#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 -2.43 -2.49 3.17 0.00 -1.26 -4.98 120.51 112.52 1i6e n ALA 2 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1i6e n ALA 2 Cb 0.00 -2.86 -0.09 0.00 0.00 0.00 0.00 19.45 16.50 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 -3.73 6.18 0.43 0.00 -1.08 -1.26 -4.86 116.67 112.35 1i6e s ASP 3 Ca 0.36 -0.64 0.21 0.00 -0.52 0.00 0.00 52.55 51.96 1i6e s ASP 3 Cb -0.16 -2.21 0.94 0.00 -1.46 0.00 0.00 42.92 40.02 1i6e s ASP 3 CO 0.92 -0.54 1.85 1.55 0.52 0.00 0.00 175.17 179.47 1i6e h PRO 4 N 8.69 0.00 -0.05 4.34 0.13 -1.86 -1.66 132.00 141.58 1i6e h PRO 4 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1i6e h PRO 4 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i6e h PRO 4 CO 0.78 0.28 0.01 0.00 -0.23 0.00 0.00 178.00 178.83 1i6e h ALA 5 N 1.72 0.07 -0.96 -0.56 0.00 -1.94 -0.85 119.26 116.74 1i6e h ALA 5 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1i6e h ALA 5 Cb 0.69 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1i6e h ALA 5 CO 0.04 -0.30 0.62 0.00 0.00 0.00 0.00 179.25 179.61 1i6e h ALA 6 N 0.78 1.43 -0.89 0.00 0.00 -1.92 -2.89 119.26 115.77 1i6e h ALA 6 Ca 0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1i6e h ALA 6 Cb 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1i6e h ALA 6 CO 0.00 0.45 0.54 0.78 0.00 0.00 0.00 179.25 181.02 1i6e h GLY 7 N 1.15 1.38 0.61 0.00 0.00 -1.23 -0.94 103.07 104.04 1i6e h GLY 7 Ca 0.40 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.43 1i6e h GLY 7 CO -0.14 0.20 0.36 -2.09 0.00 0.00 0.00 176.54 174.87 1i6e h GLU 8 N 0.93 0.63 -0.31 4.80 4.22 -1.06 -0.07 114.58 123.72 1i6e h GLU 8 Ca 0.41 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.82 1i6e h GLU 8 Cb 0.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1i6e h GLU 8 CO -0.22 0.42 0.20 0.87 -2.18 0.00 0.00 179.01 178.09 1i6e h LYS 9 N 0.65 0.39 -0.70 1.92 1.57 -1.28 -2.99 116.57 116.14 1i6e h LYS 9 Ca 0.31 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1i6e h LYS 9 Cb 0.24 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1i6e h LYS 9 CO -0.21 0.26 0.46 0.28 -0.57 0.00 0.00 179.45 179.67 1i6e h VAL 10 N 0.40 1.09 0.00 0.50 2.07 -1.07 -2.66 116.25 116.58 1i6e h VAL 10 Ca 0.12 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1i6e h VAL 10 Cb -0.03 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1i6e h VAL 10 CO -0.04 0.15 0.28 0.15 0.02 0.00 0.00 177.57 178.13 1i6e h PHE 11 N 0.82 0.00 -1.10 1.57 3.57 -0.84 -2.30 116.94 118.67 1i6e h PHE 11 Ca 0.28 0.00 0.36 0.00 3.53 0.00 0.00 57.97 62.14 1i6e h PHE 11 Cb 0.10 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.70 1i6e h PHE 11 CO -0.00 0.00 0.66 0.78 -2.23 0.00 0.00 178.31 177.52 1i6e h GLY 12 N 0.00 1.79 1.26 2.40 0.00 -1.51 0.22 103.07 107.23 1i6e h GLY 12 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1i6e h GLY 12 CO 0.00 -0.46 -0.05 0.50 0.00 0.00 0.00 176.54 176.53 1i6e h LYS 13 N 0.23 0.88 0.08 4.80 1.57 -1.65 -3.37 116.57 119.11 1i6e h LYS 13 Ca 0.76 -0.27 -0.26 0.00 -1.87 0.00 0.00 60.65 59.00 1i6e h LYS 13 Cb 1.98 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.19 1i6e h LYS 13 CO -0.54 0.91 -1.27 0.00 -0.57 0.00 0.00 179.45 177.98 1i6e h LYS 15 N 0.05 0.53 -0.62 0.00 2.10 -1.16 -1.67 116.57 115.80 1i6e h LYS 15 Ca -0.13 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.54 1i6e h LYS 15 Cb 1.93 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 33.10 1i6e h LYS 15 CO 0.17 0.35 0.41 0.00 -2.00 0.00 0.00 179.45 178.38 1i6e h ALA 16 N 1.64 1.75 0.03 0.07 0.00 -1.82 -3.31 119.26 117.63 1i6e h ALA 16 Ca 0.34 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.84 1i6e h ALA 16 Cb 0.57 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1i6e h ALA 16 CO -0.11 0.16 -2.24 0.00 0.00 0.00 0.00 179.25 177.06 1i6e s HIS 18 N -2.51 3.23 -0.14 0.00 3.76 -0.65 -1.53 115.29 117.45 1i6e s HIS 18 Ca -0.32 0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.54 1i6e s HIS 18 Cb 0.09 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1i6e s HIS 18 CO 0.62 0.06 0.08 0.15 -0.85 0.00 0.00 174.74 174.80 1i6e s LYS 19 N 0.65 3.57 0.33 1.40 1.02 -1.26 -4.25 119.74 121.20 1i6e s LYS 19 Ca 0.04 -0.28 0.18 0.00 0.02 0.00 0.00 55.97 55.93 1i6e s LYS 19 Cb -0.13 -3.12 0.21 0.00 -0.52 0.00 0.00 37.83 34.27 1i6e s LYS 19 CO 0.01 0.55 1.52 -0.07 -0.92 0.00 0.00 175.35 176.45 1i6e h LEU 20 N 5.74 0.00 -5.55 3.17 3.38 -1.95 -3.29 115.31 116.82 1i6e h LEU 20 Ca -0.47 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.78 1i6e h LEU 20 Cb 1.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1i6e h LEU 20 CO 0.63 0.36 2.87 0.47 0.09 0.00 0.00 178.44 182.85 1i6e n ASP 21 N -3.21 7.74 0.00 -0.43 9.92 -1.26 -4.41 116.55 124.89 1i6e n ASP 21 Ca 0.02 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.34 1i6e n ASP 21 Cb 0.66 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 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 2.54 1.20 3.80 0.44 0.00 -1.26 -4.97 105.19 106.94 1i6e n GLY 22 Ca 0.65 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.32 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 6.99 -0.34 1.61 0.01 -1.26 -4.71 114.94 117.23 1i6e s ASN 23 Ca 0.00 1.77 -0.02 0.00 -0.71 0.00 0.00 52.86 53.90 1i6e s ASN 23 Cb 0.00 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.18 1i6e s ASN 23 CO 0.00 -0.32 0.08 -1.81 -1.51 0.00 0.00 177.10 173.54 1i6e s ASP 24 N -1.97 5.06 0.00 -1.22 1.01 -1.26 -3.91 116.67 114.38 1i6e s ASP 24 Ca 0.59 -1.56 0.00 0.00 0.71 0.00 0.00 52.55 52.29 1i6e s ASP 24 Cb -0.13 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1i6e s ASP 24 CO 0.18 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1i6e n GLY 25 N 4.62 0.22 0.13 0.21 0.00 -1.26 -4.95 105.19 104.17 1i6e n GLY 25 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.94 -2.79 1.61 2.07 -1.89 -3.45 116.25 112.73 1i6e h VAL 26 Ca 0.00 -0.98 -0.59 0.00 0.82 0.00 0.00 66.70 65.95 1i6e h VAL 26 Cb 0.00 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1i6e h VAL 26 CO 0.00 0.21 -0.51 -0.83 0.02 0.00 0.00 177.57 176.46 1i6e s GLY 27 N -3.09 1.94 0.35 2.17 0.00 -0.58 -5.01 107.32 103.09 1i6e s GLY 27 Ca -0.14 -0.98 -0.26 0.00 0.00 0.00 0.00 44.72 43.34 1i6e s GLY 27 CO 0.55 -0.97 1.05 2.56 0.00 0.00 0.00 173.10 176.29 1i6e s PRO 28 N -2.83 4.39 -0.26 2.90 0.04 -1.26 -4.47 135.00 133.51 1i6e s PRO 28 Ca 0.34 1.59 -0.42 0.00 0.04 0.00 0.00 61.00 62.55 1i6e s PRO 28 Cb -0.12 -2.81 -0.18 0.00 0.04 0.00 0.00 34.50 31.43 1i6e s PRO 28 CO 0.27 0.04 1.54 -2.39 0.04 0.00 0.00 177.00 176.51 1i6e n HIS 29 N 0.48 1.68 1.19 0.56 1.44 -1.25 -4.80 115.22 114.52 1i6e n HIS 29 Ca 0.02 0.82 0.14 0.00 -2.01 0.00 0.00 57.72 56.70 1i6e n HIS 29 Cb 0.48 -2.31 0.61 0.00 0.12 0.00 0.00 29.99 28.88 1i6e n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1i6e n LEU 30 N 3.97 0.15 -4.62 2.39 4.77 -1.24 -4.67 117.00 117.75 1i6e n LEU 30 Ca 0.26 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 1i6e n LEU 30 Cb 0.07 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1i6e n LEU 30 CO 0.78 0.03 1.56 0.21 -1.33 0.00 0.00 177.39 178.65 1i6e s ASN 31 N -2.79 6.06 0.00 -1.43 2.47 -1.26 -3.30 114.94 114.70 1i6e s ASN 31 Ca 0.20 1.80 0.00 0.00 0.42 0.00 0.00 52.86 55.28 1i6e s ASN 31 Cb 0.19 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1i6e s ASN 31 CO 0.52 -1.49 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 1i6e n GLY 32 N 5.07 0.75 0.10 1.21 0.00 -0.05 -4.86 105.19 107.40 1i6e n GLY 32 Ca 0.23 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.79 1.26 -2.27 1.61 3.14 -1.21 -4.57 118.33 114.50 1i6e n VAL 33 Ca 0.00 -0.67 -0.42 0.00 -2.96 0.00 0.00 64.34 60.29 1i6e n VAL 33 Cb 0.47 -0.80 -0.03 0.00 -1.06 0.00 0.00 33.84 32.43 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 -2.44 3.70 0.00 1.55 1.01 -1.26 -1.19 120.40 121.77 1i6e s VAL 34 Ca -0.17 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1i6e s VAL 34 Cb 0.06 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1i6e s VAL 34 CO 0.66 -0.91 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1i6e n GLY 35 N 5.31 0.79 3.78 4.51 0.00 -0.09 -5.00 105.19 114.49 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 -0.83 4.11 0.34 1.61 3.52 -0.33 -4.61 118.95 122.75 1i6e s ARG 36 Ca 0.00 1.63 -0.28 0.00 -0.13 0.00 0.00 55.73 56.95 1i6e s ARG 36 Cb 0.00 -2.58 -0.12 0.00 -1.56 0.00 0.00 34.95 30.68 1i6e s ARG 36 CO 0.00 -0.22 1.22 2.41 -0.81 0.00 0.00 175.30 177.90 1i6e n THR 37 N -0.04 2.05 -2.13 4.11 -1.04 -1.26 -0.30 114.28 115.66 1i6e n THR 37 Ca 0.05 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.13 1i6e n THR 37 Cb 0.48 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.54 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 -1.10 3.76 -0.85 12.58 1.01 -0.69 -1.90 120.40 133.21 1i6e s VAL 38 Ca 0.57 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 1i6e s VAL 38 Cb -0.59 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1i6e s VAL 38 CO 0.61 -0.19 0.73 0.00 0.00 0.00 0.00 175.10 176.26 1i6e n ALA 39 N 7.66 -1.95 -0.05 5.51 0.00 -1.26 -4.43 120.51 125.98 1i6e n ALA 39 Ca 0.17 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1i6e n ALA 39 Cb 0.44 -4.09 -0.11 0.00 0.00 0.00 0.00 19.45 15.70 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 -1.25 -0.67 3.64 0.00 0.00 -0.80 -4.95 105.19 101.16 1i6e n GLY 40 Ca -0.09 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.53 3.78 -1.39 1.61 1.01 -1.26 -4.93 120.40 116.69 1i6e s VAL 41 Ca -0.06 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 1i6e s VAL 41 Cb 0.06 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1i6e s VAL 41 CO 0.57 -0.27 2.04 0.47 0.00 0.00 0.00 175.10 177.91 1i6e n ASP 42 N 8.06 4.26 0.00 3.32 9.92 -1.26 -3.81 116.55 137.04 1i6e n ASP 42 Ca 0.18 -2.87 0.00 0.00 -0.53 0.00 0.00 54.79 51.57 1i6e n ASP 42 Cb 0.45 -1.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 1i6e n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i6e n GLY 43 N 4.62 0.00 3.39 0.44 0.00 -1.26 -5.18 105.19 107.19 1i6e n GLY 43 Ca 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.49 -0.95 1.61 5.36 -1.25 -4.95 117.98 117.32 1i6e s PHE 44 Ca 0.00 1.07 -0.24 0.00 -0.96 0.00 0.00 56.93 56.80 1i6e s PHE 44 Cb 0.00 0.21 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1i6e s PHE 44 CO 0.00 -0.36 1.69 1.21 -1.46 0.00 0.00 175.22 176.31 1i6e s ASN 45 N -0.35 5.81 0.31 6.13 3.84 -1.26 -5.01 114.94 124.40 1i6e s ASN 45 Ca -0.05 -1.01 -0.21 0.00 0.21 0.00 0.00 52.86 51.80 1i6e s ASN 45 Cb -0.03 -2.56 -0.09 0.00 -0.55 0.00 0.00 41.25 38.01 1i6e s ASN 45 CO 0.03 -2.13 0.84 -0.31 -2.79 0.00 0.00 177.10 172.74 1i6e s TYR 46 N 7.55 3.56 0.65 0.43 2.02 -1.26 -5.08 117.35 125.22 1i6e s TYR 46 Ca 0.58 1.53 -0.16 0.00 -0.37 0.00 0.00 57.07 58.65 1i6e s TYR 46 Cb -0.04 -2.75 -0.01 0.00 -0.40 0.00 0.00 41.96 38.77 1i6e s TYR 46 CO -0.04 0.18 1.14 0.45 -1.57 0.00 0.00 175.55 175.71 1i6e s SER 47 N -1.83 5.06 0.13 2.29 0.15 -1.26 -4.86 113.70 113.39 1i6e s SER 47 Ca 0.50 2.12 -0.18 0.00 0.70 0.00 0.00 55.95 59.09 1i6e s SER 47 Cb -0.15 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1i6e s SER 47 CO 0.20 -1.67 1.77 0.44 1.20 0.00 0.00 173.24 175.18 1i6e h ASP 48 N 0.24 0.36 0.31 5.45 3.32 -1.98 -1.04 116.42 123.08 1i6e h ASP 48 Ca -0.48 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1i6e h ASP 48 Cb 1.26 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1i6e h ASP 48 CO 0.54 0.30 -0.08 1.55 -1.72 0.00 0.00 179.24 179.82 1i6e h PRO 49 N 0.39 0.00 -0.04 3.56 0.13 -1.86 0.24 132.00 134.42 1i6e h PRO 49 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1i6e h PRO 49 Cb -0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1i6e h PRO 49 CO -0.02 0.08 0.01 1.98 -0.23 0.00 0.00 178.00 179.82 1i6e h MET 50 N 0.00 0.06 -0.34 0.86 4.05 -1.79 -2.69 114.93 115.09 1i6e h MET 50 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1i6e h MET 50 Cb 0.26 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1i6e h MET 50 CO 0.01 0.30 0.22 0.87 0.23 0.00 0.00 176.91 178.54 1i6e h LYS 51 N -0.18 0.44 0.00 0.39 1.57 -1.00 -3.00 116.57 114.80 1i6e h LYS 51 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1i6e h LYS 51 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1i6e h LYS 51 CO 0.00 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1i6e n ALA 52 N -2.19 1.48 0.23 3.86 0.00 0.06 -3.99 120.51 119.95 1i6e n ALA 52 Ca -0.01 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1i6e n ALA 52 Cb 0.03 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.59 -0.28 0.00 6.17 -1.32 -3.50 115.15 115.63 1i6e h HIS 53 Ca 0.00 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.10 1i6e h HIS 53 Cb 0.22 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 1i6e h HIS 53 CO 0.00 -0.28 -0.04 0.41 0.71 0.00 0.00 177.93 178.72 1i6e n GLY 54 N -0.15 -2.20 7.00 5.26 0.00 -1.26 -5.07 105.19 108.76 1i6e n GLY 54 Ca -0.09 -1.49 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 -1.11 -0.03 3.17 -0.02 0.00 -1.26 -4.53 105.19 101.40 1i6e n GLY 55 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 1.36 -1.25 1.61 1.01 -1.26 -1.70 116.67 112.43 1i6e s ASP 56 Ca 0.00 -0.82 -0.19 0.00 0.71 0.00 0.00 52.55 52.25 1i6e s ASP 56 Cb 0.00 0.02 0.01 0.00 1.01 0.00 0.00 42.92 43.96 1i6e s ASP 56 CO 0.00 -0.29 1.87 0.79 0.21 0.00 0.00 175.17 177.75 1i6e n TRP 57 N 0.55 3.80 -1.70 4.23 7.02 0.58 -4.81 117.44 127.11 1i6e n TRP 57 Ca -0.16 -2.41 -0.31 0.00 -1.02 0.00 0.00 57.50 53.60 1i6e n TRP 57 Cb 0.58 -2.56 0.04 0.00 -2.42 0.00 0.00 31.31 26.95 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 5.99 4.04 0.38 -0.99 -4.23 -1.26 -0.91 115.64 118.65 1i6e s THR 58 Ca 0.57 0.66 0.09 0.00 -1.18 0.00 0.00 61.69 61.83 1i6e s THR 58 Cb 0.05 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.69 1i6e s THR 58 CO 0.08 -0.87 1.94 1.55 -0.54 0.00 0.00 174.62 176.78 1i6e h PRO 59 N -0.64 0.63 0.15 3.99 0.13 -1.98 0.37 132.00 134.65 1i6e h PRO 59 Ca -0.44 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1i6e h PRO 59 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i6e h PRO 59 CO 0.60 0.42 -0.07 1.49 -0.23 0.00 0.00 178.00 180.20 1i6e h GLU 60 N 0.65 -0.19 -0.56 0.86 4.81 -1.99 -1.71 114.58 116.44 1i6e h GLU 60 Ca 0.34 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1i6e h GLU 60 Cb 0.46 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1i6e h GLU 60 CO -0.12 0.01 0.37 0.00 -0.73 0.00 0.00 179.01 178.54 1i6e h ALA 61 N 0.45 0.72 0.07 2.92 0.00 -1.82 -2.21 119.26 119.38 1i6e h ALA 61 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1i6e h ALA 61 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1i6e h ALA 61 CO 0.03 0.16 -0.12 -0.07 0.00 0.00 0.00 179.25 179.25 1i6e h LEU 62 N 0.77 -0.33 -1.41 0.00 3.38 -1.04 -1.91 115.31 114.76 1i6e h LEU 62 Ca 0.21 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1i6e h LEU 62 Cb -0.08 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1i6e h LEU 62 CO -0.04 -0.18 0.07 0.06 0.09 0.00 0.00 178.44 178.44 1i6e h GLN 63 N -0.24 0.46 0.46 1.13 -0.00 -1.27 0.17 115.11 115.82 1i6e h GLN 63 Ca 0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1i6e h GLN 63 Cb 0.26 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 1i6e h GLN 63 CO -0.07 0.43 -0.22 0.93 -0.00 0.00 0.00 178.83 179.90 1i6e h GLU 64 N 0.45 -0.59 -0.88 0.06 4.39 -1.43 -1.79 114.58 114.78 1i6e h GLU 64 Ca 0.11 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1i6e h GLU 64 Cb 0.19 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1i6e h GLU 64 CO -0.00 -0.33 0.58 0.35 -1.16 0.00 0.00 179.01 178.45 1i6e h PHE 65 N -0.76 1.09 0.00 4.33 3.57 -1.19 -2.11 116.94 121.87 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 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1i6e h PHE 65 CO -0.01 0.66 0.00 -0.07 -2.23 0.00 0.00 178.31 176.65 1i6e h LEU 66 N 1.15 0.00 0.40 0.59 3.38 -0.77 -2.07 115.31 117.98 1i6e h LEU 66 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1i6e h LEU 66 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1i6e h LEU 66 CO -0.09 0.00 -0.19 0.74 0.09 0.00 0.00 178.44 178.99 1i6e h THR 67 N 0.00 0.00 -3.07 0.22 2.02 -0.99 0.13 112.91 111.22 1i6e h THR 67 Ca 0.00 -0.17 -0.55 0.00 0.77 0.00 0.00 66.41 66.45 1i6e h THR 67 Cb 0.55 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.56 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 -3.53 3.68 -0.09 4.18 0.01 -0.82 -4.03 114.94 114.34 1i6e s ASN 68 Ca -0.08 -1.38 -0.25 0.00 -0.71 0.00 0.00 52.86 50.44 1i6e s ASN 68 Cb 0.01 -0.67 -0.21 0.00 0.41 0.00 0.00 41.25 40.79 1i6e s ASN 68 CO 0.23 -0.40 0.89 1.55 -1.51 0.00 0.00 177.10 177.86 1i6e h PRO 69 N 8.21 -0.04 0.00 -0.60 0.13 -1.61 -2.64 132.00 135.45 1i6e h PRO 69 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1i6e h PRO 69 Cb 1.03 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1i6e h PRO 69 CO 0.44 0.65 -0.04 0.87 -0.23 0.00 0.00 178.00 179.68 1i6e h LYS 70 N -0.82 0.00 -0.11 0.86 1.57 -1.85 -0.96 116.57 115.27 1i6e h LYS 70 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1i6e h LYS 70 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1i6e h LYS 70 CO 0.01 0.04 -0.46 0.00 -0.57 0.00 0.00 179.45 178.47 1i6e h ALA 71 N 1.96 0.20 0.43 3.86 0.00 -1.98 -3.30 119.26 120.44 1i6e h ALA 71 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1i6e h ALA 71 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i6e h ALA 71 CO 0.01 0.35 -0.21 0.28 0.00 0.00 0.00 179.25 179.68 1i6e h VAL 72 N 0.09 0.37 -3.14 0.00 2.07 -1.37 -3.38 116.25 110.89 1i6e h VAL 72 Ca -0.03 -0.58 -0.76 0.00 0.82 0.00 0.00 66.70 66.16 1i6e h VAL 72 Cb 1.10 0.55 -0.25 0.00 -1.52 0.00 0.00 31.29 31.17 1i6e h VAL 72 CO 0.10 0.07 -0.23 -0.69 0.02 0.00 0.00 177.57 176.84 1i6e s VAL 73 N -4.23 5.11 -0.83 2.57 1.01 -0.37 -5.04 120.40 118.62 1i6e s VAL 73 Ca -0.13 -1.57 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 1i6e s VAL 73 Cb 0.01 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1i6e s VAL 73 CO 0.44 -0.87 1.67 -0.75 0.00 0.00 0.00 175.10 175.60 1i6e s LYS 74 N 1.52 2.95 0.00 2.72 2.20 -1.24 -2.40 119.74 125.48 1i6e s LYS 74 Ca 0.04 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1i6e s LYS 74 Cb -0.29 -4.79 0.00 0.00 -1.51 0.00 0.00 37.83 31.24 1i6e s LYS 74 CO 0.02 -2.69 0.00 0.41 -0.36 0.00 0.00 175.35 172.73 1i6e n GLY 75 N 6.28 1.58 3.75 5.54 0.00 -1.26 -4.78 105.19 116.30 1i6e n GLY 75 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 3.44 -2.00 2.61 -1.32 -1.01 -4.68 115.64 110.68 1i6e s THR 76 Ca 0.00 1.32 0.10 0.00 -1.21 0.00 0.00 61.69 61.90 1i6e s THR 76 Cb 0.00 -3.84 0.27 0.00 -1.51 0.00 0.00 72.50 67.42 1i6e s THR 76 CO 0.00 0.27 1.12 2.29 -2.21 0.00 0.00 174.62 176.08 1i6e n LYS 77 N 1.78 0.67 -2.06 7.08 2.85 -1.26 -4.79 118.16 122.43 1i6e n LYS 77 Ca 0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.91 1i6e n LYS 77 Cb 0.44 -1.22 -0.03 0.00 -0.65 0.00 0.00 35.03 33.57 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 2.64 -1.40 -1.58 1.75 -1.26 -4.93 119.30 112.52 1i6e s MET 78 Ca 0.14 0.41 -0.15 0.00 -1.25 0.00 0.00 55.69 54.85 1i6e s MET 78 Cb 0.07 -4.50 0.02 0.00 2.84 0.00 0.00 34.83 33.25 1i6e s MET 78 CO 0.11 -2.82 2.23 0.00 -0.65 0.00 0.00 175.02 173.89 1i6e n ALA 79 N 12.81 5.41 -2.92 4.11 0.00 -1.26 -4.72 120.51 133.95 1i6e n ALA 79 Ca 0.23 -3.80 -0.24 0.00 0.00 0.00 0.00 53.44 49.63 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 3.33 1.42 -0.02 0.00 5.36 -1.26 -5.09 117.98 121.71 1i6e s PHE 80 Ca 0.49 -0.38 -0.20 0.00 -0.96 0.00 0.00 56.93 55.88 1i6e s PHE 80 Cb 0.14 -0.96 -0.12 0.00 -0.34 0.00 0.00 43.02 41.74 1i6e s PHE 80 CO -0.07 -0.13 0.85 0.00 -1.46 0.00 0.00 175.22 174.41 1i6e h ALA 81 N 6.25 -0.55 0.00 11.12 0.00 -1.95 -3.42 119.26 130.71 1i6e h ALA 81 Ca -0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1i6e h ALA 81 Cb 1.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1i6e h ALA 81 CO 0.48 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1i6e n GLY 82 N 0.13 3.63 3.35 0.00 0.00 -1.26 -4.54 105.19 106.51 1i6e n GLY 82 Ca -0.08 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 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 5.80 0.20 0.99 1.43 0.47 -5.00 118.68 122.57 1i6e s LEU 83 Ca 0.00 -1.54 -0.05 0.00 -1.03 0.00 0.00 54.13 51.52 1i6e s LEU 83 Cb 0.00 -2.24 0.13 0.00 0.03 0.00 0.00 46.19 44.11 1i6e s LEU 83 CO 0.00 -0.85 1.56 1.55 0.23 0.00 0.00 176.35 178.84 1i6e h PRO 84 N 8.91 0.71 -6.61 1.29 0.13 -1.88 -3.39 132.00 131.16 1i6e h PRO 84 Ca -0.29 -0.36 -0.51 0.00 -0.87 0.00 0.00 66.00 63.97 1i6e h PRO 84 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1i6e h PRO 84 CO 1.00 0.97 0.41 0.15 -0.23 0.00 0.00 178.00 180.30 1i6e s LYS 85 N -4.34 4.67 0.26 0.86 1.02 -1.26 -5.00 119.74 115.95 1i6e s LYS 85 Ca -0.09 1.56 -0.03 0.00 0.02 0.00 0.00 55.97 57.43 1i6e s LYS 85 Cb 0.12 -3.33 0.36 0.00 -0.52 0.00 0.00 37.83 34.46 1i6e s LYS 85 CO 0.84 0.17 1.90 0.97 -0.92 0.00 0.00 175.35 178.32 1i6e h ILE 86 N 3.87 1.15 -0.62 2.17 6.09 -2.01 -3.03 117.51 125.13 1i6e h ILE 86 Ca -0.44 -0.42 0.07 0.00 -1.37 0.00 0.00 64.86 62.70 1i6e h ILE 86 Cb 1.21 -0.19 -0.06 0.00 0.47 0.00 0.00 36.82 38.25 1i6e h ILE 86 CO 0.72 0.23 0.31 1.05 -3.07 0.00 0.00 178.15 177.39 1i6e h GLU 87 N 1.24 0.56 -0.54 2.19 4.11 -1.98 0.39 114.58 120.54 1i6e h GLU 87 Ca 0.40 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.86 1i6e h GLU 87 Cb 0.04 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1i6e h GLU 87 CO -0.13 0.37 0.26 -0.44 0.07 0.00 0.00 179.01 179.14 1i6e h ASP 88 N 0.58 0.35 0.34 3.06 3.32 -1.94 -0.00 116.42 122.12 1i6e h ASP 88 Ca 0.29 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1i6e h ASP 88 Cb 0.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1i6e h ASP 88 CO -0.21 0.24 -0.16 0.03 -1.72 0.00 0.00 179.24 177.42 1i6e h ARG 89 N 0.50 -0.44 -0.59 3.56 3.08 -1.40 -2.45 114.38 116.64 1i6e h ARG 89 Ca 0.25 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.35 1i6e h ARG 89 Cb 0.19 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1i6e h ARG 89 CO -0.19 -0.16 0.36 0.00 -1.07 0.00 0.00 179.97 178.91 1i6e h ALA 90 N -0.10 0.76 -0.20 0.04 0.00 -0.93 -0.37 119.26 118.47 1i6e h ALA 90 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i6e h ALA 90 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1i6e h ALA 90 CO 0.08 0.09 0.13 -0.91 0.00 0.00 0.00 179.25 178.64 1i6e h ASN 91 N 0.71 0.24 -0.39 0.00 2.35 -1.10 -0.97 115.58 116.40 1i6e h ASN 91 Ca 0.24 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1i6e h ASN 91 Cb 0.02 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 1i6e h ASN 91 CO -0.10 0.19 0.22 0.25 -1.65 0.00 0.00 177.43 176.33 1i6e h LEU 92 N 0.26 0.34 -0.87 1.61 5.85 -1.39 -1.84 115.31 119.27 1i6e h LEU 92 Ca 0.07 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1i6e h LEU 92 Cb -0.01 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1i6e h LEU 92 CO -0.02 0.25 0.57 0.40 -0.34 0.00 0.00 178.44 179.30 1i6e h ILE 93 N 0.44 1.18 -0.66 4.05 2.04 -1.04 -0.17 117.51 123.35 1i6e h ILE 93 Ca 0.16 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.71 1i6e h ILE 93 Cb 0.03 -0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.00 1i6e h ILE 93 CO -0.09 0.21 0.32 0.00 0.00 0.00 0.00 178.15 178.59 1i6e h ALA 94 N 1.34 0.88 -0.31 1.87 0.00 -1.09 0.53 119.26 122.49 1i6e h ALA 94 Ca 0.33 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1i6e h ALA 94 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1i6e h ALA 94 CO -0.09 -0.07 0.17 -0.92 0.00 0.00 0.00 179.25 178.34 1i6e h TYR 95 N 0.56 0.32 0.00 0.00 3.20 -0.99 -2.36 116.97 117.70 1i6e h TYR 95 Ca 0.32 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 1i6e h TYR 95 Cb 0.31 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1i6e h TYR 95 CO -0.11 0.18 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.39 1i6e h LEU 96 N 0.35 0.00 -0.56 2.82 3.38 -0.89 0.59 115.31 120.99 1i6e h LEU 96 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1i6e h LEU 96 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1i6e h LEU 96 CO -0.07 0.13 0.21 -0.33 0.09 0.00 0.00 178.44 178.47 1i6e h GLU 97 N 0.00 0.85 -0.42 1.13 5.08 -0.88 -3.31 114.58 117.03 1i6e h GLU 97 Ca -0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1i6e h GLU 97 Cb 0.60 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1i6e h GLU 97 CO 0.02 0.75 0.22 0.78 -1.00 0.00 0.00 179.01 179.77 1i6e h GLY 98 N 0.78 0.64 -7.45 -3.84 0.00 -0.93 -3.37 103.07 88.90 1i6e h GLY 98 Ca 0.19 -0.30 -0.57 0.00 0.00 0.00 0.00 47.33 46.64 1i6e h GLY 98 CO -0.01 0.29 1.66 1.20 0.00 0.00 0.00 176.54 179.68 1i6e s GLN 99 N -5.78 3.54 0.00 4.80 -1.52 0.15 -5.06 119.66 115.79 1i6e s GLN 99 Ca -0.13 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 51.89 1i6e s GLN 99 Cb 0.11 -5.39 0.00 0.00 -0.22 0.00 0.00 33.01 27.51 1i6e s GLN 99 CO 0.74 -2.52 0.09 1.04 -0.25 0.00 0.00 175.29 174.40