#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.41 0.00 3.49 0.00 -1.26 -4.52 119.74 117.86 2k4a s LYS 2 Ca 0.00 0.19 0.13 0.00 0.00 0.00 0.00 55.97 56.30 2k4a s LYS 2 Cb 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 37.83 37.41 2k4a s LYS 2 CO 0.00 -0.99 0.58 -0.11 0.00 0.00 0.00 175.35 174.84 2k4a n LEU 3 N 5.36 0.73 0.00 2.77 7.94 0.32 -4.33 117.00 129.79 2k4a n LEU 3 Ca 0.00 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.37 2k4a n LEU 3 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2k4a n LEU 3 CO -0.01 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 2k4a n GLY 4 N 1.28 0.33 3.11 -3.96 0.00 -0.91 -3.69 105.19 101.35 2k4a n GLY 4 Ca 0.03 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 2k4a n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 5 N 0.00 0.47 -0.36 1.61 1.02 -0.33 0.11 119.74 122.25 2k4a s LYS 5 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.64 2k4a s LYS 5 Cb 0.00 0.20 0.14 0.00 -0.52 0.00 0.00 37.83 37.65 2k4a s LYS 5 CO 0.00 -0.11 0.21 -1.17 -0.92 0.00 0.00 175.35 173.36 2k4a s LEU 6 N -1.29 1.16 0.32 3.17 0.20 0.40 0.14 118.68 122.78 2k4a s LEU 6 Ca -0.14 -2.23 -0.29 0.00 0.69 0.00 0.00 54.13 52.16 2k4a s LEU 6 Cb -0.07 -0.47 -0.11 0.00 -0.43 0.00 0.00 46.19 45.11 2k4a s LEU 6 CO 0.02 -0.30 1.49 0.00 -0.29 0.00 0.00 176.35 177.26 2k4a s GLN 7 N 0.99 4.17 0.11 1.98 0.00 -1.00 -3.26 119.66 122.66 2k4a s GLN 7 Ca 0.18 2.48 -0.21 0.00 -0.00 0.00 0.00 55.36 57.81 2k4a s GLN 7 Cb -0.23 -3.03 0.05 0.00 0.00 0.00 0.00 33.01 29.81 2k4a s GLN 7 CO 0.01 -0.50 0.51 1.52 0.00 0.00 0.00 175.29 176.83 2k4a s TYR 8 N -0.55 -0.39 -0.23 9.60 -0.85 -1.18 -1.30 117.35 122.45 2k4a s TYR 8 Ca 0.57 0.23 0.02 0.00 -0.52 0.00 0.00 57.07 57.37 2k4a s TYR 8 Cb -0.45 0.39 0.05 0.00 0.38 0.00 0.00 41.96 42.33 2k4a s TYR 8 CO 0.53 -0.74 -0.12 -1.54 -1.52 0.00 0.00 175.55 172.16 2k4a s SER 9 N -2.52 3.88 -0.19 -0.18 1.04 0.15 -3.18 113.70 112.70 2k4a s SER 9 Ca -0.00 -1.11 -0.12 0.00 0.48 0.00 0.00 55.95 55.20 2k4a s SER 9 Cb 0.00 -1.43 -0.05 0.00 0.10 0.00 0.00 66.02 64.65 2k4a s SER 9 CO -0.09 -0.15 0.22 -0.76 0.98 0.00 0.00 173.24 173.44 2k4a s LEU 10 N 1.24 4.20 0.24 2.42 1.43 0.29 -0.05 118.68 128.44 2k4a s LEU 10 Ca -0.04 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 2k4a s LEU 10 Cb -0.18 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 2k4a s LEU 10 CO -0.07 0.11 -0.08 -0.62 0.23 0.00 0.00 176.35 175.92 2k4a s ASP 11 N 0.56 2.48 -0.01 2.29 2.15 0.19 0.82 116.67 125.14 2k4a s ASP 11 Ca 0.12 -1.13 0.01 0.00 0.43 0.00 0.00 52.55 51.98 2k4a s ASP 11 Cb -0.12 -0.12 0.01 0.00 -0.30 0.00 0.00 42.92 42.39 2k4a s ASP 11 CO 0.02 -0.31 -0.03 -0.72 -0.17 0.00 0.00 175.17 173.96 2k4a s TYR 12 N -3.09 0.34 -0.25 -5.34 1.13 -1.26 0.22 117.35 109.10 2k4a s TYR 12 Ca 0.26 -0.05 -0.06 0.00 -1.41 0.00 0.00 57.07 55.81 2k4a s TYR 12 Cb 0.02 -0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 2k4a s TYR 12 CO 0.09 -0.05 0.04 0.34 -2.51 0.00 0.00 175.55 173.46 2k4a s ASP 13 N 0.29 4.92 0.09 -0.18 -1.08 0.29 -4.94 116.67 116.06 2k4a s ASP 13 Ca -0.03 -0.38 0.26 0.00 -0.52 0.00 0.00 52.55 51.87 2k4a s ASP 13 Cb -0.06 -1.86 0.63 0.00 -1.46 0.00 0.00 42.92 40.17 2k4a s ASP 13 CO -0.01 -0.07 1.54 2.22 0.52 0.00 0.00 175.17 179.38 2k4a n PHE 14 N 4.88 0.43 -0.02 -5.34 1.16 -1.26 -1.11 117.46 116.20 2k4a n PHE 14 Ca -0.16 0.12 -0.17 0.00 -1.87 0.00 0.00 57.45 55.38 2k4a n PHE 14 Cb 0.50 -0.61 -0.09 0.00 -1.61 0.00 0.00 39.48 37.68 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k4a h GLN 15 N 0.00 0.51 0.00 3.97 3.07 -1.95 -3.31 115.11 117.41 2k4a h GLN 15 Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 58.65 58.29 2k4a h GLN 15 Cb 0.65 0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.31 2k4a h GLN 15 CO 0.00 1.08 -1.13 0.27 0.09 0.00 0.00 178.83 179.15 2k4a n ASN 16 N -4.20 0.81 -2.26 0.06 0.23 -1.25 -5.03 115.26 103.61 2k4a n ASN 16 Ca -0.09 -0.73 -0.05 0.00 -0.53 0.00 0.00 54.58 53.19 2k4a n ASN 16 Cb 0.63 1.21 0.02 0.00 -2.08 0.00 0.00 39.78 39.57 2k4a n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k4a n ASN 17 N -1.62 -4.22 -3.62 0.53 2.85 -0.42 -4.93 115.26 103.82 2k4a n ASN 17 Ca 0.02 -0.24 -0.13 0.00 -0.11 0.00 0.00 54.58 54.11 2k4a n ASN 17 Cb 0.35 -2.70 -0.06 0.00 1.24 0.00 0.00 39.78 38.61 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -3.46 0.96 -0.04 1.20 -2.07 -0.26 -3.18 119.66 112.80 2k4a s GLN 18 Ca 0.15 -0.27 -0.03 0.00 -1.82 0.00 0.00 55.36 53.39 2k4a s GLN 18 Cb -0.02 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 2k4a s GLN 18 CO 0.33 -0.34 0.11 -0.51 -1.32 0.00 0.00 175.29 173.57 2k4a s LEU 19 N -1.92 4.08 -0.35 2.60 1.43 -0.51 0.10 118.68 124.11 2k4a s LEU 19 Ca -0.06 0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2k4a s LEU 19 Cb -0.01 -2.25 0.07 0.00 0.03 0.00 0.00 46.19 44.04 2k4a s LEU 19 CO -0.01 0.32 0.09 -0.22 0.23 0.00 0.00 176.35 176.75 2k4a s LEU 20 N -1.51 4.49 -0.46 1.79 1.98 0.60 0.16 118.68 125.73 2k4a s LEU 20 Ca 0.21 -1.56 -0.18 0.00 -2.89 0.00 0.00 54.13 49.70 2k4a s LEU 20 Cb -0.12 -1.78 0.04 0.00 0.66 0.00 0.00 46.19 44.99 2k4a s LEU 20 CO 0.11 -0.38 0.54 -0.69 -1.89 0.00 0.00 176.35 174.04 2k4a s VAL 21 N 1.22 4.98 -0.83 1.68 1.01 0.05 0.55 120.40 129.05 2k4a s VAL 21 Ca 0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 2k4a s VAL 21 Cb -0.21 -4.17 0.15 0.00 0.00 0.00 0.00 36.38 32.15 2k4a s VAL 21 CO -0.02 -0.61 0.94 -0.83 0.00 0.00 0.00 175.10 174.58 2k4a s GLY 22 N 2.24 2.11 -0.83 4.51 0.00 0.92 -1.02 107.32 115.25 2k4a s GLY 22 Ca 0.14 -2.82 -0.24 0.00 0.00 0.00 0.00 44.72 41.80 2k4a s GLY 22 CO 0.13 1.70 1.26 -0.26 0.00 0.00 0.00 173.10 175.94 2k4a s ILE 23 N 1.94 3.98 0.07 0.90 -0.00 -1.03 0.33 121.20 127.38 2k4a s ILE 23 Ca 0.24 -0.25 -0.21 0.00 -0.00 0.00 0.00 60.65 60.43 2k4a s ILE 23 Cb -0.10 -4.91 -0.08 0.00 -0.00 0.00 0.00 42.46 37.37 2k4a s ILE 23 CO -0.06 -1.78 1.34 0.40 -0.00 0.00 0.00 174.94 174.84 2k4a h ILE 24 N 6.23 0.00 -1.47 8.37 2.04 -1.52 -1.51 117.51 129.65 2k4a h ILE 24 Ca -0.10 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.02 2k4a h ILE 24 Cb 1.04 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.93 2k4a h ILE 24 CO 1.29 0.00 0.81 0.00 0.00 0.00 0.00 178.15 180.26 2k4a s GLN 25 N -4.68 0.30 -0.04 2.37 -2.07 -1.14 0.27 119.66 114.68 2k4a s GLN 25 Ca -0.10 -0.11 -0.01 0.00 -1.82 0.00 0.00 55.36 53.32 2k4a s GLN 25 Cb 0.04 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 2k4a s GLN 25 CO 0.38 -0.13 0.06 0.00 -1.32 0.00 0.00 175.29 174.27 2k4a s ALA 26 N -2.40 3.50 0.04 2.60 0.00 -1.23 -2.36 121.76 121.91 2k4a s ALA 26 Ca 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2k4a s ALA 26 Cb -0.01 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2k4a s ALA 26 CO -0.05 0.65 -0.17 0.00 0.00 0.00 0.00 175.76 176.20 2k4a s ALA 27 N -1.09 1.43 -0.82 0.00 0.00 0.36 -3.74 121.76 117.90 2k4a s ALA 27 Ca 0.19 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2k4a s ALA 27 Cb -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2k4a s ALA 27 CO 0.09 0.30 0.16 0.39 0.00 0.00 0.00 175.76 176.71 2k4a n GLU 28 N 1.95 -1.69 -2.10 0.00 -0.58 -1.06 -1.19 120.64 115.97 2k4a n GLU 28 Ca -0.17 0.47 -0.41 0.00 -0.42 0.00 0.00 57.16 56.63 2k4a n GLU 28 Cb 0.54 -4.46 -0.02 0.00 -0.57 0.00 0.00 31.44 26.93 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k4a s LEU 29 N -3.28 4.42 0.74 -4.62 1.43 0.61 -4.14 118.68 113.84 2k4a s LEU 29 Ca 0.08 2.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.73 2k4a s LEU 29 Cb -0.04 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.58 2k4a s LEU 29 CO 0.10 -0.56 1.20 -2.84 0.23 0.00 0.00 176.35 174.48 2k4a s PRO 30 N -1.64 2.07 0.62 1.29 0.02 -1.26 -4.73 135.00 131.36 2k4a s PRO 30 Ca 0.50 1.74 -0.09 0.00 0.02 0.00 0.00 61.00 63.17 2k4a s PRO 30 Cb -0.40 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 2k4a s PRO 30 CO 0.52 -1.88 0.98 0.00 -0.33 0.00 0.00 177.00 176.28 2k4a s ALA 31 N -2.04 3.14 0.00 -1.55 0.00 -1.26 -4.66 121.76 115.39 2k4a s ALA 31 Ca 0.74 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2k4a s ALA 31 Cb -0.29 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2k4a s ALA 31 CO 0.46 -0.80 0.00 -0.11 0.00 0.00 0.00 175.76 175.31 2k4a n LEU 32 N -2.71 0.00 -4.72 0.00 -0.00 0.38 -4.92 117.00 105.04 2k4a n LEU 32 Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.72 2k4a n LEU 32 Cb 0.56 0.28 0.10 0.00 -0.00 0.00 0.00 43.42 44.36 2k4a n LEU 32 CO 0.56 -0.37 0.79 -0.62 -0.00 0.00 0.00 177.39 177.75 2k4a s ASP 33 N -2.36 4.06 -0.69 1.96 -1.08 0.24 -4.82 116.67 113.98 2k4a s ASP 33 Ca 0.00 2.36 -0.23 0.00 -0.52 0.00 0.00 52.55 54.16 2k4a s ASP 33 Cb 0.00 -2.59 -0.18 0.00 -1.46 0.00 0.00 42.92 38.69 2k4a s ASP 33 CO 0.00 -2.36 1.89 0.80 0.52 0.00 0.00 175.17 176.03 2k4a n MET 34 N -2.85 1.35 0.00 4.34 0.00 -1.26 -3.57 117.12 115.13 2k4a n MET 34 Ca 0.13 -1.75 0.00 0.00 -0.00 0.00 0.00 57.70 56.08 2k4a n MET 34 Cb 0.50 -2.87 0.00 0.00 0.00 0.00 0.00 33.22 30.85 2k4a n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k4a n GLY 35 N 4.57 -0.61 3.48 -5.12 0.00 -1.26 -4.95 105.19 101.29 2k4a n GLY 35 Ca 0.49 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 46.49 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N 0.00 -0.46 1.86 -0.02 0.00 -1.23 -4.88 105.19 100.46 2k4a n GLY 36 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -3.53 0.00 -3.60 2.61 -2.24 -1.25 -4.86 114.28 101.42 2k4a n THR 37 Ca 0.03 -1.41 -0.07 0.00 -2.27 0.00 0.00 64.05 60.34 2k4a n THR 37 Cb 0.50 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 2k4a n THR 37 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k4a s SER 38 N -2.36 -0.32 -0.71 3.42 0.15 -1.26 0.14 113.70 112.77 2k4a s SER 38 Ca 0.22 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.74 2k4a s SER 38 Cb 0.01 0.46 0.32 0.00 -1.71 0.00 0.00 66.02 65.10 2k4a s SER 38 CO 0.16 -0.79 1.15 0.47 1.20 0.00 0.00 173.24 175.43 2k4a n ASP 39 N -0.35 5.14 -4.73 5.45 9.92 -1.26 0.00 116.55 130.74 2k4a n ASP 39 Ca -0.09 -3.65 -0.41 0.00 -0.53 0.00 0.00 54.79 50.11 2k4a n ASP 39 Cb 0.62 -0.74 -0.04 0.00 -0.64 0.00 0.00 41.12 40.32 2k4a n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k4a s PRO 40 N -3.54 4.60 -0.00 -0.24 0.04 -1.25 -0.31 135.00 134.30 2k4a s PRO 40 Ca 0.45 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2k4a s PRO 40 Cb 0.24 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2k4a s PRO 40 CO -0.11 0.05 -0.01 1.52 0.04 0.00 0.00 177.00 178.49 2k4a s TYR 41 N 0.17 0.13 0.11 0.56 -0.85 0.29 -3.50 117.35 114.26 2k4a s TYR 41 Ca 0.50 -0.02 -0.22 0.00 -0.52 0.00 0.00 57.07 56.81 2k4a s TYR 41 Cb -0.27 -0.10 -0.07 0.00 0.38 0.00 0.00 41.96 41.90 2k4a s TYR 41 CO 0.32 -0.01 0.66 0.14 -1.52 0.00 0.00 175.55 175.14 2k4a s VAL 42 N 0.02 4.59 -0.25 -3.49 -7.23 -1.26 0.13 120.40 112.91 2k4a s VAL 42 Ca 0.00 1.43 0.02 0.00 -1.81 0.00 0.00 61.98 61.62 2k4a s VAL 42 Cb -0.01 -4.00 0.06 0.00 0.56 0.00 0.00 36.38 32.99 2k4a s VAL 42 CO -0.00 0.54 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.67 2k4a s LYS 43 N -1.08 1.83 0.05 4.82 -2.85 0.40 -1.45 119.74 121.46 2k4a s LYS 43 Ca 0.32 -1.19 -0.31 0.00 -1.00 0.00 0.00 55.97 53.79 2k4a s LYS 43 Cb -0.21 -2.73 -0.06 0.00 -2.06 0.00 0.00 37.83 32.76 2k4a s LYS 43 CO 0.22 -0.62 1.38 0.14 0.10 0.00 0.00 175.35 176.57 2k4a s VAL 44 N 1.25 3.58 0.21 1.79 -7.23 -0.61 -2.71 120.40 116.68 2k4a s VAL 44 Ca -0.06 1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 61.18 2k4a s VAL 44 Cb -0.19 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 2k4a s VAL 44 CO -0.06 0.04 0.10 -0.36 -0.31 0.00 0.00 175.10 174.51 2k4a s PHE 45 N 1.76 1.25 0.26 2.82 0.08 -0.17 -3.24 117.98 120.73 2k4a s PHE 45 Ca 0.64 -1.26 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2k4a s PHE 45 Cb -0.33 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 2k4a s PHE 45 CO 0.28 -0.49 0.13 -0.51 -0.10 0.00 0.00 175.22 174.54 2k4a s LEU 46 N -3.20 1.54 0.00 -0.37 2.01 -1.26 -1.54 118.68 115.87 2k4a s LEU 46 Ca 0.35 -1.46 0.00 0.00 0.01 0.00 0.00 54.13 53.03 2k4a s LEU 46 Cb 0.07 0.18 0.00 0.00 0.01 0.00 0.00 46.19 46.45 2k4a s LEU 46 CO 0.10 -0.82 0.00 0.00 1.01 0.00 0.00 176.35 176.64 2k4a n LEU 47 N -0.47 0.00 -0.30 1.79 -0.00 -0.79 -4.32 117.00 112.92 2k4a n LEU 47 Ca 0.01 0.00 0.26 0.00 -0.00 0.00 0.00 56.01 56.28 2k4a n LEU 47 Cb 0.66 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.51 2k4a n LEU 47 CO 0.35 -1.31 0.79 -2.65 -0.00 0.00 0.00 177.39 174.57 2k4a n PRO 48 N -1.79 -0.03 -0.34 1.47 -0.02 -1.26 0.23 135.00 133.25 2k4a n PRO 48 Ca 0.00 0.83 -0.03 0.00 -2.02 0.00 0.00 63.50 62.28 2k4a n PRO 48 Cb 0.00 -1.62 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2k4a n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k4a h ASP 49 N 0.00 -1.42 -3.02 2.55 3.58 -1.95 -3.44 116.42 112.72 2k4a h ASP 49 Ca 0.57 0.29 -0.14 0.00 0.42 0.00 0.00 57.03 58.18 2k4a h ASP 49 Cb 1.82 0.73 -0.03 0.00 1.72 0.00 0.00 39.33 43.57 2k4a h ASP 49 CO -0.33 -0.29 -0.15 0.29 -2.88 0.00 0.00 179.24 175.88 2k4a n LYS 50 N -5.45 -1.86 -1.59 0.28 4.76 0.13 -4.81 118.16 109.61 2k4a n LYS 50 Ca 0.08 0.37 -0.31 0.00 -2.87 0.00 0.00 58.31 55.58 2k4a n LYS 50 Cb 0.38 -4.71 -0.05 0.00 -1.84 0.00 0.00 35.03 28.82 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4a n LYS 51 N -2.06 3.29 0.00 1.97 5.02 -1.26 -4.69 118.16 120.43 2k4a n LYS 51 Ca -0.07 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2k4a n LYS 51 Cb 0.39 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 1.66 0.00 -3.54 1.97 2.85 -1.26 -4.15 118.16 115.69 2k4a n LYS 52 Ca 0.56 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.58 2k4a n LYS 52 Cb 0.46 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.69 2k4a n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4a s LYS 53 N 0.00 0.17 -0.07 -1.58 2.20 -1.26 -4.41 119.74 114.78 2k4a s LYS 53 Ca 0.00 -0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2k4a s LYS 53 Cb 0.00 -1.32 0.01 0.00 -1.51 0.00 0.00 37.83 35.01 2k4a s LYS 53 CO 0.00 -0.84 -0.16 0.12 -0.36 0.00 0.00 175.35 174.11 2k4a s PHE 54 N 2.19 1.78 -0.34 4.03 5.36 -1.20 -5.02 117.98 124.77 2k4a s PHE 54 Ca 0.06 -0.67 -0.07 0.00 -0.96 0.00 0.00 56.93 55.29 2k4a s PHE 54 Cb -0.16 -1.25 0.04 0.00 -0.34 0.00 0.00 43.02 41.31 2k4a s PHE 54 CO -0.23 -0.31 0.12 -2.00 -1.46 0.00 0.00 175.22 171.34 2k4a s GLU 55 N 0.52 2.65 0.84 10.12 2.12 -1.26 -1.57 118.70 132.12 2k4a s GLU 55 Ca -0.15 -1.16 -0.11 0.00 0.36 0.00 0.00 54.97 53.92 2k4a s GLU 55 Cb -0.16 -3.49 0.10 0.00 0.26 0.00 0.00 34.13 30.83 2k4a s GLU 55 CO 0.05 -0.67 1.11 0.95 -0.54 0.00 0.00 175.26 176.16 2k4a s THR 56 N 1.42 2.86 0.15 -1.70 -4.23 -0.53 -4.93 115.64 108.68 2k4a s THR 56 Ca -0.01 0.28 -0.31 0.00 -1.18 0.00 0.00 61.69 60.47 2k4a s THR 56 Cb -0.19 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.93 2k4a s THR 56 CO 0.03 -0.37 1.53 -0.75 -0.54 0.00 0.00 174.62 174.53 2k4a s LYS 57 N -4.82 4.24 0.66 3.99 2.20 -1.26 -4.69 119.74 120.05 2k4a s LYS 57 Ca 0.63 2.30 -0.17 0.00 -0.36 0.00 0.00 55.97 58.37 2k4a s LYS 57 Cb -0.19 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2k4a s LYS 57 CO 0.57 -0.57 1.23 0.54 -0.36 0.00 0.00 175.35 176.76 2k4a s VAL 58 N 1.19 2.33 -0.43 4.02 0.11 -1.26 -4.78 120.40 121.58 2k4a s VAL 58 Ca 0.69 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.96 2k4a s VAL 58 Cb -0.42 -2.95 0.12 0.00 -1.53 0.00 0.00 36.38 31.60 2k4a s VAL 58 CO 0.31 -0.06 0.17 -1.00 -3.33 0.00 0.00 175.10 171.19 2k4a s HIS 59 N -1.69 3.13 0.06 1.54 0.09 -1.23 -5.01 115.29 112.19 2k4a s HIS 59 Ca 0.78 -2.93 -0.31 0.00 -0.00 0.00 0.00 55.06 52.60 2k4a s HIS 59 Cb -0.32 -2.67 -0.10 0.00 -0.00 0.00 0.00 32.58 29.49 2k4a s HIS 59 CO 0.40 -0.83 1.91 2.89 -0.00 0.00 0.00 174.74 179.11 2k4a n ARG 60 N 3.67 2.77 -3.21 1.40 -4.01 -1.26 -3.68 116.66 112.34 2k4a n ARG 60 Ca 0.05 1.01 -0.11 0.00 -1.04 0.00 0.00 57.85 57.76 2k4a n ARG 60 Cb 0.36 -2.94 0.01 0.00 -3.04 0.00 0.00 32.46 26.85 2k4a n ARG 60 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2k4a n LYS 61 N 6.69 -1.69 -3.54 2.89 4.76 -0.88 -4.95 118.16 121.43 2k4a n LYS 61 Ca 0.19 1.49 -0.01 0.00 -2.87 0.00 0.00 58.31 57.12 2k4a n LYS 61 Cb 0.38 -4.61 -0.05 0.00 -1.84 0.00 0.00 35.03 28.91 2k4a n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k4a s THR 62 N -2.73 -0.30 -2.03 -0.18 -1.32 0.10 -4.84 115.64 104.34 2k4a s THR 62 Ca 0.10 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.77 2k4a s THR 62 Cb -0.02 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.26 2k4a s THR 62 CO 0.80 0.00 1.22 0.18 -2.21 0.00 0.00 174.62 174.61 2k4a n LEU 63 N 4.43 2.94 -2.70 9.08 4.77 -1.26 -4.33 117.00 129.93 2k4a n LEU 63 Ca -0.14 -1.39 -0.06 0.00 -0.03 0.00 0.00 56.01 54.39 2k4a n LEU 63 Cb 0.55 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.57 2k4a n LEU 63 CO -0.01 0.62 0.29 -3.20 -1.33 0.00 0.00 177.39 173.75 2k4a n ASN 64 N 1.11 -0.54 -4.85 -1.43 5.15 -1.26 -0.28 115.26 113.14 2k4a n ASN 64 Ca 0.14 -2.47 -0.32 0.00 -0.60 0.00 0.00 54.58 51.33 2k4a n ASN 64 Cb 0.50 0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 40.07 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N -1.15 3.96 0.28 1.20 0.04 -1.25 -4.92 135.00 133.16 2k4a s PRO 65 Ca 0.22 0.59 0.06 0.00 0.04 0.00 0.00 61.00 61.91 2k4a s PRO 65 Cb 0.42 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2k4a s PRO 65 CO -0.05 0.17 0.38 0.14 0.04 0.00 0.00 177.00 177.68 2k4a s VAL 66 N -1.98 4.65 0.00 -0.36 -7.23 -1.26 -3.48 120.40 110.75 2k4a s VAL 66 Ca 0.53 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2k4a s VAL 66 Cb -0.10 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.22 2k4a s VAL 66 CO 0.19 -0.26 0.00 0.33 -0.31 0.00 0.00 175.10 175.05 2k4a n PHE 67 N -1.47 -1.42 -3.08 2.82 7.35 -0.30 -4.99 117.46 116.37 2k4a n PHE 67 Ca -0.05 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.51 2k4a n PHE 67 Cb 0.58 0.28 0.06 0.00 0.35 0.00 0.00 39.48 40.75 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k4a n ASN 68 N -2.20 -6.33 -4.80 -2.13 5.15 0.14 -4.97 115.26 100.12 2k4a n ASN 68 Ca 0.00 -0.60 -0.34 0.00 -0.60 0.00 0.00 54.58 53.04 2k4a n ASN 68 Cb 0.00 -4.81 -0.03 0.00 -0.53 0.00 0.00 39.78 34.41 2k4a n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k4a s GLU 69 N -4.17 3.79 -0.59 1.20 2.56 -1.01 -4.75 118.70 115.74 2k4a s GLU 69 Ca 0.39 1.30 -0.17 0.00 0.00 0.00 0.00 54.97 56.48 2k4a s GLU 69 Cb -0.05 -2.10 0.13 0.00 2.00 0.00 0.00 34.13 34.11 2k4a s GLU 69 CO 0.67 -0.43 0.61 -1.14 -0.56 0.00 0.00 175.26 174.41 2k4a s GLN 70 N -3.38 3.07 -0.41 4.30 0.74 -1.26 -2.47 119.66 120.25 2k4a s GLN 70 Ca 0.66 -1.64 -0.24 0.00 0.05 0.00 0.00 55.36 54.19 2k4a s GLN 70 Cb -0.15 -4.31 0.02 0.00 1.10 0.00 0.00 33.01 29.67 2k4a s GLN 70 CO 0.22 -1.41 0.83 0.12 -0.55 0.00 0.00 175.29 174.49 2k4a s PHE 71 N 1.89 3.03 -0.78 1.67 5.36 -0.19 -4.92 117.98 124.03 2k4a s PHE 71 Ca 0.08 0.41 -0.23 0.00 -0.96 0.00 0.00 56.93 56.23 2k4a s PHE 71 Cb -0.26 -3.63 0.07 0.00 -0.34 0.00 0.00 43.02 38.86 2k4a s PHE 71 CO 0.03 -0.90 1.15 0.99 -1.46 0.00 0.00 175.22 175.03 2k4a s THR 72 N 3.33 4.16 -1.04 0.12 2.01 -1.26 -0.77 115.64 122.20 2k4a s THR 72 Ca 0.33 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 2k4a s THR 72 Cb -0.12 -4.82 -0.01 0.00 0.01 0.00 0.00 72.50 67.55 2k4a s THR 72 CO 0.21 -1.65 1.77 0.12 -0.69 0.00 0.00 174.62 174.38 2k4a s PHE 73 N 4.44 2.17 -0.92 4.92 2.19 0.41 -4.90 117.98 126.28 2k4a s PHE 73 Ca 0.31 -0.11 -0.24 0.00 0.33 0.00 0.00 56.93 57.22 2k4a s PHE 73 Cb -0.10 -4.32 -0.05 0.00 -1.31 0.00 0.00 43.02 37.25 2k4a s PHE 73 CO 0.05 -1.72 1.93 0.15 1.83 0.00 0.00 175.22 177.46 2k4a s LYS 74 N 5.97 2.60 -0.30 10.12 -0.14 -1.26 -1.43 119.74 135.31 2k4a s LYS 74 Ca 0.61 -0.37 -0.16 0.00 -1.36 0.00 0.00 55.97 54.68 2k4a s LYS 74 Cb -0.02 -5.09 0.19 0.00 -1.68 0.00 0.00 37.83 31.23 2k4a s LYS 74 CO 0.00 -3.36 1.16 0.08 -0.76 0.00 0.00 175.35 172.47 2k4a s VAL 75 N 9.92 -0.03 0.33 3.17 1.01 -1.24 -4.67 120.40 128.89 2k4a s VAL 75 Ca 0.69 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 2k4a s VAL 75 Cb -0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.20 2k4a s VAL 75 CO -0.00 0.00 1.45 -2.65 0.00 0.00 0.00 175.10 173.90 2k4a n PRO 76 N 3.49 2.45 -0.33 2.72 -0.02 -1.19 -4.04 135.00 138.08 2k4a n PRO 76 Ca -0.16 0.86 0.22 0.00 -2.02 0.00 0.00 63.50 62.40 2k4a n PRO 76 Cb 0.56 -2.56 0.48 0.00 -0.02 0.00 0.00 33.50 31.97 2k4a n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k4a h TYR 77 N 3.50 0.74 -0.28 6.00 -0.00 -1.92 0.56 116.97 125.58 2k4a h TYR 77 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2k4a h TYR 77 Cb 1.25 -0.21 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 2k4a h TYR 77 CO 0.54 0.05 0.17 0.77 -0.00 0.00 0.00 178.16 179.70 2k4a h SER 78 N 0.43 0.33 1.41 0.10 0.02 -1.98 -1.45 113.55 112.41 2k4a h SER 78 Ca 0.61 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.47 2k4a h SER 78 Cb 1.47 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 2k4a h SER 78 CO -0.34 0.25 -0.61 -0.33 -1.14 0.00 0.00 176.83 174.66 2k4a h GLU 79 N 0.38 0.00 -0.90 3.45 5.08 -0.25 -3.34 114.58 119.00 2k4a h GLU 79 Ca 0.10 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.71 2k4a h GLU 79 Cb -0.02 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.07 2k4a h GLU 79 CO -0.02 0.29 0.17 1.25 -1.00 0.00 0.00 179.01 179.71 2k4a h LEU 80 N 0.00 -0.15 -1.89 1.33 6.46 -0.41 0.23 115.31 120.89 2k4a h LEU 80 Ca -0.03 0.22 0.15 0.00 -0.12 0.00 0.00 57.88 58.10 2k4a h LEU 80 Cb 1.29 0.33 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 2k4a h LEU 80 CO 0.04 -0.23 0.54 1.23 -0.62 0.00 0.00 178.44 179.40 2k4a h GLY 81 N 0.13 0.00 -1.44 3.75 0.00 -1.69 0.57 103.07 104.40 2k4a h GLY 81 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2k4a h GLY 81 CO -0.73 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.42 2k4a n GLY 82 N -1.53 0.64 3.66 4.60 0.00 0.80 -3.97 105.19 109.41 2k4a n GLY 82 Ca 0.10 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -1.33 3.64 -0.32 1.61 3.01 0.19 -5.00 119.74 121.53 2k4a s LYS 83 Ca 0.22 -0.35 -0.11 0.00 -1.01 0.00 0.00 55.97 54.73 2k4a s LYS 83 Cb 0.15 -3.08 -0.01 0.00 -1.01 0.00 0.00 37.83 33.88 2k4a s LYS 83 CO 0.21 0.44 0.18 0.99 0.51 0.00 0.00 175.35 177.69 2k4a s THR 84 N -0.12 4.79 0.07 2.17 2.01 -1.26 -2.82 115.64 120.48 2k4a s THR 84 Ca 0.06 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 2k4a s THR 84 Cb -0.12 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2k4a s THR 84 CO 0.01 0.02 1.03 -0.22 -0.69 0.00 0.00 174.62 174.77 2k4a s LEU 85 N 1.64 4.43 -0.08 4.42 0.20 -0.43 -1.88 118.68 126.98 2k4a s LEU 85 Ca 0.05 1.82 0.00 0.00 0.69 0.00 0.00 54.13 56.69 2k4a s LEU 85 Cb -0.17 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.03 2k4a s LEU 85 CO 0.07 -0.22 -0.05 0.68 -0.29 0.00 0.00 176.35 176.54 2k4a s VAL 86 N 0.50 0.73 -0.28 1.68 -7.23 -0.59 0.30 120.40 115.50 2k4a s VAL 86 Ca 0.51 -0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 60.50 2k4a s VAL 86 Cb -0.24 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 35.96 2k4a s VAL 86 CO 0.30 0.30 -0.01 -0.32 -0.31 0.00 0.00 175.10 175.06 2k4a s MET 87 N 1.41 2.65 -0.08 4.82 0.00 0.13 -1.00 119.30 127.22 2k4a s MET 87 Ca -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 55.69 54.56 2k4a s MET 87 Cb -0.13 -3.15 -0.03 0.00 0.00 0.00 0.00 34.83 31.52 2k4a s MET 87 CO -0.03 -0.53 -0.10 0.00 0.00 0.00 0.00 175.02 174.36 2k4a s ALA 88 N 1.31 2.84 -0.22 4.11 0.00 -1.10 0.15 121.76 128.86 2k4a s ALA 88 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 2k4a s ALA 88 Cb -0.18 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2k4a s ALA 88 CO -0.02 0.49 0.04 0.54 0.00 0.00 0.00 175.76 176.82 2k4a s VAL 89 N -0.53 4.23 -0.04 0.00 0.11 0.82 0.15 120.40 125.13 2k4a s VAL 89 Ca 0.08 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.94 2k4a s VAL 89 Cb -0.12 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 2k4a s VAL 89 CO 0.02 0.39 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.61 2k4a s TYR 90 N 1.24 2.83 0.41 1.54 5.04 0.35 -2.92 117.35 125.84 2k4a s TYR 90 Ca 0.04 -0.06 -0.06 0.00 -2.44 0.00 0.00 57.07 54.55 2k4a s TYR 90 Cb -0.15 -1.64 -0.05 0.00 0.35 0.00 0.00 41.96 40.47 2k4a s TYR 90 CO 0.03 0.29 0.71 0.34 -1.34 0.00 0.00 175.55 175.58 2k4a s ASP 91 N -0.99 6.38 -0.35 4.32 -1.08 -1.06 0.11 116.67 123.99 2k4a s ASP 91 Ca 0.13 0.90 0.14 0.00 -0.52 0.00 0.00 52.55 53.20 2k4a s ASP 91 Cb -0.11 -2.23 0.40 0.00 -1.46 0.00 0.00 42.92 39.52 2k4a s ASP 91 CO 0.03 -0.42 0.83 0.33 0.52 0.00 0.00 175.17 176.45 2k4a n PHE 92 N -1.68 0.65 -0.25 -5.34 7.35 0.58 -4.49 117.46 114.29 2k4a n PHE 92 Ca 0.00 -3.39 0.32 0.00 -0.76 0.00 0.00 57.45 53.62 2k4a n PHE 92 Cb 0.55 -0.40 0.73 0.00 0.35 0.00 0.00 39.48 40.71 2k4a n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k4a h ASP 93 N 3.00 0.00 -0.69 -2.13 2.03 -1.89 -3.43 116.42 113.30 2k4a h ASP 93 Ca 0.02 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.25 2k4a h ASP 93 Cb 1.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2k4a h ASP 93 CO 0.51 0.00 -0.09 0.54 -1.03 0.00 0.00 179.24 179.16 2k4a n ARG 94 N -4.10 -0.43 0.18 4.15 3.00 -1.26 -4.84 116.66 113.35 2k4a n ARG 94 Ca 0.22 0.16 0.00 0.00 -0.01 0.00 0.00 57.85 58.23 2k4a n ARG 94 Cb 1.14 -3.74 0.00 0.00 0.00 0.00 0.00 32.46 29.86 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k4a n PHE 95 N -3.84 -3.81 -2.20 -1.55 7.35 -1.26 -5.14 117.46 107.00 2k4a n PHE 95 Ca -0.03 1.11 -0.26 0.00 -0.76 0.00 0.00 57.45 57.51 2k4a n PHE 95 Cb 0.53 2.74 0.11 0.00 0.35 0.00 0.00 39.48 43.21 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k4a s SER 96 N -2.55 4.27 -1.00 -2.13 0.01 -1.26 -4.91 113.70 106.13 2k4a s SER 96 Ca 0.00 0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.28 2k4a s SER 96 Cb 0.00 -0.68 -0.12 0.00 0.21 0.00 0.00 66.02 65.43 2k4a s SER 96 CO 0.00 -1.95 1.92 0.29 0.41 0.00 0.00 173.24 173.91 2k4a n LYS 97 N -3.13 1.53 -1.38 12.44 4.76 -1.26 -4.86 118.16 126.26 2k4a n LYS 97 Ca 0.11 -2.19 -0.45 0.00 -2.87 0.00 0.00 58.31 52.91 2k4a n LYS 97 Cb 0.60 -3.38 -0.01 0.00 -1.84 0.00 0.00 35.03 30.39 2k4a n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k4a n HIS 98 N 11.56 -0.97 -4.31 2.13 -0.00 -1.26 -4.98 115.22 117.39 2k4a n HIS 98 Ca 0.47 0.77 -0.17 0.00 -0.00 0.00 0.00 57.72 58.80 2k4a n HIS 98 Cb 0.44 -1.92 -0.10 0.00 -0.00 0.00 0.00 29.99 28.41 2k4a n HIS 98 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k4a s ASP 99 N -0.96 1.85 -1.11 4.39 2.15 -1.26 -4.92 116.67 116.81 2k4a s ASP 99 Ca 0.62 -1.17 -0.20 0.00 0.43 0.00 0.00 52.55 52.23 2k4a s ASP 99 Cb -0.76 -0.00 0.08 0.00 -0.30 0.00 0.00 42.92 41.94 2k4a s ASP 99 CO 0.59 -0.46 1.47 -0.63 -0.17 0.00 0.00 175.17 175.97 2k4a s ILE 100 N -3.38 4.26 0.40 4.11 1.01 -1.26 -2.56 121.20 123.78 2k4a s ILE 100 Ca 0.26 -1.46 0.24 0.00 0.00 0.00 0.00 60.65 59.69 2k4a s ILE 100 Cb 0.05 -5.03 0.42 0.00 0.01 0.00 0.00 42.46 37.91 2k4a s ILE 100 CO 0.07 -1.85 1.63 0.16 0.00 0.00 0.00 174.94 174.95 2k4a h ILE 101 N 6.02 0.15 -2.31 2.92 -2.65 -1.79 -3.35 117.51 116.50 2k4a h ILE 101 Ca 0.28 -0.04 0.11 0.00 1.03 0.00 0.00 64.86 66.23 2k4a h ILE 101 Cb 0.96 0.01 -0.15 0.00 -2.05 0.00 0.00 36.82 35.59 2k4a h ILE 101 CO 1.36 0.02 0.48 -0.83 0.03 0.00 0.00 178.15 179.21 2k4a s GLY 102 N -4.24 -0.45 -0.30 0.16 0.00 -1.24 -0.14 107.32 101.10 2k4a s GLY 102 Ca -0.08 0.93 -0.07 0.00 0.00 0.00 0.00 44.72 45.49 2k4a s GLY 102 CO 0.81 0.30 0.64 -1.83 0.00 0.00 0.00 173.10 173.02 2k4a s GLU 103 N -3.16 0.56 0.68 2.90 -1.05 0.04 -0.13 118.70 118.55 2k4a s GLU 103 Ca 0.05 1.26 0.01 0.00 -0.15 0.00 0.00 54.97 56.14 2k4a s GLU 103 Cb -0.01 0.74 0.11 0.00 -0.44 0.00 0.00 34.13 34.53 2k4a s GLU 103 CO -0.08 -0.35 0.94 -0.59 0.95 0.00 0.00 175.26 176.12 2k4a s PHE 104 N 2.87 1.76 0.06 4.83 -0.12 0.12 -4.71 117.98 122.79 2k4a s PHE 104 Ca 0.04 -0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 56.37 2k4a s PHE 104 Cb -0.13 -2.87 0.08 0.00 -0.63 0.00 0.00 43.02 39.47 2k4a s PHE 104 CO -0.20 -1.52 0.69 -1.59 -0.05 0.00 0.00 175.22 172.55 2k4a s LYS 105 N -5.03 1.11 -0.09 1.99 0.00 -1.26 0.18 119.74 116.64 2k4a s LYS 105 Ca 0.64 -0.20 -0.05 0.00 0.00 0.00 0.00 55.97 56.37 2k4a s LYS 105 Cb -0.06 0.52 0.04 0.00 0.00 0.00 0.00 37.83 38.33 2k4a s LYS 105 CO 0.43 -0.44 0.21 0.54 0.00 0.00 0.00 175.35 176.09 2k4a s VAL 106 N -2.77 -0.04 -0.70 1.79 0.11 0.15 -4.97 120.40 113.96 2k4a s VAL 106 Ca -0.02 0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 58.92 2k4a s VAL 106 Cb -0.01 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2k4a s VAL 106 CO -0.05 0.06 1.84 -2.84 -3.33 0.00 0.00 175.10 170.78 2k4a s PRO 107 N 1.16 2.66 0.35 1.54 0.02 -1.26 -1.32 135.00 138.15 2k4a s PRO 107 Ca -0.09 0.29 0.15 0.00 0.02 0.00 0.00 61.00 61.37 2k4a s PRO 107 Cb -0.10 -4.58 1.06 0.00 0.02 0.00 0.00 34.50 30.90 2k4a s PRO 107 CO -0.07 -2.86 1.69 0.52 -0.33 0.00 0.00 177.00 175.95 2k4a h MET 108 N 13.62 0.37 -1.03 5.54 2.86 -1.77 0.28 114.93 134.80 2k4a h MET 108 Ca -0.16 -0.02 0.26 0.00 -2.06 0.00 0.00 59.70 57.72 2k4a h MET 108 Cb 1.11 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.59 2k4a h MET 108 CO 1.22 0.25 0.66 -0.97 1.06 0.00 0.00 176.91 179.13 2k4a h ASN 109 N 0.39 0.49 -0.24 1.22 -0.73 -1.69 1.09 115.58 116.11 2k4a h ASN 109 Ca 0.70 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.96 2k4a h ASN 109 Cb 1.60 0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.20 2k4a h ASN 109 CO -0.52 0.10 0.00 0.41 -0.37 0.00 0.00 177.43 177.04 2k4a n THR 110 N -4.66 0.31 -3.20 -3.57 -1.04 0.98 -4.43 114.28 98.67 2k4a n THR 110 Ca 0.25 -0.39 -0.37 0.00 -2.04 0.00 0.00 64.05 61.50 2k4a n THR 110 Cb 0.84 0.31 -0.03 0.00 -1.82 0.00 0.00 70.33 69.64 2k4a n THR 110 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2k4a n VAL 111 N 0.40 4.12 -1.53 12.58 0.31 0.38 -5.01 118.33 129.56 2k4a n VAL 111 Ca 0.14 -5.63 -0.36 0.00 -0.01 0.00 0.00 64.34 58.49 2k4a n VAL 111 Cb 0.32 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.07 2k4a n VAL 111 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2k4a n ASP 112 N 1.21 1.63 -3.53 4.52 5.75 -1.26 -4.79 116.55 120.09 2k4a n ASP 112 Ca 0.27 -0.36 -0.41 0.00 -0.01 0.00 0.00 54.79 54.28 2k4a n ASP 112 Cb 0.36 -1.38 -0.07 0.00 -1.03 0.00 0.00 41.12 39.00 2k4a n ASP 112 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2k4a n PHE 113 N 14.33 1.24 -0.02 2.11 -1.74 -1.26 -4.58 117.46 127.54 2k4a n PHE 113 Ca 0.46 -1.40 -0.16 0.00 -0.56 0.00 0.00 57.45 55.80 2k4a n PHE 113 Cb 0.39 -1.39 -0.09 0.00 1.52 0.00 0.00 39.48 39.90 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k4a h GLY 114 N 14.48 0.47 0.00 4.97 0.00 -2.01 -3.47 103.07 117.50 2k4a h GLY 114 Ca 0.37 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k4a h GLY 114 CO 1.92 0.61 0.00 1.42 0.00 0.00 0.00 176.54 180.49 2k4a n HIS 115 N -4.31 -0.57 -3.75 5.60 8.25 -1.26 -5.15 115.22 114.03 2k4a n HIS 115 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 2k4a n HIS 115 Cb 0.58 0.36 -0.08 0.00 1.12 0.00 0.00 29.99 31.97 2k4a n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k4a s VAL 116 N -0.72 0.07 -0.37 1.59 -7.23 -1.26 -4.47 120.40 108.00 2k4a s VAL 116 Ca 0.00 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.59 2k4a s VAL 116 Cb 0.00 -0.77 0.08 0.00 0.56 0.00 0.00 36.38 36.25 2k4a s VAL 116 CO 0.00 -0.30 0.14 -0.89 -0.31 0.00 0.00 175.10 173.74 2k4a s THR 117 N -1.85 3.38 -0.33 5.32 2.01 0.24 -4.96 115.64 119.45 2k4a s THR 117 Ca -0.10 -1.65 -0.00 0.00 0.31 0.00 0.00 61.69 60.26 2k4a s THR 117 Cb -0.03 -3.12 0.08 0.00 0.01 0.00 0.00 72.50 69.44 2k4a s THR 117 CO 0.01 -0.42 0.05 -1.61 -0.69 0.00 0.00 174.62 171.96 2k4a s GLU 118 N 1.25 2.06 0.03 4.92 2.02 -1.26 0.10 118.70 127.81 2k4a s GLU 118 Ca 0.02 -1.58 -0.08 0.00 0.02 0.00 0.00 54.97 53.35 2k4a s GLU 118 Cb -0.21 -3.26 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 2k4a s GLU 118 CO -0.02 -0.82 0.16 -1.83 0.02 0.00 0.00 175.26 172.78 2k4a s GLU 119 N 1.12 0.61 -1.25 1.61 -1.05 -1.19 -5.06 118.70 113.47 2k4a s GLU 119 Ca 0.02 -0.58 -0.13 0.00 -0.15 0.00 0.00 54.97 54.12 2k4a s GLU 119 Cb -0.20 0.25 0.15 0.00 -0.44 0.00 0.00 34.13 33.88 2k4a s GLU 119 CO -0.04 -0.16 1.63 0.91 0.95 0.00 0.00 175.26 178.54 2k4a n TRP 120 N 0.94 4.40 -1.66 4.83 5.03 -1.26 -3.11 117.44 126.61 2k4a n TRP 120 Ca -0.20 -3.13 -0.47 0.00 3.03 0.00 0.00 57.50 56.73 2k4a n TRP 120 Cb 0.58 -2.23 -0.04 0.00 -1.03 0.00 0.00 31.31 28.59 2k4a n TRP 120 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2k4a n ARG 121 N 5.70 1.95 -3.03 -0.99 3.00 -1.20 -4.77 116.66 117.32 2k4a n ARG 121 Ca 0.40 0.70 -0.33 0.00 -0.00 0.00 0.00 57.85 58.62 2k4a n ARG 121 Cb 0.42 -2.41 -0.06 0.00 0.00 0.00 0.00 32.46 30.40 2k4a n ARG 121 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2k4a s ASP 122 N 0.65 6.89 -0.20 6.15 -4.77 -1.26 0.15 116.67 124.27 2k4a s ASP 122 Ca 0.76 1.44 -0.07 0.00 -3.30 0.00 0.00 52.55 51.39 2k4a s ASP 122 Cb -0.71 -2.44 -0.03 0.00 -1.09 0.00 0.00 42.92 38.65 2k4a s ASP 122 CO 0.43 -0.21 0.05 -0.76 0.70 0.00 0.00 175.17 175.37 2k4a s LEU 123 N -2.86 3.58 -0.15 2.11 1.43 0.30 -4.71 118.68 118.37 2k4a s LEU 123 Ca 0.55 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2k4a s LEU 123 Cb -0.11 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2k4a s LEU 123 CO 0.17 0.10 -0.03 0.00 0.23 0.00 0.00 176.35 176.82 2k4a s GLN 124 N 0.81 3.61 0.73 1.70 -2.07 -1.26 0.12 119.66 123.31 2k4a s GLN 124 Ca 0.03 -0.49 -0.15 0.00 -1.82 0.00 0.00 55.36 52.92 2k4a s GLN 124 Cb -0.14 -2.92 0.04 0.00 -1.09 0.00 0.00 33.01 28.90 2k4a s GLN 124 CO 0.02 0.30 1.20 -1.12 -1.32 0.00 0.00 175.29 174.37 2k4a s SER 125 N 0.21 4.21 0.18 12.60 0.01 -1.26 -0.78 113.70 128.87 2k4a s SER 125 Ca -0.01 2.33 0.03 0.00 1.31 0.00 0.00 55.95 59.60 2k4a s SER 125 Cb -0.14 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2k4a s SER 125 CO 0.03 -2.25 -0.02 0.00 0.41 0.00 0.00 173.24 171.40 2k4a s ALA 126 N -2.02 1.49 -0.48 1.44 0.00 0.80 -4.56 121.76 118.43 2k4a s ALA 126 Ca 0.74 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2k4a s ALA 126 Cb -0.28 0.42 0.15 0.00 0.00 0.00 0.00 23.12 23.40 2k4a s ALA 126 CO 0.45 -0.25 0.30 -1.21 0.00 0.00 0.00 175.76 175.05 2k4a s GLU 127 N -3.87 1.39 0.00 0.00 2.02 -1.26 -4.56 118.70 112.42 2k4a s GLU 127 Ca 0.23 -2.23 0.18 0.00 0.02 0.00 0.00 54.97 53.17 2k4a s GLU 127 Cb 0.05 -2.31 0.14 0.00 0.10 0.00 0.00 34.13 32.12 2k4a s GLU 127 CO 0.04 -1.23 1.07 1.63 0.02 0.00 0.00 175.26 176.79