#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 3.72 0.66 3.52 0.00 -1.26 -4.88 121.76 123.52 2k8s s ALA 2 Ca 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 51.96 48.78 2k8s s ALA 2 Cb 0.00 -4.28 0.08 0.00 0.00 0.00 0.00 23.12 18.91 2k8s s ALA 2 CO 0.00 -2.96 0.49 0.43 0.00 0.00 0.00 175.76 173.72 2k8s n SER 3 N 6.59 0.48 -4.44 0.00 7.64 -1.26 -4.91 113.62 117.72 2k8s n SER 3 Ca 0.39 -1.45 -0.22 0.00 1.01 0.00 0.00 58.87 58.61 2k8s n SER 3 Cb 0.44 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 2k8s n SER 3 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2k8s s LYS 4 N -3.80 1.57 -0.18 1.43 -2.85 -1.26 -1.91 119.74 112.74 2k8s s LYS 4 Ca 0.31 -1.80 -0.01 0.00 -1.00 0.00 0.00 55.97 53.47 2k8s s LYS 4 Cb -0.02 -1.18 0.05 0.00 -2.06 0.00 0.00 37.83 34.63 2k8s s LYS 4 CO 0.21 0.03 -0.02 0.00 0.10 0.00 0.00 175.35 175.67 2k8s s ALA 5 N -3.00 1.38 -0.27 0.59 0.00 0.89 -1.28 121.76 120.07 2k8s s ALA 5 Ca 0.30 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 2k8s s ALA 5 Cb 0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2k8s s ALA 5 CO 0.12 -0.93 0.37 0.42 0.00 0.00 0.00 175.76 175.73 2k8s s ILE 6 N 1.68 5.18 -0.48 0.00 1.01 0.53 -0.15 121.20 128.97 2k8s s ILE 6 Ca -0.01 0.54 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 2k8s s ILE 6 Cb -0.16 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.71 2k8s s ILE 6 CO -0.07 0.15 0.39 0.12 0.00 0.00 0.00 174.94 175.53 2k8s s PHE 7 N 2.06 3.29 -0.19 3.97 5.36 0.15 0.34 117.98 132.96 2k8s s PHE 7 Ca 0.15 -1.28 -0.15 0.00 -0.96 0.00 0.00 56.93 54.69 2k8s s PHE 7 Cb -0.16 -3.34 -0.04 0.00 -0.34 0.00 0.00 43.02 39.14 2k8s s PHE 7 CO 0.10 -0.90 0.37 0.71 -1.46 0.00 0.00 175.22 174.04 2k8s s TYR 8 N 1.55 3.40 0.37 10.12 2.02 0.38 -0.63 117.35 134.56 2k8s s TYR 8 Ca 0.04 0.62 -0.08 0.00 -0.37 0.00 0.00 57.07 57.27 2k8s s TYR 8 Cb -0.26 -2.47 0.03 0.00 -0.40 0.00 0.00 41.96 38.86 2k8s s TYR 8 CO 0.04 0.07 0.63 -2.39 -1.57 0.00 0.00 175.55 172.32 2k8s n HIS 9 N 4.18 -1.89 -1.06 2.71 1.44 -0.74 -0.38 115.22 119.49 2k8s n HIS 9 Ca -0.09 -2.07 0.08 0.00 -2.01 0.00 0.00 57.72 53.62 2k8s n HIS 9 Cb 0.51 0.72 0.11 0.00 0.12 0.00 0.00 29.99 31.45 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 -0.68 2.18 -1.31 1.59 0.00 -1.26 -0.12 120.51 120.90 2k8s n ALA 10 Ca -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.07 2k8s n ALA 10 Cb 0.58 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.14 0.62 3.54 0.00 0.00 -1.26 -4.62 105.19 102.33 2k8s n GLY 11 Ca 0.12 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 4.20 0.68 -0.81 0.00 0.13 -1.99 -0.13 132.00 134.09 2k8s h PRO 13 Ca -0.48 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2k8s h PRO 13 Cb 1.16 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 2k8s h PRO 13 CO 0.51 0.45 0.46 0.28 -0.23 0.00 0.00 178.00 179.47 2k8s h VAL 14 N 0.70 1.23 -0.25 1.56 2.07 -1.99 -0.73 116.25 118.85 2k8s h VAL 14 Ca 0.31 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2k8s h VAL 14 Cb 0.30 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2k8s h VAL 14 CO -0.10 0.26 -0.05 0.00 0.02 0.00 0.00 177.57 177.70 2k8s h VAL 16 N 0.22 1.09 -0.72 0.00 2.07 -0.93 -0.26 116.25 117.73 2k8s h VAL 16 Ca 0.07 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2k8s h VAL 16 Cb 0.50 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2k8s h VAL 16 CO 0.02 0.17 0.33 0.28 0.02 0.00 0.00 177.57 178.39 2k8s h SER 17 N 0.93 0.93 0.43 0.57 0.02 -0.91 -1.83 113.55 113.69 2k8s h SER 17 Ca 0.32 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.03 2k8s h SER 17 Cb 0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2k8s h SER 17 CO -0.10 0.80 -0.58 0.00 -1.14 0.00 0.00 176.83 175.80 2k8s h ALA 18 N 1.34 0.93 -0.62 3.77 0.00 -0.67 -1.72 119.26 122.29 2k8s h ALA 18 Ca 0.25 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2k8s h ALA 18 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2k8s h ALA 18 CO -0.03 0.72 0.02 0.93 0.00 0.00 0.00 179.25 180.89 2k8s h GLU 19 N 0.12 1.08 0.00 0.00 5.08 -0.52 0.19 114.58 120.53 2k8s h GLU 19 Ca -0.00 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 57.85 2k8s h GLU 19 Cb 1.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2k8s h GLU 19 CO 0.09 1.03 -0.83 1.96 -1.00 0.00 0.00 179.01 180.26 2k8s h GLN 20 N 0.99 0.00 0.00 2.33 4.20 -1.21 -3.14 115.11 118.29 2k8s h GLN 20 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2k8s h GLN 20 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2k8s h GLN 20 CO 0.03 0.83 0.00 0.00 -0.67 0.00 0.00 178.83 179.02 2k8s n ALA 21 N -2.34 0.14 -0.04 3.87 0.00 -0.66 -4.33 120.51 117.15 2k8s n ALA 21 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 2k8s n ALA 21 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.23 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 0.00 1.24 0.00 0.00 2.07 -0.97 -0.18 116.25 118.40 2k8s h VAL 22 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2k8s h VAL 22 Cb 0.00 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2k8s h VAL 22 CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 2k8s n ALA 23 N -2.29 1.74 0.81 1.67 0.00 0.34 -1.30 120.51 121.48 2k8s n ALA 23 Ca -0.05 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.45 2k8s n ALA 23 Cb 0.19 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 2k8s n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k8s n ASN 24 N -1.73 1.25 0.08 0.00 3.02 -0.99 -4.23 115.26 112.66 2k8s n ASN 24 Ca 0.03 -1.13 -0.22 0.00 -0.03 0.00 0.00 54.58 53.23 2k8s n ASN 24 Cb 0.21 0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 39.99 2k8s n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8s h ALA 25 N 2.78 0.14 -2.00 5.41 0.00 0.31 -3.43 119.26 122.47 2k8s h ALA 25 Ca 0.00 -1.12 -0.57 0.00 0.00 0.00 0.00 54.91 53.22 2k8s h ALA 25 Cb 0.51 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2k8s h ALA 25 CO 0.00 1.01 0.95 0.42 0.00 0.00 0.00 179.25 181.63 2k8s s ILE 26 N -2.58 4.19 0.14 0.00 1.01 -0.69 -4.99 121.20 118.28 2k8s s ILE 26 Ca -0.15 1.37 -0.31 0.00 0.00 0.00 0.00 60.65 61.57 2k8s s ILE 26 Cb 0.05 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 2k8s s ILE 26 CO 0.86 -0.40 1.29 -0.62 0.00 0.00 0.00 174.94 176.08 2k8s s ASP 27 N 2.56 6.95 0.32 3.58 2.15 -1.26 -4.87 116.67 126.10 2k8s s ASP 27 Ca 0.55 2.26 0.02 0.00 0.43 0.00 0.00 52.55 55.81 2k8s s ASP 27 Cb -0.18 -2.59 0.57 0.00 -0.30 0.00 0.00 42.92 40.42 2k8s s ASP 27 CO 0.21 -0.53 1.95 -0.65 -0.17 0.00 0.00 175.17 175.98 2k8s h PRO 28 N 6.14 0.93 -0.04 4.34 0.11 -1.89 0.10 132.00 141.69 2k8s h PRO 28 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k8s h PRO 28 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2k8s h PRO 28 CO 0.81 0.62 0.00 -1.13 -0.21 0.00 0.00 178.00 178.08 2k8s n SER 29 N -4.46 0.91 -0.11 -2.05 3.41 -1.26 -3.15 113.62 106.90 2k8s n SER 29 Ca 0.11 -1.40 -0.20 0.00 -0.26 0.00 0.00 58.87 57.12 2k8s n SER 29 Cb 0.15 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2k8s n LYS 30 N -0.25 0.55 -3.78 4.33 4.81 0.03 -4.94 118.16 118.90 2k8s n LYS 30 Ca 0.19 0.37 -0.21 0.00 -0.87 0.00 0.00 58.31 57.78 2k8s n LYS 30 Cb 0.24 -1.57 -0.17 0.00 0.02 0.00 0.00 35.03 33.55 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 0.46 -0.40 5.64 2.02 0.13 -4.02 117.35 118.67 2k8s s TYR 31 Ca -0.31 -0.03 -0.28 0.00 -0.37 0.00 0.00 57.07 56.08 2k8s s TYR 31 Cb 0.09 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.99 2k8s s TYR 31 CO 0.47 -0.26 1.63 0.99 -1.57 0.00 0.00 175.55 176.81 2k8s s THR 32 N 1.84 3.65 -0.17 -0.71 2.01 -0.80 -4.16 115.64 117.30 2k8s s THR 32 Ca 0.02 0.64 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 2k8s s THR 32 Cb -0.12 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2k8s s THR 32 CO -0.04 -0.63 0.89 -0.69 -0.69 0.00 0.00 174.62 173.46 2k8s s VAL 33 N 6.46 4.84 -0.27 3.82 1.01 -1.26 -0.08 120.40 134.92 2k8s s VAL 33 Ca 0.70 1.75 -0.05 0.00 0.00 0.00 0.00 61.98 64.38 2k8s s VAL 33 Cb -0.18 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2k8s s VAL 33 CO 0.32 -0.00 0.03 -1.61 0.00 0.00 0.00 175.10 173.83 2k8s s GLU 34 N 2.26 3.02 -0.29 2.72 2.02 0.79 -4.93 118.70 124.28 2k8s s GLU 34 Ca 0.41 -0.89 -0.23 0.00 0.02 0.00 0.00 54.97 54.28 2k8s s GLU 34 Cb -0.17 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 2k8s s GLU 34 CO 0.13 -0.42 0.75 0.42 0.02 0.00 0.00 175.26 176.16 2k8s s ILE 35 N 1.44 4.85 -0.12 -1.63 -1.09 -1.26 0.33 121.20 123.71 2k8s s ILE 35 Ca 0.02 1.17 0.02 0.00 -2.23 0.00 0.00 60.65 59.64 2k8s s ILE 35 Cb -0.17 -4.09 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 2k8s s ILE 35 CO -0.00 -0.17 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.65 2k8s s VAL 36 N 2.83 1.84 -0.46 2.92 1.01 0.20 -4.96 120.40 123.78 2k8s s VAL 36 Ca 0.31 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2k8s s VAL 36 Cb -0.15 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.64 2k8s s VAL 36 CO 0.11 0.51 0.50 -2.28 0.00 0.00 0.00 175.10 173.94 2k8s s HIS 37 N 0.80 3.14 -0.98 5.22 2.46 -1.26 -1.78 115.29 122.89 2k8s s HIS 37 Ca -0.09 -0.50 0.28 0.00 0.47 0.00 0.00 55.06 55.22 2k8s s HIS 37 Cb -0.16 -3.16 1.05 0.00 -0.13 0.00 0.00 32.58 30.18 2k8s s HIS 37 CO -0.00 -0.83 1.80 1.28 -2.47 0.00 0.00 174.74 174.53 2k8s n LEU 38 N 5.74 0.16 0.18 8.88 4.77 0.82 -3.46 117.00 134.11 2k8s n LEU 38 Ca -0.08 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 2k8s n LEU 38 Cb 0.46 -0.43 0.20 0.00 -2.33 0.00 0.00 43.42 41.32 2k8s n LEU 38 CO 0.49 0.01 0.66 1.23 -1.33 0.00 0.00 177.39 178.45 2k8s h GLY 39 N 4.96 0.00 0.68 -0.72 0.00 -1.82 -3.16 103.07 103.01 2k8s h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k8s h GLY 39 CO 0.00 0.00 -0.93 2.41 0.00 0.00 0.00 176.54 178.02 2k8s n THR 40 N -3.24 0.18 -3.68 4.70 -1.04 -1.22 -4.81 114.28 105.16 2k8s n THR 40 Ca 0.02 -0.22 -0.25 0.00 -2.04 0.00 0.00 64.05 61.56 2k8s n THR 40 Cb 0.59 0.19 -0.17 0.00 -1.82 0.00 0.00 70.33 69.12 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 -3.86 2.20 0.00 8.00 -1.08 -1.19 -4.99 116.67 115.73 2k8s s ASP 41 Ca 0.05 -0.48 0.26 0.00 -0.52 0.00 0.00 52.55 51.86 2k8s s ASP 41 Cb 0.15 -0.37 0.61 0.00 -1.46 0.00 0.00 42.92 41.85 2k8s s ASP 41 CO 0.78 -0.29 1.48 0.29 0.52 0.00 0.00 175.17 177.96 2k8s n LYS 42 N 5.19 0.12 0.05 4.34 5.02 -1.26 -3.59 118.16 128.03 2k8s n LYS 42 Ca -0.07 -0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 55.99 2k8s n LYS 42 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 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 3.10 0.29 0.00 7.82 0.00 -1.94 -3.00 119.26 125.54 2k8s h ALA 43 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k8s h ALA 43 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k8s h ALA 43 CO 0.00 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.00 2k8s h ARG 44 N 0.33 0.00 -0.73 0.00 3.08 -1.93 -2.65 114.38 112.48 2k8s h ARG 44 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2k8s h ARG 44 Cb 1.58 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.60 2k8s h ARG 44 CO 0.17 0.00 0.47 0.82 -1.07 0.00 0.00 179.97 180.37 2k8s h ILE 45 N 0.00 1.19 -0.73 2.04 2.04 -1.63 0.76 117.51 121.19 2k8s h ILE 45 Ca 0.00 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2k8s h ILE 45 Cb 0.38 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2k8s h ILE 45 CO 0.00 0.19 0.36 0.00 0.00 0.00 0.00 178.15 178.69 2k8s h ALA 46 N 1.26 1.25 -0.47 1.87 0.00 -1.59 0.11 119.26 121.69 2k8s h ALA 46 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2k8s h ALA 46 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2k8s h ALA 46 CO -0.06 0.58 0.08 0.93 0.00 0.00 0.00 179.25 180.78 2k8s h GLU 47 N 1.04 0.78 -0.73 0.00 5.08 -1.46 -1.93 114.58 117.36 2k8s h GLU 47 Ca 0.25 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2k8s h GLU 47 Cb 0.10 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2k8s h GLU 47 CO -0.03 0.79 0.31 0.00 -1.00 0.00 0.00 179.01 179.07 2k8s h ALA 48 N 0.96 0.95 -0.17 3.43 0.00 -0.16 0.14 119.26 124.40 2k8s h ALA 48 Ca 0.14 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k8s h ALA 48 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k8s h ALA 48 CO 0.01 0.56 0.06 0.93 0.00 0.00 0.00 179.25 180.81 2k8s h GLU 49 N 1.05 0.14 -0.24 0.00 5.08 -0.63 0.19 114.58 120.16 2k8s h GLU 49 Ca 0.25 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2k8s h GLU 49 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k8s h GLU 49 CO -0.02 0.09 -0.32 0.87 -1.00 0.00 0.00 179.01 178.62 2k8s h LYS 50 N 0.14 0.50 -0.61 2.33 1.57 -1.08 -2.94 116.57 116.47 2k8s h LYS 50 Ca 0.07 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2k8s h LYS 50 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2k8s h LYS 50 CO -0.08 0.77 0.12 0.00 -0.57 0.00 0.00 179.45 179.69 2k8s h ALA 51 N 1.22 0.81 0.00 3.86 0.00 -0.38 -3.47 119.26 121.31 2k8s h ALA 51 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k8s h ALA 51 Cb 0.78 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k8s h ALA 51 CO 0.06 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.27 2k8s n GLY 52 N -0.59 1.55 3.49 0.00 0.00 0.08 -4.86 105.19 104.85 2k8s n GLY 52 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.81 5.11 -0.20 1.61 1.01 0.43 -4.88 120.40 121.67 2k8s s VAL 53 Ca 0.00 -0.32 0.15 0.00 0.00 0.00 0.00 61.98 61.81 2k8s s VAL 53 Cb 0.00 -4.01 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 2k8s s VAL 53 CO 0.00 -0.38 0.41 0.29 0.00 0.00 0.00 175.10 175.43 2k8s n LYS 54 N 5.55 0.92 -3.96 2.72 4.76 -1.26 -4.42 118.16 122.46 2k8s n LYS 54 Ca -0.08 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.18 2k8s n LYS 54 Cb 0.48 -1.31 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 2k8s n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k8s s SER 55 N -3.38 0.24 0.06 4.39 0.01 -1.26 -0.43 113.70 113.33 2k8s s SER 55 Ca -0.03 -0.66 0.08 0.00 1.31 0.00 0.00 55.95 56.66 2k8s s SER 55 Cb 0.10 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 2k8s s SER 55 CO 0.62 -0.56 -0.23 0.68 0.41 0.00 0.00 173.24 174.17 2k8s s VAL 56 N -3.07 1.87 0.45 3.43 -7.23 0.96 -3.87 120.40 112.94 2k8s s VAL 56 Ca -0.01 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2k8s s VAL 56 Cb 0.02 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2k8s s VAL 56 CO -0.07 0.21 0.94 -2.16 -0.31 0.00 0.00 175.10 173.71 2k8s s PRO 57 N -1.37 4.08 -0.07 4.82 0.04 -1.25 -1.67 135.00 139.58 2k8s s PRO 57 Ca 0.09 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.15 2k8s s PRO 57 Cb -0.09 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2k8s s PRO 57 CO 0.03 -0.11 -0.17 0.00 0.04 0.00 0.00 177.00 176.79 2k8s s ALA 58 N -2.34 1.57 -0.40 8.56 0.00 0.49 -0.28 121.76 129.36 2k8s s ALA 58 Ca 0.60 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 2k8s s ALA 58 Cb -0.09 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.45 2k8s s ALA 58 CO 0.21 0.19 0.23 -1.17 0.00 0.00 0.00 175.76 175.23 2k8s s LEU 59 N 0.46 4.91 -0.80 0.00 0.20 0.15 -0.47 118.68 123.14 2k8s s LEU 59 Ca -0.14 -1.21 -0.21 0.00 0.69 0.00 0.00 54.13 53.26 2k8s s LEU 59 Cb -0.16 -2.01 0.10 0.00 -0.43 0.00 0.00 46.19 43.69 2k8s s LEU 59 CO 0.05 -0.46 1.06 -0.69 -0.29 0.00 0.00 176.35 176.02 2k8s s VAL 60 N 1.50 4.50 -0.24 1.68 1.01 0.15 -0.47 120.40 128.53 2k8s s VAL 60 Ca 0.02 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2k8s s VAL 60 Cb -0.21 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 2k8s s VAL 60 CO 0.05 -1.50 0.53 -0.63 0.00 0.00 0.00 175.10 173.55 2k8s s ILE 61 N 3.44 5.07 0.00 2.22 1.01 -0.34 -0.35 121.20 132.25 2k8s s ILE 61 Ca 0.28 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2k8s s ILE 61 Cb -0.11 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2k8s s ILE 61 CO -0.00 0.10 0.00 0.47 0.00 0.00 0.00 174.94 175.51 2k8s n ASP 62 N 5.37 0.00 0.00 3.58 8.00 -0.40 -2.16 116.55 130.94 2k8s n ASP 62 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2k8s n ASP 62 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.00 0.00 3.77 0.44 0.00 -1.26 -4.79 105.19 103.36 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 3.48 -0.47 4.61 0.00 -0.92 -5.00 121.76 123.45 2k8s s ALA 64 Ca 0.00 0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 2k8s s ALA 64 Cb 0.00 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.34 2k8s s ALA 64 CO 0.00 0.24 0.53 0.00 0.00 0.00 0.00 175.76 176.53 2k8s s ALA 65 N -0.65 3.43 -0.33 0.00 0.00 -1.26 -1.20 121.76 121.74 2k8s s ALA 65 Ca 0.33 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2k8s s ALA 65 Cb -0.20 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2k8s s ALA 65 CO 0.21 -1.82 0.19 -0.06 0.00 0.00 0.00 175.76 174.28 2k8s s PHE 66 N 2.32 3.20 0.47 0.00 0.08 0.38 -4.88 117.98 119.55 2k8s s PHE 66 Ca 0.13 -0.52 -0.22 0.00 0.12 0.00 0.00 56.93 56.44 2k8s s PHE 66 Cb -0.19 -2.40 -0.08 0.00 -0.57 0.00 0.00 43.02 39.78 2k8s s PHE 66 CO 0.12 -0.46 1.10 -1.01 -0.10 0.00 0.00 175.22 174.87 2k8s s HIS 67 N 1.64 2.93 -0.32 0.36 3.76 -1.26 0.33 115.29 122.73 2k8s s HIS 67 Ca 0.05 1.57 0.03 0.00 -0.15 0.00 0.00 55.06 56.56 2k8s s HIS 67 Cb -0.17 -3.23 0.09 0.00 1.11 0.00 0.00 32.58 30.38 2k8s s HIS 67 CO 0.07 -1.18 0.01 0.42 -0.85 0.00 0.00 174.74 173.22 2k8s s ILE 68 N -1.73 2.33 0.20 0.60 1.01 0.61 -4.84 121.20 119.38 2k8s s ILE 68 Ca 0.66 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 59.21 2k8s s ILE 68 Cb -0.23 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.63 2k8s s ILE 68 CO 0.28 -0.43 0.00 0.59 0.00 0.00 0.00 174.94 175.38 2k8s n ASN 69 N 4.33 -5.60 -3.87 3.58 3.02 -1.26 -3.87 115.26 111.60 2k8s n ASN 69 Ca -0.02 0.92 -0.30 0.00 -0.03 0.00 0.00 54.58 55.15 2k8s n ASN 69 Cb 0.42 -2.59 -0.14 0.00 -0.61 0.00 0.00 39.78 36.87 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 -1.59 2.77 -0.09 3.10 5.36 -1.26 -4.60 117.98 121.66 2k8s s PHE 70 Ca 0.00 -2.89 -0.04 0.00 -0.96 0.00 0.00 56.93 53.04 2k8s s PHE 70 Cb 0.00 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 2k8s s PHE 70 CO 0.00 -0.76 -0.07 0.78 -1.46 0.00 0.00 175.22 173.70 2k8s h GLY 71 N 6.64 0.00 -4.56 13.12 0.00 -1.60 -3.49 103.07 113.18 2k8s h GLY 71 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 2k8s h GLY 71 CO 0.61 0.00 -0.70 0.00 0.00 0.00 0.00 176.54 176.45 2k8s s ALA 72 N -2.73 0.28 0.43 3.60 0.00 -1.03 -4.99 121.76 117.31 2k8s s ALA 72 Ca -0.06 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2k8s s ALA 72 Cb 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2k8s s ALA 72 CO 0.09 -0.18 0.66 0.20 0.00 0.00 0.00 175.76 176.52 2k8s s GLY 73 N -1.80 1.52 0.34 0.00 0.00 -1.26 -0.03 107.32 106.08 2k8s s GLY 73 Ca -0.10 -0.99 0.17 0.00 0.00 0.00 0.00 44.72 43.80 2k8s s GLY 73 CO -0.03 -0.84 1.66 1.19 0.00 0.00 0.00 173.10 175.08 2k8s h ILE 74 N 0.45 0.98 0.07 0.90 6.09 -1.02 0.10 117.51 125.09 2k8s h ILE 74 Ca -0.47 -1.78 -0.24 0.00 -1.37 0.00 0.00 64.86 61.00 2k8s h ILE 74 Cb 1.24 2.07 -0.01 0.00 0.47 0.00 0.00 36.82 40.59 2k8s h ILE 74 CO 0.58 0.44 -1.10 0.44 -3.07 0.00 0.00 178.15 175.44 2k8s h ASP 75 N 0.00 0.30 1.53 2.19 3.32 -1.93 -3.09 116.42 118.73 2k8s h ASP 75 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2k8s h ASP 75 Cb 1.03 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2k8s h ASP 75 CO 0.06 1.20 0.00 0.44 -1.72 0.00 0.00 179.24 179.22 2k8s h ASP 76 N 0.07 0.00 0.07 6.45 3.32 -1.86 -3.11 116.42 121.36 2k8s h ASP 76 Ca -0.09 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 2k8s h ASP 76 Cb 1.82 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 2k8s h ASP 76 CO 0.17 0.00 -0.40 0.25 -1.72 0.00 0.00 179.24 177.55 2k8s h LEU 77 N 0.00 0.45 -8.04 1.55 5.85 -0.71 -3.37 115.31 111.04 2k8s h LEU 77 Ca 0.00 -0.19 -0.64 0.00 0.84 0.00 0.00 57.88 57.89 2k8s h LEU 77 Cb 0.76 -0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.55 2k8s h LEU 77 CO 0.00 0.80 1.40 -0.54 -0.34 0.00 0.00 178.44 179.76 2k8s s LYS 78 N -4.22 3.65 0.42 1.25 1.02 -1.18 -4.99 119.74 115.70 2k8s s LYS 78 Ca -0.06 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 54.49 2k8s s LYS 78 Cb 0.13 -5.26 -0.02 0.00 -0.52 0.00 0.00 37.83 32.16 2k8s s LYS 78 CO 0.80 -2.09 0.66 0.20 -0.92 0.00 0.00 175.35 174.00 2k8s s GLY 79 N 4.48 1.45 0.00 -3.33 0.00 -1.26 -5.02 107.32 103.64 2k8s s GLY 79 Ca 0.43 -0.83 0.28 0.00 0.00 0.00 0.00 44.72 44.60 2k8s s GLY 79 CO -0.08 -0.70 1.69 1.44 0.00 0.00 0.00 173.10 175.45