2.48 0.06 0.00 -2.42 0.00 0.00 31.31 27.04 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 5.89 3.76 0.40 -0.99 -4.23 -1.26 -0.88 115.64 118.33 1i6e s THR 58 Ca 0.57 0.60 0.10 0.00 -1.18 0.00 0.00 61.69 61.78 1i6e s THR 58 Cb 0.06 -3.24 0.31 0.00 1.34 0.00 0.00 72.50 70.97 1i6e s THR 58 CO 0.07 -0.72 1.98 1.55 -0.54 0.00 0.00 174.62 176.95 1i6e h PRO 59 N -0.71 0.55 0.01 3.99 0.13 -1.98 0.03 132.00 134.02 1i6e h PRO 59 Ca -0.44 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1i6e h PRO 59 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i6e h PRO 59 CO 0.55 0.36 -0.00 1.49 -0.23 0.00 0.00 178.00 180.17 1i6e h GLU 60 N 0.57 -0.01 -0.49 0.86 4.81 -1.99 -2.07 114.58 116.25 1i6e h GLU 60 Ca 0.28 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1i6e h GLU 60 Cb 0.38 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1i6e h GLU 60 CO -0.09 0.17 0.32 0.00 -0.73 0.00 0.00 179.01 178.68 1i6e h ALA 61 N 0.80 0.62 -0.14 2.92 0.00 -1.80 -2.33 119.26 119.32 1i6e h ALA 61 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1i6e h ALA 61 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1i6e h ALA 61 CO 0.00 0.05 -0.02 -0.07 0.00 0.00 0.00 179.25 179.21 1i6e h LEU 62 N 0.65 -0.11 -1.25 0.00 3.38 -1.10 -1.58 115.31 115.29 1i6e h LEU 62 Ca 0.18 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1i6e h LEU 62 Cb -0.05 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1i6e h LEU 62 CO -0.05 -0.03 -0.05 0.06 0.09 0.00 0.00 178.44 178.45 1i6e h GLN 63 N 0.02 0.45 0.46 1.13 -0.00 -1.34 0.12 115.11 115.94 1i6e h GLN 63 Ca 0.07 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1i6e h GLN 63 Cb 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1i6e h GLN 63 CO -0.14 0.52 -0.22 0.93 -0.00 0.00 0.00 178.83 179.92 1i6e h GLU 64 N 0.43 -0.60 -0.85 0.06 4.39 -1.44 -1.93 114.58 114.65 1i6e h GLU 64 Ca 0.09 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.85 1i6e h GLU 64 Cb 0.36 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1i6e h GLU 64 CO 0.02 -0.33 0.56 0.35 -1.16 0.00 0.00 179.01 178.44 1i6e h PHE 65 N -0.76 1.05 0.00 4.33 3.57 -1.17 -1.91 116.94 122.06 1i6e h PHE 65 Ca -0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1i6e h PHE 65 Cb 0.54 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1i6e h PHE 65 CO -0.01 0.64 0.00 -0.07 -2.23 0.00 0.00 178.31 176.64 1i6e h LEU 66 N 1.12 0.00 0.48 0.59 3.38 -0.89 -2.08 115.31 117.91 1i6e h LEU 66 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1i6e h LEU 66 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1i6e h LEU 66 CO -0.08 0.00 -0.23 0.74 0.09 0.00 0.00 178.44 178.95 1i6e h THR 67 N 0.00 0.00 -3.04 0.22 2.02 -1.01 0.14 112.91 111.24 1i6e h THR 67 Ca 0.00 -0.19 -0.56 0.00 0.77 0.00 0.00 66.41 66.42 1i6e h THR 67 Cb 0.59 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.60 1i6e h THR 67 CO 0.00 0.00 -0.76 0.20 0.37 0.00 0.00 175.52 175.33 1i6e s ASN 68 N -3.73 3.83 -0.03 4.18 0.01 -0.75 -3.84 114.94 114.61 1i6e s ASN 68 Ca -0.09 -1.49 -0.23 0.00 -0.71 0.00 0.00 52.86 50.33 1i6e s ASN 68 Cb 0.01 -0.69 -0.22 0.00 0.41 0.00 0.00 41.25 40.76 1i6e s ASN 68 CO 0.28 -0.42 1.08 1.55 -1.51 0.00 0.00 177.10 178.09 1i6e h PRO 69 N 8.20 0.25 -0.41 -0.60 0.13 -1.61 -2.57 132.00 135.39 1i6e h PRO 69 Ca -0.16 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1i6e h PRO 69 Cb 1.02 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1i6e h PRO 69 CO 0.46 0.94 0.19 0.87 -0.23 0.00 0.00 178.00 180.23 1i6e h LYS 70 N -0.34 0.57 -0.17 0.86 1.79 -1.86 -0.89 116.57 116.54 1i6e h LYS 70 Ca -0.04 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.23 1i6e h LYS 70 Cb 1.05 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1i6e h LYS 70 CO 0.07 0.46 -0.42 0.00 -1.08 0.00 0.00 179.45 178.47 1i6e h ALA 71 N 1.63 0.28 0.29 3.86 0.00 -1.98 -3.20 119.26 120.14 1i6e h ALA 71 Ca 0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1i6e h ALA 71 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i6e h ALA 71 CO -0.02 0.39 -0.14 0.28 0.00 0.00 0.00 179.25 179.77 1i6e h VAL 72 N 0.24 0.69 -3.29 0.00 2.07 -1.45 -3.39 116.25 111.11 1i6e h VAL 72 Ca -0.00 -0.70 -0.73 0.00 0.82 0.00 0.00 66.70 66.09 1i6e h VAL 72 Cb 1.03 1.03 -0.29 0.00 -1.52 0.00 0.00 31.29 31.54 1i6e h VAL 72 CO 0.09 0.13 -0.38 -0.69 0.02 0.00 0.00 177.57 176.74 1i6e s VAL 73 N -4.36 4.32 -0.72 2.57 1.01 -0.34 -5.06 120.40 117.82 1i6e s VAL 73 Ca -0.14 -1.71 -0.26 0.00 0.00 0.00 0.00 61.98 59.87 1i6e s VAL 73 Cb 0.02 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1i6e s VAL 73 CO 0.52 -0.75 1.59 -0.75 0.00 0.00 0.00 175.10 175.70 1i6e s LYS 74 N 1.39 2.93 0.00 2.72 2.20 -1.21 -2.51 119.74 125.27 1i6e s LYS 74 Ca 0.05 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1i6e s LYS 74 Cb -0.26 -4.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.64 1i6e s LYS 74 CO -0.00 -2.49 0.00 0.41 -0.36 0.00 0.00 175.35 172.91 1i6e n GLY 75 N 5.73 1.61 3.74 5.54 0.00 -1.26 -4.78 105.19 115.76 1i6e n GLY 75 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1i6e n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6e s THR 76 N -2.00 3.15 -2.00 2.61 -1.32 -1.04 -4.59 115.64 110.44 1i6e s THR 76 Ca 0.00 0.97 0.04 0.00 -1.21 0.00 0.00 61.69 61.49 1i6e s THR 76 Cb 0.00 -3.62 0.12 0.00 -1.51 0.00 0.00 72.50 67.49 1i6e s THR 76 CO 0.00 0.16 0.85 2.29 -2.21 0.00 0.00 174.62 175.70 1i6e n LYS 77 N 2.40 0.64 -2.44 7.08 2.85 -1.26 -4.79 118.16 122.65 1i6e n LYS 77 Ca 0.05 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 1i6e n LYS 77 Cb 0.43 -1.10 -0.03 0.00 -0.65 0.00 0.00 35.03 33.68 1i6e n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6e s MET 78 N -2.00 3.32 -1.46 -1.58 1.75 -1.26 -4.96 119.30 113.11 1i6e s MET 78 Ca 0.06 0.34 -0.14 0.00 -1.25 0.00 0.00 55.69 54.71 1i6e s MET 78 Cb 0.03 -4.11 0.04 0.00 2.84 0.00 0.00 34.83 33.63 1i6e s MET 78 CO 0.05 -1.92 2.23 0.00 -0.65 0.00 0.00 175.02 174.72 1i6e n ALA 79 N 9.39 5.58 -2.86 4.11 0.00 -1.26 -4.81 120.51 130.65 1i6e n ALA 79 Ca 0.11 -3.89 -0.26 0.00 0.00 0.00 0.00 53.44 49.40 1i6e n ALA 79 Cb 0.49 -3.52 -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 3.09 1.73 -0.04 0.00 5.36 -1.26 -5.10 117.98 121.76 1i6e s PHE 80 Ca 0.47 -0.48 -0.17 0.00 -0.96 0.00 0.00 56.93 55.79 1i6e s PHE 80 Cb 0.14 -1.16 -0.11 0.00 -0.34 0.00 0.00 43.02 41.55 1i6e s PHE 80 CO -0.09 -0.16 0.73 0.00 -1.46 0.00 0.00 175.22 174.24 1i6e h ALA 81 N 6.20 -0.40 0.00 11.12 0.00 -1.96 -3.43 119.26 130.79 1i6e h ALA 81 Ca -0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i6e h ALA 81 Cb 1.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1i6e h ALA 81 CO 0.48 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1i6e n GLY 82 N 0.48 3.90 3.28 0.00 0.00 -1.26 -4.54 105.19 107.05 1i6e n GLY 82 Ca -0.07 -0.77 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 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 6.19 0.28 0.99 1.43 0.50 -4.99 118.68 123.07 1i6e s LEU 83 Ca 0.00 -2.09 0.06 0.00 -1.03 0.00 0.00 54.13 51.07 1i6e s LEU 83 Cb 0.00 -2.15 0.42 0.00 0.03 0.00 0.00 46.19 44.49 1i6e s LEU 83 CO 0.00 -0.73 1.68 1.55 0.23 0.00 0.00 176.35 179.08 1i6e h PRO 84 N 8.44 0.26 -6.37 1.29 0.13 -1.86 -3.39 132.00 130.50 1i6e h PRO 84 Ca -0.17 -0.13 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 1i6e h PRO 84 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1i6e h PRO 84 CO 0.92 0.65 0.57 0.15 -0.23 0.00 0.00 178.00 180.05 1i6e s LYS 85 N -4.12 4.43 0.24 0.86 1.02 -1.26 -4.99 119.74 115.92 1i6e s LYS 85 Ca -0.05 1.59 -0.06 0.00 0.02 0.00 0.00 55.97 57.47 1i6e s LYS 85 Cb 0.13 -3.48 0.28 0.00 -0.52 0.00 0.00 37.83 34.24 1i6e s LYS 85 CO 0.78 -0.29 1.89 0.97 -0.92 0.00 0.00 175.35 177.78 1i6e h ILE 86 N 4.85 1.16 -0.55 2.17 6.09 -2.01 -3.03 117.51 126.19 1i6e h ILE 86 Ca -0.37 -0.40 0.09 0.00 -1.37 0.00 0.00 64.86 62.81 1i6e h ILE 86 Cb 1.19 -0.10 -0.07 0.00 0.47 0.00 0.00 36.82 38.31 1i6e h ILE 86 CO 0.83 0.21 0.17 1.05 -3.07 0.00 0.00 178.15 177.35 1i6e h GLU 87 N 1.16 0.33 -0.50 2.19 4.11 -1.98 0.23 114.58 120.11 1i6e h GLU 87 Ca 0.36 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.82 1i6e h GLU 87 Cb -0.01 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1i6e h GLU 87 CO -0.12 0.22 0.24 -0.44 0.07 0.00 0.00 179.01 178.99 1i6e h ASP 88 N 0.34 0.33 0.22 3.06 5.19 -1.96 0.38 116.42 123.99 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 0.34 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1i6e h ASP 88 CO -0.30 0.23 -0.11 0.03 -3.12 0.00 0.00 179.24 175.98 1i6e h ARG 89 N 0.47 -0.29 -0.45 3.56 3.08 -1.40 -2.29 114.38 117.06 1i6e h ARG 89 Ca 0.23 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.33 1i6e h ARG 89 Cb 0.15 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1i6e h ARG 89 CO -0.17 -0.09 0.24 0.00 -1.07 0.00 0.00 179.97 178.89 1i6e h ALA 90 N 0.31 0.57 -0.10 0.04 0.00 -0.95 -0.62 119.26 118.52 1i6e h ALA 90 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 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 0.05 -0.09 -0.05 -0.91 0.00 0.00 0.00 179.25 178.24 1i6e h ASN 91 N 0.49 -0.17 -0.36 0.00 2.35 -1.00 -0.64 115.58 116.24 1i6e h ASN 91 Ca 0.19 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 56.04 1i6e h ASN 91 Cb 0.07 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1i6e h ASN 91 CO -0.11 -0.07 0.07 0.25 -1.65 0.00 0.00 177.43 175.91 1i6e h LEU 92 N -0.05 -0.00 -0.69 1.61 5.85 -1.39 -1.55 115.31 119.08 1i6e h LEU 92 Ca 0.06 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1i6e h LEU 92 Cb 0.13 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1i6e h LEU 92 CO -0.13 0.03 0.22 0.40 -0.34 0.00 0.00 178.44 178.63 1i6e h ILE 93 N 0.19 1.25 -0.76 4.05 2.04 -1.05 0.03 117.51 123.26 1i6e h ILE 93 Ca 0.17 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.26 1i6e h ILE 93 Cb 0.20 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1i6e h ILE 93 CO -0.23 0.34 0.41 0.00 0.00 0.00 0.00 178.15 178.67 1i6e h ALA 94 N 1.10 1.06 -0.25 1.87 0.00 -1.09 0.43 119.26 122.39 1i6e h ALA 94 Ca 0.22 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1i6e h ALA 94 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1i6e h ALA 94 CO -0.01 0.03 0.14 -0.92 0.00 0.00 0.00 179.25 178.49 1i6e h TYR 95 N 0.70 0.26 0.00 0.00 3.20 -1.00 -2.25 116.97 117.88 1i6e h TYR 95 Ca 0.37 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.21 1i6e h TYR 95 Cb 0.34 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1i6e h TYR 95 CO -0.08 0.15 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.35 1i6e h LEU 96 N 0.29 0.00 -1.04 2.82 3.38 -0.84 0.10 115.31 120.02 1i6e h LEU 96 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1i6e h LEU 96 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1i6e h LEU 96 CO -0.05 0.17 -0.18 -0.33 0.09 0.00 0.00 178.44 178.14 1i6e h GLU 97 N 0.00 0.48 -0.17 1.13 5.08 -0.86 -3.23 114.58 117.01 1i6e h GLU 97 Ca -0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1i6e h GLU 97 Cb 0.35 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1i6e h GLU 97 CO 0.02 0.64 -0.02 0.78 -1.00 0.00 0.00 179.01 179.43 1i6e h GLY 98 N 0.96 0.34 -6.14 -3.84 0.00 -0.95 -3.37 103.07 90.07 1i6e h GLY 98 Ca 0.07 -0.26 -0.72 0.00 0.00 0.00 0.00 47.33 46.42 1i6e h GLY 98 CO 0.04 0.24 2.82 -1.06 0.00 0.00 0.00 176.54 178.58 1i6e n GLN 99 N -4.70 3.07 0.00 4.80 1.13 0.32 -5.06 117.38 116.94 1i6e n GLN 99 Ca -0.05 -2.87 0.00 0.00 -1.94 0.00 0.00 57.00 52.14 1i6e n GLN 99 Cb 0.25 -3.19 0.00 0.00 0.11 0.00 0.00 30.24 27.41 1i6e n GLN 99 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56