#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 1.13 0.00 3.49 0.00 -1.26 -3.90 119.74 119.20 2k8m s LYS 2 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 55.97 55.48 2k8m s LYS 2 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 37.83 36.74 2k8m s LYS 2 CO 0.00 0.30 0.87 -0.11 0.00 0.00 0.00 175.35 176.41 2k8m n LEU 3 N 2.75 0.00 0.00 2.77 7.94 0.01 -4.28 117.00 126.19 2k8m n LEU 3 Ca -0.14 -0.98 0.00 0.00 -1.11 0.00 0.00 56.01 53.78 2k8m n LEU 3 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2k8m n LEU 3 CO 0.24 0.41 0.00 0.61 -1.11 0.00 0.00 177.39 177.55 2k8m n GLY 4 N 0.00 0.16 3.08 -3.96 0.00 -1.25 -4.26 105.19 98.96 2k8m n GLY 4 Ca 0.00 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2k8m n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8m s LYS 5 N 0.00 0.58 -0.06 1.61 1.02 -1.10 -1.08 119.74 120.71 2k8m s LYS 5 Ca 0.00 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 54.86 2k8m s LYS 5 Cb 0.00 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.53 2k8m s LYS 5 CO 0.00 -0.11 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.06 2k8m s LEU 6 N -2.77 1.47 -0.14 3.17 0.20 0.19 -0.96 118.68 119.85 2k8m s LEU 6 Ca 0.05 -0.23 -0.16 0.00 0.69 0.00 0.00 54.13 54.47 2k8m s LEU 6 Cb 0.06 -0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 45.10 2k8m s LEU 6 CO -0.09 -0.01 0.39 -1.10 -0.29 0.00 0.00 176.35 175.24 2k8m s GLN 7 N 0.86 4.30 0.06 1.98 -1.52 -0.19 -1.04 119.66 124.11 2k8m s GLN 7 Ca -0.12 0.27 -0.14 0.00 -1.95 0.00 0.00 55.36 53.43 2k8m s GLN 7 Cb -0.15 -3.43 0.02 0.00 -0.22 0.00 0.00 33.01 29.23 2k8m s GLN 7 CO 0.01 0.20 0.31 1.52 -0.25 0.00 0.00 175.29 177.08 2k8m s TYR 8 N 0.54 -0.09 -0.19 0.91 1.13 -1.20 -0.04 117.35 118.41 2k8m s TYR 8 Ca 0.21 -0.12 -0.02 0.00 -1.41 0.00 0.00 57.07 55.73 2k8m s TYR 8 Cb -0.14 0.10 0.06 0.00 -1.10 0.00 0.00 41.96 40.88 2k8m s TYR 8 CO 0.07 -0.55 0.01 -1.54 -2.51 0.00 0.00 175.55 171.04 2k8m s SER 9 N -2.31 2.95 -0.25 -0.18 1.04 0.03 -2.96 113.70 112.02 2k8m s SER 9 Ca -0.02 -0.81 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 2k8m s SER 9 Cb 0.01 -0.70 -0.00 0.00 0.10 0.00 0.00 66.02 65.42 2k8m s SER 9 CO -0.06 -0.28 0.01 -0.76 0.98 0.00 0.00 173.24 173.13 2k8m s LEU 10 N 1.78 3.28 0.00 2.42 1.43 0.25 -2.65 118.68 125.18 2k8m s LEU 10 Ca -0.01 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2k8m s LEU 10 Cb -0.17 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2k8m s LEU 10 CO -0.07 -0.08 0.09 -0.90 0.23 0.00 0.00 176.35 175.61 2k8m n ASP 11 N 4.83 2.72 -3.99 2.29 5.75 -0.90 -0.03 116.55 127.21 2k8m n ASP 11 Ca -0.17 -2.45 -0.08 0.00 -0.01 0.00 0.00 54.79 52.09 2k8m n ASP 11 Cb 0.50 0.16 -0.09 0.00 -1.03 0.00 0.00 41.12 40.65 2k8m n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2k8m s TYR 12 N -2.12 0.34 -0.01 2.11 1.13 -1.26 -0.13 117.35 117.40 2k8m s TYR 12 Ca 0.07 -0.78 0.02 0.00 -1.41 0.00 0.00 57.07 54.97 2k8m s TYR 12 Cb -0.01 -0.24 -0.00 0.00 -1.10 0.00 0.00 41.96 40.61 2k8m s TYR 12 CO 0.04 -0.40 -0.06 0.34 -2.51 0.00 0.00 175.55 172.96 2k8m s ASP 13 N -2.59 0.76 0.00 -0.18 -1.08 -0.34 -4.90 116.67 108.33 2k8m s ASP 13 Ca 0.02 -0.12 0.16 0.00 -0.52 0.00 0.00 52.55 52.10 2k8m s ASP 13 Cb 0.04 -0.12 0.02 0.00 -1.46 0.00 0.00 42.92 41.40 2k8m s ASP 13 CO -0.08 0.07 0.89 2.22 0.52 0.00 0.00 175.17 178.78 2k8m n PHE 14 N 3.03 0.00 0.03 -5.34 1.16 -1.26 -1.25 117.46 113.83 2k8m n PHE 14 Ca -0.14 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.31 2k8m n PHE 14 Cb 0.57 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 2k8m n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k8m h GLN 15 N 2.04 0.52 -0.00 3.97 3.07 -1.96 -3.24 115.11 119.51 2k8m h GLN 15 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2k8m h GLN 15 Cb 0.58 0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.23 2k8m h GLN 15 CO 0.00 1.07 -0.30 0.27 0.09 0.00 0.00 178.83 179.96 2k8m n ASN 16 N -3.86 0.78 -3.17 0.06 0.23 -1.26 -5.04 115.26 103.00 2k8m n ASN 16 Ca -0.05 -0.89 -0.12 0.00 -0.53 0.00 0.00 54.58 52.99 2k8m n ASN 16 Cb 0.73 0.73 0.01 0.00 -2.08 0.00 0.00 39.78 39.17 2k8m n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k8m n ASN 17 N -0.74 -7.09 -3.76 0.53 2.85 -1.02 -4.94 115.26 101.09 2k8m n ASN 17 Ca 0.03 -0.03 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 2k8m n ASN 17 Cb 0.16 -4.29 -0.03 0.00 1.24 0.00 0.00 39.78 36.87 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8m s GLN 18 N -3.11 1.59 -0.16 1.20 1.03 -0.38 -3.60 119.66 116.22 2k8m s GLN 18 Ca 0.13 -0.88 -0.06 0.00 0.04 0.00 0.00 55.36 54.59 2k8m s GLN 18 Cb -0.03 0.58 -0.04 0.00 0.03 0.00 0.00 33.01 33.55 2k8m s GLN 18 CO 0.80 -0.71 0.04 -0.51 -2.54 0.00 0.00 175.29 172.36 2k8m s LEU 19 N -2.89 3.70 -0.74 2.60 1.43 -1.06 -1.20 118.68 120.53 2k8m s LEU 19 Ca 0.10 0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 2k8m s LEU 19 Cb -0.04 -1.92 0.10 0.00 0.03 0.00 0.00 46.19 44.36 2k8m s LEU 19 CO 0.01 0.20 0.98 -0.22 0.23 0.00 0.00 176.35 177.56 2k8m s LEU 20 N 0.18 4.76 -0.72 1.79 1.98 0.82 -1.20 118.68 126.28 2k8m s LEU 20 Ca 0.03 -1.41 -0.23 0.00 -2.89 0.00 0.00 54.13 49.63 2k8m s LEU 20 Cb -0.13 -2.39 0.07 0.00 0.66 0.00 0.00 46.19 44.40 2k8m s LEU 20 CO 0.01 -1.27 1.07 -0.69 -1.89 0.00 0.00 176.35 173.58 2k8m s VAL 21 N 3.40 4.22 -0.37 1.68 1.01 -0.48 -2.13 120.40 127.73 2k8m s VAL 21 Ca 0.24 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2k8m s VAL 21 Cb -0.14 -4.76 0.11 0.00 0.00 0.00 0.00 36.38 31.59 2k8m s VAL 21 CO 0.03 -1.57 0.12 -0.83 0.00 0.00 0.00 175.10 172.86 2k8m s GLY 22 N 3.75 1.97 0.22 4.51 0.00 -1.08 -0.23 107.32 116.45 2k8m s GLY 22 Ca 0.27 -2.55 -0.16 0.00 0.00 0.00 0.00 44.72 42.28 2k8m s GLY 22 CO 0.08 0.98 0.65 -0.26 0.00 0.00 0.00 173.10 174.55 2k8m s ILE 23 N 1.00 4.73 -0.08 0.90 -0.00 -1.18 -0.79 121.20 125.77 2k8m s ILE 23 Ca 0.10 0.98 -0.05 0.00 -0.00 0.00 0.00 60.65 61.68 2k8m s ILE 23 Cb -0.21 -3.75 -0.02 0.00 -0.00 0.00 0.00 42.46 38.49 2k8m s ILE 23 CO -0.06 0.12 -0.10 -0.38 -0.00 0.00 0.00 174.94 174.51 2k8m n ILE 24 N 0.46 0.79 -3.81 8.37 5.41 0.94 -3.12 119.36 128.40 2k8m n ILE 24 Ca -0.02 0.34 -0.04 0.00 1.00 0.00 0.00 62.75 64.03 2k8m n ILE 24 Cb 0.52 -1.99 -0.00 0.00 -0.71 0.00 0.00 39.64 37.45 2k8m n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k8m s GLN 25 N -1.70 1.43 0.06 0.38 1.03 -1.16 -2.25 119.66 117.44 2k8m s GLN 25 Ca -0.09 -0.85 0.06 0.00 0.04 0.00 0.00 55.36 54.53 2k8m s GLN 25 Cb 0.01 0.45 -0.03 0.00 0.03 0.00 0.00 33.01 33.48 2k8m s GLN 25 CO 0.13 -0.66 -0.17 0.00 -2.54 0.00 0.00 175.29 172.04 2k8m s ALA 26 N -2.96 1.46 0.13 2.60 0.00 -1.25 -1.02 121.76 120.72 2k8m s ALA 26 Ca 0.15 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2k8m s ALA 26 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2k8m s ALA 26 CO 0.05 0.29 -0.12 0.00 0.00 0.00 0.00 175.76 175.97 2k8m s ALA 27 N -0.97 1.44 -1.26 0.00 0.00 -0.13 -3.84 121.76 117.01 2k8m s ALA 27 Ca 0.04 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 2k8m s ALA 27 Cb -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2k8m s ALA 27 CO 0.02 0.01 0.67 0.39 0.00 0.00 0.00 175.76 176.86 2k8m n GLU 28 N 0.26 -4.99 -2.38 0.00 1.02 -1.23 -2.73 120.64 110.59 2k8m n GLU 28 Ca -0.14 0.75 -0.37 0.00 -0.02 0.00 0.00 57.16 57.38 2k8m n GLU 28 Cb 0.58 -5.34 -0.02 0.00 -0.02 0.00 0.00 31.44 26.64 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8m s LEU 29 N -5.89 4.06 0.70 -4.62 1.43 -1.19 -4.05 118.68 109.11 2k8m s LEU 29 Ca 0.33 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 2k8m s LEU 29 Cb -0.15 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 41.86 2k8m s LEU 29 CO 0.41 -0.73 1.06 -2.16 0.23 0.00 0.00 176.35 175.16 2k8m s PRO 30 N -2.63 2.93 -0.08 1.29 0.04 -1.26 -4.86 135.00 130.43 2k8m s PRO 30 Ca 0.61 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 2k8m s PRO 30 Cb -0.25 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2k8m s PRO 30 CO 0.31 -1.08 0.40 0.00 0.04 0.00 0.00 177.00 176.67 2k8m s ALA 31 N -3.09 3.60 0.00 8.56 0.00 -1.26 -4.59 121.76 124.98 2k8m s ALA 31 Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2k8m s ALA 31 Cb -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2k8m s ALA 31 CO 0.55 0.22 0.00 -0.11 0.00 0.00 0.00 175.76 176.42 2k8m n LEU 32 N 2.89 0.01 -4.74 0.00 -0.00 -1.13 -4.95 117.00 109.08 2k8m n LEU 32 Ca -0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.57 2k8m n LEU 32 Cb 0.52 -0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.03 2k8m n LEU 32 CO 0.40 -0.02 0.74 -0.62 -0.00 0.00 0.00 177.39 177.89 2k8m s ASP 33 N -5.01 4.36 -1.46 1.96 2.15 -0.04 -4.87 116.67 113.75 2k8m s ASP 33 Ca 0.00 2.10 -0.13 0.00 0.43 0.00 0.00 52.55 54.95 2k8m s ASP 33 Cb 0.00 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2k8m s ASP 33 CO 0.00 -2.14 2.49 0.80 -0.17 0.00 0.00 175.17 176.15 2k8m n MET 34 N -3.03 3.07 -0.09 4.34 0.00 -1.26 -3.32 117.12 116.83 2k8m n MET 34 Ca 0.11 -2.35 0.00 0.00 -0.00 0.00 0.00 57.70 55.46 2k8m n MET 34 Cb 0.52 -3.04 0.00 0.00 0.00 0.00 0.00 33.22 30.69 2k8m n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k8m n GLY 35 N 3.91 0.59 2.15 -5.12 0.00 -1.26 -4.98 105.19 100.47 2k8m n GLY 35 Ca 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.61 2k8m n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 36 N 0.00 0.63 3.36 -0.02 0.00 -1.21 -5.00 105.19 102.95 2k8m n GLY 36 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 2k8m n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8m s THR 37 N -2.06 0.00 0.25 2.61 -4.23 -1.26 -4.82 115.64 106.13 2k8m s THR 37 Ca 0.00 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 2k8m s THR 37 Cb 0.00 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 2k8m s THR 37 CO 0.00 0.00 0.36 -0.44 -0.54 0.00 0.00 174.62 174.00 2k8m s SER 38 N -3.24 0.20 -0.69 3.99 0.01 -1.26 -0.86 113.70 111.85 2k8m s SER 38 Ca 0.35 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.47 2k8m s SER 38 Cb 0.02 0.53 0.25 0.00 0.21 0.00 0.00 66.02 67.04 2k8m s SER 38 CO 0.19 -1.07 0.81 0.47 0.41 0.00 0.00 173.24 174.06 2k8m n ASP 39 N -0.55 4.01 -4.66 2.44 9.92 -1.26 -0.77 116.55 125.69 2k8m n ASP 39 Ca 0.00 -3.44 -0.40 0.00 -0.53 0.00 0.00 54.79 50.43 2k8m n ASP 39 Cb 0.63 -0.73 -0.07 0.00 -0.64 0.00 0.00 41.12 40.31 2k8m n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k8m s PRO 40 N -2.48 4.18 0.15 -0.24 0.04 -1.23 -0.39 135.00 135.04 2k8m s PRO 40 Ca 0.39 0.46 0.09 0.00 0.04 0.00 0.00 61.00 61.98 2k8m s PRO 40 Cb 0.13 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2k8m s PRO 40 CO -0.00 -0.20 -0.21 1.52 0.04 0.00 0.00 177.00 178.15 2k8m s TYR 41 N 1.80 1.95 -0.16 0.56 -0.85 0.98 -4.30 117.35 117.33 2k8m s TYR 41 Ca 0.25 -0.42 -0.11 0.00 -0.52 0.00 0.00 57.07 56.27 2k8m s TYR 41 Cb -0.16 -1.00 -0.05 0.00 0.38 0.00 0.00 41.96 41.13 2k8m s TYR 41 CO 0.10 0.34 0.19 0.14 -1.52 0.00 0.00 175.55 174.79 2k8m s VAL 42 N -1.66 5.38 -0.04 -3.49 -7.23 -1.26 0.03 120.40 112.13 2k8m s VAL 42 Ca 0.14 0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.68 2k8m s VAL 42 Cb -0.08 -3.51 -0.00 0.00 0.56 0.00 0.00 36.38 33.35 2k8m s VAL 42 CO 0.07 0.47 -0.18 -1.59 -0.31 0.00 0.00 175.10 173.56 2k8m s LYS 43 N 0.03 1.81 -0.35 4.82 -2.85 0.11 -3.05 119.74 120.26 2k8m s LYS 43 Ca 0.13 -0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 54.17 2k8m s LYS 43 Cb -0.12 -1.59 0.02 0.00 -2.06 0.00 0.00 37.83 34.08 2k8m s LYS 43 CO 0.02 0.27 1.16 0.14 0.10 0.00 0.00 175.35 177.04 2k8m s VAL 44 N -0.03 4.32 -0.66 1.79 -7.23 -1.19 -1.43 120.40 115.96 2k8m s VAL 44 Ca -0.03 1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 61.54 2k8m s VAL 44 Cb -0.11 -4.38 0.17 0.00 0.56 0.00 0.00 36.38 32.62 2k8m s VAL 44 CO 0.02 -0.61 0.52 0.12 -0.31 0.00 0.00 175.10 174.84 2k8m s PHE 45 N 4.10 3.52 0.79 2.82 5.36 0.11 -4.54 117.98 130.14 2k8m s PHE 45 Ca 0.50 -2.38 -0.12 0.00 -0.96 0.00 0.00 56.93 53.96 2k8m s PHE 45 Cb -0.12 -3.43 0.07 0.00 -0.34 0.00 0.00 43.02 39.19 2k8m s PHE 45 CO 0.22 -0.91 1.14 -0.51 -1.46 0.00 0.00 175.22 173.70 2k8m s LEU 46 N 0.21 2.58 0.00 6.12 2.01 -1.26 -3.21 118.68 125.13 2k8m s LEU 46 Ca 0.16 0.95 0.00 0.00 0.01 0.00 0.00 54.13 55.25 2k8m s LEU 46 Cb -0.18 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.49 2k8m s LEU 46 CO -0.05 -1.81 0.00 0.00 1.01 0.00 0.00 176.35 175.50 2k8m n LEU 47 N -3.28 0.00 0.24 1.79 -0.00 -1.25 -4.74 117.00 109.75 2k8m n LEU 47 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.12 2k8m n LEU 47 Cb 0.59 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.20 2k8m n LEU 47 CO 0.57 -0.69 0.89 -0.65 -0.00 0.00 0.00 177.39 177.51 2k8m h PRO 48 N 0.00 0.00 0.05 1.47 0.11 -1.98 -2.37 132.00 129.28 2k8m h PRO 48 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2k8m h PRO 48 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 2k8m h PRO 48 CO 0.00 0.00 -0.54 0.22 -0.21 0.00 0.00 178.00 177.47 2k8m h ASP 49 N 0.00 -1.64 -2.15 -2.05 3.58 -1.97 -3.45 116.42 108.73 2k8m h ASP 49 Ca 0.00 0.18 -0.27 0.00 0.42 0.00 0.00 57.03 57.36 2k8m h ASP 49 Cb 1.35 0.62 -0.08 0.00 1.72 0.00 0.00 39.33 42.94 2k8m h ASP 49 CO 0.00 -0.54 -0.28 0.29 -2.88 0.00 0.00 179.24 175.83 2k8m n LYS 50 N -5.47 -1.58 -0.88 0.28 4.76 -0.89 -4.82 118.16 109.56 2k8m n LYS 50 Ca -0.08 0.73 -0.18 0.00 -2.87 0.00 0.00 58.31 55.91 2k8m n LYS 50 Cb 0.40 -5.09 0.09 0.00 -1.84 0.00 0.00 35.03 28.59 2k8m n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k8m n LYS 51 N -2.18 1.91 -3.64 1.97 5.02 -1.26 -4.84 118.16 115.14 2k8m n LYS 51 Ca -0.14 -2.01 -0.04 0.00 -2.02 0.00 0.00 58.31 54.10 2k8m n LYS 51 Cb 0.49 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2k8m n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k8m s LYS 52 N -2.26 0.16 -0.29 1.97 -2.85 -1.26 -4.73 119.74 110.48 2k8m s LYS 52 Ca 0.39 0.09 -0.16 0.00 -1.00 0.00 0.00 55.97 55.29 2k8m s LYS 52 Cb 0.32 0.08 0.13 0.00 -2.06 0.00 0.00 37.83 36.29 2k8m s LYS 52 CO 0.04 -0.04 0.89 0.21 0.10 0.00 0.00 175.35 176.55 2k8m s LYS 53 N -0.58 0.48 -0.10 1.78 2.20 -1.26 -4.76 119.74 117.50 2k8m s LYS 53 Ca 0.07 0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 56.44 2k8m s LYS 53 Cb -0.03 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2k8m s LYS 53 CO -0.09 -0.10 0.26 0.12 -0.36 0.00 0.00 175.35 175.17 2k8m s PHE 54 N 1.49 -0.30 -0.18 4.03 5.36 -1.26 -5.04 117.98 122.08 2k8m s PHE 54 Ca -0.09 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 2k8m s PHE 54 Cb -0.04 0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 2k8m s PHE 54 CO -0.17 -0.16 -0.05 -2.00 -1.46 0.00 0.00 175.22 171.38 2k8m s GLU 55 N 0.42 3.49 0.85 10.12 2.12 -1.26 -3.18 118.70 131.27 2k8m s GLU 55 Ca -0.02 -0.59 -0.15 0.00 0.36 0.00 0.00 54.97 54.57 2k8m s GLU 55 Cb -0.04 -2.93 0.20 0.00 0.26 0.00 0.00 34.13 31.62 2k8m s GLU 55 CO -0.02 0.02 1.16 0.25 -0.54 0.00 0.00 175.26 176.13 2k8m n THR 56 N 4.15 0.00 -2.17 -1.70 -2.24 -1.17 -5.01 114.28 106.15 2k8m n THR 56 Ca -0.18 -0.85 -0.41 0.00 -2.27 0.00 0.00 64.05 60.34 2k8m n THR 56 Cb 0.52 -1.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.15 2k8m n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8m s LYS 57 N -5.54 4.38 -0.37 -0.78 2.36 -1.26 -4.91 119.74 113.62 2k8m s LYS 57 Ca 0.66 2.13 -0.28 0.00 -2.55 0.00 0.00 55.97 55.92 2k8m s LYS 57 Cb -0.02 -3.14 -0.02 0.00 -1.05 0.00 0.00 37.83 33.60 2k8m s LYS 57 CO 0.46 -0.23 1.87 0.54 1.55 0.00 0.00 175.35 179.54 2k8m s VAL 58 N -0.36 3.40 -1.22 4.02 0.11 -1.26 -4.73 120.40 120.35 2k8m s VAL 58 Ca 0.54 0.38 -0.14 0.00 -2.93 0.00 0.00 61.98 59.83 2k8m s VAL 58 Cb -0.38 -3.61 0.16 0.00 -1.53 0.00 0.00 36.38 31.02 2k8m s VAL 58 CO 0.43 -0.44 1.48 -1.00 -3.33 0.00 0.00 175.10 172.25 2k8m s HIS 59 N 7.61 3.40 0.17 1.54 0.09 -1.26 -4.99 115.29 121.85 2k8m s HIS 59 Ca 0.80 -2.07 -0.31 0.00 -0.00 0.00 0.00 55.06 53.49 2k8m s HIS 59 Cb -0.21 -4.38 -0.09 0.00 -0.00 0.00 0.00 32.58 27.89 2k8m s HIS 59 CO 0.31 -1.46 1.43 -0.98 -0.00 0.00 0.00 174.74 174.05 2k8m s ARG 60 N 1.97 4.29 -0.64 1.40 1.04 -1.26 -3.48 118.95 122.27 2k8m s ARG 60 Ca 0.44 2.20 -0.12 0.00 -1.04 0.00 0.00 55.73 57.21 2k8m s ARG 60 Cb -0.02 -3.18 0.02 0.00 -2.04 0.00 0.00 34.95 29.73 2k8m s ARG 60 CO 0.01 -0.45 0.64 1.63 -0.04 0.00 0.00 175.30 177.10 2k8m n LYS 61 N 3.34 -1.74 -3.61 3.89 4.76 -0.87 -4.94 118.16 118.99 2k8m n LYS 61 Ca 0.10 1.36 -0.11 0.00 -2.87 0.00 0.00 58.31 56.79 2k8m n LYS 61 Cb 0.41 -3.72 -0.06 0.00 -1.84 0.00 0.00 35.03 29.81 2k8m n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k8m s THR 62 N -2.56 0.00 -0.62 -0.18 -1.32 0.05 -4.86 115.64 106.16 2k8m s THR 62 Ca 0.14 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.68 2k8m s THR 62 Cb -0.02 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.13 2k8m s THR 62 CO 0.83 0.00 1.07 0.18 -2.21 0.00 0.00 174.62 174.49 2k8m n LEU 63 N 1.82 2.37 -3.06 9.08 4.77 -1.26 -4.20 117.00 126.53 2k8m n LEU 63 Ca -0.13 -1.81 -0.16 0.00 -0.03 0.00 0.00 56.01 53.88 2k8m n LEU 63 Cb 0.56 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2k8m n LEU 63 CO 0.07 0.58 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.41 2k8m n ASN 64 N 0.17 -1.67 -4.51 -1.43 5.15 -1.26 -3.16 115.26 108.55 2k8m n ASN 64 Ca 0.06 -2.74 -0.43 0.00 -0.60 0.00 0.00 54.58 50.88 2k8m n ASN 64 Cb 0.32 0.52 -0.04 0.00 -0.53 0.00 0.00 39.78 40.05 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k8m s PRO 65 N 0.19 3.28 -0.36 1.20 0.04 -1.25 -4.96 135.00 133.14 2k8m s PRO 65 Ca 0.32 -0.37 -0.17 0.00 0.04 0.00 0.00 61.00 60.83 2k8m s PRO 65 Cb 0.08 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.52 2k8m s PRO 65 CO -0.15 -1.59 0.44 0.14 0.04 0.00 0.00 177.00 175.88 2k8m s VAL 66 N 4.08 5.09 0.00 -0.36 -7.23 -1.26 -3.96 120.40 116.76 2k8m s VAL 66 Ca 0.29 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 2k8m s VAL 66 Cb -0.13 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.90 2k8m s VAL 66 CO 0.17 -0.19 0.00 0.49 -0.31 0.00 0.00 175.10 175.26 2k8m n PHE 67 N 5.57 -0.07 -2.91 2.82 3.01 -1.21 -5.08 117.46 119.58 2k8m n PHE 67 Ca -0.07 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.33 2k8m n PHE 67 Cb 0.49 0.09 0.03 0.00 -0.01 0.00 0.00 39.48 40.08 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k8m n ASN 68 N -1.69 -6.51 -4.82 4.37 5.15 -0.95 -5.00 115.26 105.80 2k8m n ASN 68 Ca 0.00 -0.32 -0.38 0.00 -0.60 0.00 0.00 54.58 53.28 2k8m n ASN 68 Cb 0.00 -4.63 -0.06 0.00 -0.53 0.00 0.00 39.78 34.57 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -3.56 4.07 -0.14 1.20 2.02 -1.18 -4.90 118.70 116.21 2k8m s GLU 69 Ca 0.18 0.59 -0.06 0.00 0.02 0.00 0.00 54.97 55.71 2k8m s GLU 69 Cb -0.02 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2k8m s GLU 69 CO 0.64 0.63 0.06 -1.14 0.02 0.00 0.00 175.26 175.48 2k8m s GLN 70 N -1.23 3.61 -0.09 1.61 0.74 -1.26 -3.13 119.66 119.91 2k8m s GLN 70 Ca 0.29 -0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.42 2k8m s GLN 70 Cb -0.18 -3.10 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 2k8m s GLN 70 CO 0.17 0.49 -0.21 0.12 -0.55 0.00 0.00 175.29 175.32 2k8m s PHE 71 N -0.26 2.59 -0.51 1.67 5.36 0.68 -5.00 117.98 122.51 2k8m s PHE 71 Ca 0.08 -0.77 -0.21 0.00 -0.96 0.00 0.00 56.93 55.07 2k8m s PHE 71 Cb -0.12 -1.70 0.05 0.00 -0.34 0.00 0.00 43.02 40.91 2k8m s PHE 71 CO 0.01 -0.25 0.74 0.99 -1.46 0.00 0.00 175.22 175.25 2k8m s THR 72 N 0.08 4.70 -0.99 0.12 2.01 -1.26 -1.39 115.64 118.91 2k8m s THR 72 Ca -0.09 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.57 2k8m s THR 72 Cb -0.15 -4.36 0.02 0.00 0.01 0.00 0.00 72.50 68.01 2k8m s THR 72 CO 0.06 -0.87 1.59 0.12 -0.69 0.00 0.00 174.62 174.82 2k8m s PHE 73 N 3.12 2.34 -1.17 4.92 2.19 -0.34 -4.91 117.98 124.14 2k8m s PHE 73 Ca 0.22 -0.45 -0.23 0.00 0.33 0.00 0.00 56.93 56.80 2k8m s PHE 73 Cb -0.16 -4.52 -0.09 0.00 -1.31 0.00 0.00 43.02 36.94 2k8m s PHE 73 CO 0.16 -1.88 1.94 0.15 1.83 0.00 0.00 175.22 177.41 2k8m s LYS 74 N 5.52 2.47 -0.29 10.12 -0.14 -1.26 -2.56 119.74 133.60 2k8m s LYS 74 Ca 0.53 -1.10 -0.15 0.00 -1.36 0.00 0.00 55.97 53.89 2k8m s LYS 74 Cb -0.02 -5.23 0.13 0.00 -1.68 0.00 0.00 37.83 31.03 2k8m s LYS 74 CO -0.07 -3.98 0.85 0.08 -0.76 0.00 0.00 175.35 171.47 2k8m s VAL 75 N 11.08 -0.24 0.62 3.17 1.01 -1.26 -4.85 120.40 129.92 2k8m s VAL 75 Ca 0.69 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 2k8m s VAL 75 Cb -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2k8m s VAL 75 CO 0.12 0.00 1.26 -2.84 0.00 0.00 0.00 175.10 173.64 2k8m s PRO 76 N 1.85 2.78 0.64 2.72 0.02 -1.24 -4.15 135.00 137.62 2k8m s PRO 76 Ca -0.08 1.96 0.43 0.00 0.02 0.00 0.00 61.00 63.33 2k8m s PRO 76 Cb -0.06 -1.90 2.29 0.00 0.02 0.00 0.00 34.50 34.85 2k8m s PRO 76 CO -0.17 -1.39 2.31 0.10 -0.33 0.00 0.00 177.00 177.51 2k8m h TYR 77 N 0.75 0.00 0.00 6.54 -0.00 -1.94 0.11 116.97 122.43 2k8m h TYR 77 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.17 2k8m h TYR 77 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.04 2k8m h TYR 77 CO 0.44 0.00 -0.27 0.77 -0.00 0.00 0.00 178.16 179.10 2k8m h SER 78 N 0.00 0.00 -0.02 0.10 0.02 -1.98 -2.66 113.55 109.00 2k8m h SER 78 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k8m h SER 78 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2k8m h SER 78 CO 0.00 0.27 -0.09 -0.62 -1.14 0.00 0.00 176.83 175.25 2k8m n GLU 79 N -3.63 1.49 -0.10 3.45 1.02 -0.02 -4.48 120.64 118.37 2k8m n GLU 79 Ca -0.01 -1.35 -0.00 0.00 -0.02 0.00 0.00 57.16 55.77 2k8m n GLU 79 Cb 0.39 -1.32 0.27 0.00 -0.02 0.00 0.00 31.44 30.76 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k8m h LEU 80 N 3.02 0.69 -2.02 -4.62 6.46 -1.07 -2.44 115.31 115.33 2k8m h LEU 80 Ca 0.00 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2k8m h LEU 80 Cb 0.69 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2k8m h LEU 80 CO 0.00 0.62 0.03 1.23 -0.62 0.00 0.00 178.44 179.69 2k8m h GLY 81 N 0.88 0.00 -1.78 3.75 0.00 -1.79 -1.74 103.07 102.39 2k8m h GLY 81 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 2k8m h GLY 81 CO -0.02 0.00 -0.10 0.61 0.00 0.00 0.00 176.54 177.03 2k8m n GLY 82 N -1.54 4.80 2.91 4.60 0.00 -0.95 -4.01 105.19 111.00 2k8m n GLY 82 Ca -0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2k8m n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8m s LYS 83 N -3.17 1.35 -0.18 1.61 2.47 -0.66 -5.06 119.74 116.10 2k8m s LYS 83 Ca 0.43 -1.31 -0.15 0.00 -1.56 0.00 0.00 55.97 53.38 2k8m s LYS 83 Cb 0.39 -2.64 -0.04 0.00 -1.46 0.00 0.00 37.83 34.07 2k8m s LYS 83 CO 0.01 -0.81 0.33 0.99 0.16 0.00 0.00 175.35 176.02 2k8m s THR 84 N 1.28 5.26 -0.06 3.43 2.01 -1.26 -4.07 115.64 122.24 2k8m s THR 84 Ca 0.04 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2k8m s THR 84 Cb -0.18 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2k8m s THR 84 CO -0.12 0.33 0.08 -1.48 -0.69 0.00 0.00 174.62 172.74 2k8m s LEU 85 N 0.88 3.99 -0.10 4.42 0.05 -1.23 -3.85 118.68 122.85 2k8m s LEU 85 Ca 0.17 0.25 0.01 0.00 0.05 0.00 0.00 54.13 54.61 2k8m s LEU 85 Cb -0.14 -2.13 0.02 0.00 -2.05 0.00 0.00 46.19 41.89 2k8m s LEU 85 CO 0.06 0.34 -0.12 -0.69 -0.55 0.00 0.00 176.35 175.39 2k8m s VAL 86 N -1.08 1.22 -0.35 1.48 1.01 -1.20 -2.33 120.40 119.15 2k8m s VAL 86 Ca 0.19 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2k8m s VAL 86 Cb -0.12 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.15 2k8m s VAL 86 CO 0.09 0.39 0.14 -0.32 0.00 0.00 0.00 175.10 175.39 2k8m s MET 87 N 1.11 2.66 -0.10 2.72 0.00 0.19 0.04 119.30 125.92 2k8m s MET 87 Ca -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 55.69 54.42 2k8m s MET 87 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 34.83 31.11 2k8m s MET 87 CO -0.02 -0.70 0.04 0.00 0.00 0.00 0.00 175.02 174.34 2k8m s ALA 88 N 1.44 3.43 -0.23 4.11 0.00 -0.51 -1.69 121.76 128.30 2k8m s ALA 88 Ca -0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 2k8m s ALA 88 Cb -0.20 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 2k8m s ALA 88 CO 0.04 0.59 0.10 0.54 0.00 0.00 0.00 175.76 177.02 2k8m s VAL 89 N -0.90 4.72 0.02 0.00 0.11 -0.59 0.04 120.40 123.80 2k8m s VAL 89 Ca 0.14 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 2k8m s VAL 89 Cb -0.11 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2k8m s VAL 89 CO 0.03 0.36 -0.08 -0.47 -3.33 0.00 0.00 175.10 171.60 2k8m s TYR 90 N 1.20 2.83 0.31 1.54 6.14 0.10 -3.24 117.35 126.24 2k8m s TYR 90 Ca 0.05 -0.08 -0.01 0.00 0.64 0.00 0.00 57.07 57.68 2k8m s TYR 90 Cb -0.14 -1.57 -0.04 0.00 0.42 0.00 0.00 41.96 40.63 2k8m s TYR 90 CO 0.04 0.36 0.52 0.34 0.64 0.00 0.00 175.55 177.45 2k8m s ASP 91 N -1.50 6.34 -0.39 4.32 2.15 -1.26 -0.01 116.67 126.31 2k8m s ASP 91 Ca 0.17 0.49 0.12 0.00 0.43 0.00 0.00 52.55 53.76 2k8m s ASP 91 Cb -0.11 -2.05 0.38 0.00 -0.30 0.00 0.00 42.92 40.84 2k8m s ASP 91 CO 0.08 -0.23 0.83 0.33 -0.17 0.00 0.00 175.17 176.01 2k8m n PHE 92 N -1.41 1.11 0.29 -5.34 7.35 0.48 -4.82 117.46 115.12 2k8m n PHE 92 Ca -0.04 -3.59 0.16 0.00 -0.76 0.00 0.00 57.45 53.21 2k8m n PHE 92 Cb 0.55 -0.40 0.83 0.00 0.35 0.00 0.00 39.48 40.81 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k8m h ASP 93 N 2.98 0.00 -2.00 -2.13 2.03 -1.89 -3.43 116.42 111.98 2k8m h ASP 93 Ca 0.07 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.09 2k8m h ASP 93 Cb 0.94 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.43 2k8m h ASP 93 CO 0.56 0.00 -0.36 0.54 -1.03 0.00 0.00 179.24 178.95 2k8m n ARG 94 N -2.72 -1.13 0.08 4.15 1.74 -1.26 -4.76 116.66 112.75 2k8m n ARG 94 Ca -0.02 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2k8m n ARG 94 Cb 0.23 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k8m n PHE 95 N -3.98 -2.42 -1.76 -1.55 7.35 -1.26 -5.13 117.46 108.72 2k8m n PHE 95 Ca -0.17 0.45 -0.30 0.00 -0.76 0.00 0.00 57.45 56.68 2k8m n PHE 95 Cb 0.62 1.35 0.08 0.00 0.35 0.00 0.00 39.48 41.88 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -2.60 4.69 -1.36 -2.13 0.01 -1.26 -4.92 113.70 106.14 2k8m s SER 96 Ca 0.00 1.05 -0.15 0.00 1.31 0.00 0.00 55.95 58.17 2k8m s SER 96 Cb 0.00 -1.72 0.08 0.00 0.21 0.00 0.00 66.02 64.58 2k8m s SER 96 CO 0.00 -1.82 1.93 0.29 0.41 0.00 0.00 173.24 174.06 2k8m n LYS 97 N -3.30 3.12 -1.50 12.44 5.02 -1.26 -4.85 118.16 127.83 2k8m n LYS 97 Ca 0.07 -3.07 -0.48 0.00 -2.02 0.00 0.00 58.31 52.81 2k8m n LYS 97 Cb 0.58 -3.30 -0.03 0.00 -0.02 0.00 0.00 35.03 32.26 2k8m n LYS 97 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2k8m n HIS 98 N 6.65 0.46 -4.26 2.13 1.44 -1.26 -5.00 115.22 115.38 2k8m n HIS 98 Ca 0.48 0.84 -0.25 0.00 -2.01 0.00 0.00 57.72 56.79 2k8m n HIS 98 Cb 0.42 -2.12 -0.08 0.00 0.12 0.00 0.00 29.99 28.33 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2k8m s ASP 99 N -0.60 4.30 -0.13 4.39 2.15 -1.26 -4.92 116.67 120.60 2k8m s ASP 99 Ca 0.66 -1.02 -0.29 0.00 0.43 0.00 0.00 52.55 52.33 2k8m s ASP 99 Cb -0.87 -0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 41.18 2k8m s ASP 99 CO 0.57 -0.36 1.51 -0.63 -0.17 0.00 0.00 175.17 176.09 2k8m s ILE 100 N -2.54 3.84 0.15 4.11 1.01 -1.26 -4.21 121.20 122.30 2k8m s ILE 100 Ca 0.37 1.00 0.01 0.00 0.00 0.00 0.00 60.65 62.03 2k8m s ILE 100 Cb 0.02 -3.70 -0.16 0.00 0.01 0.00 0.00 42.46 38.62 2k8m s ILE 100 CO 0.21 -0.15 1.35 0.16 0.00 0.00 0.00 174.94 176.50 2k8m h ILE 101 N 5.69 1.48 -2.04 2.92 -2.65 -1.90 -3.44 117.51 117.57 2k8m h ILE 101 Ca -0.34 -2.61 0.33 0.00 1.03 0.00 0.00 64.86 63.27 2k8m h ILE 101 Cb 1.15 2.48 -0.07 0.00 -2.05 0.00 0.00 36.82 38.32 2k8m h ILE 101 CO 0.97 0.76 0.88 -0.83 0.03 0.00 0.00 178.15 179.96 2k8m s GLY 102 N -4.50 -0.16 0.19 0.16 0.00 -1.26 -4.25 107.32 97.51 2k8m s GLY 102 Ca -0.04 0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 2k8m s GLY 102 CO 0.84 4.59 0.88 -1.84 0.00 0.00 0.00 173.10 177.58 2k8m n GLU 103 N -0.83 0.65 -3.62 2.90 0.28 -0.08 -1.54 120.64 118.41 2k8m n GLU 103 Ca 0.01 -1.43 -0.16 0.00 -0.16 0.00 0.00 57.16 55.43 2k8m n GLU 103 Cb 0.59 1.90 -0.07 0.00 1.43 0.00 0.00 31.44 35.29 2k8m n GLU 103 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8m s PHE 104 N -2.60 -0.54 0.07 -1.84 -0.12 -0.68 -2.63 117.98 109.64 2k8m s PHE 104 Ca 0.19 1.02 0.04 0.00 -0.05 0.00 0.00 56.93 58.14 2k8m s PHE 104 Cb -0.03 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.62 2k8m s PHE 104 CO 0.06 -0.48 -0.12 -1.59 -0.05 0.00 0.00 175.22 173.03 2k8m s LYS 105 N -0.86 0.78 -0.04 1.99 0.00 -1.26 -0.64 119.74 119.71 2k8m s LYS 105 Ca -0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 55.97 54.90 2k8m s LYS 105 Cb -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 37.83 37.15 2k8m s LYS 105 CO 0.06 0.14 0.07 0.54 0.00 0.00 0.00 175.35 176.17 2k8m s VAL 106 N -1.50 -0.09 -0.54 1.79 0.11 -0.98 -5.03 120.40 114.15 2k8m s VAL 106 Ca -0.02 0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 2k8m s VAL 106 Cb -0.09 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 2k8m s VAL 106 CO 0.02 0.11 1.33 -2.16 -3.33 0.00 0.00 175.10 171.07 2k8m s PRO 107 N 1.49 3.43 0.04 1.54 0.04 -1.26 -3.47 135.00 136.81 2k8m s PRO 107 Ca -0.04 0.46 0.11 0.00 0.04 0.00 0.00 61.00 61.57 2k8m s PRO 107 Cb -0.12 -4.06 0.50 0.00 0.04 0.00 0.00 34.50 30.85 2k8m s PRO 107 CO -0.04 -1.78 1.36 -1.33 0.04 0.00 0.00 177.00 175.25 2k8m n MET 108 N 8.47 0.03 -0.19 4.56 2.81 -1.26 -1.95 117.12 129.60 2k8m n MET 108 Ca 0.12 0.36 -0.09 0.00 -1.81 0.00 0.00 57.70 56.28 2k8m n MET 108 Cb 0.49 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 2k8m n MET 108 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2k8m h ASN 109 N 0.00 0.90 0.57 7.83 -1.24 -1.71 -3.13 115.58 118.79 2k8m h ASN 109 Ca 0.00 -0.29 -0.28 0.00 0.71 0.00 0.00 56.30 56.43 2k8m h ASN 109 Cb 0.17 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2k8m h ASN 109 CO 0.00 0.97 -1.48 0.74 -1.29 0.00 0.00 177.43 176.37 2k8m h THR 110 N 0.81 1.18 -1.97 -3.57 2.02 -1.74 -3.42 112.91 106.22 2k8m h THR 110 Ca 0.16 -2.89 -0.60 0.00 0.77 0.00 0.00 66.41 63.84 2k8m h THR 110 Cb 0.49 2.68 -0.12 0.00 -1.74 0.00 0.00 68.15 69.47 2k8m h THR 110 CO 0.02 0.77 1.08 -0.69 0.37 0.00 0.00 175.52 177.08 2k8m s VAL 111 N -2.63 4.08 0.67 3.16 1.01 -0.96 -5.00 120.40 120.72 2k8m s VAL 111 Ca -0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2k8m s VAL 111 Cb 0.08 -4.90 -0.00 0.00 0.00 0.00 0.00 36.38 31.55 2k8m s VAL 111 CO 0.84 -1.75 1.07 1.51 0.00 0.00 0.00 175.10 176.76 2k8m s ASP 112 N 4.15 5.37 -1.37 3.32 -4.77 -1.26 -4.74 116.67 117.38 2k8m s ASP 112 Ca 0.36 1.74 -0.08 0.00 -3.30 0.00 0.00 52.55 51.27 2k8m s ASP 112 Cb -0.06 -2.52 0.10 0.00 -1.09 0.00 0.00 42.92 39.35 2k8m s ASP 112 CO 0.01 -1.45 2.26 2.22 0.70 0.00 0.00 175.17 178.91 2k8m n PHE 113 N -2.76 2.80 0.09 2.11 1.16 -1.26 -4.75 117.46 114.85 2k8m n PHE 113 Ca 0.08 -2.86 -0.03 0.00 -1.87 0.00 0.00 57.45 52.76 2k8m n PHE 113 Cb 0.53 -2.05 -0.02 0.00 -1.61 0.00 0.00 39.48 36.33 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k8m h GLY 114 N 7.13 -0.24 0.00 4.97 0.00 -1.99 -3.48 103.07 109.45 2k8m h GLY 114 Ca 0.60 0.09 0.00 0.00 0.00 0.00 0.00 47.33 48.02 2k8m h GLY 114 CO 1.63 -0.09 0.00 1.42 0.00 0.00 0.00 176.54 179.50 2k8m n HIS 115 N -2.73 -0.26 -3.99 5.60 8.25 -1.26 -5.12 115.22 115.70 2k8m n HIS 115 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2k8m n HIS 115 Cb 0.09 0.10 -0.17 0.00 1.12 0.00 0.00 29.99 31.14 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k8m s VAL 116 N -0.21 0.45 -0.91 1.59 -7.23 -1.26 -4.31 120.40 108.53 2k8m s VAL 116 Ca 0.00 -0.02 -0.17 0.00 -1.81 0.00 0.00 61.98 59.98 2k8m s VAL 116 Cb 0.00 -0.53 0.16 0.00 0.56 0.00 0.00 36.38 36.57 2k8m s VAL 116 CO 0.00 0.23 1.01 -0.89 -0.31 0.00 0.00 175.10 175.15 2k8m s THR 117 N 1.32 5.05 -0.33 5.32 2.01 0.96 -4.95 115.64 125.02 2k8m s THR 117 Ca -0.05 -1.93 -0.06 0.00 0.31 0.00 0.00 61.69 59.96 2k8m s THR 117 Cb -0.13 -4.68 0.04 0.00 0.01 0.00 0.00 72.50 67.74 2k8m s THR 117 CO -0.02 -1.35 0.09 -1.61 -0.69 0.00 0.00 174.62 171.04 2k8m s GLU 118 N 1.75 2.66 0.31 4.92 2.02 -1.26 -0.58 118.70 128.52 2k8m s GLU 118 Ca 0.28 -1.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.06 2k8m s GLU 118 Cb -0.07 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2k8m s GLU 118 CO -0.09 -0.63 0.49 -1.83 0.02 0.00 0.00 175.26 173.22 2k8m s GLU 119 N 1.40 1.81 -0.41 1.61 -1.05 -1.16 -5.05 118.70 115.85 2k8m s GLU 119 Ca -0.01 -1.58 -0.08 0.00 -0.15 0.00 0.00 54.97 53.15 2k8m s GLU 119 Cb -0.19 0.46 0.09 0.00 -0.44 0.00 0.00 34.13 34.05 2k8m s GLU 119 CO 0.02 -0.76 0.24 -1.58 0.95 0.00 0.00 175.26 174.14 2k8m s TRP 120 N -3.30 3.39 0.21 4.83 0.52 -1.26 -3.21 118.94 120.10 2k8m s TRP 120 Ca 0.27 -1.75 -0.22 0.00 0.02 0.00 0.00 56.10 54.42 2k8m s TRP 120 Cb -0.01 -3.00 -0.08 0.00 -1.15 0.00 0.00 33.47 29.23 2k8m s TRP 120 CO 0.16 -0.88 0.76 0.50 0.02 0.00 0.00 176.95 177.51 2k8m s ARG 121 N 1.36 4.40 0.07 4.98 6.06 -0.21 -4.91 118.95 130.71 2k8m s ARG 121 Ca 0.04 1.02 -0.13 0.00 -2.50 0.00 0.00 55.73 54.16 2k8m s ARG 121 Cb -0.23 -3.03 -0.06 0.00 0.06 0.00 0.00 34.95 31.69 2k8m s ARG 121 CO 0.00 0.46 0.45 0.16 -2.50 0.00 0.00 175.30 173.88 2k8m s ASP 122 N -1.44 6.77 -0.15 -2.12 -4.77 -1.26 0.55 116.67 114.25 2k8m s ASP 122 Ca 0.40 0.95 -0.07 0.00 -3.30 0.00 0.00 52.55 50.53 2k8m s ASP 122 Cb -0.19 -2.24 -0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2k8m s ASP 122 CO 0.23 0.20 0.10 -0.76 0.70 0.00 0.00 175.17 175.64 2k8m s LEU 123 N -1.63 4.08 -0.03 2.11 1.43 -0.24 -4.83 118.68 119.57 2k8m s LEU 123 Ca 0.31 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 2k8m s LEU 123 Cb -0.15 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2k8m s LEU 123 CO 0.17 0.29 -0.23 0.00 0.23 0.00 0.00 176.35 176.81 2k8m s GLN 124 N -0.33 1.97 -1.33 1.70 -2.07 -1.08 -0.81 119.66 117.72 2k8m s GLN 124 Ca 0.10 -0.82 -0.17 0.00 -1.82 0.00 0.00 55.36 52.64 2k8m s GLN 124 Cb -0.12 -1.85 0.04 0.00 -1.09 0.00 0.00 33.01 29.99 2k8m s GLN 124 CO 0.01 0.46 1.92 0.43 -1.32 0.00 0.00 175.29 176.80 2k8m n SER 125 N 2.62 4.38 -4.56 12.60 7.64 -1.25 -0.90 113.62 134.15 2k8m n SER 125 Ca -0.16 -2.87 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 2k8m n SER 125 Cb 0.52 -1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8m s ALA 126 N 4.33 2.80 -0.26 -0.43 0.00 -1.26 -4.81 121.76 122.13 2k8m s ALA 126 Ca 0.53 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 2k8m s ALA 126 Cb 0.07 -4.21 -0.02 0.00 0.00 0.00 0.00 23.12 18.96 2k8m s ALA 126 CO 0.03 -3.15 1.66 -1.21 0.00 0.00 0.00 175.76 173.09 2k8m s GLU 127 N 5.58 3.66 0.00 0.00 2.02 -1.26 -4.68 118.70 124.02 2k8m s GLU 127 Ca 0.38 1.58 0.25 0.00 0.02 0.00 0.00 54.97 57.19 2k8m s GLU 127 Cb -0.08 -4.08 0.43 0.00 0.10 0.00 0.00 34.13 30.50 2k8m s GLU 127 CO 0.18 -1.46 1.40 1.63 0.02 0.00 0.00 175.26 177.02