#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 0.54 0.00 3.49 0.00 -1.26 -4.66 119.74 117.85 2k4a s LYS 2 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 55.97 57.04 2k4a s LYS 2 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 37.83 38.44 2k4a s LYS 2 CO 0.00 -0.47 0.11 -0.11 0.00 0.00 0.00 175.35 174.88 2k4a n LEU 3 N 5.42 0.22 0.00 2.77 7.94 0.76 -4.08 117.00 130.03 2k4a n LEU 3 Ca -0.04 -0.46 0.00 0.00 -1.11 0.00 0.00 56.01 54.40 2k4a n LEU 3 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2k4a n LEU 3 CO 0.00 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 2k4a n GLY 4 N 0.48 0.89 3.01 -3.96 0.00 -0.94 -3.62 105.19 101.06 2k4a n GLY 4 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 0.39 -0.35 1.61 1.02 -0.73 0.23 119.74 121.90 2k4a s LYS 5 Ca 0.00 -0.74 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 2k4a s LYS 5 Cb 0.00 0.14 0.13 0.00 -0.52 0.00 0.00 37.83 37.58 2k4a s LYS 5 CO 0.00 -0.07 0.19 -1.17 -0.92 0.00 0.00 175.35 173.38 2k4a s LEU 6 N -1.79 1.40 0.14 3.17 0.20 0.27 -0.33 118.68 121.74 2k4a s LEU 6 Ca -0.11 -2.05 -0.31 0.00 0.69 0.00 0.00 54.13 52.35 2k4a s LEU 6 Cb -0.06 -0.58 -0.08 0.00 -0.43 0.00 0.00 46.19 45.04 2k4a s LEU 6 CO -0.03 -0.34 1.38 0.00 -0.29 0.00 0.00 176.35 177.07 2k4a s GLN 7 N 1.17 4.33 0.18 1.98 0.00 -1.01 -2.79 119.66 123.52 2k4a s GLN 7 Ca 0.15 2.09 -0.09 0.00 -0.00 0.00 0.00 55.36 57.51 2k4a s GLN 7 Cb -0.21 -3.23 -0.01 0.00 0.00 0.00 0.00 33.01 29.56 2k4a s GLN 7 CO -0.09 -0.40 0.29 1.52 0.00 0.00 0.00 175.29 176.61 2k4a s TYR 8 N 0.84 0.47 -0.30 9.60 -0.85 -0.99 -0.19 117.35 125.92 2k4a s TYR 8 Ca 0.63 -0.82 -0.03 0.00 -0.52 0.00 0.00 57.07 56.33 2k4a s TYR 8 Cb -0.37 -0.08 0.10 0.00 0.38 0.00 0.00 41.96 42.00 2k4a s TYR 8 CO 0.33 -0.74 0.13 -1.54 -1.52 0.00 0.00 175.55 172.20 2k4a s SER 9 N -2.99 3.61 -0.34 -0.18 1.04 0.89 -2.13 113.70 113.60 2k4a s SER 9 Ca 0.20 -1.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.10 2k4a s SER 9 Cb 0.03 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.69 2k4a s SER 9 CO 0.02 -0.43 0.18 -0.76 0.98 0.00 0.00 173.24 173.24 2k4a s LEU 10 N 1.93 4.39 0.48 2.42 1.43 0.28 -2.85 118.68 126.76 2k4a s LEU 10 Ca 0.10 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2k4a s LEU 10 Cb -0.17 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2k4a s LEU 10 CO -0.32 -0.27 0.55 1.51 0.23 0.00 0.00 176.35 178.04 2k4a s ASP 11 N 1.60 5.18 0.24 2.29 1.47 -0.29 0.20 116.67 127.36 2k4a s ASP 11 Ca 0.04 -0.76 0.08 0.00 1.18 0.00 0.00 52.55 53.09 2k4a s ASP 11 Cb -0.18 -0.21 -0.05 0.00 -0.34 0.00 0.00 42.92 42.14 2k4a s ASP 11 CO 0.07 -0.94 -0.11 -0.72 0.68 0.00 0.00 175.17 174.14 2k4a s TYR 12 N -2.54 1.84 0.31 2.11 1.13 -1.22 0.14 117.35 119.12 2k4a s TYR 12 Ca 0.52 -0.61 0.06 0.00 -1.41 0.00 0.00 57.07 55.63 2k4a s TYR 12 Cb -0.06 -0.93 -0.06 0.00 -1.10 0.00 0.00 41.96 39.81 2k4a s TYR 12 CO 0.31 0.35 -0.01 0.34 -2.51 0.00 0.00 175.55 174.04 2k4a s ASP 13 N -3.38 2.75 0.00 -0.18 -1.08 -0.94 -4.87 116.67 108.97 2k4a s ASP 13 Ca 0.26 -1.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 2k4a s ASP 13 Cb 0.01 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.30 2k4a s ASP 13 CO 0.09 -0.45 0.00 2.22 0.52 0.00 0.00 175.17 177.55 2k4a n PHE 14 N -0.67 0.00 -0.02 -5.34 -1.74 -1.26 -4.23 117.46 104.20 2k4a n PHE 14 Ca -0.04 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.71 2k4a n PHE 14 Cb 0.65 0.05 -0.02 0.00 1.52 0.00 0.00 39.48 41.67 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -0.56 0.00 0.00 176.76 175.64 2k4a h GLN 15 N 0.00 0.72 0.00 3.97 -0.00 -1.98 -3.16 115.11 114.65 2k4a h GLN 15 Ca 0.00 -0.52 -0.17 0.00 -0.00 0.00 0.00 58.65 57.97 2k4a h GLN 15 Cb 0.65 0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 28.19 2k4a h GLN 15 CO 0.00 1.14 -1.12 -2.95 -0.00 0.00 0.00 178.83 175.90 2k4a h ASN 16 N 0.52 0.00 -4.64 0.06 7.08 -2.02 -3.49 115.58 113.09 2k4a h ASN 16 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2k4a h ASN 16 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 2k4a h ASN 16 CO 0.13 0.64 -0.02 0.59 -2.08 0.00 0.00 177.43 176.69 2k4a n ASN 17 N -3.06 -6.04 -3.57 6.14 3.02 -1.20 -4.86 115.26 105.68 2k4a n ASN 17 Ca -0.06 -0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.35 2k4a n ASN 17 Cb 0.84 -4.01 -0.05 0.00 -0.61 0.00 0.00 39.78 35.95 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k4a s GLN 18 N -2.94 0.68 0.04 3.52 1.03 -1.22 -1.37 119.66 119.41 2k4a s GLN 18 Ca 0.01 0.22 -0.15 0.00 0.04 0.00 0.00 55.36 55.48 2k4a s GLN 18 Cb -0.00 0.32 -0.06 0.00 0.03 0.00 0.00 33.01 33.30 2k4a s GLN 18 CO 0.52 -0.20 0.46 -0.51 -2.54 0.00 0.00 175.29 173.02 2k4a s LEU 19 N -0.98 4.46 -1.09 2.60 1.43 0.28 -2.22 118.68 123.15 2k4a s LEU 19 Ca -0.03 1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.96 2k4a s LEU 19 Cb -0.01 -2.78 0.20 0.00 0.03 0.00 0.00 46.19 43.63 2k4a s LEU 19 CO 0.03 0.27 1.22 -0.22 0.23 0.00 0.00 176.35 177.87 2k4a s LEU 20 N -1.29 5.64 -0.60 1.79 1.98 0.36 -1.86 118.68 124.69 2k4a s LEU 20 Ca 0.28 -3.00 -0.27 0.00 -2.89 0.00 0.00 54.13 48.24 2k4a s LEU 20 Cb -0.17 -2.32 0.03 0.00 0.66 0.00 0.00 46.19 44.40 2k4a s LEU 20 CO 0.16 -0.63 1.14 -0.69 -1.89 0.00 0.00 176.35 174.44 2k4a s VAL 21 N 0.72 4.06 -0.31 1.68 1.01 -1.07 -1.13 120.40 125.36 2k4a s VAL 21 Ca 0.35 0.66 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 2k4a s VAL 21 Cb -0.06 -4.71 0.05 0.00 0.00 0.00 0.00 36.38 31.65 2k4a s VAL 21 CO -0.05 -1.37 0.02 -0.83 0.00 0.00 0.00 175.10 172.87 2k4a s GLY 22 N 3.07 1.77 -0.38 4.51 0.00 -1.13 0.35 107.32 115.50 2k4a s GLY 22 Ca 0.38 -1.76 -0.17 0.00 0.00 0.00 0.00 44.72 43.18 2k4a s GLY 22 CO 0.22 0.71 0.42 -0.26 0.00 0.00 0.00 173.10 174.19 2k4a s ILE 23 N 1.28 5.10 0.03 0.90 -0.00 -1.16 -0.07 121.20 127.29 2k4a s ILE 23 Ca -0.05 -0.11 -0.16 0.00 -0.00 0.00 0.00 60.65 60.34 2k4a s ILE 23 Cb -0.20 -3.95 -0.08 0.00 -0.00 0.00 0.00 42.46 38.23 2k4a s ILE 23 CO -0.00 -0.28 1.24 0.40 -0.00 0.00 0.00 174.94 176.30 2k4a h ILE 24 N 5.65 0.00 -1.82 8.37 2.04 -0.92 -1.00 117.51 129.83 2k4a h ILE 24 Ca -0.28 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.66 2k4a h ILE 24 Cb 1.12 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 37.00 2k4a h ILE 24 CO 0.76 0.00 0.50 0.00 0.00 0.00 0.00 178.15 179.40 2k4a s GLN 25 N -4.24 0.71 0.05 2.37 1.03 -1.17 -0.58 119.66 117.83 2k4a s GLN 25 Ca -0.08 0.02 0.02 0.00 0.04 0.00 0.00 55.36 55.37 2k4a s GLN 25 Cb 0.02 0.33 -0.04 0.00 0.03 0.00 0.00 33.01 33.35 2k4a s GLN 25 CO 0.26 -0.25 0.05 0.00 -2.54 0.00 0.00 175.29 172.81 2k4a s ALA 26 N -1.73 3.47 0.05 2.60 0.00 -1.15 -2.39 121.76 122.60 2k4a s ALA 26 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2k4a s ALA 26 Cb -0.01 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2k4a s ALA 26 CO -0.01 0.71 -0.05 0.00 0.00 0.00 0.00 175.76 176.42 2k4a s ALA 27 N -1.28 0.49 -0.86 0.00 0.00 0.55 -3.28 121.76 117.37 2k4a s ALA 27 Ca 0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 2k4a s ALA 27 Cb -0.12 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2k4a s ALA 27 CO 0.18 -0.19 0.41 0.39 0.00 0.00 0.00 175.76 176.54 2k4a n GLU 28 N 0.88 -3.11 -2.64 0.00 1.02 -0.93 -1.78 120.64 114.09 2k4a n GLU 28 Ca -0.19 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.05 2k4a n GLU 28 Cb 0.58 -4.53 -0.05 0.00 -0.02 0.00 0.00 31.44 27.42 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4a s LEU 29 N -4.10 4.53 0.76 -4.62 1.43 -1.01 -3.74 118.68 111.92 2k4a s LEU 29 Ca 0.20 1.96 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 2k4a s LEU 29 Cb -0.09 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.56 2k4a s LEU 29 CO 0.25 -0.09 0.95 -2.65 0.23 0.00 0.00 176.35 175.04 2k4a n PRO 30 N 2.30 0.34 -2.93 1.29 -0.02 -1.26 -4.80 135.00 129.93 2k4a n PRO 30 Ca 0.01 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 2k4a n PRO 30 Cb 0.47 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -1.95 3.54 -0.08 3.55 0.00 -1.26 -4.59 121.76 120.97 2k4a s ALA 31 Ca 0.71 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2k4a s ALA 31 Cb -0.32 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2k4a s ALA 31 CO 0.52 -0.68 -0.09 -0.11 0.00 0.00 0.00 175.76 175.40 2k4a n LEU 32 N 5.33 1.37 -4.76 0.00 -0.00 -0.61 -4.88 117.00 113.45 2k4a n LEU 32 Ca 0.04 0.05 -0.35 0.00 -0.00 0.00 0.00 56.01 55.75 2k4a n LEU 32 Cb 0.49 -0.25 0.03 0.00 -0.00 0.00 0.00 43.42 43.68 2k4a n LEU 32 CO 0.47 0.32 0.78 -0.62 -0.00 0.00 0.00 177.39 178.35 2k4a s ASP 33 N -5.42 5.31 -1.06 1.96 -1.08 0.26 -4.87 116.67 111.77 2k4a s ASP 33 Ca -0.11 2.19 -0.22 0.00 -0.52 0.00 0.00 52.55 53.89 2k4a s ASP 33 Cb 0.04 -2.58 -0.10 0.00 -1.46 0.00 0.00 42.92 38.82 2k4a s ASP 33 CO 0.16 -1.50 1.92 0.80 0.52 0.00 0.00 175.17 177.07 2k4a n MET 34 N -1.80 1.73 0.00 4.34 0.00 -1.26 -3.68 117.12 116.45 2k4a n MET 34 Ca 0.12 -2.32 0.00 0.00 -0.00 0.00 0.00 57.70 55.50 2k4a n MET 34 Cb 0.51 -3.41 0.00 0.00 0.00 0.00 0.00 33.22 30.31 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 5.26 0.00 3.38 -5.12 0.00 -1.26 -4.96 105.19 102.50 2k4a n GLY 35 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.48 3.09 -0.02 0.00 -1.24 -4.88 105.19 101.66 2k4a n GLY 36 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.75 0.00 -3.92 2.61 -2.24 -1.25 -4.87 114.28 100.86 2k4a n THR 37 Ca 0.00 -1.08 -0.11 0.00 -2.27 0.00 0.00 64.05 60.60 2k4a n THR 37 Cb 0.53 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 2k4a n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k4a s SER 38 N -2.79 0.28 -0.73 3.42 0.01 -1.26 0.93 113.70 113.56 2k4a s SER 38 Ca 0.17 -1.20 0.03 0.00 1.31 0.00 0.00 55.95 56.27 2k4a s SER 38 Cb -0.03 0.76 0.30 0.00 0.21 0.00 0.00 66.02 67.25 2k4a s SER 38 CO 0.13 -1.48 1.05 0.47 0.41 0.00 0.00 173.24 173.81 2k4a n ASP 39 N -1.24 4.81 -4.70 2.44 9.92 -1.26 0.37 116.55 126.89 2k4a n ASP 39 Ca -0.04 -3.56 -0.42 0.00 -0.53 0.00 0.00 54.79 50.24 2k4a n ASP 39 Cb 0.61 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 40.28 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 -3.09 4.44 -0.02 -0.24 0.04 -1.24 -0.24 135.00 134.65 2k4a s PRO 40 Ca 0.42 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2k4a s PRO 40 Cb 0.19 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2k4a s PRO 40 CO -0.05 -0.26 0.02 1.52 0.04 0.00 0.00 177.00 178.26 2k4a s TYR 41 N 1.41 0.15 -0.02 0.56 -0.85 0.47 -3.68 117.35 115.38 2k4a s TYR 41 Ca 0.56 0.07 -0.26 0.00 -0.52 0.00 0.00 57.07 56.91 2k4a s TYR 41 Cb -0.26 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 2k4a s TYR 41 CO 0.26 -0.10 0.82 0.14 -1.52 0.00 0.00 175.55 175.15 2k4a s VAL 42 N 0.97 4.92 -0.28 -3.49 -7.23 -1.26 0.14 120.40 114.17 2k4a s VAL 42 Ca -0.09 1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 61.76 2k4a s VAL 42 Cb -0.12 -4.16 0.03 0.00 0.56 0.00 0.00 36.38 32.69 2k4a s VAL 42 CO -0.02 0.24 0.00 -1.59 -0.31 0.00 0.00 175.10 173.42 2k4a s LYS 43 N 0.73 2.78 0.07 4.82 -2.85 0.21 -1.72 119.74 123.78 2k4a s LYS 43 Ca 0.43 -1.04 -0.31 0.00 -1.00 0.00 0.00 55.97 54.06 2k4a s LYS 43 Cb -0.19 -3.17 -0.07 0.00 -2.06 0.00 0.00 37.83 32.34 2k4a s LYS 43 CO 0.23 -0.49 1.32 0.14 0.10 0.00 0.00 175.35 176.65 2k4a s VAL 44 N 1.36 3.64 0.19 1.79 -7.23 -0.42 -2.47 120.40 117.25 2k4a s VAL 44 Ca -0.01 1.15 0.04 0.00 -1.81 0.00 0.00 61.98 61.36 2k4a s VAL 44 Cb -0.18 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 32.97 2k4a s VAL 44 CO -0.01 0.07 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.43 2k4a s PHE 45 N 1.36 1.40 0.15 2.82 0.08 0.21 -3.85 117.98 120.15 2k4a s PHE 45 Ca 0.62 -0.84 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2k4a s PHE 45 Cb -0.33 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 2k4a s PHE 45 CO 0.29 0.02 0.01 -0.51 -0.10 0.00 0.00 175.22 174.93 2k4a s LEU 46 N -3.23 2.08 0.00 -0.37 2.01 -1.26 0.51 118.68 118.42 2k4a s LEU 46 Ca 0.22 -1.16 -0.06 0.00 0.01 0.00 0.00 54.13 53.14 2k4a s LEU 46 Cb 0.04 0.03 0.09 0.00 0.01 0.00 0.00 46.19 46.36 2k4a s LEU 46 CO 0.04 -0.60 0.24 0.00 1.01 0.00 0.00 176.35 177.05 2k4a n LEU 47 N -0.18 0.00 -0.13 1.79 -0.00 -1.02 -4.31 117.00 113.14 2k4a n LEU 47 Ca -0.07 -0.25 0.13 0.00 -0.00 0.00 0.00 56.01 55.82 2k4a n LEU 47 Cb 0.63 -0.25 0.23 0.00 -0.00 0.00 0.00 43.42 44.03 2k4a n LEU 47 CO 0.32 -1.59 0.42 -2.65 -0.00 0.00 0.00 177.39 173.89 2k4a n PRO 48 N -2.67 -0.02 -0.35 1.47 -0.01 -1.26 0.75 135.00 132.90 2k4a n PRO 48 Ca 0.04 0.52 0.09 0.00 -0.01 0.00 0.00 63.50 64.14 2k4a n PRO 48 Cb 0.15 -0.95 0.19 0.00 -0.01 0.00 0.00 33.50 32.88 2k4a n PRO 48 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 175.50 175.71 2k4a h ASP 49 N 0.00 -0.76 -4.74 2.55 3.58 -1.92 -3.43 116.42 111.70 2k4a h ASP 49 Ca 0.33 0.29 -0.02 0.00 0.42 0.00 0.00 57.03 58.05 2k4a h ASP 49 Cb 0.90 0.57 -0.01 0.00 1.72 0.00 0.00 39.33 42.51 2k4a h ASP 49 CO -0.28 -0.34 -0.02 0.29 -2.88 0.00 0.00 179.24 176.01 2k4a n LYS 50 N -5.57 -2.78 -2.02 0.28 4.76 0.23 -4.77 118.16 108.28 2k4a n LYS 50 Ca 0.18 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.26 2k4a n LYS 50 Cb 0.59 -4.14 0.01 0.00 -1.84 0.00 0.00 35.03 29.65 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 -2.34 3.62 0.00 1.97 5.02 -1.26 -4.79 118.16 120.37 2k4a n LYS 51 Ca 0.00 -3.54 0.00 0.00 -2.02 0.00 0.00 58.31 52.75 2k4a n LYS 51 Cb 0.46 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 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 0.22 0.00 -3.49 1.97 2.85 -1.26 -4.42 118.16 114.02 2k4a n LYS 52 Ca 0.52 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.51 2k4a n LYS 52 Cb 0.31 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.56 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 0.32 -0.05 -1.58 2.20 -1.26 -4.55 119.74 114.82 2k4a s LYS 53 Ca 0.00 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.94 2k4a s LYS 53 Cb 0.00 -1.12 -0.00 0.00 -1.51 0.00 0.00 37.83 35.20 2k4a s LYS 53 CO 0.00 -1.08 -0.18 0.12 -0.36 0.00 0.00 175.35 173.85 2k4a s PHE 54 N 1.83 1.79 -0.05 4.03 5.36 -1.25 -5.04 117.98 124.64 2k4a s PHE 54 Ca 0.12 -0.53 0.04 0.00 -0.96 0.00 0.00 56.93 55.59 2k4a s PHE 54 Cb -0.18 -1.20 -0.03 0.00 -0.34 0.00 0.00 43.02 41.27 2k4a s PHE 54 CO -0.25 -0.19 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.18 2k4a s GLU 55 N 0.08 2.50 0.64 10.12 2.12 -1.26 -1.31 118.70 131.59 2k4a s GLU 55 Ca -0.05 -0.70 -0.07 0.00 0.36 0.00 0.00 54.97 54.51 2k4a s GLU 55 Cb -0.12 -2.38 0.03 0.00 0.26 0.00 0.00 34.13 31.92 2k4a s GLU 55 CO 0.03 0.62 0.96 0.95 -0.54 0.00 0.00 175.26 177.28 2k4a s THR 56 N -0.73 3.18 0.15 -1.70 -4.23 -0.70 -5.02 115.64 106.59 2k4a s THR 56 Ca 0.11 -0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.30 2k4a s THR 56 Cb -0.11 -3.31 -0.08 0.00 1.34 0.00 0.00 72.50 70.34 2k4a s THR 56 CO 0.01 -0.34 1.32 -0.75 -0.54 0.00 0.00 174.62 174.32 2k4a s LYS 57 N -5.12 4.37 0.38 3.99 2.20 -1.26 -4.77 119.74 119.52 2k4a s LYS 57 Ca 0.56 2.02 -0.28 0.00 -0.36 0.00 0.00 55.97 57.92 2k4a s LYS 57 Cb -0.11 -3.23 -0.11 0.00 -1.51 0.00 0.00 37.83 32.87 2k4a s LYS 57 CO 0.46 -0.32 1.49 1.55 -0.36 0.00 0.00 175.35 178.17 2k4a n VAL 58 N 3.27 1.98 -3.84 4.02 3.14 -1.26 -4.76 118.33 120.89 2k4a n VAL 58 Ca 0.08 -0.49 -0.34 0.00 -2.96 0.00 0.00 64.34 60.63 2k4a n VAL 58 Cb 0.43 -1.98 -0.12 0.00 -1.06 0.00 0.00 33.84 31.12 2k4a n VAL 58 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2k4a s HIS 59 N -1.09 3.44 0.06 1.45 0.09 -1.24 -5.03 115.29 112.97 2k4a s HIS 59 Ca 0.53 -2.82 -0.30 0.00 -0.00 0.00 0.00 55.06 52.47 2k4a s HIS 59 Cb -0.48 -3.07 -0.09 0.00 -0.00 0.00 0.00 32.58 28.95 2k4a s HIS 59 CO 0.64 -0.86 1.90 -0.98 -0.00 0.00 0.00 174.74 175.44 2k4a s ARG 60 N 0.28 4.14 -0.58 1.40 1.04 -1.26 -3.58 118.95 120.39 2k4a s ARG 60 Ca 0.14 2.59 -0.16 0.00 -1.04 0.00 0.00 55.73 57.26 2k4a s ARG 60 Cb -0.22 -3.95 0.02 0.00 -2.04 0.00 0.00 34.95 28.76 2k4a s ARG 60 CO -0.03 -0.91 0.64 1.63 -0.04 0.00 0.00 175.30 176.59 2k4a n LYS 61 N 6.85 -1.88 -3.64 3.89 4.76 -0.86 -4.96 118.16 122.33 2k4a n LYS 61 Ca 0.19 1.55 -0.08 0.00 -2.87 0.00 0.00 58.31 57.10 2k4a n LYS 61 Cb 0.40 -4.09 -0.07 0.00 -1.84 0.00 0.00 35.03 29.43 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 -2.45 0.00 -0.69 -0.18 -1.32 0.16 -4.83 115.64 106.32 2k4a s THR 62 Ca 0.19 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.76 2k4a s THR 62 Cb -0.03 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.22 2k4a s THR 62 CO 0.82 0.00 1.22 0.18 -2.21 0.00 0.00 174.62 174.62 2k4a n LEU 63 N 3.11 2.80 -2.79 9.08 4.77 -1.26 -4.16 117.00 128.56 2k4a n LEU 63 Ca -0.16 -2.08 -0.10 0.00 -0.03 0.00 0.00 56.01 53.64 2k4a n LEU 63 Cb 0.57 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2k4a n LEU 63 CO 0.02 0.68 0.27 -3.20 -1.33 0.00 0.00 177.39 173.83 2k4a n ASN 64 N 0.23 -1.70 -4.76 -1.43 5.15 -1.26 -2.19 115.26 109.31 2k4a n ASN 64 Ca 0.10 -3.37 -0.38 0.00 -0.60 0.00 0.00 54.58 50.33 2k4a n ASN 64 Cb 0.43 1.34 -0.06 0.00 -0.53 0.00 0.00 39.78 40.96 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 -0.24 4.28 0.26 1.20 0.04 -1.20 -4.90 135.00 134.44 2k4a s PRO 65 Ca 0.25 0.61 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2k4a s PRO 65 Cb 0.32 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 2k4a s PRO 65 CO -0.06 0.32 0.38 0.14 0.04 0.00 0.00 177.00 177.82 2k4a s VAL 66 N 0.02 5.09 0.00 -0.36 -7.23 -1.26 -2.94 120.40 113.71 2k4a s VAL 66 Ca 0.29 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 2k4a s VAL 66 Cb -0.17 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 32.97 2k4a s VAL 66 CO 0.15 -0.31 0.00 0.33 -0.31 0.00 0.00 175.10 174.96 2k4a n PHE 67 N -1.45 -0.91 -2.92 2.82 -0.00 0.26 -4.97 117.46 110.28 2k4a n PHE 67 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.24 2k4a n PHE 67 Cb 0.57 0.18 0.03 0.00 -0.00 0.00 0.00 39.48 40.27 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k4a n ASN 68 N -1.86 -4.37 -4.76 -2.13 5.15 -0.38 -4.97 115.26 101.94 2k4a n ASN 68 Ca 0.00 -0.24 -0.39 0.00 -0.60 0.00 0.00 54.58 53.35 2k4a n ASN 68 Cb 0.00 -3.09 0.03 0.00 -0.53 0.00 0.00 39.78 36.18 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 -5.49 3.35 -0.36 1.20 2.12 -1.20 -4.61 118.70 113.71 2k4a s GLU 69 Ca 0.26 2.23 -0.17 0.00 0.36 0.00 0.00 54.97 57.65 2k4a s GLU 69 Cb -0.11 -2.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.89 2k4a s GLU 69 CO 0.32 -1.02 0.45 -1.14 -0.54 0.00 0.00 175.26 173.34 2k4a s GLN 70 N -2.76 3.53 -0.35 4.30 -0.44 -1.26 -2.97 119.66 119.71 2k4a s GLN 70 Ca 0.68 -0.32 -0.19 0.00 -2.50 0.00 0.00 55.36 53.02 2k4a s GLN 70 Cb -0.40 -3.83 -0.00 0.00 -1.64 0.00 0.00 33.01 27.14 2k4a s GLN 70 CO 0.48 -0.63 0.59 0.12 0.50 0.00 0.00 175.29 176.35 2k4a s PHE 71 N 2.24 3.17 -1.00 1.67 5.36 0.16 -4.98 117.98 124.60 2k4a s PHE 71 Ca 0.16 0.30 -0.23 0.00 -0.96 0.00 0.00 56.93 56.19 2k4a s PHE 71 Cb -0.16 -3.04 0.01 0.00 -0.34 0.00 0.00 43.02 39.49 2k4a s PHE 71 CO 0.13 -0.58 1.66 0.99 -1.46 0.00 0.00 175.22 175.96 2k4a s THR 72 N 2.58 3.74 -1.36 0.12 2.01 -1.26 -2.59 115.64 118.87 2k4a s THR 72 Ca 0.22 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2k4a s THR 72 Cb -0.15 -4.66 0.03 0.00 0.01 0.00 0.00 72.50 67.73 2k4a s THR 72 CO 0.14 -1.55 2.07 0.33 -0.69 0.00 0.00 174.62 174.92 2k4a n PHE 73 N 10.92 3.71 -1.85 4.92 7.35 -0.78 -4.87 117.46 136.87 2k4a n PHE 73 Ca 0.37 -2.83 -0.42 0.00 -0.76 0.00 0.00 57.45 53.81 2k4a n PHE 73 Cb 0.49 -2.53 -0.03 0.00 0.35 0.00 0.00 39.48 37.77 2k4a n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k4a s LYS 74 N 3.68 3.10 0.00 -4.13 -0.14 -1.26 -0.56 119.74 120.43 2k4a s LYS 74 Ca 0.50 1.52 0.00 0.00 -1.36 0.00 0.00 55.97 56.63 2k4a s LYS 74 Cb 0.11 -4.30 0.00 0.00 -1.68 0.00 0.00 37.83 31.96 2k4a s LYS 74 CO -0.02 -2.14 0.00 1.55 -0.76 0.00 0.00 175.35 173.98 2k4a n VAL 75 N 7.55 0.00 -1.72 3.17 3.14 -0.47 -4.78 118.33 125.22 2k4a n VAL 75 Ca 0.26 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.21 2k4a n VAL 75 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.23 2k4a n VAL 75 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k4a n PRO 76 N 0.00 2.54 -0.33 1.45 -0.02 -1.20 -3.37 135.00 134.07 2k4a n PRO 76 Ca 0.00 0.91 0.26 0.00 -2.02 0.00 0.00 63.50 62.65 2k4a n PRO 76 Cb 0.00 -2.69 0.56 0.00 -0.02 0.00 0.00 33.50 31.35 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 5.41 0.54 -0.82 6.00 -0.00 -1.86 0.78 116.97 127.03 2k4a h TYR 77 Ca -0.45 0.02 -0.04 0.00 0.00 0.00 0.00 58.73 58.25 2k4a h TYR 77 Cb 1.23 -0.15 -0.04 0.00 0.00 0.00 0.00 36.73 37.77 2k4a h TYR 77 CO 0.60 0.02 0.34 0.66 -0.00 0.00 0.00 178.16 179.78 2k4a h SER 78 N 0.30 1.11 0.94 0.10 4.64 -1.98 -2.70 113.55 115.96 2k4a h SER 78 Ca 0.61 -0.17 -0.22 0.00 -0.47 0.00 0.00 61.79 61.55 2k4a h SER 78 Cb 1.73 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 2k4a h SER 78 CO -0.27 0.97 -1.07 -0.08 -0.87 0.00 0.00 176.83 175.52 2k4a h GLU 79 N 1.18 0.01 -1.07 4.77 4.81 -0.09 -3.32 114.58 120.87 2k4a h GLU 79 Ca 0.27 -0.02 0.35 0.00 -0.13 0.00 0.00 59.36 59.84 2k4a h GLU 79 Cb 0.20 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.44 2k4a h GLU 79 CO -0.03 0.97 0.63 1.25 -0.73 0.00 0.00 179.01 181.11 2k4a h LEU 80 N 0.00 0.43 -0.99 1.64 6.46 0.38 -0.26 115.31 122.97 2k4a h LEU 80 Ca -0.04 0.18 0.28 0.00 -0.12 0.00 0.00 57.88 58.18 2k4a h LEU 80 Cb 1.80 0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 41.73 2k4a h LEU 80 CO 0.13 -0.16 0.55 1.23 -0.62 0.00 0.00 178.44 179.57 2k4a h GLY 81 N 0.25 1.93 -1.71 3.75 0.00 -1.66 0.48 103.07 106.10 2k4a h GLY 81 Ca 0.75 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2k4a h GLY 81 CO -0.56 -0.36 0.00 0.61 0.00 0.00 0.00 176.54 176.24 2k4a n GLY 82 N -1.31 1.40 3.63 4.60 0.00 -0.11 -3.50 105.19 109.90 2k4a n GLY 82 Ca 0.28 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.68 2.01 -0.26 1.61 3.01 0.17 -4.94 119.74 119.66 2k4a s LYS 83 Ca 0.24 -1.96 -0.02 0.00 -1.01 0.00 0.00 55.97 53.22 2k4a s LYS 83 Cb 0.15 -1.77 0.12 0.00 -1.01 0.00 0.00 37.83 35.33 2k4a s LYS 83 CO 0.11 0.01 0.28 0.99 0.51 0.00 0.00 175.35 177.25 2k4a s THR 84 N -2.64 -0.40 0.31 2.17 2.01 -1.26 -2.88 115.64 112.95 2k4a s THR 84 Ca 0.36 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 2k4a s THR 84 Cb 0.06 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.60 2k4a s THR 84 CO 0.19 -0.34 1.07 -1.48 -0.69 0.00 0.00 174.62 173.37 2k4a s LEU 85 N 2.37 4.45 -0.06 4.42 2.34 -1.25 -2.43 118.68 128.52 2k4a s LEU 85 Ca 0.09 2.19 0.00 0.00 0.06 0.00 0.00 54.13 56.47 2k4a s LEU 85 Cb -0.15 -3.78 0.02 0.00 -0.56 0.00 0.00 46.19 41.73 2k4a s LEU 85 CO -0.24 -0.22 -0.03 0.68 -1.06 0.00 0.00 176.35 175.48 2k4a s VAL 86 N -1.30 0.52 -0.34 1.48 -7.23 0.18 -3.11 120.40 110.60 2k4a s VAL 86 Ca 0.48 -0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.53 2k4a s VAL 86 Cb -0.29 -0.58 0.04 0.00 0.56 0.00 0.00 36.38 36.11 2k4a s VAL 86 CO 0.37 0.25 0.11 -0.32 -0.31 0.00 0.00 175.10 175.20 2k4a s MET 87 N 1.31 2.62 -0.19 4.82 0.00 0.24 0.67 119.30 128.78 2k4a s MET 87 Ca -0.05 -1.19 -0.06 0.00 0.00 0.00 0.00 55.69 54.39 2k4a s MET 87 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 34.83 31.18 2k4a s MET 87 CO -0.02 -0.68 0.03 0.00 0.00 0.00 0.00 175.02 174.35 2k4a s ALA 88 N 1.41 3.23 -0.39 4.11 0.00 -1.03 0.36 121.76 129.43 2k4a s ALA 88 Ca -0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 2k4a s ALA 88 Cb -0.20 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.08 2k4a s ALA 88 CO 0.03 0.02 0.77 0.54 0.00 0.00 0.00 175.76 177.12 2k4a s VAL 89 N 0.68 4.71 -0.06 0.00 0.11 0.41 0.68 120.40 126.93 2k4a s VAL 89 Ca 0.02 0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 59.73 2k4a s VAL 89 Cb -0.14 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.44 2k4a s VAL 89 CO 0.02 -0.52 0.16 -0.47 -3.33 0.00 0.00 175.10 170.96 2k4a s TYR 90 N 3.14 3.57 0.23 1.54 5.04 0.36 -3.10 117.35 128.13 2k4a s TYR 90 Ca 0.30 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.39 2k4a s TYR 90 Cb -0.13 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.27 2k4a s TYR 90 CO 0.19 0.69 0.39 0.34 -1.34 0.00 0.00 175.55 175.81 2k4a s ASP 91 N -1.53 6.34 -0.35 4.32 2.15 -1.09 0.18 116.67 126.69 2k4a s ASP 91 Ca 0.22 0.24 0.15 0.00 0.43 0.00 0.00 52.55 53.59 2k4a s ASP 91 Cb -0.12 -1.94 0.45 0.00 -0.30 0.00 0.00 42.92 41.01 2k4a s ASP 91 CO 0.12 -0.08 0.99 0.33 -0.17 0.00 0.00 175.17 176.37 2k4a n PHE 92 N -1.10 1.71 -0.40 -5.34 7.35 0.66 -4.57 117.46 115.77 2k4a n PHE 92 Ca -0.07 -2.84 0.32 0.00 -0.76 0.00 0.00 57.45 54.10 2k4a n PHE 92 Cb 0.55 -0.30 0.62 0.00 0.35 0.00 0.00 39.48 40.69 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 2.88 0.28 -1.46 -2.13 2.03 -1.90 -3.43 116.42 112.70 2k4a h ASP 93 Ca -0.00 0.10 -0.07 0.00 -0.73 0.00 0.00 57.03 56.33 2k4a h ASP 93 Cb 1.12 0.06 0.02 0.00 -0.83 0.00 0.00 39.33 39.70 2k4a h ASP 93 CO 0.58 -0.05 -0.10 0.54 -1.03 0.00 0.00 179.24 179.17 2k4a n ARG 94 N -4.58 -1.04 0.20 4.15 1.74 -1.26 -4.85 116.66 111.02 2k4a n ARG 94 Ca 0.32 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2k4a n ARG 94 Cb 1.23 -3.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4a n PHE 95 N -3.18 -4.39 -2.34 -1.55 7.35 -1.26 -5.15 117.46 106.95 2k4a n PHE 95 Ca -0.01 1.37 -0.25 0.00 -0.76 0.00 0.00 57.45 57.80 2k4a n PHE 95 Cb 0.51 3.48 0.09 0.00 0.35 0.00 0.00 39.48 43.92 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 -2.00 4.48 -0.70 -2.13 0.01 -1.26 -4.94 113.70 107.16 2k4a s SER 96 Ca 0.00 0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.12 2k4a s SER 96 Cb 0.00 -0.63 -0.06 0.00 0.21 0.00 0.00 66.02 65.54 2k4a s SER 96 CO 0.00 -1.78 2.09 -0.54 0.41 0.00 0.00 173.24 173.42 2k4a s LYS 97 N -5.24 2.32 -0.47 12.44 -0.14 -1.26 -4.84 119.74 122.54 2k4a s LYS 97 Ca 0.64 0.50 -0.42 0.00 -1.36 0.00 0.00 55.97 55.33 2k4a s LYS 97 Cb -0.08 -4.68 -0.18 0.00 -1.68 0.00 0.00 37.83 31.20 2k4a s LYS 97 CO 0.45 -3.32 1.86 0.72 -0.76 0.00 0.00 175.35 174.29 2k4a n HIS 98 N 14.77 1.26 -3.55 3.18 8.25 -1.26 -4.90 115.22 132.97 2k4a n HIS 98 Ca 0.34 0.83 -0.21 0.00 -0.26 0.00 0.00 57.72 58.42 2k4a n HIS 98 Cb 0.50 -2.13 -0.01 0.00 1.12 0.00 0.00 29.99 29.47 2k4a n HIS 98 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k4a s ASP 99 N 4.79 6.11 -0.75 0.41 2.15 -1.26 -4.88 116.67 123.23 2k4a s ASP 99 Ca 1.08 0.06 -0.15 0.00 0.43 0.00 0.00 52.55 53.97 2k4a s ASP 99 Cb -1.41 -1.60 0.18 0.00 -0.30 0.00 0.00 42.92 39.79 2k4a s ASP 99 CO 0.67 -0.33 0.73 -0.63 -0.17 0.00 0.00 175.17 175.43 2k4a s ILE 100 N -2.19 5.38 0.44 4.11 1.01 -1.26 -2.67 121.20 126.02 2k4a s ILE 100 Ca 0.41 -2.05 0.20 0.00 0.00 0.00 0.00 60.65 59.22 2k4a s ILE 100 Cb -0.09 -4.47 0.40 0.00 0.01 0.00 0.00 42.46 38.31 2k4a s ILE 100 CO 0.32 -1.04 1.85 0.16 0.00 0.00 0.00 174.94 176.23 2k4a h ILE 101 N 5.22 0.63 0.00 2.92 -2.65 -1.84 -3.34 117.51 118.45 2k4a h ILE 101 Ca -0.02 -0.11 0.00 0.00 1.03 0.00 0.00 64.86 65.76 2k4a h ILE 101 Cb 1.06 0.27 0.00 0.00 -2.05 0.00 0.00 36.82 36.10 2k4a h ILE 101 CO 0.88 0.06 0.00 0.61 0.03 0.00 0.00 178.15 179.73 2k4a n GLY 102 N -1.55 -1.44 3.70 0.16 0.00 -1.25 -3.48 105.19 101.33 2k4a n GLY 102 Ca 0.20 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 2k4a n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4a s GLU 103 N -1.69 1.61 -0.03 1.61 -1.05 0.19 -0.45 118.70 118.89 2k4a s GLU 103 Ca 0.00 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 53.83 2k4a s GLU 103 Cb 0.00 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.28 2k4a s GLU 103 CO 0.00 -0.72 0.19 -0.59 0.95 0.00 0.00 175.26 175.09 2k4a s PHE 104 N -3.89 -0.10 0.17 4.83 -0.12 0.16 -2.71 117.98 116.31 2k4a s PHE 104 Ca 0.10 0.20 -0.14 0.00 -0.05 0.00 0.00 56.93 57.05 2k4a s PHE 104 Cb -0.04 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2k4a s PHE 104 CO 0.02 -0.23 0.39 -1.59 -0.05 0.00 0.00 175.22 173.77 2k4a s LYS 105 N -0.76 1.21 -0.19 1.99 -2.85 -1.26 0.83 119.74 118.70 2k4a s LYS 105 Ca -0.09 -0.96 -0.15 0.00 -1.00 0.00 0.00 55.97 53.77 2k4a s LYS 105 Cb -0.05 0.45 0.06 0.00 -2.06 0.00 0.00 37.83 36.23 2k4a s LYS 105 CO 0.01 -0.48 0.50 0.54 0.10 0.00 0.00 175.35 176.03 2k4a s VAL 106 N -3.90 -0.01 -0.14 1.79 0.11 -1.18 -5.05 120.40 112.03 2k4a s VAL 106 Ca 0.11 0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.87 2k4a s VAL 106 Cb 0.01 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 2k4a s VAL 106 CO -0.04 0.01 2.07 -0.81 -3.33 0.00 0.00 175.10 173.00 2k4a n PRO 107 N 3.35 2.11 0.04 1.54 -0.04 -1.26 -3.93 135.00 136.82 2k4a n PRO 107 Ca -0.17 0.69 -0.11 0.00 -0.04 0.00 0.00 63.50 63.88 2k4a n PRO 107 Cb 0.56 -2.92 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 2k4a n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4a h MET 108 N 12.11 -0.37 -0.71 0.54 2.86 -1.79 -0.51 114.93 127.07 2k4a h MET 108 Ca -0.43 0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.44 2k4a h MET 108 Cb 1.26 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 2k4a h MET 108 CO 0.96 -0.25 0.56 -0.97 1.06 0.00 0.00 176.91 178.27 2k4a h ASN 109 N -0.39 0.00 0.95 1.22 -1.24 -1.70 0.29 115.58 114.72 2k4a h ASN 109 Ca 0.07 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.87 2k4a h ASN 109 Cb 0.49 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 2k4a h ASN 109 CO -0.26 0.00 -1.08 0.74 -1.29 0.00 0.00 177.43 175.55 2k4a h THR 110 N 0.00 1.61 -1.17 -3.57 2.02 -1.47 -3.42 112.91 106.91 2k4a h THR 110 Ca 0.34 -3.34 -0.51 0.00 0.77 0.00 0.00 66.41 63.67 2k4a h THR 110 Cb 1.44 2.80 -0.08 0.00 -1.74 0.00 0.00 68.15 70.57 2k4a h THR 110 CO -0.00 0.92 1.26 -0.69 0.37 0.00 0.00 175.52 177.37 2k4a s VAL 111 N -2.70 3.76 0.19 3.16 1.01 0.10 -4.96 120.40 120.97 2k4a s VAL 111 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 61.98 61.16 2k4a s VAL 111 Cb 0.10 -4.74 -0.11 0.00 0.00 0.00 0.00 36.38 31.63 2k4a s VAL 111 CO 0.82 -1.64 1.70 1.51 0.00 0.00 0.00 175.10 177.49 2k4a s ASP 112 N 5.74 6.43 -0.87 3.32 1.47 -1.26 -4.89 116.67 126.61 2k4a s ASP 112 Ca 0.52 2.81 -0.04 0.00 1.18 0.00 0.00 52.55 57.02 2k4a s ASP 112 Cb -0.03 -2.60 0.17 0.00 -0.34 0.00 0.00 42.92 40.12 2k4a s ASP 112 CO -0.04 -0.95 2.38 2.22 0.68 0.00 0.00 175.17 179.47 2k4a n PHE 113 N 4.13 2.32 0.08 2.11 1.16 -1.26 -4.67 117.46 121.33 2k4a n PHE 113 Ca 0.16 -2.36 -0.13 0.00 -1.87 0.00 0.00 57.45 53.25 2k4a n PHE 113 Cb 0.36 -1.45 -0.08 0.00 -1.61 0.00 0.00 39.48 36.70 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k4a h GLY 114 N 4.29 -0.20 0.00 4.97 0.00 -1.99 -3.47 103.07 106.66 2k4a h GLY 114 Ca 0.54 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2k4a h GLY 114 CO 1.20 -0.07 0.00 1.42 0.00 0.00 0.00 176.54 179.09 2k4a n HIS 115 N -5.04 -1.51 -3.75 5.60 8.25 -1.26 -5.07 115.22 112.45 2k4a n HIS 115 Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 2k4a n HIS 115 Cb 0.21 0.50 -0.15 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.00 -0.05 -0.69 1.59 -7.23 -1.26 -3.42 120.40 108.34 2k4a s VAL 116 Ca 0.00 0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 60.19 2k4a s VAL 116 Cb 0.00 -0.23 0.14 0.00 0.56 0.00 0.00 36.38 36.86 2k4a s VAL 116 CO 0.00 0.08 0.74 -0.89 -0.31 0.00 0.00 175.10 174.71 2k4a s THR 117 N 1.19 5.10 -0.12 5.32 2.01 0.54 -4.92 115.64 124.75 2k4a s THR 117 Ca -0.09 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2k4a s THR 117 Cb -0.12 -4.49 -0.02 0.00 0.01 0.00 0.00 72.50 67.88 2k4a s THR 117 CO -0.06 -1.10 -0.13 -1.61 -0.69 0.00 0.00 174.62 171.03 2k4a s GLU 118 N 1.78 3.32 -0.10 4.92 2.02 -1.26 0.10 118.70 129.48 2k4a s GLU 118 Ca 0.14 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 54.13 2k4a s GLU 118 Cb -0.19 -2.60 0.12 0.00 0.10 0.00 0.00 34.13 31.56 2k4a s GLU 118 CO -0.01 0.24 1.03 -1.83 0.02 0.00 0.00 175.26 174.71 2k4a s GLU 119 N 0.27 0.59 -1.22 1.61 -1.05 -0.91 -5.02 118.70 112.98 2k4a s GLU 119 Ca -0.10 -0.17 -0.12 0.00 -0.15 0.00 0.00 54.97 54.43 2k4a s GLU 119 Cb -0.16 0.27 0.18 0.00 -0.44 0.00 0.00 34.13 33.98 2k4a s GLU 119 CO 0.05 -0.25 1.54 0.91 0.95 0.00 0.00 175.26 178.46 2k4a n TRP 120 N -0.06 4.41 -1.71 4.83 5.03 -1.26 -2.36 117.44 126.33 2k4a n TRP 120 Ca -0.05 -3.22 -0.42 0.00 3.03 0.00 0.00 57.50 56.83 2k4a n TRP 120 Cb 0.60 -2.09 -0.01 0.00 -1.03 0.00 0.00 31.31 28.78 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 4.97 2.24 -2.85 -0.99 3.00 -1.12 -4.78 116.66 117.14 2k4a n ARG 121 Ca 0.37 0.79 -0.32 0.00 -0.00 0.00 0.00 57.85 58.69 2k4a n ARG 121 Cb 0.41 -2.41 -0.05 0.00 0.00 0.00 0.00 32.46 30.41 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 -0.19 6.67 -0.14 6.15 -4.77 -1.26 0.95 116.67 124.08 2k4a s ASP 122 Ca 0.56 1.33 0.01 0.00 -3.30 0.00 0.00 52.55 51.16 2k4a s ASP 122 Cb -0.56 -2.40 -0.00 0.00 -1.09 0.00 0.00 42.92 38.87 2k4a s ASP 122 CO 0.61 -0.37 -0.17 -0.76 0.70 0.00 0.00 175.17 175.17 2k4a s LEU 123 N -3.54 2.40 0.01 2.11 1.43 0.13 -4.66 118.68 116.57 2k4a s LEU 123 Ca 0.55 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2k4a s LEU 123 Cb -0.10 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2k4a s LEU 123 CO 0.25 0.11 -0.23 0.00 0.23 0.00 0.00 176.35 176.71 2k4a s GLN 124 N 0.64 2.04 0.66 1.70 -2.07 -1.10 -0.17 119.66 121.36 2k4a s GLN 124 Ca -0.09 -0.98 -0.16 0.00 -1.82 0.00 0.00 55.36 52.31 2k4a s GLN 124 Cb -0.16 -2.10 0.00 0.00 -1.09 0.00 0.00 33.01 29.66 2k4a s GLN 124 CO 0.02 0.55 1.16 -1.12 -1.32 0.00 0.00 175.29 174.58 2k4a s SER 125 N -1.05 4.88 -0.27 12.60 0.01 -1.26 0.53 113.70 129.13 2k4a s SER 125 Ca 0.12 2.21 -0.01 0.00 1.31 0.00 0.00 55.95 59.58 2k4a s SER 125 Cb -0.10 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.64 2k4a s SER 125 CO 0.02 -1.79 0.07 0.00 0.41 0.00 0.00 173.24 171.95 2k4a s ALA 126 N -2.02 1.38 -0.57 1.44 0.00 -1.23 -4.65 121.76 116.11 2k4a s ALA 126 Ca 0.72 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 2k4a s ALA 126 Cb -0.26 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2k4a s ALA 126 CO 0.40 -1.51 2.02 -1.21 0.00 0.00 0.00 175.76 175.45 2k4a s GLU 127 N 1.69 2.49 0.00 0.00 2.02 -1.26 -4.71 118.70 118.92 2k4a s GLU 127 Ca 0.06 0.85 0.04 0.00 0.02 0.00 0.00 54.97 55.94 2k4a s GLU 127 Cb -0.17 -4.44 0.03 0.00 0.10 0.00 0.00 34.13 29.65 2k4a s GLU 127 CO -0.20 -2.88 0.63 1.63 0.02 0.00 0.00 175.26 174.46