#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8s s ALA 2 N 0.00 -3.25 0.00 3.52 0.00 -1.26 -4.78 121.76 116.00 2k8s s ALA 2 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k8s s ALA 2 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2k8s s ALA 2 CO 0.00 -2.29 0.00 -1.13 0.00 0.00 0.00 175.76 172.34 2k8s n SER 3 N 4.26 0.00 -3.64 0.00 3.41 -1.26 -4.79 113.62 111.60 2k8s n SER 3 Ca 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.65 2k8s n SER 3 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2k8s n SER 3 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k8s s LYS 4 N 0.06 0.20 -0.23 4.33 2.20 -1.26 -4.07 119.74 120.96 2k8s s LYS 4 Ca 0.00 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2k8s s LYS 4 Cb 0.00 0.10 0.07 0.00 -1.51 0.00 0.00 37.83 36.49 2k8s s LYS 4 CO 0.00 -0.03 0.03 0.00 -0.36 0.00 0.00 175.35 174.99 2k8s s ALA 5 N -0.07 1.28 -0.07 3.13 0.00 0.81 -0.18 121.76 126.65 2k8s s ALA 5 Ca 0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 2k8s s ALA 5 Cb -0.04 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2k8s s ALA 5 CO -0.12 -1.29 0.32 0.42 0.00 0.00 0.00 175.76 175.09 2k8s s ILE 6 N 1.73 5.22 -0.38 0.00 1.01 0.11 -0.22 121.20 128.66 2k8s s ILE 6 Ca 0.01 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.32 2k8s s ILE 6 Cb -0.17 -3.63 0.11 0.00 0.01 0.00 0.00 42.46 38.78 2k8s s ILE 6 CO -0.12 0.53 0.11 0.12 0.00 0.00 0.00 174.94 175.58 2k8s s PHE 7 N -0.59 3.23 -0.14 3.97 5.36 0.14 0.51 117.98 130.46 2k8s s PHE 7 Ca 0.20 -2.82 -0.24 0.00 -0.96 0.00 0.00 56.93 53.11 2k8s s PHE 7 Cb -0.15 -2.66 -0.02 0.00 -0.34 0.00 0.00 43.02 39.85 2k8s s PHE 7 CO 0.09 -0.88 0.77 0.71 -1.46 0.00 0.00 175.22 174.44 2k8s s TYR 8 N 0.72 3.47 0.32 10.12 1.51 0.06 0.28 117.35 133.83 2k8s s TYR 8 Ca 0.13 1.22 0.03 0.00 -1.01 0.00 0.00 57.07 57.44 2k8s s TYR 8 Cb -0.21 -2.92 -0.01 0.00 -0.11 0.00 0.00 41.96 38.71 2k8s s TYR 8 CO -0.08 -0.12 0.36 -2.39 -1.11 0.00 0.00 175.55 172.20 2k8s n HIS 9 N 4.71 -1.05 -0.21 2.71 1.44 0.02 0.23 115.22 123.07 2k8s n HIS 9 Ca 0.02 -2.47 0.01 0.00 -2.01 0.00 0.00 57.72 53.27 2k8s n HIS 9 Cb 0.50 0.39 0.01 0.00 0.12 0.00 0.00 29.99 31.01 2k8s n HIS 9 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k8s n ALA 10 N -0.82 1.91 -2.49 1.59 0.00 -1.26 -0.11 120.51 119.32 2k8s n ALA 10 Ca -0.12 -1.07 -0.04 0.00 0.00 0.00 0.00 53.44 52.21 2k8s n ALA 10 Cb 0.57 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 20.00 2k8s n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8s n GLY 11 N -0.51 -0.64 3.14 0.00 0.00 -1.26 -4.52 105.19 101.40 2k8s n GLY 11 Ca 0.01 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 2k8s n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s h PRO 13 N 2.92 0.47 -0.64 0.00 0.13 -1.99 0.17 132.00 133.07 2k8s h PRO 13 Ca -0.35 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k8s h PRO 13 Cb 1.18 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2k8s h PRO 13 CO 0.61 0.31 0.40 0.28 -0.23 0.00 0.00 178.00 179.37 2k8s h VAL 14 N 0.49 1.17 -0.38 1.56 2.07 -1.99 -0.32 116.25 118.84 2k8s h VAL 14 Ca 0.61 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.64 2k8s h VAL 14 Cb 1.19 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2k8s h VAL 14 CO -0.51 0.18 -0.33 0.00 0.02 0.00 0.00 177.57 176.93 2k8s h VAL 16 N 0.72 1.26 -0.13 0.00 2.07 -0.65 0.14 116.25 119.66 2k8s h VAL 16 Ca 0.07 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2k8s h VAL 16 Cb 0.90 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2k8s h VAL 16 CO 0.08 0.40 0.02 0.28 0.02 0.00 0.00 177.57 178.37 2k8s h SER 17 N 0.91 -0.00 0.13 0.57 0.02 -0.95 0.41 113.55 114.65 2k8s h SER 17 Ca 0.17 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2k8s h SER 17 Cb 0.52 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2k8s h SER 17 CO 0.03 0.02 -0.21 0.00 -1.14 0.00 0.00 176.83 175.52 2k8s h ALA 18 N 1.10 1.47 -0.03 3.77 0.00 -1.11 -1.16 119.26 123.30 2k8s h ALA 18 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k8s h ALA 18 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k8s h ALA 18 CO -0.08 0.38 -0.00 1.49 0.00 0.00 0.00 179.25 181.03 2k8s h GLU 19 N 0.15 0.05 -0.00 0.00 4.81 -0.08 0.22 114.58 119.73 2k8s h GLU 19 Ca 0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k8s h GLU 19 Cb 0.46 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2k8s h GLU 19 CO 0.03 0.36 -0.09 1.04 -0.73 0.00 0.00 179.01 179.62 2k8s n GLN 20 N -4.90 0.76 0.00 1.92 6.02 0.08 -1.74 117.38 119.53 2k8s n GLN 20 Ca -0.07 -0.25 -0.00 0.00 -0.01 0.00 0.00 57.00 56.66 2k8s n GLN 20 Cb 0.19 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 2k8s n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8s n ALA 21 N -0.90 2.10 0.02 -1.58 0.00 -0.46 -4.58 120.51 115.11 2k8s n ALA 21 Ca 0.15 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 2k8s n ALA 21 Cb 0.27 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 2k8s n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k8s h VAL 22 N -0.05 1.16 0.00 0.00 2.07 -0.90 -2.47 116.25 116.06 2k8s h VAL 22 Ca 0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2k8s h VAL 22 Cb 0.05 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2k8s h VAL 22 CO 0.00 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2k8s n ALA 23 N -2.49 2.38 -0.04 1.67 0.00 0.48 -1.74 120.51 120.77 2k8s n ALA 23 Ca -0.08 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 2k8s n ALA 23 Cb 0.29 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.20 2k8s n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k8s n ASN 24 N -1.02 1.03 0.08 0.00 2.85 -0.71 -4.22 115.26 113.27 2k8s n ASN 24 Ca 0.18 0.23 -0.13 0.00 -0.11 0.00 0.00 54.58 54.74 2k8s n ASN 24 Cb 0.09 -0.02 -0.07 0.00 1.24 0.00 0.00 39.78 41.03 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8s h ALA 25 N 0.72 0.31 -1.15 5.20 0.00 -0.91 -3.40 119.26 120.02 2k8s h ALA 25 Ca -0.40 -0.76 -0.44 0.00 0.00 0.00 0.00 54.91 53.31 2k8s h ALA 25 Cb 2.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 2k8s h ALA 25 CO 0.05 0.88 1.11 0.42 0.00 0.00 0.00 179.25 181.71 2k8s s ILE 26 N -3.08 3.48 0.21 0.00 1.01 -0.71 -4.95 121.20 117.17 2k8s s ILE 26 Ca -0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.21 2k8s s ILE 26 Cb 0.08 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 2k8s s ILE 26 CO 0.87 -1.13 1.54 -0.62 0.00 0.00 0.00 174.94 175.59 2k8s s ASP 27 N 7.29 6.56 0.00 3.58 -1.08 -1.26 -4.89 116.67 126.87 2k8s s ASP 27 Ca 0.63 2.70 0.12 0.00 -0.52 0.00 0.00 52.55 55.48 2k8s s ASP 27 Cb -0.09 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 39.29 2k8s s ASP 27 CO 0.09 -0.81 1.37 -0.81 0.52 0.00 0.00 175.17 175.54 2k8s n PRO 28 N 3.15 0.03 0.00 4.34 -0.04 -1.26 -0.67 135.00 140.55 2k8s n PRO 28 Ca 0.11 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 2k8s n PRO 28 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 2k8s n PRO 28 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k8s n SER 29 N -1.47 1.63 -0.05 3.54 2.88 -1.26 -4.38 113.62 114.51 2k8s n SER 29 Ca 0.03 -1.32 -0.21 0.00 -1.33 0.00 0.00 58.87 56.05 2k8s n SER 29 Cb 0.13 0.53 -0.13 0.00 -0.75 0.00 0.00 64.21 64.00 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k8s n LYS 30 N -0.24 0.70 -3.84 -1.46 4.81 0.15 -4.97 118.16 113.32 2k8s n LYS 30 Ca 0.07 0.27 -0.12 0.00 -0.87 0.00 0.00 58.31 57.66 2k8s n LYS 30 Cb 0.36 -1.65 -0.12 0.00 0.02 0.00 0.00 35.03 33.64 2k8s n LYS 30 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2k8s s TYR 31 N -2.52 -0.10 -0.62 5.64 2.02 -0.20 -4.05 117.35 117.52 2k8s s TYR 31 Ca -0.27 0.23 -0.26 0.00 -0.37 0.00 0.00 57.07 56.40 2k8s s TYR 31 Cb 0.08 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.63 2k8s s TYR 31 CO 0.69 -0.13 1.94 0.99 -1.57 0.00 0.00 175.55 177.47 2k8s s THR 32 N -0.33 3.31 -0.30 -0.71 2.01 -1.26 -4.19 115.64 114.17 2k8s s THR 32 Ca -0.04 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 2k8s s THR 32 Cb -0.03 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2k8s s THR 32 CO 0.00 -0.80 1.04 -0.69 -0.69 0.00 0.00 174.62 173.49 2k8s s VAL 33 N 9.60 4.57 -0.47 3.82 1.01 -1.25 -0.13 120.40 137.54 2k8s s VAL 33 Ca 0.71 1.73 -0.01 0.00 0.00 0.00 0.00 61.98 64.41 2k8s s VAL 33 Cb -0.13 -4.37 0.12 0.00 0.00 0.00 0.00 36.38 32.01 2k8s s VAL 33 CO 0.20 -0.40 0.26 -0.70 0.00 0.00 0.00 175.10 174.45 2k8s s GLU 34 N 3.50 2.09 -0.10 2.72 2.56 0.69 -4.96 118.70 125.20 2k8s s GLU 34 Ca 0.44 -2.10 -0.25 0.00 0.00 0.00 0.00 54.97 53.06 2k8s s GLU 34 Cb -0.13 -3.56 -0.03 0.00 2.00 0.00 0.00 34.13 32.42 2k8s s GLU 34 CO 0.13 -1.09 0.79 0.42 -0.56 0.00 0.00 175.26 174.95 2k8s s ILE 35 N 0.65 4.96 -0.18 -3.70 1.01 -1.26 0.25 121.20 122.93 2k8s s ILE 35 Ca 0.12 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.37 2k8s s ILE 35 Cb -0.22 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.17 2k8s s ILE 35 CO -0.04 0.15 -0.14 -0.69 0.00 0.00 0.00 174.94 174.22 2k8s s VAL 36 N 1.39 1.74 -1.18 2.92 1.01 0.14 -4.91 120.40 121.52 2k8s s VAL 36 Ca 0.40 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2k8s s VAL 36 Cb -0.18 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2k8s s VAL 36 CO 0.17 0.34 1.52 -2.28 0.00 0.00 0.00 175.10 174.85 2k8s s HIS 37 N 1.39 2.99 -0.79 5.22 2.46 -1.26 -0.80 115.29 124.50 2k8s s HIS 37 Ca 0.02 -1.61 0.21 0.00 0.47 0.00 0.00 55.06 54.15 2k8s s HIS 37 Cb -0.15 -4.56 0.85 0.00 -0.13 0.00 0.00 32.58 28.60 2k8s s HIS 37 CO -0.10 -1.67 1.65 -0.11 -2.47 0.00 0.00 174.74 172.04 2k8s n LEU 38 N 7.45 0.33 -0.36 8.88 7.94 0.84 -1.16 117.00 140.91 2k8s n LEU 38 Ca 0.40 0.57 -0.01 0.00 -1.11 0.00 0.00 56.01 55.85 2k8s n LEU 38 Cb 0.46 -0.51 0.13 0.00 0.53 0.00 0.00 43.42 44.04 2k8s n LEU 38 CO 0.67 -0.32 1.29 1.23 -1.11 0.00 0.00 177.39 179.16 2k8s h GLY 39 N 2.98 1.39 0.00 -3.96 0.00 -1.74 -3.13 103.07 98.61 2k8s h GLY 39 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2k8s h GLY 39 CO 0.00 0.48 -1.13 -0.37 0.00 0.00 0.00 176.54 175.52 2k8s n THR 40 N -4.40 0.00 -0.92 4.70 5.66 -1.11 -4.56 114.28 113.64 2k8s n THR 40 Ca 0.12 -0.25 -0.13 0.00 -3.05 0.00 0.00 64.05 60.74 2k8s n THR 40 Cb 0.04 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 2k8s n THR 40 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2k8s n ASP 41 N -1.65 5.94 0.29 1.09 2.03 -0.31 -4.57 116.55 119.37 2k8s n ASP 41 Ca -0.00 -2.81 0.13 0.00 0.52 0.00 0.00 54.79 52.63 2k8s n ASP 41 Cb 0.25 -1.18 0.85 0.00 -0.72 0.00 0.00 41.12 40.31 2k8s n ASP 41 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2k8s h LYS 42 N 1.92 0.00 0.00 -0.67 3.64 -1.80 -0.30 116.57 119.36 2k8s h LYS 42 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2k8s h LYS 42 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2k8s h LYS 42 CO 0.48 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.66 2k8s h ALA 43 N 2.00 1.00 -0.64 5.00 0.00 -1.92 -1.42 119.26 123.29 2k8s h ALA 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k8s h ALA 43 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k8s h ALA 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 2k8s n ARG 44 N -3.00 3.84 0.19 0.00 0.63 -0.12 -4.31 116.66 113.89 2k8s n ARG 44 Ca -0.01 -2.92 0.13 0.00 -0.92 0.00 0.00 57.85 54.13 2k8s n ARG 44 Cb 0.21 -1.93 0.71 0.00 0.45 0.00 0.00 32.46 31.90 2k8s n ARG 44 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2k8s h ILE 45 N 4.05 0.81 -0.22 5.15 2.10 -1.35 -0.44 117.51 127.60 2k8s h ILE 45 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.89 2k8s h ILE 45 Cb 1.50 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 38.13 2k8s h ILE 45 CO 0.26 0.00 -0.08 0.00 -1.08 0.00 0.00 178.15 177.25 2k8s h ALA 46 N 1.90 1.45 -0.01 0.18 0.00 -1.82 -1.99 119.26 118.98 2k8s h ALA 46 Ca 0.07 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2k8s h ALA 46 Cb 0.32 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k8s h ALA 46 CO -0.00 0.38 -0.94 1.49 0.00 0.00 0.00 179.25 180.18 2k8s h GLU 47 N 0.34 0.50 -1.00 0.00 4.81 -1.41 -3.10 114.58 114.71 2k8s h GLU 47 Ca 0.07 -0.52 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 2k8s h GLU 47 Cb 0.35 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 2k8s h GLU 47 CO 0.02 1.15 0.65 0.00 -0.73 0.00 0.00 179.01 180.11 2k8s h ALA 48 N 0.67 1.33 -0.77 2.92 0.00 -1.07 0.24 119.26 122.57 2k8s h ALA 48 Ca -0.09 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2k8s h ALA 48 Cb 1.57 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2k8s h ALA 48 CO 0.17 0.54 0.51 0.93 0.00 0.00 0.00 179.25 181.40 2k8s h GLU 49 N 1.26 0.92 0.00 0.00 4.39 -1.33 0.14 114.58 119.96 2k8s h GLU 49 Ca 0.40 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.93 2k8s h GLU 49 Cb 0.01 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2k8s h GLU 49 CO -0.13 0.61 -1.04 0.87 -1.16 0.00 0.00 179.01 178.16 2k8s h LYS 50 N 0.95 0.00 0.03 2.33 1.57 -1.13 -3.26 116.57 117.07 2k8s h LYS 50 Ca 0.31 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.87 2k8s h LYS 50 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2k8s h LYS 50 CO -0.09 0.28 -1.03 0.00 -0.57 0.00 0.00 179.45 178.04 2k8s h ALA 51 N 1.56 0.33 0.00 3.86 0.00 -0.26 -3.48 119.26 121.28 2k8s h ALA 51 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2k8s h ALA 51 Cb 1.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k8s h ALA 51 CO 0.04 1.12 0.00 0.41 0.00 0.00 0.00 179.25 180.82 2k8s n GLY 52 N 1.29 1.92 3.49 0.00 0.00 0.23 -4.58 105.19 107.54 2k8s n GLY 52 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2k8s n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k8s s VAL 53 N -2.00 4.41 -0.06 1.61 1.01 0.23 -4.83 120.40 120.76 2k8s s VAL 53 Ca 0.00 0.01 0.22 0.00 0.00 0.00 0.00 61.98 62.21 2k8s s VAL 53 Cb 0.00 -4.56 -0.34 0.00 0.00 0.00 0.00 36.38 31.48 2k8s s VAL 53 CO 0.00 -1.20 0.49 0.29 0.00 0.00 0.00 175.10 174.69 2k8s n LYS 54 N 7.43 0.64 -3.94 2.72 5.02 -1.26 -4.62 118.16 124.15 2k8s n LYS 54 Ca -0.01 -0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 55.99 2k8s n LYS 54 Cb 0.47 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 2k8s n LYS 54 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2k8s s SER 55 N -4.48 -0.04 0.06 4.39 0.01 -1.26 -1.10 113.70 111.27 2k8s s SER 55 Ca -0.07 -0.84 0.06 0.00 1.31 0.00 0.00 55.95 56.41 2k8s s SER 55 Cb 0.14 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.84 2k8s s SER 55 CO 0.91 -0.98 -0.16 0.68 0.41 0.00 0.00 173.24 174.10 2k8s s VAL 56 N -3.97 1.27 0.53 3.43 -7.23 0.55 -3.97 120.40 111.02 2k8s s VAL 56 Ca 0.18 -1.18 -0.17 0.00 -1.81 0.00 0.00 61.98 59.00 2k8s s VAL 56 Cb 0.02 -1.16 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 2k8s s VAL 56 CO 0.02 -0.03 1.01 -2.16 -0.31 0.00 0.00 175.10 173.63 2k8s s PRO 57 N -1.40 3.76 -0.05 4.82 0.04 -1.26 -2.39 135.00 138.52 2k8s s PRO 57 Ca 0.02 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2k8s s PRO 57 Cb -0.09 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2k8s s PRO 57 CO 0.02 -0.43 -0.07 0.00 0.04 0.00 0.00 177.00 176.56 2k8s s ALA 58 N -2.51 0.86 -0.43 8.56 0.00 0.14 -0.23 121.76 128.14 2k8s s ALA 58 Ca 0.61 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 2k8s s ALA 58 Cb -0.12 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.58 2k8s s ALA 58 CO 0.31 0.02 0.32 -1.17 0.00 0.00 0.00 175.76 175.25 2k8s s LEU 59 N 0.84 5.29 -0.58 0.00 2.96 0.14 -0.76 118.68 126.56 2k8s s LEU 59 Ca -0.12 -1.19 -0.17 0.00 -0.22 0.00 0.00 54.13 52.44 2k8s s LEU 59 Cb -0.15 -2.13 0.13 0.00 0.50 0.00 0.00 46.19 44.55 2k8s s LEU 59 CO 0.01 -0.54 0.58 -0.69 -1.32 0.00 0.00 176.35 174.39 2k8s s VAL 60 N 1.61 5.15 -0.36 1.68 1.01 0.18 0.07 120.40 129.74 2k8s s VAL 60 Ca 0.04 -1.47 -0.18 0.00 0.00 0.00 0.00 61.98 60.37 2k8s s VAL 60 Cb -0.22 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.77 2k8s s VAL 60 CO 0.07 -0.95 0.49 -0.63 0.00 0.00 0.00 175.10 174.08 2k8s s ILE 61 N 1.73 5.03 0.00 2.22 1.01 -0.01 0.05 121.20 131.24 2k8s s ILE 61 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2k8s s ILE 61 Cb -0.27 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2k8s s ILE 61 CO 0.03 -0.25 0.00 -0.67 0.00 0.00 0.00 174.94 174.04 2k8s n ASP 62 N 5.71 0.00 0.00 3.58 2.03 0.74 -1.75 116.55 126.87 2k8s n ASP 62 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2k8s n ASP 62 Cb 0.49 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2k8s n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8s n GLY 63 N -0.37 0.12 3.76 0.27 0.00 -1.26 -4.97 105.19 102.74 2k8s n GLY 63 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2k8s n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s s ALA 64 N 0.00 3.49 -0.34 4.61 0.00 -0.71 -4.93 121.76 123.88 2k8s s ALA 64 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 2k8s s ALA 64 Cb 0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2k8s s ALA 64 CO 0.00 0.13 0.35 0.00 0.00 0.00 0.00 175.76 176.25 2k8s s ALA 65 N 0.01 3.50 -0.34 0.00 0.00 -1.26 -0.83 121.76 122.84 2k8s s ALA 65 Ca 0.29 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2k8s s ALA 65 Cb -0.17 -2.81 0.08 0.00 0.00 0.00 0.00 23.12 20.22 2k8s s ALA 65 CO 0.15 -1.05 0.07 -0.06 0.00 0.00 0.00 175.76 174.87 2k8s s PHE 66 N 2.00 3.44 0.42 0.00 0.08 0.11 -4.94 117.98 119.09 2k8s s PHE 66 Ca 0.11 -2.23 -0.24 0.00 0.12 0.00 0.00 56.93 54.70 2k8s s PHE 66 Cb -0.17 -2.60 -0.08 0.00 -0.57 0.00 0.00 43.02 39.60 2k8s s PHE 66 CO 0.12 -0.88 1.12 -1.01 -0.10 0.00 0.00 175.22 174.46 2k8s s HIS 67 N 1.16 3.07 -0.42 0.36 3.76 -1.26 0.25 115.29 122.22 2k8s s HIS 67 Ca 0.01 1.58 -0.07 0.00 -0.15 0.00 0.00 55.06 56.44 2k8s s HIS 67 Cb -0.21 -3.29 0.09 0.00 1.11 0.00 0.00 32.58 30.29 2k8s s HIS 67 CO -0.03 -1.13 0.24 0.42 -0.85 0.00 0.00 174.74 173.39 2k8s s ILE 68 N -1.55 3.85 0.00 0.60 -1.09 0.69 -4.85 121.20 118.86 2k8s s ILE 68 Ca 0.60 -1.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 2k8s s ILE 68 Cb -0.27 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2k8s s ILE 68 CO 0.33 -0.59 0.00 0.59 -1.23 0.00 0.00 174.94 174.04 2k8s n ASN 69 N 4.80 -3.38 -3.60 3.58 3.02 -1.26 -3.99 115.26 114.42 2k8s n ASN 69 Ca -0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.18 2k8s n ASN 69 Cb 0.42 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.45 2k8s n ASN 69 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k8s s PHE 70 N 0.00 1.19 -0.11 3.10 5.36 -1.26 -4.77 117.98 121.49 2k8s s PHE 70 Ca 0.00 -1.72 -0.07 0.00 -0.96 0.00 0.00 56.93 54.19 2k8s s PHE 70 Cb 0.00 -1.34 -0.02 0.00 -0.34 0.00 0.00 43.02 41.32 2k8s s PHE 70 CO 0.00 -0.83 -0.13 0.78 -1.46 0.00 0.00 175.22 173.58 2k8s h GLY 71 N 7.44 0.00 -5.28 13.12 0.00 -1.74 -3.49 103.07 113.12 2k8s h GLY 71 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 2k8s h GLY 71 CO 0.40 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 176.22 2k8s s ALA 72 N -2.78 0.12 0.08 3.60 0.00 -1.04 -5.02 121.76 116.72 2k8s s ALA 72 Ca -0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 2k8s s ALA 72 Cb 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2k8s s ALA 72 CO 0.16 -0.05 0.35 0.20 0.00 0.00 0.00 175.76 176.43 2k8s s GLY 73 N -0.62 2.28 0.49 0.00 0.00 -1.26 -0.33 107.32 107.87 2k8s s GLY 73 Ca -0.06 -0.51 0.24 0.00 0.00 0.00 0.00 44.72 44.39 2k8s s GLY 73 CO -0.00 -0.35 2.01 1.19 0.00 0.00 0.00 173.10 175.95 2k8s h ILE 74 N 2.58 0.73 -0.38 0.90 2.10 -1.42 -1.66 117.51 120.36 2k8s h ILE 74 Ca -0.48 -0.68 0.01 0.00 1.08 0.00 0.00 64.86 64.79 2k8s h ILE 74 Cb 1.18 1.42 -0.02 0.00 -1.09 0.00 0.00 36.82 38.31 2k8s h ILE 74 CO 0.69 0.16 0.25 0.44 -1.08 0.00 0.00 178.15 178.62 2k8s h ASP 75 N 0.00 0.43 0.15 2.19 5.19 -1.94 -2.10 116.42 120.35 2k8s h ASP 75 Ca -0.00 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.28 2k8s h ASP 75 Cb 0.40 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2k8s h ASP 75 CO 0.02 0.31 -0.42 -0.78 -3.12 0.00 0.00 179.24 175.25 2k8s h ASP 76 N 0.51 0.36 1.36 6.45 3.58 -1.68 -2.54 116.42 124.47 2k8s h ASP 76 Ca 0.14 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2k8s h ASP 76 Cb -0.05 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2k8s h ASP 76 CO -0.03 0.75 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.79 2k8s h LEU 77 N 0.28 0.00 -8.30 2.28 3.38 -1.44 -3.42 115.31 108.09 2k8s h LEU 77 Ca 0.02 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.49 2k8s h LEU 77 Cb 0.87 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2k8s h LEU 77 CO 0.07 0.22 1.19 -0.54 0.09 0.00 0.00 178.44 179.47 2k8s s LYS 78 N -3.35 3.07 0.69 1.13 1.02 -0.96 -4.84 119.74 116.50 2k8s s LYS 78 Ca 0.03 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2k8s s LYS 78 Cb 0.08 -4.70 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 2k8s s LYS 78 CO 0.66 -2.50 0.00 0.41 -0.92 0.00 0.00 175.35 173.00 2k8s n GLY 79 N 6.11 -2.08 0.00 -3.33 0.00 -1.26 -5.00 105.19 99.63 2k8s n GLY 79 Ca 0.21 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76