#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 4.18 -1.96 3.52 0.00 -1.24 -4.73 120.51 120.27 2k8s n ALA 2 Ca 0.00 -4.66 -0.27 0.00 0.00 0.00 0.00 53.44 48.51 2k8s n ALA 2 Cb 0.00 -2.34 0.15 0.00 0.00 0.00 0.00 19.45 17.26 2k8s n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k8s s SER 3 N 1.06 3.67 -0.19 0.00 0.01 -1.20 -4.73 113.70 112.32 2k8s s SER 3 Ca 0.31 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.51 2k8s s SER 3 Cb -0.09 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2k8s s SER 3 CO -0.09 -2.34 0.05 -0.75 0.41 0.00 0.00 173.24 170.52 2k8s s LYS 4 N -5.57 3.88 -0.20 12.44 2.20 -1.26 -0.00 119.74 131.22 2k8s s LYS 4 Ca 0.70 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 2k8s s LYS 4 Cb -0.05 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2k8s s LYS 4 CO 0.49 0.18 -0.17 0.00 -0.36 0.00 0.00 175.35 175.49 2k8s s ALA 5 N 0.61 2.41 -0.32 3.13 0.00 0.12 -2.54 121.76 125.17 2k8s s ALA 5 Ca 0.02 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 2k8s s ALA 5 Cb -0.13 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 2k8s s ALA 5 CO 0.02 -0.56 0.17 0.42 0.00 0.00 0.00 175.76 175.81 2k8s s ILE 6 N 1.25 4.66 -0.45 0.00 -1.09 0.62 -0.29 121.20 125.91 2k8s s ILE 6 Ca 0.02 -0.46 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 2k8s s ILE 6 Cb -0.15 -3.41 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 2k8s s ILE 6 CO -0.11 0.02 0.36 0.12 -1.23 0.00 0.00 174.94 174.11 2k8s s PHE 7 N 1.62 3.25 -0.13 3.97 5.36 0.53 0.16 117.98 132.74 2k8s s PHE 7 Ca 0.04 -0.87 -0.17 0.00 -0.96 0.00 0.00 56.93 54.98 2k8s s PHE 7 Cb -0.17 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.46 2k8s s PHE 7 CO 0.07 -0.74 0.44 0.71 -1.46 0.00 0.00 175.22 174.23 2k8s s TYR 8 N 1.64 3.49 0.30 10.12 2.02 0.56 0.18 117.35 135.66 2k8s s TYR 8 Ca 0.04 0.82 -0.14 0.00 -0.37 0.00 0.00 57.07 57.42 2k8s s TYR 8 Cb -0.23 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 38.84 2k8s s TYR 8 CO 0.07 0.17 0.62 -3.38 -1.57 0.00 0.00 175.55 171.46 2k8s s HIS 9 N 0.64 0.26 -0.53 2.71 -3.43 -0.66 -0.30 115.29 113.98 2k8s s HIS 9 Ca 0.24 -0.70 0.08 0.00 -0.80 0.00 0.00 55.06 53.88 2k8s s HIS 9 Cb -0.15 0.44 -0.06 0.00 -1.43 0.00 0.00 32.58 31.39 2k8s s HIS 9 CO 0.09 -1.22 0.43 0.00 -2.00 0.00 0.00 174.74 172.04 2k8s n ALA 10 N -0.47 2.97 0.00 -1.38 0.00 -1.26 -0.07 120.51 120.31 2k8s n ALA 10 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k8s n ALA 10 Cb 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 1.07 0.19 3.73 0.00 0.00 -1.26 -4.24 105.19 104.68 2k8s n GLY 11 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.31 0.42 -0.89 0.00 0.11 -1.99 0.24 132.00 128.58 2k8s h PRO 13 Ca -0.44 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.71 2k8s h PRO 13 Cb 1.25 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2k8s h PRO 13 CO 0.47 0.28 0.58 0.28 -0.21 0.00 0.00 178.00 179.40 2k8s h VAL 14 N 0.43 1.08 -0.26 3.15 2.07 -1.98 -1.14 116.25 119.59 2k8s h VAL 14 Ca 0.64 -0.35 -0.19 0.00 0.82 0.00 0.00 66.70 67.62 2k8s h VAL 14 Cb 1.31 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2k8s h VAL 14 CO -0.54 0.19 -0.59 0.00 0.02 0.00 0.00 177.57 176.64 2k8s h VAL 16 N 0.65 1.18 -0.73 0.00 2.07 -0.66 0.26 116.25 119.02 2k8s h VAL 16 Ca 0.00 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2k8s h VAL 16 Cb 1.20 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2k8s h VAL 16 CO 0.13 0.19 0.45 0.28 0.02 0.00 0.00 177.57 178.65 2k8s h SER 17 N 0.69 0.74 -0.41 0.57 0.02 -1.25 0.83 113.55 114.73 2k8s h SER 17 Ca 0.18 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 2k8s h SER 17 Cb 0.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2k8s h SER 17 CO -0.03 0.50 -0.34 0.00 -1.14 0.00 0.00 176.83 175.83 2k8s h ALA 18 N 1.32 0.61 -0.15 3.77 0.00 -1.30 -2.20 119.26 121.32 2k8s h ALA 18 Ca 0.30 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k8s h ALA 18 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k8s h ALA 18 CO -0.12 0.68 -0.08 1.49 0.00 0.00 0.00 179.25 181.21 2k8s h GLU 19 N 0.80 0.32 0.00 0.00 4.81 -0.55 0.29 114.58 120.24 2k8s h GLU 19 Ca 0.08 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 2k8s h GLU 19 Cb 0.93 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2k8s h GLU 19 CO 0.09 0.65 -0.39 0.37 -0.73 0.00 0.00 179.01 179.00 2k8s h GLN 20 N -0.02 0.00 0.00 1.92 5.75 -0.87 -3.05 115.11 118.84 2k8s h GLN 20 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2k8s h GLN 20 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2k8s h GLN 20 CO 0.02 0.39 -0.05 0.00 -2.65 0.00 0.00 178.83 176.54 2k8s n ALA 21 N -2.39 0.04 -0.02 3.38 0.00 -0.83 -4.31 120.51 116.39 2k8s n ALA 21 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 2k8s n ALA 21 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.05 1.24 0.00 0.00 2.07 -1.13 -0.75 116.25 117.63 2k8s h VAL 22 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2k8s h VAL 22 Cb 0.05 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k8s h VAL 22 CO 0.00 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.80 2k8s n ALA 23 N -2.27 2.20 -0.06 1.67 0.00 -0.96 -2.23 120.51 118.86 2k8s n ALA 23 Ca -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2k8s n ALA 23 Cb 0.18 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.17 0.85 0.12 0.00 2.85 -0.95 -4.40 115.26 112.55 2k8s n ASN 24 Ca 0.13 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.59 2k8s n ASN 24 Cb 0.13 1.14 0.06 0.00 1.24 0.00 0.00 39.78 42.35 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 1.03 0.68 -2.55 5.20 0.00 -0.68 -3.44 119.26 119.50 2k8s h ALA 25 Ca -0.34 -0.63 -0.53 0.00 0.00 0.00 0.00 54.91 53.41 2k8s h ALA 25 Cb 1.74 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2k8s h ALA 25 CO 0.02 0.86 0.58 0.42 0.00 0.00 0.00 179.25 181.13 2k8s s ILE 26 N -3.12 3.80 0.02 0.00 1.01 -1.05 -4.97 121.20 116.89 2k8s s ILE 26 Ca 0.01 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.72 2k8s s ILE 26 Cb 0.10 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 2k8s s ILE 26 CO 0.77 0.14 1.61 -0.62 0.00 0.00 0.00 174.94 176.84 2k8s s ASP 27 N 0.74 6.66 0.56 3.58 -1.08 -1.26 -4.89 116.67 120.98 2k8s s ASP 27 Ca 0.57 2.35 0.27 0.00 -0.52 0.00 0.00 52.55 55.23 2k8s s ASP 27 Cb -0.31 -2.55 1.66 0.00 -1.46 0.00 0.00 42.92 40.26 2k8s s ASP 27 CO 0.32 -0.87 2.20 -0.65 0.52 0.00 0.00 175.17 176.69 2k8s h PRO 28 N 8.60 0.00 0.00 4.34 0.11 -1.94 -0.38 132.00 142.74 2k8s h PRO 28 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2k8s h PRO 28 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k8s h PRO 28 CO 0.93 0.03 -1.11 0.43 -0.21 0.00 0.00 178.00 178.07 2k8s n SER 29 N -3.89 0.59 0.04 -2.05 7.64 -1.26 -4.01 113.62 110.68 2k8s n SER 29 Ca -0.03 -0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.65 2k8s n SER 29 Cb 0.12 0.84 -0.14 0.00 -1.01 0.00 0.00 64.21 64.02 2k8s n SER 29 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k8s h LYS 30 N 0.00 0.15 -3.68 1.43 3.64 -1.57 -3.46 116.57 113.08 2k8s h LYS 30 Ca 0.00 -0.25 -0.38 0.00 -1.27 0.00 0.00 60.65 58.74 2k8s h LYS 30 Cb 0.81 0.09 -0.36 0.00 -0.41 0.00 0.00 32.23 32.37 2k8s h LYS 30 CO 0.00 0.95 -0.75 0.71 -2.27 0.00 0.00 179.45 178.09 2k8s s TYR 31 N -2.62 0.42 -0.86 1.91 1.51 -0.28 -3.22 117.35 114.21 2k8s s TYR 31 Ca -0.07 -0.03 -0.25 0.00 -1.01 0.00 0.00 57.07 55.71 2k8s s TYR 31 Cb 0.08 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 2k8s s TYR 31 CO 0.84 -0.21 1.66 0.99 -1.11 0.00 0.00 175.55 177.72 2k8s s THR 32 N 1.48 3.63 -0.46 -0.71 2.01 0.99 -4.44 115.64 118.14 2k8s s THR 32 Ca -0.03 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 2k8s s THR 32 Cb -0.13 -4.49 0.03 0.00 0.01 0.00 0.00 72.50 67.92 2k8s s THR 32 CO -0.03 -1.42 0.63 -0.69 -0.69 0.00 0.00 174.62 172.43 2k8s s VAL 33 N 7.51 4.84 -0.19 3.82 1.01 -1.26 0.14 120.40 136.28 2k8s s VAL 33 Ca 0.56 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 2k8s s VAL 33 Cb -0.06 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2k8s s VAL 33 CO 0.03 -0.68 0.03 -0.70 0.00 0.00 0.00 175.10 173.78 2k8s s GLU 34 N 2.76 3.79 -0.12 2.72 2.12 0.61 -4.98 118.70 125.61 2k8s s GLU 34 Ca 0.20 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.97 2k8s s GLU 34 Cb -0.16 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 2k8s s GLU 34 CO 0.16 0.17 0.27 0.42 -0.54 0.00 0.00 175.26 175.74 2k8s s ILE 35 N 0.62 5.30 -0.23 -3.70 1.01 -1.26 -0.34 121.20 122.59 2k8s s ILE 35 Ca 0.01 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.18 2k8s s ILE 35 Cb -0.14 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.78 2k8s s ILE 35 CO 0.02 0.48 -0.13 -0.69 0.00 0.00 0.00 174.94 174.63 2k8s s VAL 36 N -0.20 2.35 -0.50 2.92 1.01 0.13 -4.91 120.40 121.20 2k8s s VAL 36 Ca 0.17 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 2k8s s VAL 36 Cb -0.13 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.10 2k8s s VAL 36 CO 0.06 0.24 0.69 -2.28 0.00 0.00 0.00 175.10 173.81 2k8s s HIS 37 N 1.23 3.00 -0.41 5.22 2.46 -1.26 -1.65 115.29 123.88 2k8s s HIS 37 Ca -0.01 -0.35 0.26 0.00 0.47 0.00 0.00 55.06 55.43 2k8s s HIS 37 Cb -0.17 -3.62 0.99 0.00 -0.13 0.00 0.00 32.58 29.66 2k8s s HIS 37 CO -0.08 -1.07 1.77 -0.07 -2.47 0.00 0.00 174.74 172.82 2k8s h LEU 38 N 9.97 0.00 0.00 8.88 3.38 -0.76 -1.80 115.31 134.98 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 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k8s h LEU 38 CO 0.98 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 180.07 2k8s n GLY 39 N 0.33 -1.58 0.11 0.83 0.00 -1.26 -3.70 105.19 99.92 2k8s n GLY 39 Ca 0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 2k8s n GLY 39 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k8s h THR 40 N 0.00 1.28 -3.56 2.61 2.02 -1.67 -3.47 112.91 110.13 2k8s h THR 40 Ca 0.00 -2.44 -0.30 0.00 0.77 0.00 0.00 66.41 64.44 2k8s h THR 40 Cb 0.61 2.94 -0.33 0.00 -1.74 0.00 0.00 68.15 69.63 2k8s h THR 40 CO 0.00 0.68 -0.73 -0.62 0.37 0.00 0.00 175.52 175.21 2k8s s ASP 41 N -6.93 0.18 0.36 4.18 2.15 -1.23 -5.03 116.67 110.35 2k8s s ASP 41 Ca -0.18 0.01 0.19 0.00 0.43 0.00 0.00 52.55 53.00 2k8s s ASP 41 Cb 0.02 -0.10 0.38 0.00 -0.30 0.00 0.00 42.92 42.93 2k8s s ASP 41 CO 0.78 -0.09 1.59 0.11 -0.17 0.00 0.00 175.17 177.39 2k8s h LYS 42 N 7.04 0.00 0.00 4.34 1.57 -1.91 -3.11 116.57 124.50 2k8s h LYS 42 Ca -0.41 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 2k8s h LYS 42 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2k8s h LYS 42 CO 0.49 0.34 -0.48 0.00 -0.57 0.00 0.00 179.45 179.23 2k8s h ALA 43 N 1.66 1.06 0.00 3.86 0.00 -1.95 -2.35 119.26 121.54 2k8s h ALA 43 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k8s h ALA 43 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k8s h ALA 43 CO 0.04 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2k8s h ARG 44 N 0.00 0.00 -0.61 0.00 3.08 -1.92 -2.92 114.38 112.02 2k8s h ARG 44 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2k8s h ARG 44 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2k8s h ARG 44 CO 0.06 0.00 0.14 0.82 -1.07 0.00 0.00 179.97 179.92 2k8s h ILE 45 N 0.00 1.24 -0.67 2.04 2.04 -1.50 -1.71 117.51 118.95 2k8s h ILE 45 Ca 0.00 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 2k8s h ILE 45 Cb 0.67 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2k8s h ILE 45 CO 0.00 0.34 0.22 0.00 0.00 0.00 0.00 178.15 178.71 2k8s h ALA 46 N 1.24 1.12 -0.27 1.87 0.00 -1.60 -1.93 119.26 119.69 2k8s h ALA 46 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k8s h ALA 46 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k8s h ALA 46 CO 0.00 0.61 0.07 0.93 0.00 0.00 0.00 179.25 180.86 2k8s h GLU 47 N 0.99 0.38 -0.28 0.00 5.08 -1.42 -1.11 114.58 118.23 2k8s h GLU 47 Ca 0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2k8s h GLU 47 Cb 0.27 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k8s h GLU 47 CO -0.01 0.36 0.12 0.00 -1.00 0.00 0.00 179.01 178.48 2k8s h ALA 48 N 1.70 0.36 -0.32 3.43 0.00 -0.55 -0.75 119.26 123.13 2k8s h ALA 48 Ca 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k8s h ALA 48 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k8s h ALA 48 CO -0.00 -0.05 0.03 0.93 0.00 0.00 0.00 179.25 180.15 2k8s h GLU 49 N 0.30 0.48 -0.66 0.00 5.08 -1.09 0.23 114.58 118.94 2k8s h GLU 49 Ca 0.09 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2k8s h GLU 49 Cb 0.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2k8s h GLU 49 CO -0.01 0.49 0.11 0.87 -1.00 0.00 0.00 179.01 179.47 2k8s h LYS 50 N 0.47 1.07 0.00 2.33 1.57 -0.78 -2.65 116.57 118.58 2k8s h LYS 50 Ca 0.11 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2k8s h LYS 50 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k8s h LYS 50 CO 0.00 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 2k8s h ALA 51 N 1.10 1.00 0.00 3.86 0.00 -0.55 -3.47 119.26 121.21 2k8s h ALA 51 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2k8s h ALA 51 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k8s h ALA 51 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2k8s n GLY 52 N 0.79 1.48 3.60 0.00 0.00 -0.40 -4.78 105.19 105.87 2k8s n GLY 52 Ca 0.03 0.00 -0.42 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 -2.00 4.65 -0.09 1.61 1.01 0.68 -4.88 120.40 121.38 2k8s s VAL 53 Ca 0.00 1.09 0.21 0.00 0.00 0.00 0.00 61.98 63.28 2k8s s VAL 53 Cb 0.00 -4.28 -0.27 0.00 0.00 0.00 0.00 36.38 31.83 2k8s s VAL 53 CO 0.00 -0.48 0.49 0.29 0.00 0.00 0.00 175.10 175.40 2k8s n LYS 54 N 6.62 0.66 -3.94 2.72 5.02 -1.26 -4.22 118.16 123.74 2k8s n LYS 54 Ca 0.06 -0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 2k8s n LYS 54 Cb 0.48 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 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 -4.87 0.12 0.05 4.39 0.01 -1.26 -0.13 113.70 112.00 2k8s s SER 55 Ca -0.07 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 56.45 2k8s s SER 55 Cb 0.12 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 2k8s s SER 55 CO 0.88 -0.80 -0.25 0.68 0.41 0.00 0.00 173.24 174.15 2k8s s VAL 56 N -3.93 2.27 0.45 3.43 -7.23 0.77 -3.95 120.40 112.20 2k8s s VAL 56 Ca 0.13 -1.36 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2k8s s VAL 56 Cb 0.04 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 2k8s s VAL 56 CO -0.04 0.36 0.80 -2.16 -0.31 0.00 0.00 175.10 173.74 2k8s s PRO 57 N -1.29 3.70 -0.03 4.82 0.04 -1.26 -2.53 135.00 138.45 2k8s s PRO 57 Ca 0.12 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.59 2k8s s PRO 57 Cb -0.10 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.10 2k8s s PRO 57 CO 0.03 -0.13 -0.01 0.00 0.04 0.00 0.00 177.00 176.93 2k8s s ALA 58 N -2.54 0.33 -0.41 8.56 0.00 0.59 -0.46 121.76 127.83 2k8s s ALA 58 Ca 0.51 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 2k8s s ALA 58 Cb -0.10 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.77 2k8s s ALA 58 CO 0.37 -0.05 0.28 -1.17 0.00 0.00 0.00 175.76 175.19 2k8s s LEU 59 N 0.88 5.10 -0.49 0.00 0.20 0.12 -0.32 118.68 124.17 2k8s s LEU 59 Ca -0.09 -1.20 -0.22 0.00 0.69 0.00 0.00 54.13 53.30 2k8s s LEU 59 Cb -0.12 -2.07 0.04 0.00 -0.43 0.00 0.00 46.19 43.61 2k8s s LEU 59 CO -0.01 -0.50 0.76 -0.69 -0.29 0.00 0.00 176.35 175.62 2k8s s VAL 60 N 1.55 4.67 -0.42 1.68 1.01 0.12 -0.13 120.40 128.89 2k8s s VAL 60 Ca 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2k8s s VAL 60 Cb -0.21 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 31.87 2k8s s VAL 60 CO 0.06 -0.82 0.28 -0.63 0.00 0.00 0.00 175.10 173.99 2k8s s ILE 61 N 3.22 4.67 -1.56 2.22 1.01 0.11 -0.28 121.20 130.58 2k8s s ILE 61 Ca 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2k8s s ILE 61 Cb -0.14 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2k8s s ILE 61 CO 0.19 -0.43 0.00 0.47 0.00 0.00 0.00 174.94 175.17 2k8s n ASP 62 N 5.03 -5.22 0.00 3.58 8.00 -1.05 -1.14 116.55 125.75 2k8s n ASP 62 Ca -0.11 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.46 2k8s n ASP 62 Cb 0.44 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 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 -0.91 2.82 3.56 0.44 0.00 -1.26 -5.05 105.19 104.79 2k8s n GLY 63 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.60 3.34 -0.51 4.61 0.00 -0.29 -4.93 121.76 121.36 2k8s s ALA 64 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 50.87 2k8s s ALA 64 Cb 0.00 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2k8s s ALA 64 CO 0.00 -1.77 0.91 0.00 0.00 0.00 0.00 175.76 174.90 2k8s s ALA 65 N 3.27 3.20 -0.53 0.00 0.00 -1.26 0.04 121.76 126.48 2k8s s ALA 65 Ca 0.31 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 2k8s s ALA 65 Cb -0.12 -3.67 0.10 0.00 0.00 0.00 0.00 23.12 19.42 2k8s s ALA 65 CO 0.21 -2.24 0.53 -0.06 0.00 0.00 0.00 175.76 174.21 2k8s s PHE 66 N 3.79 3.16 0.09 0.00 0.08 0.82 -4.86 117.98 121.06 2k8s s PHE 66 Ca 0.32 -1.00 -0.31 0.00 0.12 0.00 0.00 56.93 56.06 2k8s s PHE 66 Cb -0.12 -3.63 -0.07 0.00 -0.57 0.00 0.00 43.02 38.63 2k8s s PHE 66 CO 0.21 -1.02 1.39 -1.01 -0.10 0.00 0.00 175.22 174.69 2k8s s HIS 67 N 2.01 3.17 -0.52 0.36 3.76 -1.26 0.11 115.29 122.91 2k8s s HIS 67 Ca 0.07 0.93 -0.07 0.00 -0.15 0.00 0.00 55.06 55.84 2k8s s HIS 67 Cb -0.25 -3.67 0.14 0.00 1.11 0.00 0.00 32.58 29.90 2k8s s HIS 67 CO 0.06 -2.37 0.38 0.42 -0.85 0.00 0.00 174.74 172.38 2k8s s ILE 68 N 1.36 4.06 0.08 0.60 1.01 0.39 -4.86 121.20 123.84 2k8s s ILE 68 Ca 0.64 -2.15 0.00 0.00 0.00 0.00 0.00 60.65 59.14 2k8s s ILE 68 Cb -0.36 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2k8s s ILE 68 CO 0.30 -0.81 0.00 0.59 0.00 0.00 0.00 174.94 175.02 2k8s n ASN 69 N 4.46 -6.05 -4.55 3.58 3.02 -1.26 -4.19 115.26 110.27 2k8s n ASN 69 Ca -0.01 0.87 -0.32 0.00 -0.03 0.00 0.00 54.58 55.08 2k8s n ASN 69 Cb 0.41 -3.32 -0.04 0.00 -0.61 0.00 0.00 39.78 36.21 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 -0.31 1.65 -0.07 3.10 5.36 -1.26 -4.08 117.98 122.37 2k8s s PHE 70 Ca 0.00 0.84 -0.06 0.00 -0.96 0.00 0.00 56.93 56.75 2k8s s PHE 70 Cb 0.00 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.66 2k8s s PHE 70 CO 0.00 -2.06 -0.11 0.41 -1.46 0.00 0.00 175.22 172.00 2k8s n GLY 71 N 6.24 -0.69 2.86 13.12 0.00 -1.10 -5.02 105.19 120.59 2k8s n GLY 71 Ca 0.31 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.89 0.07 0.41 4.61 0.00 -1.05 -5.01 121.76 117.90 2k8s s ALA 72 Ca -0.09 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.70 2k8s s ALA 72 Cb 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 22.96 2k8s s ALA 72 CO 0.13 -0.01 0.93 0.20 0.00 0.00 0.00 175.76 177.01 2k8s s GLY 73 N 0.23 2.43 0.37 0.00 0.00 -1.26 -0.17 107.32 108.92 2k8s s GLY 73 Ca -0.02 0.39 0.16 0.00 0.00 0.00 0.00 44.72 45.25 2k8s s GLY 73 CO -0.01 0.68 1.79 1.19 0.00 0.00 0.00 173.10 176.75 2k8s h ILE 74 N 1.99 1.09 -0.16 0.90 2.10 -0.84 -1.97 117.51 120.61 2k8s h ILE 74 Ca -0.49 -1.40 -0.10 0.00 1.08 0.00 0.00 64.86 63.95 2k8s h ILE 74 Cb 1.18 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 38.69 2k8s h ILE 74 CO 0.62 0.37 -0.35 -0.78 -1.08 0.00 0.00 178.15 176.93 2k8s h ASP 75 N 0.00 0.34 1.22 2.19 3.58 -1.93 -2.42 116.42 119.40 2k8s h ASP 75 Ca -0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2k8s h ASP 75 Cb 0.77 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2k8s h ASP 75 CO 0.05 0.67 0.00 0.44 -2.88 0.00 0.00 179.24 177.52 2k8s h ASP 76 N 0.28 0.00 1.67 2.28 5.19 -1.73 -2.89 116.42 121.23 2k8s h ASP 76 Ca 0.03 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 2k8s h ASP 76 Cb 0.76 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 2k8s h ASP 76 CO 0.06 0.00 -0.32 -0.07 -3.12 0.00 0.00 179.24 175.79 2k8s h LEU 77 N 0.00 0.00-10.44 1.55 3.38 -1.16 -3.46 115.31 105.18 2k8s h LEU 77 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2k8s h LEU 77 Cb 0.61 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.43 2k8s h LEU 77 CO 0.00 0.32 0.34 -0.54 0.09 0.00 0.00 178.44 178.64 2k8s s LYS 78 N -3.06 3.03 -0.10 1.13 1.02 -1.09 -5.04 119.74 115.63 2k8s s LYS 78 Ca 0.05 0.37 -0.10 0.00 0.02 0.00 0.00 55.97 56.32 2k8s s LYS 78 Cb 0.07 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 2k8s s LYS 78 CO 0.72 -0.83 -0.21 0.41 -0.92 0.00 0.00 175.35 174.52 2k8s n GLY 79 N -2.82 -0.31 0.00 -3.33 0.00 -1.26 -5.04 105.19 92.43 2k8s n GLY 79 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k8s n GLY 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18