#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 -1.57 0.19 2.33 0.00 -1.26 -5.07 121.76 116.39 2k8s s ALA 2 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 2k8s s ALA 2 Cb 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.53 2k8s s ALA 2 CO 0.00 -0.58 1.30 -1.12 0.00 0.00 0.00 175.76 175.35 2k8s s SER 3 N -2.09 6.92 0.07 0.00 0.01 -1.26 -4.59 113.70 112.75 2k8s s SER 3 Ca -0.04 2.38 -0.05 0.00 1.31 0.00 0.00 55.95 59.55 2k8s s SER 3 Cb -0.01 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2k8s s SER 3 CO -0.03 -0.51 0.31 -1.59 0.41 0.00 0.00 173.24 171.83 2k8s s LYS 4 N -0.11 3.59 -0.20 12.44 -2.85 -1.26 -1.67 119.74 129.68 2k8s s LYS 4 Ca 0.56 -0.12 -0.02 0.00 -1.00 0.00 0.00 55.97 55.39 2k8s s LYS 4 Cb -0.36 -2.98 -0.00 0.00 -2.06 0.00 0.00 37.83 32.43 2k8s s LYS 4 CO 0.38 0.57 -0.09 0.00 0.10 0.00 0.00 175.35 176.31 2k8s s ALA 5 N -1.47 2.69 -0.36 0.59 0.00 0.12 -1.47 121.76 121.86 2k8s s ALA 5 Ca 0.34 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 2k8s s ALA 5 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 2k8s s ALA 5 CO 0.21 -0.37 0.46 0.42 0.00 0.00 0.00 175.76 176.49 2k8s s ILE 6 N 1.36 5.06 -0.57 0.00 1.01 0.16 -0.21 121.20 128.01 2k8s s ILE 6 Ca 0.05 0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.69 2k8s s ILE 6 Cb -0.14 -3.94 0.11 0.00 0.01 0.00 0.00 42.46 38.51 2k8s s ILE 6 CO -0.05 -0.21 0.62 0.12 0.00 0.00 0.00 174.94 175.42 2k8s s PHE 7 N 2.27 3.10 -0.18 3.97 5.36 0.83 0.17 117.98 133.49 2k8s s PHE 7 Ca 0.16 -1.09 -0.20 0.00 -0.96 0.00 0.00 56.93 54.83 2k8s s PHE 7 Cb -0.16 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.56 2k8s s PHE 7 CO 0.13 -1.18 0.60 0.71 -1.46 0.00 0.00 175.22 174.02 2k8s s TYR 8 N 2.25 3.40 0.35 10.12 2.02 0.20 -0.81 117.35 134.89 2k8s s TYR 8 Ca 0.08 0.92 -0.04 0.00 -0.37 0.00 0.00 57.07 57.66 2k8s s TYR 8 Cb -0.27 -2.75 0.02 0.00 -0.40 0.00 0.00 41.96 38.56 2k8s s TYR 8 CO 0.05 -0.11 0.53 -2.39 -1.57 0.00 0.00 175.55 172.06 2k8s n HIS 9 N 4.77 -1.57 -1.12 2.71 1.44 -1.00 -1.11 115.22 119.34 2k8s n HIS 9 Ca -0.02 -2.26 0.07 0.00 -2.01 0.00 0.00 57.72 53.50 2k8s n HIS 9 Cb 0.50 0.60 0.10 0.00 0.12 0.00 0.00 29.99 31.31 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 -0.70 2.17 -2.79 1.59 0.00 -1.26 -0.27 120.51 119.24 2k8s n ALA 10 Ca -0.14 -2.17 -0.10 0.00 0.00 0.00 0.00 53.44 51.03 2k8s n ALA 10 Cb 0.58 -0.36 0.05 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.09 -0.26 3.32 0.00 0.00 -1.26 -4.85 105.19 101.05 2k8s n GLY 11 Ca 0.12 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 3.76 0.15 -0.08 0.00 0.11 -1.98 0.10 132.00 134.06 2k8s h PRO 13 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k8s h PRO 13 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k8s h PRO 13 CO 0.43 0.10 0.04 0.28 -0.21 0.00 0.00 178.00 178.64 2k8s h VAL 14 N 0.15 1.08 -0.00 3.15 2.07 -1.99 -1.91 116.25 118.81 2k8s h VAL 14 Ca 0.59 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.70 2k8s h VAL 14 Cb 1.24 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2k8s h VAL 14 CO -0.72 0.07 -0.78 0.00 0.02 0.00 0.00 177.57 176.16 2k8s h VAL 16 N 0.02 1.21 -0.54 0.00 2.07 -0.77 0.21 116.25 118.45 2k8s h VAL 16 Ca -0.01 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2k8s h VAL 16 Cb 1.38 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2k8s h VAL 16 CO 0.10 0.24 -0.09 0.28 0.02 0.00 0.00 177.57 178.13 2k8s h SER 17 N 0.94 1.01 -0.10 0.57 0.02 -1.04 -1.87 113.55 113.07 2k8s h SER 17 Ca 0.24 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 2k8s h SER 17 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2k8s h SER 17 CO -0.03 1.12 -0.32 0.00 -1.14 0.00 0.00 176.83 176.45 2k8s h ALA 18 N 0.93 0.92 -0.26 3.77 0.00 -1.00 0.12 119.26 123.75 2k8s h ALA 18 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k8s h ALA 18 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k8s h ALA 18 CO 0.05 0.62 0.01 1.49 0.00 0.00 0.00 179.25 181.41 2k8s h GLU 19 N 0.50 0.38 0.19 0.00 4.81 -0.35 0.83 114.58 120.93 2k8s h GLU 19 Ca 0.06 -0.06 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 2k8s h GLU 19 Cb 0.81 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.14 2k8s h GLU 19 CO 0.07 0.40 -1.64 0.37 -0.73 0.00 0.00 179.01 177.47 2k8s h GLN 20 N 0.37 0.40 0.00 1.92 4.15 -0.96 -3.34 115.11 117.65 2k8s h GLN 20 Ca 0.09 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.82 2k8s h GLN 20 Cb 0.23 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2k8s h GLN 20 CO 0.00 1.31 0.00 0.00 -1.93 0.00 0.00 178.83 178.21 2k8s n ALA 21 N -2.79 0.00 -0.13 3.38 0.00 -0.00 -4.07 120.51 116.90 2k8s n ALA 21 Ca -0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 2k8s n ALA 21 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.51 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 1.28 0.00 0.00 2.07 -1.13 0.13 116.25 118.59 2k8s h VAL 22 Ca 0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2k8s h VAL 22 Cb 0.00 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2k8s h VAL 22 CO 0.00 0.46 0.00 0.00 0.02 0.00 0.00 177.57 178.05 2k8s n ALA 23 N -2.50 2.43 -0.01 1.67 0.00 -0.12 -2.11 120.51 119.88 2k8s n ALA 23 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k8s n ALA 23 Cb 0.45 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.76 4.27 -0.19 0.00 2.85 -0.95 -4.61 115.26 115.88 2k8s n ASN 24 Ca 0.11 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2k8s n ASN 24 Cb 0.05 0.89 0.24 0.00 1.24 0.00 0.00 39.78 42.20 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 0.23 1.42 -1.94 5.20 0.00 -0.43 -3.35 119.26 120.39 2k8s h ALA 25 Ca -0.04 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.20 2k8s h ALA 25 Cb 0.62 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2k8s h ALA 25 CO 0.00 0.50 0.69 0.42 0.00 0.00 0.00 179.25 180.86 2k8s s ILE 26 N -5.69 4.47 -0.02 0.00 1.01 -1.11 -4.98 121.20 114.88 2k8s s ILE 26 Ca -0.11 1.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 2k8s s ILE 26 Cb 0.17 -4.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 2k8s s ILE 26 CO 0.78 -0.69 1.91 -0.62 0.00 0.00 0.00 174.94 176.32 2k8s s ASP 27 N 2.06 6.40 0.17 3.58 -1.08 -1.26 -4.85 116.67 121.70 2k8s s ASP 27 Ca 0.41 2.46 0.16 0.00 -0.52 0.00 0.00 52.55 55.05 2k8s s ASP 27 Cb -0.11 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 39.58 2k8s s ASP 27 CO 0.23 -1.12 1.49 -2.65 0.52 0.00 0.00 175.17 173.64 2k8s n PRO 28 N 7.57 0.10 -0.16 4.34 -0.02 -1.25 -0.20 135.00 145.38 2k8s n PRO 28 Ca 0.20 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2k8s n PRO 28 Cb 0.42 -1.75 0.19 0.00 -0.02 0.00 0.00 33.50 32.34 2k8s n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k8s n SER 29 N -1.94 3.37 -0.01 2.55 2.88 -1.26 -4.22 113.62 114.98 2k8s n SER 29 Ca 0.01 -1.98 -0.02 0.00 -1.33 0.00 0.00 58.87 55.55 2k8s n SER 29 Cb 0.10 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 2k8s n SER 29 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k8s n LYS 30 N 1.44 1.71 -4.31 -1.46 4.81 0.18 -5.00 118.16 115.53 2k8s n LYS 30 Ca 0.18 0.01 -0.20 0.00 -0.87 0.00 0.00 58.31 57.43 2k8s n LYS 30 Cb 0.60 -1.06 -0.15 0.00 0.02 0.00 0.00 35.03 34.43 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 -2.05 0.83 -0.56 5.64 1.51 0.73 -4.72 117.35 118.73 2k8s s TYR 31 Ca -0.03 -0.21 -0.28 0.00 -1.01 0.00 0.00 57.07 55.55 2k8s s TYR 31 Cb 0.01 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 2k8s s TYR 31 CO 0.08 -0.10 1.54 0.99 -1.11 0.00 0.00 175.55 176.94 2k8s s THR 32 N 0.30 3.66 -0.47 -0.71 2.01 -0.67 -3.80 115.64 115.96 2k8s s THR 32 Ca -0.04 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.22 2k8s s THR 32 Cb -0.09 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.17 2k8s s THR 32 CO 0.00 -1.07 1.04 -0.69 -0.69 0.00 0.00 174.62 173.21 2k8s s VAL 33 N 6.77 4.33 -0.29 3.82 1.01 -1.26 0.11 120.40 134.90 2k8s s VAL 33 Ca 0.57 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 63.55 2k8s s VAL 33 Cb -0.12 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.77 2k8s s VAL 33 CO 0.24 -0.92 0.01 -0.70 0.00 0.00 0.00 175.10 173.73 2k8s s GLU 34 N 4.12 2.71 -0.18 2.72 2.12 0.71 -4.94 118.70 125.96 2k8s s GLU 34 Ca 0.43 -1.08 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 2k8s s GLU 34 Cb -0.09 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2k8s s GLU 34 CO 0.29 -0.52 0.20 0.42 -0.54 0.00 0.00 175.26 175.11 2k8s s ILE 35 N 1.34 5.37 -0.06 -3.70 1.01 -1.26 -0.12 121.20 123.78 2k8s s ILE 35 Ca -0.02 0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2k8s s ILE 35 Cb -0.18 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2k8s s ILE 35 CO -0.01 0.42 -0.11 -0.69 0.00 0.00 0.00 174.94 174.55 2k8s s VAL 36 N 0.40 0.99 -0.22 2.92 1.01 0.01 -4.90 120.40 120.62 2k8s s VAL 36 Ca 0.11 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2k8s s VAL 36 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2k8s s VAL 36 CO 0.00 0.32 1.04 -2.28 0.00 0.00 0.00 175.10 174.19 2k8s s HIS 37 N 0.63 3.34 -0.16 5.22 2.46 -1.26 -2.38 115.29 123.15 2k8s s HIS 37 Ca -0.12 1.47 0.19 0.00 0.47 0.00 0.00 55.06 57.07 2k8s s HIS 37 Cb -0.15 -3.27 -0.11 0.00 -0.13 0.00 0.00 32.58 28.92 2k8s s HIS 37 CO 0.03 -0.49 0.83 -0.11 -2.47 0.00 0.00 174.74 172.53 2k8s n LEU 38 N 6.25 0.73 -0.28 8.88 -0.00 0.63 -4.16 117.00 129.06 2k8s n LEU 38 Ca 0.12 0.30 0.14 0.00 -0.00 0.00 0.00 56.01 56.57 2k8s n LEU 38 Cb 0.46 0.04 0.67 0.00 -0.00 0.00 0.00 43.42 44.59 2k8s n LEU 38 CO 0.52 0.02 0.95 0.61 -0.00 0.00 0.00 177.39 179.49 2k8s n GLY 39 N 1.32 -0.41 0.12 -3.96 0.00 -1.25 -3.74 105.19 97.27 2k8s n GLY 39 Ca -0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 1.39 -5.21 2.61 -1.04 -1.26 -4.97 114.28 105.49 2k8s n THR 40 Ca 0.20 -0.60 -0.32 0.00 -2.04 0.00 0.00 64.05 61.29 2k8s n THR 40 Cb 0.24 -1.18 -0.16 0.00 -1.82 0.00 0.00 70.33 67.41 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 -6.17 3.15 0.00 8.00 2.15 -1.24 -5.00 116.67 117.56 2k8s s ASP 41 Ca -0.28 -0.51 0.27 0.00 0.43 0.00 0.00 52.55 52.45 2k8s s ASP 41 Cb 0.08 -1.13 0.87 0.00 -0.30 0.00 0.00 42.92 42.44 2k8s s ASP 41 CO 0.62 0.21 1.64 0.29 -0.17 0.00 0.00 175.17 177.75 2k8s n LYS 42 N 3.21 0.90 0.10 4.34 5.02 -1.26 -3.68 118.16 126.80 2k8s n LYS 42 Ca -0.18 -0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 55.44 2k8s n LYS 42 Cb 0.52 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.12 0.00 7.82 0.00 -1.94 -3.12 119.26 125.87 2k8s h ALA 43 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2k8s h ALA 43 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k8s h ALA 43 CO 0.00 0.90 0.00 0.00 0.00 0.00 0.00 179.25 180.15 2k8s h ARG 44 N 0.12 0.00 -0.70 0.00 -0.00 -1.93 -2.77 114.38 109.11 2k8s h ARG 44 Ca -0.14 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.30 2k8s h ARG 44 Cb 1.91 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.85 2k8s h ARG 44 CO 0.21 0.00 0.27 0.82 0.00 0.00 0.00 179.97 181.26 2k8s h ILE 45 N 0.00 1.24 -0.29 2.04 2.04 -1.65 0.15 117.51 121.04 2k8s h ILE 45 Ca 0.00 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 2k8s h ILE 45 Cb 0.51 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2k8s h ILE 45 CO 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 178.15 178.25 2k8s h ALA 46 N 1.28 1.11 -0.34 1.87 0.00 -1.60 -1.40 119.26 120.17 2k8s h ALA 46 Ca 0.23 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2k8s h ALA 46 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k8s h ALA 46 CO -0.02 0.55 -0.24 0.93 0.00 0.00 0.00 179.25 180.47 2k8s h GLU 47 N 0.47 0.67 -0.48 0.00 5.08 -1.40 -1.36 114.58 117.57 2k8s h GLU 47 Ca 0.07 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2k8s h GLU 47 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2k8s h GLU 47 CO 0.04 0.85 0.24 0.00 -1.00 0.00 0.00 179.01 179.15 2k8s h ALA 48 N 1.14 0.62 -0.19 3.43 0.00 -0.14 0.66 119.26 124.77 2k8s h ALA 48 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2k8s h ALA 48 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k8s h ALA 48 CO 0.06 0.17 -0.21 0.93 0.00 0.00 0.00 179.25 180.19 2k8s h GLU 49 N 0.63 0.33 0.00 0.00 5.08 -1.12 0.29 114.58 119.80 2k8s h GLU 49 Ca 0.17 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2k8s h GLU 49 Cb 0.10 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2k8s h GLU 49 CO -0.02 0.54 -0.73 -0.22 -1.00 0.00 0.00 179.01 177.57 2k8s h LYS 50 N 0.30 0.00 0.02 2.33 3.64 -0.74 -3.21 116.57 118.91 2k8s h LYS 50 Ca 0.05 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.16 2k8s h LYS 50 Cb 0.55 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2k8s h LYS 50 CO 0.04 0.73 -1.45 0.00 -2.27 0.00 0.00 179.45 176.50 2k8s h ALA 51 N 1.27 0.55 0.00 5.00 0.00 -0.61 -3.48 119.26 121.98 2k8s h ALA 51 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2k8s h ALA 51 Cb 1.33 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2k8s h ALA 51 CO 0.10 1.40 0.00 0.41 0.00 0.00 0.00 179.25 181.15 2k8s n GLY 52 N 1.52 1.99 3.69 0.00 0.00 -0.07 -4.64 105.19 107.67 2k8s n GLY 52 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 4.90 -0.17 1.61 1.01 0.83 -4.80 120.40 121.77 2k8s s VAL 53 Ca 0.00 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.74 2k8s s VAL 53 Cb 0.00 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 2k8s s VAL 53 CO 0.00 0.08 -0.11 0.29 0.00 0.00 0.00 175.10 175.36 2k8s n LYS 54 N 4.74 0.76 -3.71 2.72 5.02 -1.26 -4.55 118.16 121.88 2k8s n LYS 54 Ca 0.04 0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 2k8s n LYS 54 Cb 0.50 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 2k8s n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2k8s s SER 55 N -5.54 -0.15 0.05 4.39 1.04 -1.26 -0.11 113.70 112.12 2k8s s SER 55 Ca -0.20 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 2k8s s SER 55 Cb 0.06 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2k8s s SER 55 CO 0.47 -0.73 0.25 0.68 0.98 0.00 0.00 173.24 174.89 2k8s s VAL 56 N -3.20 5.34 0.07 5.02 -7.23 0.47 -3.46 120.40 117.41 2k8s s VAL 56 Ca -0.01 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.73 2k8s s VAL 56 Cb 0.01 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 2k8s s VAL 56 CO -0.07 0.21 0.96 -2.16 -0.31 0.00 0.00 175.10 173.72 2k8s s PRO 57 N -2.25 4.64 -0.22 4.82 0.05 -1.26 -1.15 135.00 139.64 2k8s s PRO 57 Ca 0.33 1.43 -0.01 0.00 0.05 0.00 0.00 61.00 62.79 2k8s s PRO 57 Cb -0.13 -3.40 0.02 0.00 0.05 0.00 0.00 34.50 31.03 2k8s s PRO 57 CO 0.23 0.13 -0.11 0.00 0.05 0.00 0.00 177.00 177.29 2k8s s ALA 58 N 0.34 2.58 -0.56 8.56 0.00 -0.26 -0.90 121.76 131.52 2k8s s ALA 58 Ca 0.48 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.96 2k8s s ALA 58 Cb -0.22 -1.50 0.11 0.00 0.00 0.00 0.00 23.12 21.51 2k8s s ALA 58 CO 0.29 -0.55 0.61 -1.17 0.00 0.00 0.00 175.76 174.94 2k8s s LEU 59 N 1.34 5.67 -0.65 0.00 2.96 0.75 -0.63 118.68 128.12 2k8s s LEU 59 Ca 0.03 -1.53 -0.18 0.00 -0.22 0.00 0.00 54.13 52.23 2k8s s LEU 59 Cb -0.15 -2.27 0.12 0.00 0.50 0.00 0.00 46.19 44.39 2k8s s LEU 59 CO -0.07 -0.99 0.74 -0.69 -1.32 0.00 0.00 176.35 174.02 2k8s s VAL 60 N 2.24 4.94 -0.52 1.68 1.01 0.13 0.01 120.40 129.89 2k8s s VAL 60 Ca 0.08 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 2k8s s VAL 60 Cb -0.26 -4.51 0.05 0.00 0.00 0.00 0.00 36.38 31.66 2k8s s VAL 60 CO 0.05 -1.14 0.75 -0.63 0.00 0.00 0.00 175.10 174.14 2k8s s ILE 61 N 2.28 4.68 0.00 2.22 1.01 0.37 0.36 121.20 132.12 2k8s s ILE 61 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2k8s s ILE 61 Cb -0.21 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.88 2k8s s ILE 61 CO 0.02 -0.91 0.00 -0.67 0.00 0.00 0.00 174.94 173.39 2k8s n ASP 62 N 6.69 0.00 0.00 3.58 2.03 -0.54 -1.87 116.55 126.44 2k8s n ASP 62 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2k8s n ASP 62 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.00 0.02 3.64 0.27 0.00 -1.26 -5.06 105.19 102.80 2k8s n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.60 -0.20 4.61 0.00 -0.78 -4.81 121.76 124.18 2k8s s ALA 64 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 2k8s s ALA 64 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2k8s s ALA 64 CO 0.00 -1.09 0.63 0.00 0.00 0.00 0.00 175.76 175.30 2k8s s ALA 65 N 3.03 3.54 -0.28 0.00 0.00 -1.26 -0.48 121.76 126.31 2k8s s ALA 65 Ca 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2k8s s ALA 65 Cb -0.14 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.04 2k8s s ALA 65 CO 0.10 -0.56 -0.02 -0.06 0.00 0.00 0.00 175.76 175.22 2k8s s PHE 66 N 1.92 3.18 -0.21 0.00 0.08 0.10 -4.92 117.98 118.14 2k8s s PHE 66 Ca 0.29 -1.69 -0.27 0.00 0.12 0.00 0.00 56.93 55.38 2k8s s PHE 66 Cb -0.16 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 2k8s s PHE 66 CO 0.10 -0.76 0.94 -1.01 -0.10 0.00 0.00 175.22 174.39 2k8s s HIS 67 N 1.30 3.36 -0.70 0.36 3.76 -1.26 -0.18 115.29 121.93 2k8s s HIS 67 Ca -0.03 1.35 -0.18 0.00 -0.15 0.00 0.00 55.06 56.05 2k8s s HIS 67 Cb -0.18 -3.16 0.13 0.00 1.11 0.00 0.00 32.58 30.48 2k8s s HIS 67 CO -0.02 -0.39 0.80 0.42 -0.85 0.00 0.00 174.74 174.70 2k8s s ILE 68 N 2.79 4.92 0.00 0.60 1.01 -0.08 -4.93 121.20 125.51 2k8s s ILE 68 Ca 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2k8s s ILE 68 Cb -0.16 -4.55 0.00 0.00 0.01 0.00 0.00 42.46 37.76 2k8s s ILE 68 CO 0.09 -1.20 0.00 0.59 0.00 0.00 0.00 174.94 174.42 2k8s n ASN 69 N 6.04 -3.90 -4.08 3.58 3.02 -1.26 -4.20 115.26 114.46 2k8s n ASN 69 Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.24 2k8s n ASN 69 Cb 0.44 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.46 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 3.13 0.00 3.10 5.36 -1.26 -4.66 117.98 123.65 2k8s s PHE 70 Ca 0.00 -2.15 0.00 0.00 -0.96 0.00 0.00 56.93 53.82 2k8s s PHE 70 Cb 0.00 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 2k8s s PHE 70 CO 0.00 -0.86 0.00 0.41 -1.46 0.00 0.00 175.22 173.31 2k8s n GLY 71 N 4.48 -0.36 2.81 13.12 0.00 -0.30 -4.97 105.19 119.96 2k8s n GLY 71 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.21 0.13 0.18 4.61 0.00 -0.76 -4.97 121.76 116.74 2k8s s ALA 72 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 2k8s s ALA 72 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 2k8s s ALA 72 CO 0.00 -0.07 0.61 0.20 0.00 0.00 0.00 175.76 176.50 2k8s s GLY 73 N 0.83 2.50 0.39 0.00 0.00 -1.26 -0.40 107.32 109.38 2k8s s GLY 73 Ca -0.07 -0.03 0.14 0.00 0.00 0.00 0.00 44.72 44.75 2k8s s GLY 73 CO -0.02 0.27 1.86 1.19 0.00 0.00 0.00 173.10 176.40 2k8s h ILE 74 N 2.73 1.21 -0.94 0.90 2.10 -0.85 -2.34 117.51 120.32 2k8s h ILE 74 Ca -0.48 -1.16 0.07 0.00 1.08 0.00 0.00 64.86 64.37 2k8s h ILE 74 Cb 1.19 1.63 -0.07 0.00 -1.09 0.00 0.00 36.82 38.49 2k8s h ILE 74 CO 0.66 0.33 0.60 0.44 -1.08 0.00 0.00 178.15 179.09 2k8s h ASP 75 N 0.00 0.94 1.54 2.19 5.19 -1.94 -1.96 116.42 122.38 2k8s h ASP 75 Ca -0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2k8s h ASP 75 Cb 0.60 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2k8s h ASP 75 CO 0.04 0.59 -0.33 -0.78 -3.12 0.00 0.00 179.24 175.64 2k8s h ASP 76 N 1.07 0.00 0.94 6.45 3.58 -1.73 -3.20 116.42 123.54 2k8s h ASP 76 Ca 0.41 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.74 2k8s h ASP 76 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2k8s h ASP 76 CO -0.18 0.01 -0.49 -0.07 -2.88 0.00 0.00 179.24 175.63 2k8s h LEU 77 N 0.00 0.00 0.37 2.28 3.38 -1.04 -3.29 115.31 117.01 2k8s h LEU 77 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k8s h LEU 77 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2k8s h LEU 77 CO 0.00 0.49 -0.18 0.11 0.09 0.00 0.00 178.44 178.95 2k8s h LYS 78 N 0.00 -0.48 0.00 1.13 1.57 -1.48 -3.50 116.57 113.81 2k8s h LYS 78 Ca -0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2k8s h LYS 78 Cb 1.09 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2k8s h LYS 78 CO 0.06 -0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.16 2k8s n GLY 79 N 0.18 -0.60 0.53 3.86 0.00 -1.24 -5.16 105.19 102.77 2k8s n GLY 79 Ca -0.08 0.41 0.14 0.00 0.00 0.00 0.00 46.02 46.48 2k8s n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76