#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 3.28 0.59 3.52 0.00 -1.23 -4.77 121.76 123.14 2k8s s ALA 2 Ca 0.00 -2.78 -0.20 0.00 0.00 0.00 0.00 51.96 48.99 2k8s s ALA 2 Cb 0.00 -4.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.69 2k8s s ALA 2 CO 0.00 -3.23 1.29 -1.12 0.00 0.00 0.00 175.76 172.70 2k8s s SER 3 N 4.07 5.06 -0.61 0.00 0.01 -1.26 -4.17 113.70 116.80 2k8s s SER 3 Ca 0.45 2.60 -0.27 0.00 1.31 0.00 0.00 55.95 60.04 2k8s s SER 3 Cb -0.00 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2k8s s SER 3 CO -0.02 -1.69 1.65 -0.75 0.41 0.00 0.00 173.24 172.83 2k8s s LYS 4 N -3.16 2.91 -0.53 12.44 2.47 -1.26 -2.79 119.74 129.82 2k8s s LYS 4 Ca 0.76 0.44 -0.19 0.00 -1.56 0.00 0.00 55.97 55.43 2k8s s LYS 4 Cb -0.36 -4.28 0.07 0.00 -1.46 0.00 0.00 37.83 31.79 2k8s s LYS 4 CO 0.41 -2.41 0.63 0.00 0.16 0.00 0.00 175.35 174.13 2k8s s ALA 5 N 7.68 3.41 -0.32 3.13 0.00 -0.20 0.20 121.76 135.65 2k8s s ALA 5 Ca 0.58 -1.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 2k8s s ALA 5 Cb -0.12 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2k8s s ALA 5 CO 0.21 -2.08 0.36 0.42 0.00 0.00 0.00 175.76 174.67 2k8s s ILE 6 N 2.56 5.17 -0.35 0.00 1.01 0.12 0.27 121.20 129.98 2k8s s ILE 6 Ca 0.13 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 2k8s s ILE 6 Cb -0.21 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2k8s s ILE 6 CO 0.10 -0.01 0.28 0.12 0.00 0.00 0.00 174.94 175.43 2k8s s PHE 7 N 2.04 3.22 -0.28 3.97 5.36 0.14 0.17 117.98 132.60 2k8s s PHE 7 Ca 0.13 -0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 55.81 2k8s s PHE 7 Cb -0.16 -2.55 -0.05 0.00 -0.34 0.00 0.00 43.02 39.92 2k8s s PHE 7 CO 0.11 -0.40 0.21 0.71 -1.46 0.00 0.00 175.22 174.39 2k8s s TYR 8 N 1.82 3.22 0.09 10.12 1.51 0.57 -0.46 117.35 134.22 2k8s s TYR 8 Ca 0.08 0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2k8s s TYR 8 Cb -0.17 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 2k8s s TYR 8 CO 0.11 -0.18 0.02 -3.38 -1.11 0.00 0.00 175.55 171.01 2k8s s HIS 9 N 1.79 0.69 -1.10 2.71 -3.43 -0.65 -0.03 115.29 115.27 2k8s s HIS 9 Ca 0.08 -1.15 0.14 0.00 -0.80 0.00 0.00 55.06 53.33 2k8s s HIS 9 Cb -0.16 -0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 2k8s s HIS 9 CO 0.11 -0.46 0.72 0.00 -2.00 0.00 0.00 174.74 173.11 2k8s n ALA 10 N -0.00 3.25 -0.74 -1.38 0.00 -1.26 0.08 120.51 120.45 2k8s n ALA 10 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2k8s n ALA 10 Cb 0.62 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 1.13 0.95 3.99 0.00 0.00 -1.26 -3.79 105.19 106.21 2k8s n GLY 11 Ca 0.05 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 0.50 0.64 -0.45 0.00 0.11 -2.00 0.17 132.00 130.97 2k8s h PRO 13 Ca -0.43 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2k8s h PRO 13 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2k8s h PRO 13 CO 0.50 0.43 0.18 0.28 -0.21 0.00 0.00 178.00 179.18 2k8s h VAL 14 N 0.66 1.17 -0.40 3.15 2.07 -1.99 -1.51 116.25 119.40 2k8s h VAL 14 Ca 0.61 -0.52 -0.16 0.00 0.82 0.00 0.00 66.70 67.45 2k8s h VAL 14 Cb 1.08 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2k8s h VAL 14 CO -0.42 0.20 -0.37 0.00 0.02 0.00 0.00 177.57 177.00 2k8s h VAL 16 N 0.78 1.17 -0.39 0.00 2.07 -0.83 -0.11 116.25 118.94 2k8s h VAL 16 Ca 0.07 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2k8s h VAL 16 Cb 0.97 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2k8s h VAL 16 CO 0.09 0.19 0.23 0.28 0.02 0.00 0.00 177.57 178.38 2k8s h SER 17 N 0.61 0.47 -0.81 0.57 0.02 -1.20 0.87 113.55 114.09 2k8s h SER 17 Ca 0.16 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2k8s h SER 17 Cb 0.08 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 2k8s h SER 17 CO -0.02 0.40 0.45 0.00 -1.14 0.00 0.00 176.83 176.51 2k8s h ALA 18 N 1.10 1.26 -0.16 3.77 0.00 -1.03 -0.65 119.26 123.54 2k8s h ALA 18 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2k8s h ALA 18 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2k8s h ALA 18 CO -0.03 0.60 0.01 1.49 0.00 0.00 0.00 179.25 181.33 2k8s h GLU 19 N 1.14 0.28 0.00 0.00 4.81 -0.56 0.20 114.58 120.44 2k8s h GLU 19 Ca 0.29 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2k8s h GLU 19 Cb 0.02 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2k8s h GLU 19 CO -0.05 0.48 0.00 1.04 -0.73 0.00 0.00 179.01 179.76 2k8s n GLN 20 N -4.76 0.56 0.03 1.92 1.13 0.26 -3.09 117.38 113.43 2k8s n GLN 20 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2k8s n GLN 20 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 2k8s n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k8s n ALA 21 N -1.22 3.00 -0.04 -1.58 0.00 -0.28 -4.66 120.51 115.73 2k8s n ALA 21 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2k8s n ALA 21 Cb 0.21 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 1.19 0.00 0.00 2.07 -0.85 0.93 116.25 119.59 2k8s h VAL 22 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2k8s h VAL 22 Cb 0.00 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2k8s h VAL 22 CO 0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.77 2k8s n ALA 23 N -2.25 2.53 -0.06 1.67 0.00 -0.27 -1.90 120.51 120.23 2k8s n ALA 23 Ca -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 2k8s n ALA 23 Cb 0.15 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.83 1.66 0.04 0.00 2.85 -0.85 -4.43 115.26 113.70 2k8s n ASN 24 Ca 0.14 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.52 2k8s n ASN 24 Cb 0.07 0.96 0.04 0.00 1.24 0.00 0.00 39.78 42.09 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 0.77 0.64 -2.81 5.20 0.00 -0.40 -3.36 119.26 119.29 2k8s h ALA 25 Ca -0.31 -0.57 -0.76 0.00 0.00 0.00 0.00 54.91 53.27 2k8s h ALA 25 Cb 1.66 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 19.10 2k8s h ALA 25 CO 0.02 0.73 -0.11 0.42 0.00 0.00 0.00 179.25 180.32 2k8s s ILE 26 N -3.74 4.94 0.24 0.00 1.01 -0.80 -5.07 121.20 117.78 2k8s s ILE 26 Ca -0.06 -2.42 -0.04 0.00 0.00 0.00 0.00 60.65 58.13 2k8s s ILE 26 Cb 0.11 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2k8s s ILE 26 CO 0.84 -0.95 0.47 1.51 0.00 0.00 0.00 174.94 176.81 2k8s s ASP 27 N 2.00 6.44 0.24 3.58 -4.77 -1.26 -4.74 116.67 118.16 2k8s s ASP 27 Ca 0.15 0.60 0.15 0.00 -3.30 0.00 0.00 52.55 50.15 2k8s s ASP 27 Cb -0.16 -2.09 0.84 0.00 -1.09 0.00 0.00 42.92 40.41 2k8s s ASP 27 CO -0.05 -0.10 1.46 -0.81 0.70 0.00 0.00 175.17 176.36 2k8s n PRO 28 N -0.65 0.10 0.06 2.11 -0.04 -1.09 -1.38 135.00 134.11 2k8s n PRO 28 Ca -0.03 0.59 -0.05 0.00 -0.04 0.00 0.00 63.50 63.98 2k8s n PRO 28 Cb 0.53 -1.86 0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2k8s n PRO 28 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k8s h SER 29 N 0.00 0.37 0.00 3.54 0.02 -2.00 -3.32 113.55 112.16 2k8s h SER 29 Ca 0.00 -0.18 -0.44 0.00 -0.84 0.00 0.00 61.79 60.34 2k8s h SER 29 Cb 0.06 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 2k8s h SER 29 CO 0.00 0.79 -2.49 1.17 -1.14 0.00 0.00 176.83 175.16 2k8s n LYS 30 N -3.98 0.58 -3.89 3.45 4.81 -0.48 -4.92 118.16 113.73 2k8s n LYS 30 Ca -0.02 0.23 -0.20 0.00 -0.87 0.00 0.00 58.31 57.44 2k8s n LYS 30 Cb 0.53 -1.47 -0.17 0.00 0.02 0.00 0.00 35.03 33.95 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 -2.49 0.53 -0.15 5.64 2.02 -0.48 -3.58 117.35 118.84 2k8s s TYR 31 Ca -0.37 -0.09 -0.28 0.00 -0.37 0.00 0.00 57.07 55.96 2k8s s TYR 31 Cb 0.13 -0.63 -0.01 0.00 -0.40 0.00 0.00 41.96 41.05 2k8s s TYR 31 CO 0.50 -0.23 0.96 0.99 -1.57 0.00 0.00 175.55 176.20 2k8s s THR 32 N 1.49 4.79 -0.14 -0.71 2.01 -1.12 -2.66 115.64 119.30 2k8s s THR 32 Ca -0.03 1.91 -0.06 0.00 0.31 0.00 0.00 61.69 63.82 2k8s s THR 32 Cb -0.13 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2k8s s THR 32 CO -0.03 -0.02 0.09 -0.69 -0.69 0.00 0.00 174.62 173.27 2k8s s VAL 33 N 2.28 5.02 -0.09 3.82 1.01 -1.26 -1.03 120.40 130.15 2k8s s VAL 33 Ca 0.44 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2k8s s VAL 33 Cb -0.17 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2k8s s VAL 33 CO 0.14 0.55 -0.02 -0.70 0.00 0.00 0.00 175.10 175.06 2k8s s GLU 34 N -0.40 3.00 -0.26 2.72 2.56 0.14 -4.95 118.70 121.51 2k8s s GLU 34 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 54.97 54.54 2k8s s GLU 34 Cb -0.12 -2.75 -0.01 0.00 2.00 0.00 0.00 34.13 33.25 2k8s s GLU 34 CO 0.02 0.63 0.05 0.42 -0.56 0.00 0.00 175.26 175.82 2k8s s ILE 35 N -0.70 3.99 -0.18 -3.70 -1.09 -1.26 0.24 121.20 118.50 2k8s s ILE 35 Ca 0.11 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2k8s s ILE 35 Cb -0.12 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.85 2k8s s ILE 35 CO 0.02 0.28 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.21 2k8s s VAL 36 N 1.55 2.91 -0.35 2.92 1.01 0.39 -4.97 120.40 123.86 2k8s s VAL 36 Ca 0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2k8s s VAL 36 Cb -0.15 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2k8s s VAL 36 CO 0.02 0.49 0.28 -2.28 0.00 0.00 0.00 175.10 173.60 2k8s s HIS 37 N 1.07 3.23 -1.04 5.22 2.46 -1.26 -1.64 115.29 123.32 2k8s s HIS 37 Ca -0.00 -0.24 0.26 0.00 0.47 0.00 0.00 55.06 55.55 2k8s s HIS 37 Cb -0.15 -2.54 0.64 0.00 -0.13 0.00 0.00 32.58 30.41 2k8s s HIS 37 CO -0.03 -0.42 1.51 1.28 -2.47 0.00 0.00 174.74 174.62 2k8s n LEU 38 N 5.18 0.44 -2.01 8.88 4.77 0.11 -4.16 117.00 130.21 2k8s n LEU 38 Ca -0.12 0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.71 2k8s n LEU 38 Cb 0.49 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2k8s n LEU 38 CO 0.38 0.11 1.27 0.61 -1.33 0.00 0.00 177.39 178.43 2k8s n GLY 39 N 1.49 4.58 2.03 -0.72 0.00 -1.25 -4.38 105.19 106.94 2k8s n GLY 39 Ca 0.06 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.07 0.00 -3.27 2.61 -1.04 -1.26 -5.03 114.28 106.23 2k8s n THR 40 Ca 0.40 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 62.02 2k8s n THR 40 Cb 0.64 -0.03 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 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 -2.34 6.96 0.26 8.00 2.15 -1.26 -4.97 116.67 125.46 2k8s s ASP 41 Ca 0.00 1.14 0.18 0.00 0.43 0.00 0.00 52.55 54.30 2k8s s ASP 41 Cb 0.00 -2.34 0.07 0.00 -0.30 0.00 0.00 42.92 40.35 2k8s s ASP 41 CO 0.00 0.17 1.30 0.11 -0.17 0.00 0.00 175.17 176.58 2k8s h LYS 42 N 5.32 0.00 0.00 4.34 1.57 -1.95 -3.25 116.57 122.61 2k8s h LYS 42 Ca -0.47 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 2k8s h LYS 42 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2k8s h LYS 42 CO 0.67 0.28 -0.48 0.00 -0.57 0.00 0.00 179.45 179.36 2k8s h ALA 43 N 1.66 1.18 -0.88 3.86 0.00 -1.97 -2.17 119.26 120.93 2k8s h ALA 43 Ca -0.03 -0.44 0.14 0.00 0.00 0.00 0.00 54.91 54.58 2k8s h ALA 43 Cb 1.29 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2k8s h ALA 43 CO 0.04 0.60 0.48 0.00 0.00 0.00 0.00 179.25 180.37 2k8s h ARG 44 N 0.00 0.68 -0.34 0.00 2.47 -1.92 -0.28 114.38 114.99 2k8s h ARG 44 Ca -0.00 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2k8s h ARG 44 Cb 0.86 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 2k8s h ARG 44 CO 0.06 0.45 0.08 0.82 0.56 0.00 0.00 179.97 181.94 2k8s h ILE 45 N 0.70 1.22 -0.71 2.04 2.04 -1.55 -1.09 117.51 120.16 2k8s h ILE 45 Ca 0.48 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2k8s h ILE 45 Cb 0.64 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 2k8s h ILE 45 CO -0.34 0.25 0.44 0.00 0.00 0.00 0.00 178.15 178.50 2k8s h ALA 46 N 0.92 0.92 -0.83 1.87 0.00 -1.19 -0.87 119.26 120.09 2k8s h ALA 46 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k8s h ALA 46 Cb 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2k8s h ALA 46 CO 0.00 0.22 0.46 0.93 0.00 0.00 0.00 179.25 180.86 2k8s h GLU 47 N 0.87 1.15 -0.37 0.00 5.08 -0.88 -2.25 114.58 118.18 2k8s h GLU 47 Ca 0.28 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2k8s h GLU 47 Cb 0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2k8s h GLU 47 CO -0.11 0.84 0.09 0.00 -1.00 0.00 0.00 179.01 178.83 2k8s h ALA 48 N 1.24 1.47 0.00 3.43 0.00 -0.20 -0.16 119.26 125.05 2k8s h ALA 48 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k8s h ALA 48 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k8s h ALA 48 CO -0.05 0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.98 2k8s n GLU 49 N -4.34 0.22 0.06 0.00 1.02 -0.43 -0.63 120.64 116.54 2k8s n GLU 49 Ca 0.02 0.30 -0.22 0.00 -0.02 0.00 0.00 57.16 57.25 2k8s n GLU 49 Cb 0.19 -1.82 -0.15 0.00 -0.02 0.00 0.00 31.44 29.64 2k8s n GLU 49 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2k8s h LYS 50 N 0.00 0.36 -0.10 3.49 1.57 -0.57 -3.35 116.57 117.97 2k8s h LYS 50 Ca 0.00 -0.61 -0.17 0.00 -1.87 0.00 0.00 60.65 58.00 2k8s h LYS 50 Cb 0.55 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2k8s h LYS 50 CO 0.00 1.27 -0.67 0.00 -0.57 0.00 0.00 179.45 179.48 2k8s h ALA 51 N 0.18 0.66 0.00 3.86 0.00 -1.03 -3.48 119.26 119.46 2k8s h ALA 51 Ca -0.34 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2k8s h ALA 51 Cb 2.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2k8s h ALA 51 CO 0.17 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2k8s n GLY 52 N 0.44 0.99 3.72 0.00 0.00 0.19 -4.96 105.19 105.59 2k8s n GLY 52 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.98 4.71 -0.23 1.61 1.01 0.11 -4.96 120.40 120.68 2k8s s VAL 53 Ca 0.00 1.94 0.03 0.00 0.00 0.00 0.00 61.98 63.95 2k8s s VAL 53 Cb 0.00 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 2k8s s VAL 53 CO 0.00 0.27 -0.18 0.29 0.00 0.00 0.00 175.10 175.48 2k8s n LYS 54 N 3.25 0.63 -4.03 2.72 5.02 -1.26 -4.73 118.16 119.76 2k8s n LYS 54 Ca 0.02 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 2k8s n LYS 54 Cb 0.50 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 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 -6.15 0.06 0.13 4.39 0.01 -1.26 -1.66 113.70 109.22 2k8s s SER 55 Ca -0.29 -1.01 0.09 0.00 1.31 0.00 0.00 55.95 56.06 2k8s s SER 55 Cb 0.08 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2k8s s SER 55 CO 0.56 -0.92 -0.23 0.68 0.41 0.00 0.00 173.24 173.74 2k8s s VAL 56 N -4.02 1.97 0.59 3.43 -7.23 0.47 -4.05 120.40 111.55 2k8s s VAL 56 Ca 0.23 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 2k8s s VAL 56 Cb 0.04 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2k8s s VAL 56 CO 0.04 -0.05 1.04 -2.16 -0.31 0.00 0.00 175.10 173.66 2k8s s PRO 57 N -2.15 3.45 0.16 4.82 0.04 -1.25 -2.17 135.00 137.89 2k8s s PRO 57 Ca 0.11 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.32 2k8s s PRO 57 Cb -0.09 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2k8s s PRO 57 CO 0.06 -0.70 -0.18 0.00 0.04 0.00 0.00 177.00 176.22 2k8s s ALA 58 N -2.62 1.96 -0.25 8.56 0.00 0.95 -0.35 121.76 130.02 2k8s s ALA 58 Ca 0.61 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2k8s s ALA 58 Cb -0.14 -0.19 0.08 0.00 0.00 0.00 0.00 23.12 22.88 2k8s s ALA 58 CO 0.39 0.24 0.07 -1.17 0.00 0.00 0.00 175.76 175.30 2k8s s LEU 59 N -2.58 1.43 -0.49 0.00 2.96 0.17 -0.32 118.68 119.85 2k8s s LEU 59 Ca 0.14 -1.19 -0.21 0.00 -0.22 0.00 0.00 54.13 52.66 2k8s s LEU 59 Cb -0.06 -0.64 0.04 0.00 0.50 0.00 0.00 46.19 46.03 2k8s s LEU 59 CO 0.06 -0.37 0.71 -0.69 -1.32 0.00 0.00 176.35 174.75 2k8s s VAL 60 N 1.82 4.73 -0.67 1.68 1.01 0.13 -0.70 120.40 128.40 2k8s s VAL 60 Ca 0.05 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2k8s s VAL 60 Cb -0.17 -4.32 0.11 0.00 0.00 0.00 0.00 36.38 32.00 2k8s s VAL 60 CO -0.19 -0.80 0.81 -0.63 0.00 0.00 0.00 175.10 174.29 2k8s s ILE 61 N 3.03 4.80 0.00 2.22 -1.09 0.80 0.11 121.20 131.07 2k8s s ILE 61 Ca 0.22 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 2k8s s ILE 61 Cb -0.15 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 2k8s s ILE 61 CO 0.17 -1.22 0.00 -0.67 -1.23 0.00 0.00 174.94 171.99 2k8s n ASP 62 N 6.37 0.00 0.00 3.58 2.03 0.13 -2.06 116.55 126.60 2k8s n ASP 62 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2k8s n ASP 62 Cb 0.44 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.29 0.27 3.72 0.27 0.00 -1.26 -4.81 105.19 102.08 2k8s n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.28 -0.42 4.61 0.00 -0.88 -5.02 121.76 123.33 2k8s s ALA 64 Ca 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.08 2k8s s ALA 64 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2k8s s ALA 64 CO 0.00 -0.13 0.43 0.00 0.00 0.00 0.00 175.76 176.06 2k8s s ALA 65 N 0.78 3.43 0.32 0.00 0.00 -1.26 -0.14 121.76 124.88 2k8s s ALA 65 Ca 0.43 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.93 2k8s s ALA 65 Cb -0.19 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2k8s s ALA 65 CO 0.22 -1.59 0.29 -0.06 0.00 0.00 0.00 175.76 174.62 2k8s s PHE 66 N 2.11 2.95 0.11 0.00 0.08 0.12 -4.95 117.98 118.40 2k8s s PHE 66 Ca 0.12 -0.27 0.10 0.00 0.12 0.00 0.00 56.93 56.99 2k8s s PHE 66 Cb -0.17 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2k8s s PHE 66 CO 0.13 0.23 -0.24 -1.01 -0.10 0.00 0.00 175.22 174.23 2k8s s HIS 67 N -2.27 2.07 -0.38 0.36 3.76 -1.26 0.41 115.29 117.98 2k8s s HIS 67 Ca 0.40 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.87 2k8s s HIS 67 Cb -0.06 -1.14 0.09 0.00 1.11 0.00 0.00 32.58 32.58 2k8s s HIS 67 CO 0.26 0.26 0.17 0.42 -0.85 0.00 0.00 174.74 175.00 2k8s s ILE 68 N -1.07 3.45 0.00 0.60 -1.09 0.53 -4.87 121.20 118.75 2k8s s ILE 68 Ca 0.10 -1.73 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 2k8s s ILE 68 Cb -0.10 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2k8s s ILE 68 CO 0.05 -0.50 0.00 0.59 -1.23 0.00 0.00 174.94 173.84 2k8s n ASN 69 N 4.68 -4.16 -3.82 3.58 3.02 -1.26 -3.86 115.26 113.44 2k8s n ASN 69 Ca -0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.20 2k8s n ASN 69 Cb 0.42 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.47 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 2.88 0.00 3.10 5.36 -1.26 -4.79 117.98 123.26 2k8s s PHE 70 Ca 0.00 -3.00 0.00 0.00 -0.96 0.00 0.00 56.93 52.97 2k8s s PHE 70 Cb 0.00 -2.38 0.00 0.00 -0.34 0.00 0.00 43.02 40.30 2k8s s PHE 70 CO 0.00 -0.68 0.00 0.41 -1.46 0.00 0.00 175.22 173.49 2k8s n GLY 71 N 2.68 -0.44 2.95 13.12 0.00 -1.06 -5.02 105.19 117.43 2k8s n GLY 71 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.09 0.12 0.12 4.61 0.00 -0.92 -4.99 121.76 117.61 2k8s s ALA 72 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 2k8s s ALA 72 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 2k8s s ALA 72 CO 0.00 -0.09 0.63 0.20 0.00 0.00 0.00 175.76 176.51 2k8s s GLY 73 N -0.93 2.70 0.41 0.00 0.00 -1.26 -0.40 107.32 107.84 2k8s s GLY 73 Ca -0.10 0.11 0.20 0.00 0.00 0.00 0.00 44.72 44.93 2k8s s GLY 73 CO -0.01 0.53 1.82 1.19 0.00 0.00 0.00 173.10 176.64 2k8s h ILE 74 N 3.31 0.85 0.01 0.90 2.10 -1.63 -2.92 117.51 120.13 2k8s h ILE 74 Ca -0.49 -1.26 -0.22 0.00 1.08 0.00 0.00 64.86 63.98 2k8s h ILE 74 Cb 1.21 1.76 -0.00 0.00 -1.09 0.00 0.00 36.82 38.70 2k8s h ILE 74 CO 0.64 0.31 -0.94 -0.78 -1.08 0.00 0.00 178.15 176.30 2k8s h ASP 75 N 0.00 0.41 0.59 2.19 3.58 -1.92 -2.97 116.42 118.29 2k8s h ASP 75 Ca -0.00 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.06 2k8s h ASP 75 Cb 0.74 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2k8s h ASP 75 CO 0.04 1.15 -0.24 0.44 -2.88 0.00 0.00 179.24 177.75 2k8s h ASP 76 N 0.17 0.00 0.63 2.28 5.19 -1.91 -2.85 116.42 119.93 2k8s h ASP 76 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2k8s h ASP 76 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2k8s h ASP 76 CO 0.15 0.24 0.00 0.18 -3.12 0.00 0.00 179.24 176.70 2k8s n LEU 77 N -3.65 0.56 0.08 1.55 4.77 -1.12 -2.14 117.00 117.05 2k8s n LEU 77 Ca -0.01 0.65 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 2k8s n LEU 77 Cb 0.37 -0.58 0.33 0.00 -2.33 0.00 0.00 43.42 41.20 2k8s n LEU 77 CO 0.34 -0.54 0.85 0.11 -1.33 0.00 0.00 177.39 176.81 2k8s h LYS 78 N 0.00 0.33 -6.25 3.23 1.57 -1.62 -3.41 116.57 110.42 2k8s h LYS 78 Ca 0.00 -0.09 -0.57 0.00 -1.87 0.00 0.00 60.65 58.13 2k8s h LYS 78 Cb 0.32 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2k8s h LYS 78 CO 0.00 0.48 0.98 0.20 -0.57 0.00 0.00 179.45 180.55 2k8s s GLY 79 N -4.02 1.48 0.00 3.86 0.00 -0.91 -5.20 107.32 102.53 2k8s s GLY 79 Ca -0.06 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2k8s s GLY 79 CO 0.75 2.67 0.52 -1.14 0.00 0.00 0.00 173.10 175.91