#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8s n ALA 2 N 0.00 5.67 -2.37 3.52 0.00 -1.24 -4.61 120.51 121.48 2k8s n ALA 2 Ca 0.00 -4.65 -0.23 0.00 0.00 0.00 0.00 53.44 48.56 2k8s n ALA 2 Cb 0.00 -1.89 0.15 0.00 0.00 0.00 0.00 19.45 17.71 2k8s n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k8s n SER 3 N 0.06 0.91 -4.74 0.00 3.41 -1.26 -4.45 113.62 107.55 2k8s n SER 3 Ca 0.41 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.71 2k8s n SER 3 Cb 0.30 -0.79 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 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 -5.42 4.58 -0.25 4.33 2.20 -1.26 -0.02 119.74 123.89 2k8s s LYS 4 Ca 0.70 1.24 0.03 0.00 -0.36 0.00 0.00 55.97 57.57 2k8s s LYS 4 Cb -0.03 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.98 2k8s s LYS 4 CO 0.48 0.25 -0.10 0.00 -0.36 0.00 0.00 175.35 175.61 2k8s s ALA 5 N -0.03 2.46 -0.36 3.13 0.00 0.13 -1.22 121.76 125.87 2k8s s ALA 5 Ca 0.42 -1.67 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 2k8s s ALA 5 Cb -0.22 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2k8s s ALA 5 CO 0.26 -1.16 0.28 0.42 0.00 0.00 0.00 175.76 175.56 2k8s s ILE 6 N 1.16 5.25 -0.42 0.00 1.01 0.61 -0.17 121.20 128.65 2k8s s ILE 6 Ca -0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 2k8s s ILE 6 Cb -0.19 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.53 2k8s s ILE 6 CO -0.06 -0.09 0.31 0.12 0.00 0.00 0.00 174.94 175.22 2k8s s PHE 7 N 1.78 3.24 -0.23 3.97 5.36 0.10 0.42 117.98 132.63 2k8s s PHE 7 Ca 0.07 -0.75 -0.10 0.00 -0.96 0.00 0.00 56.93 55.19 2k8s s PHE 7 Cb -0.18 -2.73 -0.05 0.00 -0.34 0.00 0.00 43.02 39.72 2k8s s PHE 7 CO 0.11 -0.66 0.14 0.71 -1.46 0.00 0.00 175.22 174.06 2k8s s TYR 8 N 1.65 3.33 0.28 10.12 2.02 0.92 -0.07 117.35 135.59 2k8s s TYR 8 Ca 0.04 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.93 2k8s s TYR 8 Cb -0.21 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 2k8s s TYR 8 CO 0.09 0.11 0.43 -2.39 -1.57 0.00 0.00 175.55 172.22 2k8s n HIS 9 N 4.07 -1.39 -1.12 2.71 1.44 -0.90 -0.61 115.22 119.43 2k8s n HIS 9 Ca -0.15 -1.75 0.05 0.00 -2.01 0.00 0.00 57.72 53.86 2k8s n HIS 9 Cb 0.52 0.49 0.07 0.00 0.12 0.00 0.00 29.99 31.18 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 -1.20 2.04 -1.02 1.59 0.00 -1.26 -0.26 120.51 120.40 2k8s n ALA 10 Ca -0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 53.44 51.58 2k8s n ALA 10 Cb 0.46 -0.31 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.79 0.48 3.81 0.00 0.00 -1.26 -4.69 105.19 102.74 2k8s n GLY 11 Ca 0.08 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 0.48 0.40 -0.83 0.00 0.13 -2.00 0.11 132.00 130.28 2k8s h PRO 13 Ca -0.47 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2k8s h PRO 13 Cb 1.22 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2k8s h PRO 13 CO 0.58 0.26 0.46 0.28 -0.23 0.00 0.00 178.00 179.35 2k8s h VAL 14 N 0.41 1.24 -0.19 1.56 2.07 -1.98 -2.35 116.25 117.00 2k8s h VAL 14 Ca 0.40 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 2k8s h VAL 14 Cb 0.95 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2k8s h VAL 14 CO -0.13 0.27 -0.41 0.00 0.02 0.00 0.00 177.57 177.32 2k8s h VAL 16 N 0.37 1.07 -0.61 0.00 2.07 -0.90 0.63 116.25 118.88 2k8s h VAL 16 Ca 0.03 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2k8s h VAL 16 Cb 0.87 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2k8s h VAL 16 CO 0.07 0.06 0.40 -1.28 0.02 0.00 0.00 177.57 176.85 2k8s h SER 17 N 0.31 0.69 -0.78 0.57 0.87 -1.33 0.43 113.55 114.31 2k8s h SER 17 Ca 0.08 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2k8s h SER 17 Cb -0.03 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 2k8s h SER 17 CO -0.02 0.49 0.41 0.00 -0.53 0.00 0.00 176.83 177.18 2k8s h ALA 18 N 1.23 1.00 -0.02 6.23 0.00 -1.06 -1.33 119.26 125.31 2k8s h ALA 18 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k8s h ALA 18 Cb -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2k8s h ALA 18 CO -0.06 0.53 -0.00 1.49 0.00 0.00 0.00 179.25 181.21 2k8s h GLU 19 N 1.08 0.03 0.00 0.00 4.81 -0.37 0.17 114.58 120.31 2k8s h GLU 19 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2k8s h GLU 19 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2k8s h GLU 19 CO -0.04 0.38 0.00 1.04 -0.73 0.00 0.00 179.01 179.66 2k8s n GLN 20 N -4.89 0.02 0.04 1.92 6.02 0.10 -2.91 117.38 117.66 2k8s n GLN 20 Ca -0.08 0.06 -0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k8s n GLN 20 Cb 0.20 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.49 2.99 -0.05 -1.58 0.00 -0.51 -4.49 120.51 115.38 2k8s n ALA 21 Ca 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2k8s n ALA 21 Cb 0.29 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 1.33 0.00 0.00 2.07 -0.84 -0.91 116.25 117.90 2k8s h VAL 22 Ca -0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2k8s h VAL 22 Cb 0.21 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2k8s h VAL 22 CO -0.00 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.93 2k8s n ALA 23 N -2.39 2.30 0.01 1.67 0.00 -0.67 -1.19 120.51 120.25 2k8s n ALA 23 Ca -0.06 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 2k8s n ALA 23 Cb 0.31 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 2k8s n ALA 23 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k8s h ASN 24 N 0.00 0.23 0.45 0.00 -0.73 -1.38 -3.36 115.58 110.80 2k8s h ASN 24 Ca 0.00 -0.47 -0.20 0.00 1.87 0.00 0.00 56.30 57.50 2k8s h ASN 24 Cb 0.12 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 2k8s h ASN 24 CO 0.00 1.42 -0.85 0.00 -0.37 0.00 0.00 177.43 177.62 2k8s h ALA 25 N 0.55 0.51 -1.99 1.57 0.00 -0.38 -3.38 119.26 116.14 2k8s h ALA 25 Ca -0.33 -0.69 -0.70 0.00 0.00 0.00 0.00 54.91 53.20 2k8s h ALA 25 Cb 2.02 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 19.56 2k8s h ALA 25 CO 0.10 0.85 0.46 0.42 0.00 0.00 0.00 179.25 181.08 2k8s s ILE 26 N -3.32 4.80 0.34 0.00 1.01 -0.33 -5.03 121.20 118.67 2k8s s ILE 26 Ca -0.04 -1.30 -0.29 0.00 0.00 0.00 0.00 60.65 59.02 2k8s s ILE 26 Cb 0.10 -4.63 -0.11 0.00 0.01 0.00 0.00 42.46 37.83 2k8s s ILE 26 CO 0.84 -1.32 1.52 -1.81 0.00 0.00 0.00 174.94 174.17 2k8s s ASP 27 N 3.44 6.37 0.35 3.58 1.01 -1.26 -4.76 116.67 125.41 2k8s s ASP 27 Ca 0.22 3.00 0.26 0.00 0.71 0.00 0.00 52.55 56.74 2k8s s ASP 27 Cb -0.14 -2.66 1.23 0.00 1.01 0.00 0.00 42.92 42.37 2k8s s ASP 27 CO -0.01 -0.87 1.78 -0.65 0.21 0.00 0.00 175.17 175.62 2k8s h PRO 28 N 3.67 0.00 0.00 8.23 0.11 -1.85 0.97 132.00 143.13 2k8s h PRO 28 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k8s h PRO 28 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k8s h PRO 28 CO 0.70 0.00 -0.90 0.77 -0.21 0.00 0.00 178.00 178.36 2k8s h SER 29 N 0.00 0.00 0.12 -2.05 0.02 -2.01 -3.37 113.55 106.26 2k8s h SER 29 Ca 0.00 -0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.60 2k8s h SER 29 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k8s h SER 29 CO 0.00 0.01 -1.74 0.50 -1.14 0.00 0.00 176.83 174.47 2k8s h LYS 30 N 0.00 0.26 -4.76 3.45 3.64 -1.34 -3.47 116.57 114.34 2k8s h LYS 30 Ca 0.00 -0.44 -0.34 0.00 -1.27 0.00 0.00 60.65 58.60 2k8s h LYS 30 Cb 0.98 0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 32.72 2k8s h LYS 30 CO 0.00 1.21 -0.76 0.71 -2.27 0.00 0.00 179.45 178.34 2k8s s TYR 31 N -2.52 0.81 -0.95 1.91 1.51 0.13 -3.71 117.35 114.52 2k8s s TYR 31 Ca -0.21 -0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 55.26 2k8s s TYR 31 Cb 0.06 -0.48 0.07 0.00 -0.11 0.00 0.00 41.96 41.49 2k8s s TYR 31 CO 0.76 -0.03 1.33 0.99 -1.11 0.00 0.00 175.55 177.50 2k8s s THR 32 N -0.95 4.12 -0.33 -0.71 2.01 0.96 -4.00 115.64 116.74 2k8s s THR 32 Ca -0.04 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.88 2k8s s THR 32 Cb -0.08 -4.96 0.01 0.00 0.01 0.00 0.00 72.50 67.49 2k8s s THR 32 CO 0.01 -1.80 0.91 -0.69 -0.69 0.00 0.00 174.62 172.36 2k8s s VAL 33 N 4.43 4.64 -0.25 3.82 1.01 -1.26 0.18 120.40 132.98 2k8s s VAL 33 Ca 0.40 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.68 2k8s s VAL 33 Cb -0.03 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2k8s s VAL 33 CO -0.06 -0.41 0.00 -0.70 0.00 0.00 0.00 175.10 173.93 2k8s s GLU 34 N 3.32 3.21 -0.22 2.72 2.12 0.76 -4.94 118.70 125.67 2k8s s GLU 34 Ca 0.38 -0.75 -0.11 0.00 0.36 0.00 0.00 54.97 54.85 2k8s s GLU 34 Cb -0.13 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2k8s s GLU 34 CO 0.15 -0.31 0.19 0.42 -0.54 0.00 0.00 175.26 175.17 2k8s s ILE 35 N 1.47 5.35 -0.11 -3.70 1.01 -1.26 0.02 121.20 123.98 2k8s s ILE 35 Ca 0.04 0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.98 2k8s s ILE 35 Cb -0.16 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 2k8s s ILE 35 CO -0.01 0.35 -0.20 -0.69 0.00 0.00 0.00 174.94 174.39 2k8s s VAL 36 N 0.94 2.38 -0.48 2.92 1.01 0.90 -4.94 120.40 123.13 2k8s s VAL 36 Ca 0.09 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 2k8s s VAL 36 Cb -0.13 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.36 2k8s s VAL 36 CO 0.04 0.55 0.57 -2.28 0.00 0.00 0.00 175.10 173.98 2k8s s HIS 37 N 0.32 3.09 -0.21 5.22 2.46 -1.26 -2.11 115.29 122.80 2k8s s HIS 37 Ca -0.16 -0.50 0.28 0.00 0.47 0.00 0.00 55.06 55.15 2k8s s HIS 37 Cb -0.17 -3.36 0.94 0.00 -0.13 0.00 0.00 32.58 29.85 2k8s s HIS 37 CO 0.08 -0.93 1.81 -0.07 -2.47 0.00 0.00 174.74 173.16 2k8s h LEU 38 N 9.49 0.00 -0.65 8.88 3.38 -0.96 -2.96 115.31 132.49 2k8s h LEU 38 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2k8s h LEU 38 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2k8s h LEU 38 CO 0.92 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2k8s n GLY 39 N 0.49 -0.23 0.07 0.83 0.00 -1.25 -3.55 105.19 101.55 2k8s n GLY 39 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.12 1.02 -4.05 2.61 -1.04 -1.12 -5.02 114.28 106.56 2k8s n THR 40 Ca 0.14 -0.69 -0.13 0.00 -2.04 0.00 0.00 64.05 61.34 2k8s n THR 40 Cb 0.21 -0.46 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 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 -4.97 0.69 0.01 8.00 2.15 -1.23 -5.06 116.67 116.26 2k8s s ASP 41 Ca -0.08 -0.47 -0.13 0.00 0.43 0.00 0.00 52.55 52.30 2k8s s ASP 41 Cb 0.06 0.04 -0.33 0.00 -0.30 0.00 0.00 42.92 42.38 2k8s s ASP 41 CO 0.71 -0.19 0.92 0.11 -0.17 0.00 0.00 175.17 176.56 2k8s h LYS 42 N 4.74 0.47 -0.17 4.34 1.79 -1.96 -3.35 116.57 122.43 2k8s h LYS 42 Ca -0.34 -0.79 -0.07 0.00 -2.18 0.00 0.00 60.65 57.27 2k8s h LYS 42 Cb 1.20 0.30 -0.01 0.00 -1.58 0.00 0.00 32.23 32.14 2k8s h LYS 42 CO 0.42 1.37 -0.20 0.00 -1.08 0.00 0.00 179.45 179.96 2k8s h ALA 43 N 0.21 1.35 -0.21 3.86 0.00 -1.97 -2.08 119.26 120.42 2k8s h ALA 43 Ca -0.27 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.42 2k8s h ALA 43 Cb 2.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2k8s h ALA 43 CO 0.24 0.45 0.15 0.00 0.00 0.00 0.00 179.25 180.08 2k8s h ARG 44 N 0.27 0.04 -0.48 0.00 2.47 -1.92 -1.53 114.38 113.22 2k8s h ARG 44 Ca 0.05 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2k8s h ARG 44 Cb 0.52 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2k8s h ARG 44 CO 0.03 0.03 0.20 0.82 0.56 0.00 0.00 179.97 181.61 2k8s h ILE 45 N 0.04 1.21 -0.20 2.04 2.04 -1.55 0.12 117.51 121.21 2k8s h ILE 45 Ca 0.10 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2k8s h ILE 45 Cb 0.33 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2k8s h ILE 45 CO -0.01 0.24 -0.20 0.00 0.00 0.00 0.00 178.15 178.18 2k8s h ALA 46 N 1.04 1.28 -0.14 1.87 0.00 -1.38 -1.99 119.26 119.94 2k8s h ALA 46 Ca 0.16 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 2k8s h ALA 46 Cb 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k8s h ALA 46 CO -0.01 0.48 -0.80 0.93 0.00 0.00 0.00 179.25 179.84 2k8s h GLU 47 N 0.32 0.76 -0.73 0.00 5.08 -1.14 -3.22 114.58 115.66 2k8s h GLU 47 Ca 0.06 -0.64 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2k8s h GLU 47 Cb 0.55 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2k8s h GLU 47 CO 0.04 1.24 0.43 0.00 -1.00 0.00 0.00 179.01 179.72 2k8s h ALA 48 N 0.57 0.93 0.00 3.43 0.00 -0.27 0.37 119.26 124.29 2k8s h ALA 48 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k8s h ALA 48 Cb 1.43 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k8s h ALA 48 CO 0.16 0.41 -0.08 0.93 0.00 0.00 0.00 179.25 180.66 2k8s h GLU 49 N 0.99 0.00 0.20 0.00 5.08 -1.45 0.13 114.58 119.53 2k8s h GLU 49 Ca 0.26 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.31 2k8s h GLU 49 Cb -0.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k8s h GLU 49 CO -0.05 0.08 -1.48 0.87 -1.00 0.00 0.00 179.01 177.44 2k8s h LYS 50 N 0.00 0.42 -0.51 2.33 1.57 -1.24 -3.34 116.57 115.79 2k8s h LYS 50 Ca -0.00 -0.72 -0.06 0.00 -1.87 0.00 0.00 60.65 58.00 2k8s h LYS 50 Cb 0.36 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2k8s h LYS 50 CO 0.01 1.34 0.05 0.00 -0.57 0.00 0.00 179.45 180.29 2k8s h ALA 51 N 0.10 1.14 0.00 3.86 0.00 -0.50 -3.46 119.26 120.39 2k8s h ALA 51 Ca -0.28 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2k8s h ALA 51 Cb 2.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2k8s h ALA 51 CO 0.20 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2k8s n GLY 52 N -0.72 1.53 3.50 0.00 0.00 -0.15 -4.95 105.19 104.40 2k8s n GLY 52 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.65 4.47 -0.05 1.61 1.01 0.27 -4.84 120.40 121.22 2k8s s VAL 53 Ca 0.00 0.10 0.21 0.00 0.00 0.00 0.00 61.98 62.29 2k8s s VAL 53 Cb 0.00 -4.51 -0.31 0.00 0.00 0.00 0.00 36.38 31.56 2k8s s VAL 53 CO 0.00 -1.09 0.41 0.29 0.00 0.00 0.00 175.10 174.72 2k8s n LYS 54 N 7.26 0.65 -4.08 2.72 5.02 -1.26 -4.20 118.16 124.27 2k8s n LYS 54 Ca -0.00 -0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2k8s n LYS 54 Cb 0.47 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 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 -4.51 0.10 0.03 4.39 0.01 -1.26 -1.70 113.70 110.76 2k8s s SER 55 Ca -0.08 -1.10 0.07 0.00 1.31 0.00 0.00 55.95 56.15 2k8s s SER 55 Cb 0.13 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.75 2k8s s SER 55 CO 0.86 -0.89 -0.20 0.68 0.41 0.00 0.00 173.24 174.10 2k8s s VAL 56 N -4.05 1.57 0.39 3.43 -7.23 0.79 -3.91 120.40 111.40 2k8s s VAL 56 Ca 0.26 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2k8s s VAL 56 Cb 0.05 -1.36 -0.07 0.00 0.56 0.00 0.00 36.38 35.56 2k8s s VAL 56 CO 0.06 0.23 0.76 -2.16 -0.31 0.00 0.00 175.10 173.67 2k8s s PRO 57 N -1.01 3.81 -0.04 4.82 0.04 -1.26 -2.54 135.00 138.82 2k8s s PRO 57 Ca 0.07 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.60 2k8s s PRO 57 Cb -0.08 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.07 2k8s s PRO 57 CO 0.01 0.00 -0.05 0.00 0.04 0.00 0.00 177.00 177.01 2k8s s ALA 58 N -2.30 0.67 -0.31 8.56 0.00 0.22 -0.60 121.76 128.00 2k8s s ALA 58 Ca 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 2k8s s ALA 58 Cb -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.66 2k8s s ALA 58 CO 0.29 0.01 0.05 -1.17 0.00 0.00 0.00 175.76 174.94 2k8s s LEU 59 N 0.81 3.94 -0.80 0.00 0.20 0.11 -0.06 118.68 122.88 2k8s s LEU 59 Ca -0.11 -1.06 -0.23 0.00 0.69 0.00 0.00 54.13 53.43 2k8s s LEU 59 Cb -0.14 -1.80 0.07 0.00 -0.43 0.00 0.00 46.19 43.90 2k8s s LEU 59 CO 0.00 -0.25 1.15 -0.69 -0.29 0.00 0.00 176.35 176.28 2k8s s VAL 60 N 1.37 4.22 -0.37 1.68 1.01 0.17 -0.36 120.40 128.11 2k8s s VAL 60 Ca -0.02 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 2k8s s VAL 60 Cb -0.19 -4.82 0.01 0.00 0.00 0.00 0.00 36.38 31.38 2k8s s VAL 60 CO 0.01 -1.64 0.65 -0.63 0.00 0.00 0.00 175.10 173.49 2k8s s ILE 61 N 4.27 4.86 0.00 2.22 1.01 0.10 -0.28 121.20 133.39 2k8s s ILE 61 Ca 0.31 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2k8s s ILE 61 Cb -0.09 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2k8s s ILE 61 CO 0.03 -0.37 0.00 -0.67 0.00 0.00 0.00 174.94 173.94 2k8s n ASP 62 N 6.12 0.00 0.00 3.58 2.03 -0.36 -1.51 116.55 126.41 2k8s n ASP 62 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k8s n ASP 62 Cb 0.48 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.81 0.85 3.76 0.27 0.00 -1.26 -4.83 105.19 102.16 2k8s n GLY 63 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.67 -0.13 4.61 0.00 -0.57 -5.03 121.76 124.30 2k8s s ALA 64 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 2k8s s ALA 64 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2k8s s ALA 64 CO 0.00 0.21 0.69 0.00 0.00 0.00 0.00 175.76 176.66 2k8s s ALA 65 N 0.12 3.45 -0.24 0.00 0.00 -1.26 0.03 121.76 123.85 2k8s s ALA 65 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2k8s s ALA 65 Cb -0.12 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.06 2k8s s ALA 65 CO 0.03 -0.35 -0.06 -0.06 0.00 0.00 0.00 175.76 175.32 2k8s s PHE 66 N 1.41 2.59 -0.11 0.00 0.08 0.51 -4.94 117.98 117.52 2k8s s PHE 66 Ca 0.34 -1.90 -0.30 0.00 0.12 0.00 0.00 56.93 55.20 2k8s s PHE 66 Cb -0.17 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2k8s s PHE 66 CO 0.14 -0.80 1.29 -1.01 -0.10 0.00 0.00 175.22 174.74 2k8s s HIS 67 N 1.33 2.86 -0.54 0.36 3.76 -1.26 0.09 115.29 121.88 2k8s s HIS 67 Ca -0.06 0.97 -0.16 0.00 -0.15 0.00 0.00 55.06 55.65 2k8s s HIS 67 Cb -0.19 -3.53 0.12 0.00 1.11 0.00 0.00 32.58 30.08 2k8s s HIS 67 CO -0.06 -1.86 0.52 0.42 -0.85 0.00 0.00 174.74 172.90 2k8s s ILE 68 N 3.12 5.15 -0.01 0.60 1.01 0.23 -4.74 121.20 126.57 2k8s s ILE 68 Ca 0.57 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 2k8s s ILE 68 Cb -0.24 -4.34 0.01 0.00 0.01 0.00 0.00 42.46 37.89 2k8s s ILE 68 CO 0.19 -0.88 0.03 0.59 0.00 0.00 0.00 174.94 174.87 2k8s n ASN 69 N 5.41 -5.64 -4.56 3.58 3.02 -1.26 -4.21 115.26 111.60 2k8s n ASN 69 Ca -0.13 1.08 -0.29 0.00 -0.03 0.00 0.00 54.58 55.22 2k8s n ASN 69 Cb 0.41 -3.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.96 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 -0.37 1.51 0.00 3.10 5.36 -1.26 -4.12 117.98 122.19 2k8s s PHE 70 Ca -0.03 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 2k8s s PHE 70 Cb 0.00 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 2k8s s PHE 70 CO 0.08 -1.99 0.00 0.41 -1.46 0.00 0.00 175.22 172.27 2k8s n GLY 71 N 6.40 -0.38 3.05 13.12 0.00 -1.12 -5.05 105.19 121.22 2k8s n GLY 71 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.18 0.42 0.10 4.61 0.00 -1.05 -5.01 121.76 117.65 2k8s s ALA 72 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 2k8s s ALA 72 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 2k8s s ALA 72 CO 0.00 -0.24 0.56 0.20 0.00 0.00 0.00 175.76 176.28 2k8s s GLY 73 N -2.26 2.59 0.48 0.00 0.00 -1.26 -0.15 107.32 106.72 2k8s s GLY 73 Ca -0.03 -0.02 0.27 0.00 0.00 0.00 0.00 44.72 44.93 2k8s s GLY 73 CO -0.05 0.35 1.92 1.19 0.00 0.00 0.00 173.10 176.50 2k8s h ILE 74 N 3.26 0.48 0.00 0.90 2.10 -1.63 -2.21 117.51 120.40 2k8s h ILE 74 Ca -0.49 -0.88 -0.05 0.00 1.08 0.00 0.00 64.86 64.52 2k8s h ILE 74 Cb 1.21 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 38.54 2k8s h ILE 74 CO 0.64 0.16 -0.24 -0.78 -1.08 0.00 0.00 178.15 176.86 2k8s h ASP 75 N 0.00 0.00 1.55 2.19 3.58 -1.93 -1.92 116.42 119.89 2k8s h ASP 75 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8s h ASP 75 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k8s h ASP 75 CO 0.02 0.24 0.00 0.44 -2.88 0.00 0.00 179.24 177.06 2k8s h ASP 76 N 0.00 0.00 -0.13 2.28 3.32 -1.77 -3.10 116.42 117.03 2k8s h ASP 76 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k8s h ASP 76 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2k8s h ASP 76 CO 0.03 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 2k8s n LEU 77 N -2.64 0.94 0.06 1.55 4.77 -0.72 -3.29 117.00 117.66 2k8s n LEU 77 Ca 0.04 -0.42 0.12 0.00 -0.03 0.00 0.00 56.01 55.71 2k8s n LEU 77 Cb 0.43 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2k8s n LEU 77 CO 0.30 0.21 0.14 0.29 -1.33 0.00 0.00 177.39 177.01 2k8s n LYS 78 N -0.10 0.37 -4.54 3.23 5.02 -1.17 -4.95 118.16 116.02 2k8s n LYS 78 Ca 0.12 0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 2k8s n LYS 78 Cb 0.19 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.43 2k8s n LYS 78 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k8s s GLY 79 N -3.83 2.64 0.00 0.72 0.00 -1.21 -5.19 107.32 100.46 2k8s s GLY 79 Ca 0.04 -1.58 0.32 0.00 0.00 0.00 0.00 44.72 43.49 2k8s s GLY 79 CO 0.76 -2.09 2.18 1.44 0.00 0.00 0.00 173.10 175.39