#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 2.90 0.41 3.52 0.00 -1.25 -4.82 121.76 122.52 2k8s s ALA 2 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2k8s s ALA 2 Cb 0.00 -4.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.01 2k8s s ALA 2 CO 0.00 -2.64 0.96 0.45 0.00 0.00 0.00 175.76 174.53 2k8s s SER 3 N 5.03 6.96 -0.32 0.00 0.15 -1.15 -4.50 113.70 119.87 2k8s s SER 3 Ca 0.67 1.76 -0.29 0.00 0.70 0.00 0.00 55.95 58.79 2k8s s SER 3 Cb -0.16 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2k8s s SER 3 CO 0.31 -0.35 1.30 -0.75 1.20 0.00 0.00 173.24 174.96 2k8s s LYS 4 N -2.92 3.87 -0.26 5.44 2.20 -1.26 0.49 119.74 127.30 2k8s s LYS 4 Ca 0.60 1.18 0.01 0.00 -0.36 0.00 0.00 55.97 57.39 2k8s s LYS 4 Cb -0.12 -3.89 0.07 0.00 -1.51 0.00 0.00 37.83 32.37 2k8s s LYS 4 CO 0.17 -1.18 -0.02 0.00 -0.36 0.00 0.00 175.35 173.96 2k8s s ALA 5 N 4.49 2.04 -0.20 3.13 0.00 -0.04 0.21 121.76 131.39 2k8s s ALA 5 Ca 0.56 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2k8s s ALA 5 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2k8s s ALA 5 CO 0.24 -1.33 0.36 0.42 0.00 0.00 0.00 175.76 175.46 2k8s s ILE 6 N 1.35 5.23 -0.53 0.00 1.01 0.40 -0.47 121.20 128.18 2k8s s ILE 6 Ca -0.01 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 2k8s s ILE 6 Cb -0.19 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 38.71 2k8s s ILE 6 CO -0.09 0.28 0.49 0.12 0.00 0.00 0.00 174.94 175.74 2k8s s PHE 7 N 1.16 3.24 -0.11 3.97 5.36 0.17 0.22 117.98 131.99 2k8s s PHE 7 Ca 0.18 -1.25 -0.21 0.00 -0.96 0.00 0.00 56.93 54.69 2k8s s PHE 7 Cb -0.14 -3.74 -0.04 0.00 -0.34 0.00 0.00 43.02 38.76 2k8s s PHE 7 CO 0.07 -1.00 0.61 0.71 -1.46 0.00 0.00 175.22 174.15 2k8s s TYR 8 N 1.62 3.51 0.06 10.12 2.02 0.37 -0.71 117.35 134.34 2k8s s TYR 8 Ca 0.03 1.06 -0.11 0.00 -0.37 0.00 0.00 57.07 57.68 2k8s s TYR 8 Cb -0.29 -2.72 0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2k8s s TYR 8 CO 0.03 0.05 0.25 -3.38 -1.57 0.00 0.00 175.55 170.93 2k8s s HIS 9 N 1.01 0.01 0.00 2.71 -3.43 -0.43 -0.09 115.29 115.07 2k8s s HIS 9 Ca 0.32 -0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 2k8s s HIS 9 Cb -0.16 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 2k8s s HIS 9 CO 0.14 -0.51 0.61 0.00 -2.00 0.00 0.00 174.74 172.98 2k8s n ALA 10 N 0.35 1.33 -2.00 -1.38 0.00 -1.26 0.22 120.51 117.77 2k8s n ALA 10 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2k8s n ALA 10 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 2.18 0.59 0.00 0.00 -1.26 -4.31 105.19 102.39 2k8s n GLY 11 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k8s n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8s n PRO 13 N -2.58 0.00 0.25 0.00 -0.04 -1.26 -0.09 135.00 131.28 2k8s n PRO 13 Ca 0.00 0.60 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 2k8s n PRO 13 Cb 0.00 -1.36 0.62 0.00 -0.04 0.00 0.00 33.50 32.72 2k8s n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k8s h VAL 14 N 0.00 0.38 -0.10 0.52 2.07 -1.97 -2.99 116.25 114.16 2k8s h VAL 14 Ca 0.00 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2k8s h VAL 14 Cb 0.00 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2k8s h VAL 14 CO 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.60 2k8s h VAL 16 N -0.15 1.23 -0.55 0.00 2.07 -0.41 -0.65 116.25 117.79 2k8s h VAL 16 Ca 0.02 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.53 2k8s h VAL 16 Cb 0.64 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2k8s h VAL 16 CO 0.03 0.33 0.26 0.28 0.02 0.00 0.00 177.57 178.49 2k8s h SER 17 N 0.26 0.35 0.70 0.57 0.02 -1.43 0.62 113.55 114.64 2k8s h SER 17 Ca 0.04 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 2k8s h SER 17 Cb 0.54 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2k8s h SER 17 CO 0.04 0.23 -0.86 0.00 -1.14 0.00 0.00 176.83 175.10 2k8s h ALA 18 N 1.32 0.56 -0.44 3.77 0.00 -1.25 -2.28 119.26 120.94 2k8s h ALA 18 Ca 0.25 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2k8s h ALA 18 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k8s h ALA 18 CO -0.20 0.97 0.10 1.49 0.00 0.00 0.00 179.25 181.62 2k8s h GLU 19 N 0.06 0.71 0.01 0.00 4.81 -0.44 0.15 114.58 119.88 2k8s h GLU 19 Ca -0.03 -0.17 -0.21 0.00 -0.13 0.00 0.00 59.36 58.81 2k8s h GLU 19 Cb 1.50 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 2k8s h GLU 19 CO 0.12 0.72 -1.02 1.96 -0.73 0.00 0.00 179.01 180.06 2k8s h GLN 20 N 0.59 0.02 0.00 1.92 4.20 -0.94 -3.24 115.11 117.66 2k8s h GLN 20 Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2k8s h GLN 20 Cb 0.33 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2k8s h GLN 20 CO 0.00 1.01 -0.23 0.00 -0.67 0.00 0.00 178.83 178.94 2k8s n ALA 21 N -2.36 0.20 -0.04 3.87 0.00 -0.86 -4.22 120.51 117.10 2k8s n ALA 21 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 2k8s n ALA 21 Cb 0.95 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.35 1.35 0.00 0.00 2.07 -0.95 -0.76 116.25 117.61 2k8s h VAL 22 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2k8s h VAL 22 Cb 0.23 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2k8s h VAL 22 CO 0.00 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.94 2k8s h ALA 23 N 0.60 1.00 0.00 1.67 0.00 -1.29 -1.66 119.26 119.58 2k8s h ALA 23 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k8s h ALA 23 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k8s h ALA 23 CO 0.02 0.00 -1.38 0.09 0.00 0.00 0.00 179.25 177.98 2k8s n ASN 24 N -2.47 0.72 0.09 0.00 3.02 -1.15 -4.20 115.26 111.27 2k8s n ASN 24 Ca 0.01 -0.48 -0.07 0.00 -0.03 0.00 0.00 54.58 54.01 2k8s n ASN 24 Cb 0.24 1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 40.82 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 2.23 0.50 -2.69 5.41 0.00 -0.22 -3.44 119.26 121.06 2k8s h ALA 25 Ca 0.00 -0.77 -0.56 0.00 0.00 0.00 0.00 54.91 53.58 2k8s h ALA 25 Cb 0.66 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2k8s h ALA 25 CO 0.00 1.01 0.03 0.42 0.00 0.00 0.00 179.25 180.71 2k8s s ILE 26 N -3.06 4.63 -0.05 0.00 1.01 -0.85 -5.06 121.20 117.82 2k8s s ILE 26 Ca -0.01 1.34 -0.24 0.00 0.00 0.00 0.00 60.65 61.73 2k8s s ILE 26 Cb 0.10 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2k8s s ILE 26 CO 0.82 0.51 0.72 -0.62 0.00 0.00 0.00 174.94 176.37 2k8s s ASP 27 N -1.19 7.04 0.16 3.58 -1.08 -1.26 -4.90 116.67 119.01 2k8s s ASP 27 Ca 0.32 1.25 0.17 0.00 -0.52 0.00 0.00 52.55 53.76 2k8s s ASP 27 Cb -0.20 -2.43 0.76 0.00 -1.46 0.00 0.00 42.92 39.59 2k8s s ASP 27 CO 0.21 -0.10 1.51 -2.65 0.52 0.00 0.00 175.17 174.66 2k8s n PRO 28 N 3.62 0.10 0.00 4.34 -0.02 -1.25 -0.43 135.00 141.35 2k8s n PRO 28 Ca -0.01 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 2k8s n PRO 28 Cb 0.51 -1.73 0.07 0.00 -0.02 0.00 0.00 33.50 32.33 2k8s n PRO 28 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k8s n SER 29 N -1.92 2.64 -0.13 2.55 7.64 -1.26 -4.23 113.62 118.90 2k8s n SER 29 Ca 0.01 -1.82 -0.21 0.00 1.01 0.00 0.00 58.87 57.87 2k8s n SER 29 Cb 0.13 0.12 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k8s n LYS 30 N 0.93 0.63 -4.14 1.43 4.81 0.30 -4.50 118.16 117.62 2k8s n LYS 30 Ca 0.12 0.18 -0.16 0.00 -0.87 0.00 0.00 58.31 57.57 2k8s n LYS 30 Cb 0.53 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.51 0.47 -0.88 5.64 1.51 0.43 -2.92 117.35 119.09 2k8s s TYR 31 Ca -0.36 -0.09 -0.23 0.00 -1.01 0.00 0.00 57.07 55.38 2k8s s TYR 31 Cb 0.10 -0.33 0.06 0.00 -0.11 0.00 0.00 41.96 41.69 2k8s s TYR 31 CO 0.57 -0.03 1.27 0.99 -1.11 0.00 0.00 175.55 177.24 2k8s s THR 32 N 0.01 4.09 -0.41 -0.71 2.01 0.18 -3.97 115.64 116.85 2k8s s THR 32 Ca 0.00 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 2k8s s THR 32 Cb -0.04 -4.92 0.02 0.00 0.01 0.00 0.00 72.50 67.58 2k8s s THR 32 CO -0.00 -1.76 1.07 -0.69 -0.69 0.00 0.00 174.62 172.54 2k8s s VAL 33 N 4.59 4.38 -0.34 3.82 1.01 -1.25 -0.86 120.40 131.75 2k8s s VAL 33 Ca 0.37 1.37 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 2k8s s VAL 33 Cb -0.05 -4.49 0.03 0.00 0.00 0.00 0.00 36.38 31.87 2k8s s VAL 33 CO -0.01 -0.75 0.13 -1.61 0.00 0.00 0.00 175.10 172.86 2k8s s GLU 34 N 3.99 2.73 -0.32 2.72 2.02 0.38 -4.96 118.70 125.25 2k8s s GLU 34 Ca 0.45 -1.11 -0.23 0.00 0.02 0.00 0.00 54.97 54.09 2k8s s GLU 34 Cb -0.10 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.62 2k8s s GLU 34 CO 0.24 -0.64 0.78 0.42 0.02 0.00 0.00 175.26 176.07 2k8s s ILE 35 N 1.45 4.78 -0.13 -1.63 1.01 -1.26 0.42 121.20 125.85 2k8s s ILE 35 Ca -0.00 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.73 2k8s s ILE 35 Cb -0.19 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.14 2k8s s ILE 35 CO 0.04 -0.30 -0.18 -0.69 0.00 0.00 0.00 174.94 173.81 2k8s s VAL 36 N 2.98 1.73 -0.42 2.92 1.01 0.11 -4.96 120.40 123.77 2k8s s VAL 36 Ca 0.31 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2k8s s VAL 36 Cb -0.14 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2k8s s VAL 36 CO 0.14 0.49 0.37 -2.28 0.00 0.00 0.00 175.10 173.81 2k8s s HIS 37 N 1.01 3.21 -0.87 5.22 2.46 -1.25 -1.31 115.29 123.75 2k8s s HIS 37 Ca -0.05 -0.51 0.21 0.00 0.47 0.00 0.00 55.06 55.18 2k8s s HIS 37 Cb -0.15 -2.76 0.86 0.00 -0.13 0.00 0.00 32.58 30.40 2k8s s HIS 37 CO -0.04 -0.65 1.65 1.28 -2.47 0.00 0.00 174.74 174.52 2k8s n LEU 38 N 5.37 0.21 0.20 8.88 4.77 0.13 -2.28 117.00 134.28 2k8s n LEU 38 Ca -0.09 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 2k8s n LEU 38 Cb 0.47 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 41.22 2k8s n LEU 38 CO 0.44 -0.24 0.70 1.23 -1.33 0.00 0.00 177.39 178.18 2k8s h GLY 39 N 3.25 0.00 0.42 -0.72 0.00 -1.75 -3.32 103.07 100.95 2k8s h GLY 39 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2k8s h GLY 39 CO 0.00 0.00 -2.13 2.41 0.00 0.00 0.00 176.54 176.82 2k8s n THR 40 N -3.00 1.58 -4.03 4.70 -1.04 -0.96 -4.87 114.28 106.65 2k8s n THR 40 Ca 0.03 -0.72 -0.34 0.00 -2.04 0.00 0.00 64.05 60.99 2k8s n THR 40 Cb 0.53 -1.20 -0.15 0.00 -1.82 0.00 0.00 70.33 67.69 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 -6.33 3.67 0.27 8.00 -1.08 -1.12 -4.98 116.67 115.11 2k8s s ASP 41 Ca -0.18 -0.63 0.24 0.00 -0.52 0.00 0.00 52.55 51.46 2k8s s ASP 41 Cb 0.07 -1.58 0.42 0.00 -1.46 0.00 0.00 42.92 40.38 2k8s s ASP 41 CO 0.76 -0.03 1.51 0.11 0.52 0.00 0.00 175.17 178.04 2k8s h LYS 42 N 7.99 0.00 0.09 4.34 1.57 -1.90 -3.29 116.57 125.37 2k8s h LYS 42 Ca -0.42 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.11 2k8s h LYS 42 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 2k8s h LYS 42 CO 0.61 0.00 -1.14 0.00 -0.57 0.00 0.00 179.45 178.35 2k8s h ALA 43 N 2.25 0.20 0.00 3.86 0.00 -1.93 -3.02 119.26 120.62 2k8s h ALA 43 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 2k8s h ALA 43 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k8s h ALA 43 CO 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 179.25 180.21 2k8s h ARG 44 N 0.09 0.00 -0.72 0.00 2.47 -1.94 -1.84 114.38 112.45 2k8s h ARG 44 Ca -0.10 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.57 2k8s h ARG 44 Cb 1.85 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.14 2k8s h ARG 44 CO 0.18 0.02 0.26 0.82 0.56 0.00 0.00 179.97 181.82 2k8s h ILE 45 N 0.00 1.25 -0.38 2.04 2.04 -1.65 0.26 117.51 121.07 2k8s h ILE 45 Ca -0.00 -0.82 -0.13 0.00 1.00 0.00 0.00 64.86 64.91 2k8s h ILE 45 Cb 0.21 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2k8s h ILE 45 CO 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 178.15 178.19 2k8s h ALA 46 N 1.13 0.78 -0.19 1.87 0.00 -1.46 -0.53 119.26 120.85 2k8s h ALA 46 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k8s h ALA 46 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k8s h ALA 46 CO -0.02 0.65 0.10 1.49 0.00 0.00 0.00 179.25 181.47 2k8s h GLU 47 N 0.69 0.27 -0.86 0.00 4.81 -1.19 -1.38 114.58 116.92 2k8s h GLU 47 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2k8s h GLU 47 Cb 0.83 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 2k8s h GLU 47 CO 0.07 0.28 0.45 0.00 -0.73 0.00 0.00 179.01 179.08 2k8s h ALA 48 N 0.97 1.10 -0.44 2.92 0.00 -0.36 -0.94 119.26 122.51 2k8s h ALA 48 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2k8s h ALA 48 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2k8s h ALA 48 CO -0.01 0.63 0.24 1.49 0.00 0.00 0.00 179.25 181.60 2k8s h GLU 49 N 1.20 0.62 -0.19 0.00 4.81 -0.87 0.20 114.58 120.35 2k8s h GLU 49 Ca 0.30 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2k8s h GLU 49 Cb 0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k8s h GLU 49 CO -0.04 0.49 -0.17 0.87 -0.73 0.00 0.00 179.01 179.42 2k8s h LYS 50 N 0.58 0.32 -0.09 1.92 1.57 -0.92 -2.46 116.57 117.49 2k8s h LYS 50 Ca 0.16 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 2k8s h LYS 50 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2k8s h LYS 50 CO -0.02 0.50 -0.68 0.00 -0.57 0.00 0.00 179.45 178.67 2k8s h ALA 51 N 1.52 0.65 0.00 3.86 0.00 -0.65 -3.48 119.26 121.16 2k8s h ALA 51 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k8s h ALA 51 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k8s h ALA 51 CO 0.03 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2k8s n GLY 52 N 0.47 1.62 3.64 0.00 0.00 0.45 -4.96 105.19 106.41 2k8s n GLY 52 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 4.23 -0.17 1.61 1.01 0.31 -4.89 120.40 120.50 2k8s s VAL 53 Ca 0.00 1.43 0.10 0.00 0.00 0.00 0.00 61.98 63.52 2k8s s VAL 53 Cb 0.00 -4.11 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 2k8s s VAL 53 CO 0.00 -0.34 0.15 0.29 0.00 0.00 0.00 175.10 175.20 2k8s n LYS 54 N 6.99 0.68 -4.03 2.72 5.02 -1.26 -4.47 118.16 123.81 2k8s n LYS 54 Ca 0.14 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.45 2k8s n LYS 54 Cb 0.46 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -6.02 0.08 0.09 4.39 0.01 -1.26 -0.35 113.70 110.64 2k8s s SER 55 Ca -0.16 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.14 2k8s s SER 55 Cb 0.07 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2k8s s SER 55 CO 0.77 -0.90 -0.14 0.68 0.41 0.00 0.00 173.24 174.06 2k8s s VAL 56 N -4.02 1.16 0.45 3.43 -7.23 0.15 -4.07 120.40 110.28 2k8s s VAL 56 Ca 0.23 -1.48 -0.21 0.00 -1.81 0.00 0.00 61.98 58.70 2k8s s VAL 56 Cb 0.04 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 2k8s s VAL 56 CO 0.04 -0.33 1.01 -2.16 -0.31 0.00 0.00 175.10 173.35 2k8s s PRO 57 N -2.18 3.99 -0.03 4.82 0.04 -1.26 -1.30 135.00 139.10 2k8s s PRO 57 Ca 0.03 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.39 2k8s s PRO 57 Cb -0.07 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2k8s s PRO 57 CO 0.02 -0.26 -0.02 0.00 0.04 0.00 0.00 177.00 176.79 2k8s s ALA 58 N -1.98 0.37 -0.51 8.56 0.00 0.86 0.11 121.76 129.18 2k8s s ALA 58 Ca 0.64 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 2k8s s ALA 58 Cb -0.15 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.79 2k8s s ALA 58 CO 0.19 -0.02 0.47 -1.17 0.00 0.00 0.00 175.76 175.23 2k8s s LEU 59 N 0.73 5.74 -0.64 0.00 2.96 0.12 -0.48 118.68 127.12 2k8s s LEU 59 Ca -0.08 -1.45 -0.20 0.00 -0.22 0.00 0.00 54.13 52.18 2k8s s LEU 59 Cb -0.11 -2.22 0.09 0.00 0.50 0.00 0.00 46.19 44.45 2k8s s LEU 59 CO -0.01 -0.77 0.83 -0.69 -1.32 0.00 0.00 176.35 174.39 2k8s s VAL 60 N 1.78 4.62 -0.50 1.68 1.01 0.13 -0.18 120.40 128.96 2k8s s VAL 60 Ca 0.05 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 2k8s s VAL 60 Cb -0.26 -4.58 0.06 0.00 0.00 0.00 0.00 36.38 31.59 2k8s s VAL 60 CO 0.06 -1.28 0.60 -0.63 0.00 0.00 0.00 175.10 173.85 2k8s s ILE 61 N 3.22 4.91 -1.69 2.22 1.01 1.00 -0.46 121.20 131.42 2k8s s ILE 61 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2k8s s ILE 61 Cb -0.20 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.00 2k8s s ILE 61 CO 0.07 -0.76 0.00 -0.67 0.00 0.00 0.00 174.94 173.58 2k8s n ASP 62 N 6.07 -5.50 0.00 3.58 2.03 0.13 -1.05 116.55 121.81 2k8s n ASP 62 Ca -0.07 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k8s n ASP 62 Cb 0.45 -4.62 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 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 -0.92 2.42 3.58 0.27 0.00 -1.26 -5.05 105.19 104.23 2k8s n GLY 63 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 3.30 -0.41 4.61 0.00 -0.21 -5.00 121.76 121.73 2k8s s ALA 64 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.08 2k8s s ALA 64 Cb 0.00 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.52 2k8s s ALA 64 CO 0.00 -1.89 0.89 0.00 0.00 0.00 0.00 175.76 174.76 2k8s s ALA 65 N 3.70 3.34 -0.47 0.00 0.00 -1.26 -0.00 121.76 127.06 2k8s s ALA 65 Ca 0.38 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 2k8s s ALA 65 Cb -0.11 -3.54 0.12 0.00 0.00 0.00 0.00 23.12 19.59 2k8s s ALA 65 CO 0.24 -1.78 0.35 -0.06 0.00 0.00 0.00 175.76 174.50 2k8s s PHE 66 N 3.51 3.41 0.16 0.00 0.08 0.75 -4.92 117.98 120.97 2k8s s PHE 66 Ca 0.36 -1.80 -0.31 0.00 0.12 0.00 0.00 56.93 55.30 2k8s s PHE 66 Cb -0.11 -3.48 -0.09 0.00 -0.57 0.00 0.00 43.02 38.77 2k8s s PHE 66 CO 0.22 -0.98 1.40 -1.01 -0.10 0.00 0.00 175.22 174.75 2k8s s HIS 67 N 1.38 3.19 -0.46 0.36 3.76 -1.26 0.16 115.29 122.42 2k8s s HIS 67 Ca 0.05 0.98 -0.08 0.00 -0.15 0.00 0.00 55.06 55.86 2k8s s HIS 67 Cb -0.26 -3.72 0.12 0.00 1.11 0.00 0.00 32.58 29.83 2k8s s HIS 67 CO -0.00 -2.46 0.32 0.42 -0.85 0.00 0.00 174.74 172.17 2k8s s ILE 68 N 0.71 4.03 0.00 0.60 1.01 0.12 -4.90 121.20 122.76 2k8s s ILE 68 Ca 0.63 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.44 2k8s s ILE 68 Cb -0.38 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2k8s s ILE 68 CO 0.34 -0.75 0.00 0.59 0.00 0.00 0.00 174.94 175.12 2k8s n ASN 69 N 4.85 -3.96 -3.89 3.58 3.02 -1.26 -4.05 115.26 113.55 2k8s n ASN 69 Ca -0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.19 2k8s n ASN 69 Cb 0.41 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.42 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 2.01 -0.04 3.10 5.36 -1.26 -4.69 117.98 122.46 2k8s s PHE 70 Ca 0.00 -1.47 -0.06 0.00 -0.96 0.00 0.00 56.93 54.44 2k8s s PHE 70 Cb 0.00 -1.42 -0.02 0.00 -0.34 0.00 0.00 43.02 41.23 2k8s s PHE 70 CO 0.00 -0.72 -0.12 0.41 -1.46 0.00 0.00 175.22 173.33 2k8s n GLY 71 N 4.78 -0.30 3.01 13.12 0.00 -0.42 -4.99 105.19 120.40 2k8s n GLY 71 Ca -0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.57 0.25 0.14 4.61 0.00 -0.59 -4.99 121.76 118.60 2k8s s ALA 72 Ca -0.10 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2k8s s ALA 72 Cb 0.01 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2k8s s ALA 72 CO 0.15 -0.16 0.05 0.20 0.00 0.00 0.00 175.76 176.00 2k8s s GLY 73 N -1.65 1.81 0.49 0.00 0.00 -1.26 0.30 107.32 106.99 2k8s s GLY 73 Ca -0.12 -1.22 0.26 0.00 0.00 0.00 0.00 44.72 43.64 2k8s s GLY 73 CO -0.02 -1.22 1.96 1.19 0.00 0.00 0.00 173.10 175.02 2k8s h ILE 74 N 2.48 0.57 0.00 0.90 2.10 -0.99 -1.31 117.51 121.26 2k8s h ILE 74 Ca -0.47 -0.80 -0.04 0.00 1.08 0.00 0.00 64.86 64.63 2k8s h ILE 74 Cb 1.19 1.53 -0.01 0.00 -1.09 0.00 0.00 36.82 38.44 2k8s h ILE 74 CO 0.61 0.17 -0.19 0.44 -1.08 0.00 0.00 178.15 178.10 2k8s h ASP 75 N 0.00 0.00 0.59 2.19 5.19 -1.95 -2.66 116.42 119.79 2k8s h ASP 75 Ca -0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 2k8s h ASP 75 Cb 0.52 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2k8s h ASP 75 CO 0.02 0.19 -1.46 0.44 -3.12 0.00 0.00 179.24 175.31 2k8s h ASP 76 N 0.00 0.17 0.85 6.45 3.32 -1.62 -3.33 116.42 122.26 2k8s h ASP 76 Ca -0.00 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2k8s h ASP 76 Cb 0.57 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2k8s h ASP 76 CO 0.02 1.22 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.67 2k8s h LEU 77 N 0.03 0.00 -7.93 1.55 3.38 -1.11 -3.24 115.31 108.00 2k8s h LEU 77 Ca -0.20 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.22 2k8s h LEU 77 Cb 1.95 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.63 2k8s h LEU 77 CO 0.13 0.02 1.75 -0.54 0.09 0.00 0.00 178.44 179.88 2k8s s LYS 78 N -3.76 3.45 0.00 1.13 1.02 -1.16 -4.47 119.74 115.96 2k8s s LYS 78 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.39 2k8s s LYS 78 Cb 0.10 -5.42 0.00 0.00 -0.52 0.00 0.00 37.83 31.99 2k8s s LYS 78 CO 0.53 -2.82 0.00 0.41 -0.92 0.00 0.00 175.35 172.55 2k8s n GLY 79 N 5.71 1.48 3.77 -3.33 0.00 -1.26 -5.07 105.19 106.48 2k8s n GLY 79 Ca 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76