#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 -0.39 0.74 2.33 0.00 -1.26 -4.97 121.76 118.21 2k8s s ALA 2 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2k8s s ALA 2 Cb 0.00 0.91 0.04 0.00 0.00 0.00 0.00 23.12 24.06 2k8s s ALA 2 CO 0.00 -0.92 1.09 -1.12 0.00 0.00 0.00 175.76 174.80 2k8s s SER 3 N -3.06 5.02 -0.20 0.00 0.01 0.85 -4.81 113.70 111.50 2k8s s SER 3 Ca 0.19 1.33 -0.06 0.00 1.31 0.00 0.00 55.95 58.72 2k8s s SER 3 Cb -0.03 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 2k8s s SER 3 CO 0.12 -1.64 0.03 -0.75 0.41 0.00 0.00 173.24 171.42 2k8s s LYS 4 N -5.19 3.76 -0.30 12.44 2.20 -1.26 0.01 119.74 131.39 2k8s s LYS 4 Ca 0.59 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2k8s s LYS 4 Cb -0.13 -3.16 0.10 0.00 -1.51 0.00 0.00 37.83 33.12 2k8s s LYS 4 CO 0.54 0.08 0.10 0.00 -0.36 0.00 0.00 175.35 175.71 2k8s s ALA 5 N 0.85 1.34 -0.24 3.13 0.00 -0.52 -3.22 121.76 123.09 2k8s s ALA 5 Ca 0.02 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.30 2k8s s ALA 5 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2k8s s ALA 5 CO 0.02 -1.65 0.37 0.42 0.00 0.00 0.00 175.76 174.92 2k8s s ILE 6 N 1.72 5.20 -0.43 0.00 1.01 0.16 -0.34 121.20 128.52 2k8s s ILE 6 Ca 0.09 0.61 -0.09 0.00 0.00 0.00 0.00 60.65 61.26 2k8s s ILE 6 Cb -0.17 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.69 2k8s s ILE 6 CO -0.27 0.21 0.28 0.12 0.00 0.00 0.00 174.94 175.28 2k8s s PHE 7 N 1.66 3.37 -0.14 3.97 5.36 0.14 0.41 117.98 132.74 2k8s s PHE 7 Ca 0.16 -1.67 -0.15 0.00 -0.96 0.00 0.00 56.93 54.31 2k8s s PHE 7 Cb -0.15 -3.11 -0.04 0.00 -0.34 0.00 0.00 43.02 39.37 2k8s s PHE 7 CO 0.08 -0.89 0.36 0.71 -1.46 0.00 0.00 175.22 174.02 2k8s s TYR 8 N 1.39 3.48 0.14 10.12 1.51 0.06 0.23 117.35 134.28 2k8s s TYR 8 Ca 0.04 0.70 -0.24 0.00 -1.01 0.00 0.00 57.07 56.56 2k8s s TYR 8 Cb -0.24 -2.41 0.07 0.00 -0.11 0.00 0.00 41.96 39.27 2k8s s TYR 8 CO 0.01 0.22 0.61 -3.38 -1.11 0.00 0.00 175.55 171.90 2k8s s HIS 9 N 0.50 -0.54 -1.24 2.71 -3.43 -0.79 -0.54 115.29 111.97 2k8s s HIS 9 Ca 0.20 0.38 0.19 0.00 -0.80 0.00 0.00 55.06 55.02 2k8s s HIS 9 Cb -0.14 0.55 0.67 0.00 -1.43 0.00 0.00 32.58 32.23 2k8s s HIS 9 CO 0.06 -0.83 1.57 0.00 -2.00 0.00 0.00 174.74 173.55 2k8s n ALA 10 N -0.30 2.86 -0.87 -1.38 0.00 -1.26 0.22 120.51 119.78 2k8s n ALA 10 Ca -0.17 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.73 2k8s n ALA 10 Cb 0.64 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 1.11 0.52 3.76 0.00 0.00 -1.26 -3.80 105.19 105.52 2k8s n GLY 11 Ca 0.24 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 0.52 0.23 -0.43 0.00 0.11 -1.99 0.86 132.00 131.29 2k8s h PRO 13 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2k8s h PRO 13 Cb 1.27 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2k8s h PRO 13 CO 0.54 0.15 0.15 0.28 -0.21 0.00 0.00 178.00 178.92 2k8s h VAL 14 N 0.24 1.17 -0.43 3.15 2.07 -1.95 -1.98 116.25 118.52 2k8s h VAL 14 Ca 0.34 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 2k8s h VAL 14 Cb 0.53 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2k8s h VAL 14 CO -0.45 0.21 -0.16 0.00 0.02 0.00 0.00 177.57 177.20 2k8s h VAL 16 N 0.70 1.25 -0.52 0.00 2.07 -0.46 1.00 116.25 120.29 2k8s h VAL 16 Ca 0.10 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2k8s h VAL 16 Cb 0.71 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2k8s h VAL 16 CO 0.05 0.25 0.32 0.28 0.02 0.00 0.00 177.57 178.49 2k8s h SER 17 N 1.28 0.61 -0.21 0.57 0.02 -1.19 0.10 113.55 114.74 2k8s h SER 17 Ca 0.34 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 61.08 2k8s h SER 17 Cb -0.12 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 2k8s h SER 17 CO -0.07 0.48 -0.48 0.00 -1.14 0.00 0.00 176.83 175.62 2k8s h ALA 18 N 1.16 0.61 0.07 3.77 0.00 -1.04 -2.03 119.26 121.79 2k8s h ALA 18 Ca 0.19 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k8s h ALA 18 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k8s h ALA 18 CO -0.04 0.68 -0.03 1.49 0.00 0.00 0.00 179.25 181.35 2k8s h GLU 19 N 0.62 -0.09 -0.54 0.00 4.81 -0.60 0.14 114.58 118.92 2k8s h GLU 19 Ca 0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2k8s h GLU 19 Cb 1.05 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2k8s h GLU 19 CO 0.10 0.18 0.17 0.37 -0.73 0.00 0.00 179.01 179.10 2k8s h GLN 20 N -0.35 0.80 0.00 1.92 4.15 -0.80 -2.19 115.11 118.63 2k8s h GLN 20 Ca -0.01 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2k8s h GLN 20 Cb 0.31 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2k8s h GLN 20 CO 0.02 0.69 -0.08 0.00 -1.93 0.00 0.00 178.83 177.52 2k8s n ALA 21 N -2.46 0.07 -0.00 3.38 0.00 -0.77 -4.23 120.51 116.51 2k8s n ALA 21 Ca 0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2k8s n ALA 21 Cb 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.13 1.32 0.00 0.00 2.07 -0.93 -1.08 116.25 117.51 2k8s h VAL 22 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2k8s h VAL 22 Cb 0.08 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2k8s h VAL 22 CO 0.00 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.87 2k8s h ALA 23 N 0.43 1.00 0.00 1.67 0.00 -0.99 -0.84 119.26 120.53 2k8s h ALA 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k8s h ALA 23 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k8s h ALA 23 CO 0.01 0.00 -1.19 0.09 0.00 0.00 0.00 179.25 178.15 2k8s n ASN 24 N -3.06 0.58 0.19 0.00 5.03 -0.85 -3.90 115.26 113.26 2k8s n ASN 24 Ca -0.00 0.01 0.09 0.00 0.87 0.00 0.00 54.58 55.55 2k8s n ASN 24 Cb 0.25 0.89 0.12 0.00 -1.02 0.00 0.00 39.78 40.02 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k8s h ALA 25 N 2.27 0.88 -2.39 5.41 0.00 0.18 -3.44 119.26 122.17 2k8s h ALA 25 Ca 0.00 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.21 2k8s h ALA 25 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k8s h ALA 25 CO 0.00 0.21 0.40 0.42 0.00 0.00 0.00 179.25 180.28 2k8s s ILE 26 N -3.13 4.84 -0.03 0.00 1.01 -0.82 -5.03 121.20 118.03 2k8s s ILE 26 Ca 0.06 2.04 -0.20 0.00 0.00 0.00 0.00 60.65 62.55 2k8s s ILE 26 Cb 0.06 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2k8s s ILE 26 CO 0.70 0.14 0.57 1.51 0.00 0.00 0.00 174.94 177.86 2k8s s ASP 27 N 1.02 6.91 0.00 3.58 -4.77 -1.26 -4.94 116.67 117.21 2k8s s ASP 27 Ca 0.52 1.09 0.10 0.00 -3.30 0.00 0.00 52.55 50.95 2k8s s ASP 27 Cb -0.21 -2.35 0.49 0.00 -1.09 0.00 0.00 42.92 39.77 2k8s s ASP 27 CO 0.27 0.08 1.17 -2.65 0.70 0.00 0.00 175.17 174.73 2k8s n PRO 28 N 2.94 0.16 -0.03 2.11 -0.02 -1.21 -1.32 135.00 137.62 2k8s n PRO 28 Ca -0.07 0.17 -0.14 0.00 -2.02 0.00 0.00 63.50 61.44 2k8s n PRO 28 Cb 0.51 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 2k8s n PRO 28 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k8s h SER 29 N 0.00 0.21 0.09 2.55 0.02 -1.98 -3.37 113.55 111.06 2k8s h SER 29 Ca 0.00 -0.63 -0.31 0.00 -0.84 0.00 0.00 61.79 60.01 2k8s h SER 29 Cb 0.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2k8s h SER 29 CO 0.00 0.80 -1.64 0.11 -1.14 0.00 0.00 176.83 174.96 2k8s h LYS 30 N -0.38 0.18 -4.56 3.45 1.57 -1.87 -3.43 116.57 111.53 2k8s h LYS 30 Ca -0.01 -0.31 -0.57 0.00 -1.87 0.00 0.00 60.65 57.89 2k8s h LYS 30 Cb 0.79 0.12 -0.36 0.00 0.08 0.00 0.00 32.23 32.86 2k8s h LYS 30 CO 0.03 1.15 -0.82 0.71 -0.57 0.00 0.00 179.45 179.95 2k8s s TYR 31 N -2.48 1.87 -0.58 -1.35 1.51 -0.43 -0.11 117.35 115.78 2k8s s TYR 31 Ca -0.24 -0.95 -0.28 0.00 -1.01 0.00 0.00 57.07 54.60 2k8s s TYR 31 Cb 0.06 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2k8s s TYR 31 CO 0.72 -0.54 1.18 0.99 -1.11 0.00 0.00 175.55 176.79 2k8s s THR 32 N 1.32 4.03 -0.54 -0.71 2.01 0.10 -3.35 115.64 118.51 2k8s s THR 32 Ca -0.00 0.88 -0.28 0.00 0.31 0.00 0.00 61.69 62.60 2k8s s THR 32 Cb -0.14 -4.72 0.03 0.00 0.01 0.00 0.00 72.50 67.69 2k8s s THR 32 CO -0.06 -1.33 1.14 -0.69 -0.69 0.00 0.00 174.62 172.99 2k8s s VAL 33 N 4.91 4.13 -0.62 3.82 1.01 -1.25 -1.44 120.40 130.95 2k8s s VAL 33 Ca 0.42 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 2k8s s VAL 33 Cb -0.08 -4.66 0.16 0.00 0.00 0.00 0.00 36.38 31.80 2k8s s VAL 33 CO 0.25 -1.20 0.52 -1.61 0.00 0.00 0.00 175.10 173.06 2k8s s GLU 34 N 4.66 2.95 -0.07 2.72 2.02 0.53 -4.94 118.70 126.57 2k8s s GLU 34 Ca 0.43 -2.09 -0.27 0.00 0.02 0.00 0.00 54.97 53.05 2k8s s GLU 34 Cb -0.08 -4.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.00 2k8s s GLU 34 CO 0.27 -1.25 0.89 0.42 0.02 0.00 0.00 175.26 175.61 2k8s s ILE 35 N 0.81 4.89 -0.23 -1.63 1.01 -1.26 0.24 121.20 125.04 2k8s s ILE 35 Ca 0.11 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.61 2k8s s ILE 35 Cb -0.21 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.08 2k8s s ILE 35 CO -0.03 0.12 -0.14 -0.69 0.00 0.00 0.00 174.94 174.20 2k8s s VAL 36 N 1.41 2.15 -0.25 2.92 1.01 0.13 -4.90 120.40 122.87 2k8s s VAL 36 Ca 0.45 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2k8s s VAL 36 Cb -0.19 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2k8s s VAL 36 CO 0.20 0.18 0.89 -2.28 0.00 0.00 0.00 175.10 174.09 2k8s s HIS 37 N 1.17 3.29 -1.77 5.22 2.46 -1.26 -1.88 115.29 122.53 2k8s s HIS 37 Ca -0.04 1.17 0.21 0.00 0.47 0.00 0.00 55.06 56.87 2k8s s HIS 37 Cb -0.17 -3.17 0.62 0.00 -0.13 0.00 0.00 32.58 29.72 2k8s s HIS 37 CO -0.08 -0.47 1.52 1.28 -2.47 0.00 0.00 174.74 174.52 2k8s n LEU 38 N 6.17 3.91 -1.72 8.88 4.77 0.13 -4.25 117.00 134.90 2k8s n LEU 38 Ca 0.07 -2.04 -0.06 0.00 -0.03 0.00 0.00 56.01 53.95 2k8s n LEU 38 Cb 0.47 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 2k8s n LEU 38 CO 0.50 0.95 0.89 0.61 -1.33 0.00 0.00 177.39 179.01 2k8s n GLY 39 N 1.47 3.21 2.03 -0.72 0.00 -1.25 -4.39 105.19 105.55 2k8s n GLY 39 Ca 0.23 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2k8s n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8s n THR 40 N -0.13 0.00 -2.79 2.61 -1.04 -1.26 -5.01 114.28 106.67 2k8s n THR 40 Ca 0.32 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.90 2k8s n THR 40 Cb 1.16 -0.06 -0.04 0.00 -1.82 0.00 0.00 70.33 69.57 2k8s n THR 40 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k8s s ASP 41 N -2.35 6.46 0.00 8.00 -1.08 -1.26 -4.87 116.67 121.57 2k8s s ASP 41 Ca 0.00 0.01 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 2k8s s ASP 41 Cb 0.00 -2.46 0.90 0.00 -1.46 0.00 0.00 42.92 39.90 2k8s s ASP 41 CO 0.00 -1.15 1.66 0.29 0.52 0.00 0.00 175.17 176.48 2k8s n LYS 42 N 7.42 0.89 0.03 4.34 5.02 -1.26 -3.65 118.16 130.94 2k8s n LYS 42 Ca 0.06 -0.48 -0.08 0.00 -2.02 0.00 0.00 58.31 55.79 2k8s n LYS 42 Cb 0.48 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 2k8s n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k8s h ALA 43 N 3.74 0.51 0.00 7.82 0.00 -1.98 -3.25 119.26 126.10 2k8s h ALA 43 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2k8s h ALA 43 Cb 0.47 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k8s h ALA 43 CO 0.00 1.38 0.00 0.54 0.00 0.00 0.00 179.25 181.17 2k8s n ARG 44 N -3.23 0.09 -0.34 0.00 1.74 -1.24 -2.89 116.66 110.79 2k8s n ARG 44 Ca -0.07 0.22 -0.02 0.00 -0.77 0.00 0.00 57.85 57.21 2k8s n ARG 44 Cb 0.99 -1.64 0.13 0.00 -1.02 0.00 0.00 32.46 30.92 2k8s n ARG 44 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2k8s h ILE 45 N 0.00 1.25 0.00 0.55 2.04 -1.72 -0.11 117.51 119.52 2k8s h ILE 45 Ca 0.00 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2k8s h ILE 45 Cb 0.42 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2k8s h ILE 45 CO 0.00 0.25 -0.19 0.00 0.00 0.00 0.00 178.15 178.21 2k8s h ALA 46 N 1.37 1.61 -0.11 1.87 0.00 -1.74 -2.06 119.26 120.20 2k8s h ALA 46 Ca 0.34 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2k8s h ALA 46 Cb -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k8s h ALA 46 CO -0.07 0.24 -0.53 1.49 0.00 0.00 0.00 179.25 180.38 2k8s h GLU 47 N 0.00 0.56 -0.74 0.00 4.81 -1.34 -3.29 114.58 114.59 2k8s h GLU 47 Ca -0.00 -0.45 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 2k8s h GLU 47 Cb 0.35 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2k8s h GLU 47 CO 0.02 1.07 0.45 0.00 -0.73 0.00 0.00 179.01 179.83 2k8s h ALA 48 N 0.49 0.98 -0.69 2.92 0.00 -0.42 -0.28 119.26 122.26 2k8s h ALA 48 Ca -0.03 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2k8s h ALA 48 Cb 1.17 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2k8s h ALA 48 CO 0.11 0.20 0.22 0.93 0.00 0.00 0.00 179.25 180.71 2k8s h GLU 49 N 0.86 0.34 0.00 0.00 5.08 -1.47 0.62 114.58 120.01 2k8s h GLU 49 Ca 0.31 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2k8s h GLU 49 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2k8s h GLU 49 CO -0.14 0.22 -0.98 0.87 -1.00 0.00 0.00 179.01 177.98 2k8s h LYS 50 N 0.35 0.00 0.00 2.33 1.57 -1.47 -3.14 116.57 116.21 2k8s h LYS 50 Ca 0.38 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2k8s h LYS 50 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2k8s h LYS 50 CO -0.42 0.43 -0.16 0.00 -0.57 0.00 0.00 179.45 178.72 2k8s h ALA 51 N 1.43 1.08 0.00 3.86 0.00 -0.47 -3.46 119.26 121.70 2k8s h ALA 51 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k8s h ALA 51 Cb 1.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2k8s h ALA 51 CO 0.06 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2k8s n GLY 52 N -0.09 1.04 3.54 0.00 0.00 -0.77 -4.63 105.19 104.28 2k8s n GLY 52 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.96 -0.98 1.61 1.01 0.14 -4.65 120.40 119.49 2k8s s VAL 53 Ca 0.00 0.39 0.12 0.00 0.00 0.00 0.00 61.98 62.49 2k8s s VAL 53 Cb 0.00 -4.79 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 2k8s s VAL 53 CO 0.00 -1.59 0.66 0.29 0.00 0.00 0.00 175.10 174.46 2k8s n LYS 54 N 8.67 2.22 -3.92 2.72 5.02 -1.26 -4.09 118.16 127.52 2k8s n LYS 54 Ca 0.03 -0.53 -0.09 0.00 -2.02 0.00 0.00 58.31 55.70 2k8s n LYS 54 Cb 0.48 -1.12 -0.05 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.66 -0.11 0.00 4.39 0.01 -1.26 -0.40 113.70 114.68 2k8s s SER 55 Ca 0.09 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.60 2k8s s SER 55 Cb 0.09 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 2k8s s SER 55 CO 0.34 -1.06 -0.15 0.68 0.41 0.00 0.00 173.24 173.46 2k8s s VAL 56 N -3.97 1.15 0.32 3.43 -7.23 0.15 -3.75 120.40 110.50 2k8s s VAL 56 Ca 0.17 -0.74 -0.17 0.00 -1.81 0.00 0.00 61.98 59.44 2k8s s VAL 56 Cb 0.00 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 2k8s s VAL 56 CO 0.04 0.24 0.76 -2.16 -0.31 0.00 0.00 175.10 173.66 2k8s s PRO 57 N -0.58 4.09 -0.11 4.82 0.04 -1.26 -2.60 135.00 139.40 2k8s s PRO 57 Ca 0.05 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.88 2k8s s PRO 57 Cb -0.06 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.99 2k8s s PRO 57 CO 0.00 0.18 -0.18 0.00 0.04 0.00 0.00 177.00 177.05 2k8s s ALA 58 N -1.91 1.83 -0.51 8.56 0.00 0.30 -1.53 121.76 128.50 2k8s s ALA 58 Ca 0.53 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 2k8s s ALA 58 Cb -0.11 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.29 2k8s s ALA 58 CO 0.18 0.03 0.46 -1.17 0.00 0.00 0.00 175.76 175.25 2k8s s LEU 59 N 0.79 5.99 -0.63 0.00 2.96 0.62 -0.76 118.68 127.65 2k8s s LEU 59 Ca -0.10 -1.68 -0.25 0.00 -0.22 0.00 0.00 54.13 51.88 2k8s s LEU 59 Cb -0.16 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.39 2k8s s LEU 59 CO 0.01 -0.79 1.07 -0.69 -1.32 0.00 0.00 176.35 174.64 2k8s s VAL 60 N 1.59 4.14 -0.27 1.68 1.01 0.17 0.06 120.40 128.78 2k8s s VAL 60 Ca 0.03 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 2k8s s VAL 60 Cb -0.28 -4.70 0.01 0.00 0.00 0.00 0.00 36.38 31.40 2k8s s VAL 60 CO 0.04 -1.43 0.02 -0.63 0.00 0.00 0.00 175.10 173.09 2k8s s ILE 61 N 4.59 3.55 -1.87 2.22 1.01 0.71 -0.66 121.20 130.75 2k8s s ILE 61 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2k8s s ILE 61 Cb -0.12 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.57 2k8s s ILE 61 CO 0.17 0.18 0.00 0.47 0.00 0.00 0.00 174.94 175.75 2k8s n ASP 62 N 4.80 -5.53 0.00 3.58 8.00 -1.20 -1.22 116.55 124.99 2k8s n ASP 62 Ca -0.16 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2k8s n ASP 62 Cb 0.48 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 2k8s n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k8s n GLY 63 N -0.81 3.46 3.58 0.44 0.00 -1.26 -5.03 105.19 105.56 2k8s n GLY 63 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.92 3.35 -0.60 4.61 0.00 -0.35 -4.74 121.76 121.11 2k8s s ALA 64 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 2k8s s ALA 64 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.68 2k8s s ALA 64 CO 0.00 -1.74 0.97 0.00 0.00 0.00 0.00 175.76 174.99 2k8s s ALA 65 N 3.38 3.12 -0.58 0.00 0.00 -1.26 -0.21 121.76 126.21 2k8s s ALA 65 Ca 0.34 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 2k8s s ALA 65 Cb -0.12 -3.81 0.04 0.00 0.00 0.00 0.00 23.12 19.23 2k8s s ALA 65 CO 0.21 -2.58 1.02 -0.06 0.00 0.00 0.00 175.76 174.35 2k8s s PHE 66 N 4.11 2.71 -0.83 0.00 0.08 0.11 -4.76 117.98 119.40 2k8s s PHE 66 Ca 0.28 0.03 -0.25 0.00 0.12 0.00 0.00 56.93 57.11 2k8s s PHE 66 Cb -0.14 -4.23 0.02 0.00 -0.57 0.00 0.00 43.02 38.10 2k8s s PHE 66 CO 0.16 -1.48 1.52 -1.01 -0.10 0.00 0.00 175.22 174.31 2k8s s HIS 67 N 4.31 2.19 -0.42 0.36 3.76 -1.26 -0.28 115.29 123.95 2k8s s HIS 67 Ca 0.33 -0.08 -0.23 0.00 -0.15 0.00 0.00 55.06 54.93 2k8s s HIS 67 Cb -0.11 -4.48 0.02 0.00 1.11 0.00 0.00 32.58 29.11 2k8s s HIS 67 CO 0.19 -2.02 0.78 0.42 -0.85 0.00 0.00 174.74 173.26 2k8s s ILE 68 N 6.64 4.68 -0.09 0.60 1.01 -0.58 -4.58 121.20 128.88 2k8s s ILE 68 Ca 0.49 0.58 -0.06 0.00 0.00 0.00 0.00 60.65 61.65 2k8s s ILE 68 Cb -0.06 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.15 2k8s s ILE 68 CO 0.06 -0.62 0.13 0.59 0.00 0.00 0.00 174.94 175.09 2k8s n ASN 69 N 6.61 -2.64 -4.56 3.58 4.13 -1.26 -4.21 115.26 116.92 2k8s n ASN 69 Ca 0.02 1.05 -0.40 0.00 1.68 0.00 0.00 54.58 56.93 2k8s n ASN 69 Cb 0.48 -3.98 -0.03 0.00 -1.54 0.00 0.00 39.78 34.72 2k8s n ASN 69 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2k8s s PHE 70 N -0.45 1.83 -0.21 3.10 5.36 -1.26 -4.07 117.98 122.27 2k8s s PHE 70 Ca -0.15 0.64 -0.16 0.00 -0.96 0.00 0.00 56.93 56.30 2k8s s PHE 70 Cb 0.01 -4.19 -0.09 0.00 -0.34 0.00 0.00 43.02 38.41 2k8s s PHE 70 CO 0.40 -2.30 -0.27 0.41 -1.46 0.00 0.00 175.22 172.00 2k8s n GLY 71 N 5.58 -0.60 3.04 13.12 0.00 -1.11 -5.04 105.19 120.18 2k8s n GLY 71 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2k8s n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s s ALA 72 N -2.69 0.36 0.47 4.61 0.00 -1.07 -5.03 121.76 118.41 2k8s s ALA 72 Ca -0.31 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2k8s s ALA 72 Cb 0.08 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.41 2k8s s ALA 72 CO 0.44 -0.23 0.64 0.20 0.00 0.00 0.00 175.76 176.81 2k8s s GLY 73 N -2.12 1.89 0.46 0.00 0.00 -1.26 0.30 107.32 106.59 2k8s s GLY 73 Ca -0.05 -1.72 0.24 0.00 0.00 0.00 0.00 44.72 43.19 2k8s s GLY 73 CO -0.04 -1.47 1.89 1.19 0.00 0.00 0.00 173.10 174.66 2k8s h ILE 74 N 0.47 0.60 -0.05 0.90 2.10 -1.03 -1.63 117.51 118.87 2k8s h ILE 74 Ca -0.38 -1.00 -0.08 0.00 1.08 0.00 0.00 64.86 64.48 2k8s h ILE 74 Cb 1.28 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 38.66 2k8s h ILE 74 CO 0.45 0.21 -0.33 0.44 -1.08 0.00 0.00 178.15 177.84 2k8s h ASP 75 N 0.00 0.09 0.93 2.19 3.32 -1.90 -0.27 116.42 120.78 2k8s h ASP 75 Ca -0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2k8s h ASP 75 Cb 0.65 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2k8s h ASP 75 CO 0.03 0.42 -0.18 0.44 -1.72 0.00 0.00 179.24 178.23 2k8s h ASP 76 N 0.08 0.00 0.74 6.45 3.32 -1.67 -2.11 116.42 123.22 2k8s h ASP 76 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2k8s h ASP 76 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2k8s h ASP 76 CO 0.05 0.18 -1.16 0.18 -1.72 0.00 0.00 179.24 176.76 2k8s n LEU 77 N -3.34 0.66 -4.44 1.55 4.77 -0.84 -4.70 117.00 110.65 2k8s n LEU 77 Ca 0.00 0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 2k8s n LEU 77 Cb 0.40 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2k8s n LEU 77 CO 0.32 -0.12 0.97 -0.75 -1.33 0.00 0.00 177.39 176.49 2k8s s LYS 78 N -3.36 3.67 0.00 3.23 2.47 -0.17 -4.87 119.74 120.72 2k8s s LYS 78 Ca -0.01 -1.96 0.00 0.00 -1.56 0.00 0.00 55.97 52.44 2k8s s LYS 78 Cb 0.11 -4.88 0.00 0.00 -1.46 0.00 0.00 37.83 31.60 2k8s s LYS 78 CO 0.81 -1.71 0.08 0.41 0.16 0.00 0.00 175.35 175.09 2k8s n GLY 79 N 5.12 0.27 0.00 5.54 0.00 -1.26 -4.87 105.19 109.99 2k8s n GLY 79 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76