#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 0.71 0.14 3.49 0.00 -1.26 -4.54 119.74 118.27 2k4a s LYS 2 Ca 0.00 -0.21 0.19 0.00 0.00 0.00 0.00 55.97 55.95 2k4a s LYS 2 Cb 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 37.83 37.86 2k4a s LYS 2 CO 0.00 -1.03 0.96 1.25 0.00 0.00 0.00 175.35 176.53 2k4a h LEU 3 N 6.75 0.00 0.00 2.77 5.85 0.22 -3.43 115.31 127.48 2k4a h LEU 3 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k4a h LEU 3 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k4a h LEU 3 CO 0.07 0.30 0.00 0.61 -0.34 0.00 0.00 178.44 179.08 2k4a n GLY 4 N 1.29 0.19 2.96 3.75 0.00 -0.45 -3.41 105.19 109.52 2k4a n GLY 4 Ca -0.05 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.63 0.37 -0.05 1.61 1.02 -0.11 0.93 119.74 122.88 2k4a s LYS 5 Ca 0.00 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 55.74 2k4a s LYS 5 Cb 0.00 -0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.01 2k4a s LYS 5 CO 0.00 0.08 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.24 2k4a s LEU 6 N -0.39 1.60 -0.07 3.17 0.20 0.33 0.12 118.68 123.64 2k4a s LEU 6 Ca -0.01 -0.24 -0.14 0.00 0.69 0.00 0.00 54.13 54.43 2k4a s LEU 6 Cb -0.03 -0.70 -0.05 0.00 -0.43 0.00 0.00 46.19 44.97 2k4a s LEU 6 CO -0.00 0.02 0.35 -1.10 -0.29 0.00 0.00 176.35 175.33 2k4a s GLN 7 N 0.63 3.98 -0.06 1.98 -1.52 0.19 0.77 119.66 125.63 2k4a s GLN 7 Ca -0.12 0.27 -0.20 0.00 -1.95 0.00 0.00 55.36 53.36 2k4a s GLN 7 Cb -0.14 -3.29 0.04 0.00 -0.22 0.00 0.00 33.01 29.40 2k4a s GLN 7 CO 0.02 0.53 0.45 1.52 -0.25 0.00 0.00 175.29 177.57 2k4a s TYR 8 N -0.49 -0.39 -0.24 0.91 1.13 -1.01 0.13 117.35 117.39 2k4a s TYR 8 Ca 0.21 0.73 0.02 0.00 -1.41 0.00 0.00 57.07 56.62 2k4a s TYR 8 Cb -0.15 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2k4a s TYR 8 CO 0.09 -0.43 -0.11 -1.12 -2.51 0.00 0.00 175.55 171.48 2k4a s SER 9 N -0.96 4.04 -0.18 -0.18 0.01 0.20 -2.16 113.70 114.47 2k4a s SER 9 Ca -0.10 -1.20 -0.05 0.00 1.31 0.00 0.00 55.95 55.91 2k4a s SER 9 Cb -0.03 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 2k4a s SER 9 CO 0.05 -0.17 -0.01 -0.76 0.41 0.00 0.00 173.24 172.76 2k4a s LEU 10 N 1.21 3.27 0.00 2.44 1.43 0.15 -0.24 118.68 126.94 2k4a s LEU 10 Ca -0.06 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2k4a s LEU 10 Cb -0.18 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2k4a s LEU 10 CO -0.07 0.10 0.00 -0.90 0.23 0.00 0.00 176.35 175.72 2k4a n ASP 11 N 3.97 1.08 -3.69 2.29 5.68 0.21 0.22 116.55 126.31 2k4a n ASP 11 Ca -0.17 -0.88 -0.10 0.00 -0.50 0.00 0.00 54.79 53.14 2k4a n ASP 11 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 2k4a n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2k4a s TYR 12 N -1.28 -0.24 -0.09 2.11 1.13 -1.26 0.14 117.35 117.87 2k4a s TYR 12 Ca 0.00 -0.10 0.01 0.00 -1.41 0.00 0.00 57.07 55.58 2k4a s TYR 12 Cb 0.00 0.52 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 2k4a s TYR 12 CO 0.00 -0.98 -0.12 0.34 -2.51 0.00 0.00 175.55 172.28 2k4a s ASP 13 N -2.85 2.00 0.00 -0.18 -1.08 0.16 -4.85 116.67 109.86 2k4a s ASP 13 Ca 0.08 -0.32 0.24 0.00 -0.52 0.00 0.00 52.55 52.03 2k4a s ASP 13 Cb -0.02 -0.88 0.35 0.00 -1.46 0.00 0.00 42.92 40.91 2k4a s ASP 13 CO -0.03 -0.01 1.32 2.22 0.52 0.00 0.00 175.17 179.19 2k4a n PHE 14 N 4.16 0.00 0.04 -5.34 1.16 -1.26 -1.39 117.46 114.84 2k4a n PHE 14 Ca -0.20 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.18 2k4a n PHE 14 Cb 0.51 -0.04 -0.15 0.00 -1.61 0.00 0.00 39.48 38.19 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 2.22 0.29 -0.02 3.97 3.07 -1.95 -3.34 115.11 119.35 2k4a h GLN 15 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2k4a h GLN 15 Cb 0.67 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.42 2k4a h GLN 15 CO 0.00 1.24 -0.33 0.27 0.09 0.00 0.00 178.83 180.10 2k4a n ASN 16 N -4.09 2.05 -2.73 0.06 0.23 -1.26 -5.03 115.26 104.48 2k4a n ASN 16 Ca -0.16 -1.52 -0.06 0.00 -0.53 0.00 0.00 54.58 52.30 2k4a n ASN 16 Cb 0.84 0.38 0.01 0.00 -2.08 0.00 0.00 39.78 38.93 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 0.19 -7.33 -3.56 0.53 2.85 -1.05 -4.92 115.26 101.97 2k4a n ASN 17 Ca 0.09 0.43 -0.09 0.00 -0.11 0.00 0.00 54.58 54.91 2k4a n ASN 17 Cb 0.44 -4.94 -0.04 0.00 1.24 0.00 0.00 39.78 36.48 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 -2.49 0.60 0.10 1.20 1.03 -0.48 -3.44 119.66 116.17 2k4a s GLN 18 Ca 0.20 -0.04 0.01 0.00 0.04 0.00 0.00 55.36 55.57 2k4a s GLN 18 Cb -0.06 0.28 -0.04 0.00 0.03 0.00 0.00 33.01 33.23 2k4a s GLN 18 CO 0.69 -0.23 0.23 -0.51 -2.54 0.00 0.00 175.29 172.93 2k4a s LEU 19 N -1.71 4.29 -0.27 2.60 1.43 0.41 0.37 118.68 125.81 2k4a s LEU 19 Ca 0.03 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2k4a s LEU 19 Cb -0.01 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.36 2k4a s LEU 19 CO -0.03 0.12 -0.03 -0.22 0.23 0.00 0.00 176.35 176.42 2k4a s LEU 20 N -2.83 3.53 -0.44 1.79 1.98 0.37 0.11 118.68 123.19 2k4a s LEU 20 Ca 0.34 -1.04 -0.14 0.00 -2.89 0.00 0.00 54.13 50.41 2k4a s LEU 20 Cb -0.12 -1.70 0.06 0.00 0.66 0.00 0.00 46.19 45.10 2k4a s LEU 20 CO 0.28 -0.19 0.33 -0.69 -1.89 0.00 0.00 176.35 174.19 2k4a s VAL 21 N 1.30 4.95 -0.73 1.68 1.01 0.11 0.65 120.40 129.37 2k4a s VAL 21 Ca -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 2k4a s VAL 21 Cb -0.18 -3.92 0.19 0.00 0.00 0.00 0.00 36.38 32.47 2k4a s VAL 21 CO -0.03 -0.48 0.59 -0.83 0.00 0.00 0.00 175.10 174.35 2k4a s GLY 22 N 2.24 2.67 0.05 4.51 0.00 0.67 0.83 107.32 118.29 2k4a s GLY 22 Ca 0.04 -3.42 -0.28 0.00 0.00 0.00 0.00 44.72 41.06 2k4a s GLY 22 CO 0.06 1.16 0.89 -0.26 0.00 0.00 0.00 173.10 174.95 2k4a s ILE 23 N -0.32 4.71 -0.04 0.90 -0.00 -1.13 0.62 121.20 125.93 2k4a s ILE 23 Ca 0.20 1.89 -0.03 0.00 -0.00 0.00 0.00 60.65 62.70 2k4a s ILE 23 Cb -0.16 -4.24 -0.02 0.00 -0.00 0.00 0.00 42.46 38.04 2k4a s ILE 23 CO -0.06 0.28 0.21 0.40 -0.00 0.00 0.00 174.94 175.77 2k4a h ILE 24 N 4.32 0.00 -2.11 8.37 2.04 0.78 -2.63 117.51 128.28 2k4a h ILE 24 Ca -0.42 -0.48 0.19 0.00 1.00 0.00 0.00 64.86 65.15 2k4a h ILE 24 Cb 1.21 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.18 2k4a h ILE 24 CO 0.73 0.00 0.57 0.00 0.00 0.00 0.00 178.15 179.44 2k4a s GLN 25 N -1.86 0.90 -0.03 2.37 1.03 -1.18 -1.32 119.66 119.58 2k4a s GLN 25 Ca -0.02 -0.46 0.07 0.00 0.04 0.00 0.00 55.36 54.99 2k4a s GLN 25 Cb 0.00 0.34 -0.02 0.00 0.03 0.00 0.00 33.01 33.36 2k4a s GLN 25 CO 0.05 -0.41 -0.23 0.00 -2.54 0.00 0.00 175.29 172.16 2k4a s ALA 26 N -3.04 2.27 0.01 2.60 0.00 -1.23 -0.64 121.76 121.73 2k4a s ALA 26 Ca 0.11 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.06 2k4a s ALA 26 Cb -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2k4a s ALA 26 CO -0.02 0.52 -0.21 0.00 0.00 0.00 0.00 175.76 176.04 2k4a s ALA 27 N -0.57 1.77 -0.41 0.00 0.00 0.32 -3.59 121.76 119.28 2k4a s ALA 27 Ca 0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2k4a s ALA 27 Cb -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2k4a s ALA 27 CO -0.00 0.42 0.35 0.39 0.00 0.00 0.00 175.76 176.93 2k4a n GLU 28 N 2.28 -2.37 -2.61 0.00 1.02 -0.63 -0.93 120.64 117.40 2k4a n GLU 28 Ca -0.16 0.27 -0.40 0.00 -0.02 0.00 0.00 57.16 56.84 2k4a n GLU 28 Cb 0.53 -3.58 -0.05 0.00 -0.02 0.00 0.00 31.44 28.32 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 -3.16 4.58 0.78 -4.62 1.43 -0.56 -3.92 118.68 113.20 2k4a s LEU 29 Ca 0.11 2.08 -0.15 0.00 -1.03 0.00 0.00 54.13 55.14 2k4a s LEU 29 Cb -0.05 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2k4a s LEU 29 CO 0.23 -0.03 0.88 -2.65 0.23 0.00 0.00 176.35 175.01 2k4a n PRO 30 N 1.63 0.27 -3.31 1.29 -0.02 -1.26 -4.74 135.00 128.86 2k4a n PRO 30 Ca -0.01 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 2k4a n PRO 30 Cb 0.46 -2.16 -0.08 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 -2.00 3.56 -0.06 3.55 0.00 -1.26 -4.51 121.76 121.04 2k4a s ALA 31 Ca 0.70 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2k4a s ALA 31 Cb -0.31 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2k4a s ALA 31 CO 0.54 -0.80 -0.01 -0.11 0.00 0.00 0.00 175.76 175.38 2k4a n LEU 32 N 5.48 1.30 -4.79 0.00 -0.00 -0.45 -4.85 117.00 113.69 2k4a n LEU 32 Ca -0.06 -0.01 -0.34 0.00 -0.00 0.00 0.00 56.01 55.59 2k4a n LEU 32 Cb 0.50 -0.03 -0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2k4a n LEU 32 CO 0.40 0.33 0.74 -0.62 -0.00 0.00 0.00 177.39 178.24 2k4a s ASP 33 N -4.05 5.85 -0.75 1.96 -1.08 0.39 -4.88 116.67 114.11 2k4a s ASP 33 Ca -0.05 1.98 -0.21 0.00 -0.52 0.00 0.00 52.55 53.74 2k4a s ASP 33 Cb 0.02 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.76 2k4a s ASP 33 CO 0.18 -1.12 1.92 0.80 0.52 0.00 0.00 175.17 177.47 2k4a n MET 34 N -1.55 1.48 0.00 4.34 0.00 -1.26 -3.54 117.12 116.59 2k4a n MET 34 Ca 0.10 -1.78 0.00 0.00 -0.00 0.00 0.00 57.70 56.02 2k4a n MET 34 Cb 0.52 -2.87 0.00 0.00 0.00 0.00 0.00 33.22 30.87 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 4.49 0.00 3.82 -5.12 0.00 -1.26 -4.96 105.19 102.16 2k4a n GLY 35 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.45 2.26 -0.02 0.00 -1.23 -4.85 105.19 100.90 2k4a n GLY 36 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.74 0.00 -3.85 2.61 -2.24 -1.25 -4.86 114.28 100.96 2k4a n THR 37 Ca 0.06 -0.87 -0.09 0.00 -2.27 0.00 0.00 64.05 60.88 2k4a n THR 37 Cb 0.49 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.34 -0.04 -0.72 3.42 0.01 -1.26 0.15 113.70 112.92 2k4a s SER 38 Ca 0.14 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.45 2k4a s SER 38 Cb -0.02 0.79 0.33 0.00 0.21 0.00 0.00 66.02 67.33 2k4a s SER 38 CO 0.10 -1.53 1.18 0.47 0.41 0.00 0.00 173.24 173.87 2k4a n ASP 39 N -1.05 5.26 -4.68 2.44 9.92 -1.26 0.49 116.55 127.67 2k4a n ASP 39 Ca -0.06 -3.67 -0.42 0.00 -0.53 0.00 0.00 54.79 50.11 2k4a n ASP 39 Cb 0.60 -0.75 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 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 -3.62 4.33 -0.03 -0.24 0.04 -1.26 -0.45 135.00 133.77 2k4a s PRO 40 Ca 0.45 1.68 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2k4a s PRO 40 Cb 0.24 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2k4a s PRO 40 CO -0.12 -0.50 -0.12 1.52 0.04 0.00 0.00 177.00 177.81 2k4a s TYR 41 N 2.47 1.26 0.02 0.56 -0.85 0.30 -4.09 117.35 117.02 2k4a s TYR 41 Ca 0.56 -0.35 -0.26 0.00 -0.52 0.00 0.00 57.07 56.50 2k4a s TYR 41 Cb -0.24 -0.88 -0.05 0.00 0.38 0.00 0.00 41.96 41.17 2k4a s TYR 41 CO 0.21 -0.13 0.81 0.14 -1.52 0.00 0.00 175.55 175.06 2k4a s VAL 42 N 0.16 4.81 -0.13 -3.49 -7.23 -1.26 0.11 120.40 113.38 2k4a s VAL 42 Ca -0.04 1.72 0.02 0.00 -1.81 0.00 0.00 61.98 61.87 2k4a s VAL 42 Cb -0.10 -4.16 0.01 0.00 0.56 0.00 0.00 36.38 32.69 2k4a s VAL 42 CO 0.01 0.29 -0.19 -1.59 -0.31 0.00 0.00 175.10 173.31 2k4a s LYS 43 N 0.38 2.69 0.12 4.82 -2.85 0.35 -1.59 119.74 123.66 2k4a s LYS 43 Ca 0.42 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 54.36 2k4a s LYS 43 Cb -0.20 -2.24 -0.06 0.00 -2.06 0.00 0.00 37.83 33.27 2k4a s LYS 43 CO 0.24 -0.07 0.96 0.14 0.10 0.00 0.00 175.35 176.72 2k4a s VAL 44 N 0.97 4.46 0.10 1.79 -7.23 -0.80 -1.35 120.40 118.34 2k4a s VAL 44 Ca -0.05 2.06 0.03 0.00 -1.81 0.00 0.00 61.98 62.22 2k4a s VAL 44 Cb -0.15 -4.32 -0.04 0.00 0.56 0.00 0.00 36.38 32.44 2k4a s VAL 44 CO -0.04 0.33 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.63 2k4a s PHE 45 N -0.07 1.03 0.18 2.82 0.08 0.30 -4.05 117.98 118.27 2k4a s PHE 45 Ca 0.47 -0.73 0.04 0.00 0.12 0.00 0.00 56.93 56.83 2k4a s PHE 45 Cb -0.24 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.60 2k4a s PHE 45 CO 0.30 -0.03 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.81 2k4a s LEU 46 N -2.67 2.41 0.00 -0.37 2.01 -1.26 0.81 118.68 119.62 2k4a s LEU 46 Ca 0.08 -1.09 -0.08 0.00 0.01 0.00 0.00 54.13 53.05 2k4a s LEU 46 Cb -0.00 -0.36 0.12 0.00 0.01 0.00 0.00 46.19 45.97 2k4a s LEU 46 CO -0.01 -0.38 0.31 0.00 1.01 0.00 0.00 176.35 177.28 2k4a n LEU 47 N -0.30 0.00 -0.09 1.79 -0.00 0.56 -4.24 117.00 114.72 2k4a n LEU 47 Ca -0.08 -0.32 0.08 0.00 -0.00 0.00 0.00 56.01 55.69 2k4a n LEU 47 Cb 0.62 -0.34 0.14 0.00 -0.00 0.00 0.00 43.42 43.84 2k4a n LEU 47 CO 0.34 -1.84 0.28 -2.65 -0.00 0.00 0.00 177.39 173.52 2k4a n PRO 48 N -3.15 -0.02 -0.32 1.47 -0.02 -1.26 0.17 135.00 131.87 2k4a n PRO 48 Ca 0.05 0.39 -0.03 0.00 -2.02 0.00 0.00 63.50 61.89 2k4a n PRO 48 Cb 0.20 -0.68 0.02 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.39 -4.14 2.55 3.58 -1.93 -3.44 116.42 111.64 2k4a h ASP 49 Ca 0.22 0.29 -0.17 0.00 0.42 0.00 0.00 57.03 57.78 2k4a h ASP 49 Cb 0.56 0.71 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2k4a h ASP 49 CO -0.22 -0.29 -0.22 0.29 -2.88 0.00 0.00 179.24 175.91 2k4a n LYS 50 N -5.45 -2.44 -2.13 0.28 4.76 0.13 -4.85 118.16 108.46 2k4a n LYS 50 Ca 0.08 0.43 -0.39 0.00 -2.87 0.00 0.00 58.31 55.56 2k4a n LYS 50 Cb 0.38 -4.99 -0.00 0.00 -1.84 0.00 0.00 35.03 28.58 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 -2.71 4.50 0.00 1.97 5.02 -1.26 -4.79 118.16 120.89 2k4a n LYS 51 Ca -0.10 -3.71 0.00 0.00 -2.02 0.00 0.00 58.31 52.48 2k4a n LYS 51 Cb 0.58 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 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 0.94 0.00 -3.44 1.97 2.85 -1.26 -4.33 118.16 114.88 2k4a n LYS 52 Ca 0.56 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.54 2k4a n LYS 52 Cb 0.28 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.55 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 0.58 -0.13 -1.58 2.20 -1.26 -4.54 119.74 115.00 2k4a s LYS 53 Ca 0.00 -1.33 -0.02 0.00 -0.36 0.00 0.00 55.97 54.26 2k4a s LYS 53 Cb 0.00 -1.23 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 2k4a s LYS 53 CO 0.00 -1.22 -0.08 0.12 -0.36 0.00 0.00 175.35 173.81 2k4a s PHE 54 N 1.04 2.92 -0.25 4.03 5.36 -1.26 -5.01 117.98 124.81 2k4a s PHE 54 Ca 0.19 -0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 55.72 2k4a s PHE 54 Cb -0.20 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 2k4a s PHE 54 CO -0.01 -0.07 -0.01 -2.00 -1.46 0.00 0.00 175.22 171.67 2k4a s GLU 55 N 0.22 3.14 0.70 10.12 2.12 -1.26 -1.90 118.70 131.84 2k4a s GLU 55 Ca -0.05 -0.79 -0.13 0.00 0.36 0.00 0.00 54.97 54.35 2k4a s GLU 55 Cb -0.15 -3.11 0.02 0.00 0.26 0.00 0.00 34.13 31.16 2k4a s GLU 55 CO 0.04 -0.32 1.10 0.95 -0.54 0.00 0.00 175.26 176.48 2k4a s THR 56 N 1.44 3.31 0.22 -1.70 -4.23 -0.62 -4.94 115.64 109.12 2k4a s THR 56 Ca 0.03 0.54 -0.32 0.00 -1.18 0.00 0.00 61.69 60.76 2k4a s THR 56 Cb -0.16 -3.05 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 2k4a s THR 56 CO -0.02 -0.45 1.70 1.17 -0.54 0.00 0.00 174.62 176.48 2k4a n LYS 57 N -2.80 2.74 -1.07 3.99 4.81 -1.26 -4.69 118.16 119.86 2k4a n LYS 57 Ca 0.10 0.98 -0.33 0.00 -0.87 0.00 0.00 58.31 58.19 2k4a n LYS 57 Cb 0.52 -2.82 0.13 0.00 0.02 0.00 0.00 35.03 32.89 2k4a n LYS 57 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2k4a n VAL 58 N 3.66 1.86 -3.95 3.15 3.14 -1.26 -4.81 118.33 120.11 2k4a n VAL 58 Ca 0.15 -0.20 -0.31 0.00 -2.96 0.00 0.00 64.34 61.02 2k4a n VAL 58 Cb 0.35 -1.16 -0.15 0.00 -1.06 0.00 0.00 33.84 31.81 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 -2.16 2.87 -0.19 1.45 0.09 -1.26 -5.02 115.29 111.08 2k4a s HIS 59 Ca 0.72 -2.26 -0.28 0.00 -0.00 0.00 0.00 55.06 53.24 2k4a s HIS 59 Cb -0.29 -2.11 -0.06 0.00 -0.00 0.00 0.00 32.58 30.13 2k4a s HIS 59 CO 0.52 -0.87 2.19 2.89 -0.00 0.00 0.00 174.74 179.47 2k4a n ARG 60 N 4.52 2.08 -3.13 1.40 -4.01 -1.26 -3.96 116.66 112.30 2k4a n ARG 60 Ca -0.05 0.60 -0.11 0.00 -1.04 0.00 0.00 57.85 57.25 2k4a n ARG 60 Cb 0.43 -3.20 0.01 0.00 -3.04 0.00 0.00 32.46 26.66 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 8.59 -1.68 -3.64 2.89 4.76 -1.05 -4.98 118.16 123.05 2k4a n LYS 61 Ca 0.29 1.56 -0.09 0.00 -2.87 0.00 0.00 58.31 57.20 2k4a n LYS 61 Cb 0.44 -2.84 -0.07 0.00 -1.84 0.00 0.00 35.03 30.72 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 -1.48 0.00 -0.46 -0.18 -1.32 0.18 -4.83 115.64 107.55 2k4a s THR 62 Ca 0.13 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.66 2k4a s THR 62 Cb -0.02 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.09 2k4a s THR 62 CO 0.50 0.00 1.03 0.18 -2.21 0.00 0.00 174.62 174.12 2k4a n LEU 63 N 2.48 2.24 -2.80 9.08 4.77 -1.26 -4.29 117.00 127.22 2k4a n LEU 63 Ca -0.13 -1.82 -0.10 0.00 -0.03 0.00 0.00 56.01 53.93 2k4a n LEU 63 Cb 0.56 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2k4a n LEU 63 CO 0.02 0.55 0.22 -3.20 -1.33 0.00 0.00 177.39 173.65 2k4a n ASN 64 N 0.03 -1.13 -4.76 -1.43 5.15 -1.25 -1.50 115.26 110.35 2k4a n ASN 64 Ca 0.05 -3.10 -0.39 0.00 -0.60 0.00 0.00 54.58 50.54 2k4a n ASN 64 Cb 0.29 0.88 -0.06 0.00 -0.53 0.00 0.00 39.78 40.37 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 -0.70 4.36 0.02 1.20 0.04 -1.24 -4.92 135.00 133.76 2k4a s PRO 65 Ca 0.26 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 2k4a s PRO 65 Cb 0.35 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2k4a s PRO 65 CO -0.06 0.37 0.19 0.14 0.04 0.00 0.00 177.00 177.69 2k4a s VAL 66 N -0.25 5.37 0.00 -0.36 -7.23 -1.26 -3.50 120.40 113.17 2k4a s VAL 66 Ca 0.33 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2k4a s VAL 66 Cb -0.19 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2k4a s VAL 66 CO 0.19 0.24 0.00 0.33 -0.31 0.00 0.00 175.10 175.55 2k4a n PHE 67 N 0.66 -0.55 -2.65 2.82 -0.00 -0.66 -5.02 117.46 112.06 2k4a n PHE 67 Ca -0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.21 2k4a n PHE 67 Cb 0.52 0.16 0.02 0.00 -0.00 0.00 0.00 39.48 40.17 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 -1.82 -4.73 -4.73 -2.13 5.15 -0.43 -4.95 115.26 101.62 2k4a n ASN 68 Ca 0.00 -0.15 -0.38 0.00 -0.60 0.00 0.00 54.58 53.45 2k4a n ASN 68 Cb 0.00 -3.67 0.06 0.00 -0.53 0.00 0.00 39.78 35.64 2k4a n ASN 68 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2k4a n GLU 69 N -2.90 1.32 -3.69 1.20 4.07 -1.07 -4.74 120.64 114.83 2k4a n GLU 69 Ca -0.11 0.50 -0.39 0.00 -0.06 0.00 0.00 57.16 57.11 2k4a n GLU 69 Cb 0.60 -2.53 -0.12 0.00 -0.06 0.00 0.00 31.44 29.33 2k4a n GLU 69 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2k4a s GLN 70 N -3.14 2.86 -0.26 5.31 -0.44 -1.26 -2.82 119.66 119.91 2k4a s GLN 70 Ca 0.78 -1.03 -0.14 0.00 -2.50 0.00 0.00 55.36 52.47 2k4a s GLN 70 Cb -0.40 -3.55 -0.04 0.00 -1.64 0.00 0.00 33.01 27.38 2k4a s GLN 70 CO 0.44 -0.61 0.31 0.12 0.50 0.00 0.00 175.29 176.06 2k4a s PHE 71 N 1.50 3.27 -0.50 1.67 5.36 0.24 -4.94 117.98 124.58 2k4a s PHE 71 Ca 0.01 0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 56.11 2k4a s PHE 71 Cb -0.19 -2.49 0.04 0.00 -0.34 0.00 0.00 43.02 40.04 2k4a s PHE 71 CO 0.04 -0.15 0.83 0.99 -1.46 0.00 0.00 175.22 175.48 2k4a s THR 72 N 1.78 4.57 -1.09 0.12 2.01 -1.26 0.07 115.64 121.83 2k4a s THR 72 Ca 0.13 0.26 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 2k4a s THR 72 Cb -0.15 -4.41 0.10 0.00 0.01 0.00 0.00 72.50 68.05 2k4a s THR 72 CO 0.09 -0.89 1.43 0.12 -0.69 0.00 0.00 174.62 174.68 2k4a s PHE 73 N 3.48 2.93 -0.55 4.92 2.19 0.29 -4.94 117.98 126.30 2k4a s PHE 73 Ca 0.28 -1.41 -0.27 0.00 0.33 0.00 0.00 56.93 55.86 2k4a s PHE 73 Cb -0.13 -4.53 -0.02 0.00 -1.31 0.00 0.00 43.02 37.03 2k4a s PHE 73 CO 0.20 -1.69 1.88 0.15 1.83 0.00 0.00 175.22 177.59 2k4a s LYS 74 N 3.55 2.74 0.00 10.12 -0.14 -1.26 -0.44 119.74 134.31 2k4a s LYS 74 Ca 0.44 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.87 2k4a s LYS 74 Cb -0.01 -4.36 0.00 0.00 -1.68 0.00 0.00 37.83 31.78 2k4a s LYS 74 CO -0.04 -2.58 0.00 0.28 -0.76 0.00 0.00 175.35 172.25 2k4a n VAL 75 N 7.30 0.00 -1.70 3.17 0.31 -1.22 -4.77 118.33 121.41 2k4a n VAL 75 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.12 2k4a n VAL 75 Cb 0.51 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.43 2k4a n VAL 75 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k4a n PRO 76 N -0.05 2.14 -0.35 5.55 -0.02 -1.23 -3.45 135.00 137.58 2k4a n PRO 76 Ca 0.00 0.75 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 2k4a n PRO 76 Cb 0.00 -2.34 0.35 0.00 -0.02 0.00 0.00 33.50 31.49 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 2.65 1.02 -0.38 6.00 -0.00 -1.90 0.26 116.97 124.63 2k4a h TYR 77 Ca -0.46 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.33 2k4a h TYR 77 Cb 1.28 -0.30 -0.03 0.00 0.00 0.00 0.00 36.73 37.68 2k4a h TYR 77 CO 0.51 0.18 0.19 0.77 -0.00 0.00 0.00 178.16 179.82 2k4a h SER 78 N 0.69 0.29 0.08 0.10 0.02 -2.00 -2.04 113.55 110.69 2k4a h SER 78 Ca 0.59 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.50 2k4a h SER 78 Cb 1.02 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2k4a h SER 78 CO -0.39 0.21 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.00 2k4a h GLU 79 N 0.40 0.20 -1.29 3.45 5.08 -0.91 -2.82 114.58 118.69 2k4a h GLU 79 Ca 0.16 -0.05 0.38 0.00 -1.00 0.00 0.00 59.36 58.85 2k4a h GLU 79 Cb 0.06 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.19 2k4a h GLU 79 CO -0.11 0.39 0.87 1.25 -1.00 0.00 0.00 179.01 180.41 2k4a h LEU 80 N 0.19 0.20 -0.69 1.33 6.46 -0.31 -1.52 115.31 120.97 2k4a h LEU 80 Ca 0.04 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 2k4a h LEU 80 Cb 0.44 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.30 2k4a h LEU 80 CO 0.03 -0.03 -0.50 1.23 -0.62 0.00 0.00 178.44 178.55 2k4a h GLY 81 N 0.14 -0.63 -4.00 3.75 0.00 -1.59 0.17 103.07 100.91 2k4a h GLY 81 Ca 0.70 0.66 -0.59 0.00 0.00 0.00 0.00 47.33 48.10 2k4a h GLY 81 CO -0.22 -0.10 0.76 0.61 0.00 0.00 0.00 176.54 177.59 2k4a n GLY 82 N -1.37 5.14 3.05 4.60 0.00 -0.58 -1.96 105.19 114.07 2k4a n GLY 82 Ca 0.01 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 2k4a n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4a s LYS 83 N -3.55 2.35 -0.32 1.61 2.47 0.59 -4.97 119.74 117.93 2k4a s LYS 83 Ca 0.61 -2.51 -0.29 0.00 -1.56 0.00 0.00 55.97 52.22 2k4a s LYS 83 Cb 0.49 -3.60 0.01 0.00 -1.46 0.00 0.00 37.83 33.28 2k4a s LYS 83 CO 0.05 -1.15 1.12 0.99 0.16 0.00 0.00 175.35 176.53 2k4a s THR 84 N -0.05 4.43 0.05 3.43 2.01 -1.26 -2.67 115.64 121.57 2k4a s THR 84 Ca 0.16 1.64 -0.00 0.00 0.31 0.00 0.00 61.69 63.81 2k4a s THR 84 Cb -0.22 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2k4a s THR 84 CO -0.03 -0.48 0.19 -1.48 -0.69 0.00 0.00 174.62 172.13 2k4a s LEU 85 N 3.79 4.29 -0.01 4.42 2.34 -1.13 -0.32 118.68 132.06 2k4a s LEU 85 Ca 0.48 0.25 -0.00 0.00 0.06 0.00 0.00 54.13 54.92 2k4a s LEU 85 Cb -0.13 -2.82 0.01 0.00 -0.56 0.00 0.00 46.19 42.69 2k4a s LEU 85 CO 0.17 0.19 0.01 0.68 -1.06 0.00 0.00 176.35 176.35 2k4a s VAL 86 N -1.45 -0.01 -0.21 1.48 -7.23 0.24 -1.57 120.40 111.65 2k4a s VAL 86 Ca 0.32 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.54 2k4a s VAL 86 Cb -0.13 -0.04 0.03 0.00 0.56 0.00 0.00 36.38 36.80 2k4a s VAL 86 CO 0.25 0.02 -0.15 -0.32 -0.31 0.00 0.00 175.10 174.59 2k4a s MET 87 N 0.20 2.88 -0.09 4.82 0.00 0.34 0.11 119.30 127.55 2k4a s MET 87 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 55.69 54.78 2k4a s MET 87 Cb -0.02 -2.72 -0.01 0.00 0.00 0.00 0.00 34.83 32.07 2k4a s MET 87 CO -0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 175.02 174.55 2k4a s ALA 88 N 1.28 2.48 -0.37 4.11 0.00 -0.46 0.64 121.76 129.44 2k4a s ALA 88 Ca 0.02 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2k4a s ALA 88 Cb -0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 2k4a s ALA 88 CO -0.10 0.36 0.39 0.54 0.00 0.00 0.00 175.76 176.95 2k4a s VAL 89 N 0.01 5.14 -0.13 0.00 0.11 0.58 0.13 120.40 126.25 2k4a s VAL 89 Ca -0.06 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2k4a s VAL 89 Cb -0.15 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 2k4a s VAL 89 CO 0.05 -0.20 0.12 -0.47 -3.33 0.00 0.00 175.10 171.26 2k4a s TYR 90 N 2.06 3.50 0.57 1.54 5.04 0.31 -3.02 117.35 127.35 2k4a s TYR 90 Ca 0.12 0.44 -0.08 0.00 -2.44 0.00 0.00 57.07 55.11 2k4a s TYR 90 Cb -0.17 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.16 2k4a s TYR 90 CO 0.12 0.61 0.92 0.34 -1.34 0.00 0.00 175.55 176.21 2k4a s ASP 91 N -0.75 6.05 -0.34 4.32 2.15 -0.61 0.11 116.67 127.60 2k4a s ASP 91 Ca 0.13 1.07 0.16 0.00 0.43 0.00 0.00 52.55 54.34 2k4a s ASP 91 Cb -0.12 -2.19 0.42 0.00 -0.30 0.00 0.00 42.92 40.73 2k4a s ASP 91 CO 0.03 -0.84 0.87 0.33 -0.17 0.00 0.00 175.17 175.38 2k4a n PHE 92 N -2.56 0.79 -0.15 -5.34 7.35 0.41 -4.50 117.46 113.46 2k4a n PHE 92 Ca 0.04 -3.19 0.28 0.00 -0.76 0.00 0.00 57.45 53.82 2k4a n PHE 92 Cb 0.55 -0.39 0.69 0.00 0.35 0.00 0.00 39.48 40.68 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 -1.33 -2.13 2.03 -1.90 -3.42 116.42 112.67 2k4a h ASP 93 Ca -0.02 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.09 2k4a h ASP 93 Cb 1.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.58 2k4a h ASP 93 CO 0.50 0.00 -0.24 0.54 -1.03 0.00 0.00 179.24 179.01 2k4a n ARG 94 N -3.84 -0.76 0.10 4.15 3.00 -1.26 -4.83 116.66 113.22 2k4a n ARG 94 Ca 0.18 0.49 0.00 0.00 -0.01 0.00 0.00 57.85 58.51 2k4a n ARG 94 Cb 1.06 -4.52 0.00 0.00 0.00 0.00 0.00 32.46 29.00 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 -3.94 -2.27 -2.28 -1.55 7.35 -1.26 -5.15 117.46 108.37 2k4a n PHE 95 Ca -0.11 0.49 -0.06 0.00 -0.76 0.00 0.00 57.45 57.01 2k4a n PHE 95 Cb 0.57 1.26 0.03 0.00 0.35 0.00 0.00 39.48 41.69 2k4a n PHE 95 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k4a n SER 96 N -3.03 0.32 -4.57 -2.13 7.64 -1.26 -4.95 113.62 105.64 2k4a n SER 96 Ca 0.00 -1.28 -0.32 0.00 1.01 0.00 0.00 58.87 58.28 2k4a n SER 96 Cb 0.00 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4a s LYS 97 N -3.10 2.94 0.21 1.43 -0.14 -1.26 -4.89 119.74 114.93 2k4a s LYS 97 Ca 0.17 -1.01 -0.30 0.00 -1.36 0.00 0.00 55.97 53.47 2k4a s LYS 97 Cb -0.01 -5.25 -0.16 0.00 -1.68 0.00 0.00 37.83 30.73 2k4a s LYS 97 CO 0.11 -3.21 0.84 0.72 -0.76 0.00 0.00 175.35 173.05 2k4a n HIS 98 N 12.35 0.49 -4.44 3.18 8.25 -1.26 -4.97 115.22 128.83 2k4a n HIS 98 Ca 0.42 0.84 -0.25 0.00 -0.26 0.00 0.00 57.72 58.47 2k4a n HIS 98 Cb 0.47 -2.12 -0.09 0.00 1.12 0.00 0.00 29.99 29.37 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 -0.60 3.90 -1.23 0.41 2.15 -1.26 -4.89 116.67 115.16 2k4a s ASP 99 Ca 0.66 -1.03 -0.14 0.00 0.43 0.00 0.00 52.55 52.47 2k4a s ASP 99 Cb -0.87 -0.44 0.16 0.00 -0.30 0.00 0.00 42.92 41.47 2k4a s ASP 99 CO 0.57 -0.12 1.49 -0.38 -0.17 0.00 0.00 175.17 176.56 2k4a n ILE 100 N -0.80 4.23 -0.53 4.11 5.41 -1.26 -1.57 119.36 128.95 2k4a n ILE 100 Ca -0.05 -4.65 0.42 0.00 1.00 0.00 0.00 62.75 59.47 2k4a n ILE 100 Cb 0.62 -2.45 0.68 0.00 -0.71 0.00 0.00 39.64 37.77 2k4a n ILE 100 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2k4a n ILE 101 N 4.68 -0.12 -3.91 1.39 -0.00 -1.17 -4.34 119.36 115.90 2k4a n ILE 101 Ca 0.38 1.50 0.03 0.00 -0.00 0.00 0.00 62.75 64.67 2k4a n ILE 101 Cb 0.43 -2.48 0.01 0.00 -0.00 0.00 0.00 39.64 37.59 2k4a n ILE 101 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2k4a s GLY 102 N -3.97 -0.23 0.31 3.28 0.00 -1.24 -4.18 107.32 101.30 2k4a s GLY 102 Ca -0.06 0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.74 2k4a s GLY 102 CO 0.78 4.74 0.86 -1.83 0.00 0.00 0.00 173.10 177.65 2k4a s GLU 103 N -2.06 1.91 -0.18 2.90 -1.05 0.34 -0.31 118.70 120.25 2k4a s GLU 103 Ca 0.27 -1.22 -0.18 0.00 -0.15 0.00 0.00 54.97 53.69 2k4a s GLU 103 Cb 0.01 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.30 2k4a s GLU 103 CO -0.02 -0.89 0.51 -0.59 0.95 0.00 0.00 175.26 175.21 2k4a s PHE 104 N -2.39 -0.55 0.05 4.83 -0.12 0.21 -1.75 117.98 118.26 2k4a s PHE 104 Ca 0.17 1.32 -0.08 0.00 -0.05 0.00 0.00 56.93 58.29 2k4a s PHE 104 Cb -0.04 0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.54 2k4a s PHE 104 CO 0.09 -0.29 0.15 -1.59 -0.05 0.00 0.00 175.22 173.53 2k4a s LYS 105 N 0.14 0.68 -0.22 1.99 -2.85 -1.26 0.13 119.74 118.34 2k4a s LYS 105 Ca -0.01 -0.75 -0.14 0.00 -1.00 0.00 0.00 55.97 54.07 2k4a s LYS 105 Cb -0.04 0.27 0.07 0.00 -2.06 0.00 0.00 37.83 36.07 2k4a s LYS 105 CO 0.01 -0.19 0.55 0.54 0.10 0.00 0.00 175.35 176.37 2k4a s VAL 106 N -2.83 -0.01 -0.37 1.79 0.11 -0.61 -5.00 120.40 113.48 2k4a s VAL 106 Ca -0.03 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2k4a s VAL 106 Cb 0.00 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2k4a s VAL 106 CO -0.05 0.02 1.70 -2.16 -3.33 0.00 0.00 175.10 171.27 2k4a s PRO 107 N 1.30 3.37 0.55 1.54 0.04 -1.26 -2.83 135.00 137.71 2k4a s PRO 107 Ca -0.08 1.25 0.38 0.00 0.04 0.00 0.00 61.00 62.59 2k4a s PRO 107 Cb -0.06 -4.16 1.54 0.00 0.04 0.00 0.00 34.50 31.86 2k4a s PRO 107 CO -0.13 -1.82 1.75 0.52 0.04 0.00 0.00 177.00 177.35 2k4a h MET 108 N 12.38 0.00 -0.72 4.56 2.86 -1.70 -0.27 114.93 132.04 2k4a h MET 108 Ca -0.32 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.45 2k4a h MET 108 Cb 1.15 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.68 2k4a h MET 108 CO 1.06 0.00 -0.31 -0.97 1.06 0.00 0.00 176.91 177.75 2k4a h ASN 109 N 0.00 -1.10 1.95 1.22 -0.73 -1.37 0.32 115.58 115.87 2k4a h ASN 109 Ca 0.59 0.25 -0.00 0.00 1.87 0.00 0.00 56.30 59.01 2k4a h ASN 109 Cb 2.47 0.59 -0.00 0.00 0.27 0.00 0.00 38.32 41.64 2k4a h ASN 109 CO -0.01 -0.29 -0.02 0.74 -0.37 0.00 0.00 177.43 177.48 2k4a h THR 110 N -0.09 0.04 -1.96 -3.57 2.02 -1.33 -3.42 112.91 104.59 2k4a h THR 110 Ca 0.29 -1.04 -0.56 0.00 0.77 0.00 0.00 66.41 65.87 2k4a h THR 110 Cb 0.57 2.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.89 2k4a h THR 110 CO -0.77 0.02 1.20 -0.69 0.37 0.00 0.00 175.52 175.64 2k4a s VAL 111 N -3.21 3.79 0.81 3.16 1.01 0.11 -4.99 120.40 121.08 2k4a s VAL 111 Ca 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2k4a s VAL 111 Cb 0.05 -4.96 0.08 0.00 0.00 0.00 0.00 36.38 31.55 2k4a s VAL 111 CO 0.67 -1.88 1.15 1.51 0.00 0.00 0.00 175.10 176.55 2k4a s ASP 112 N 4.14 3.78 -0.30 3.32 -4.77 -1.26 -4.85 116.67 116.72 2k4a s ASP 112 Ca 0.38 2.16 0.16 0.00 -3.30 0.00 0.00 52.55 51.96 2k4a s ASP 112 Cb -0.05 -2.56 0.48 0.00 -1.09 0.00 0.00 42.92 39.69 2k4a s ASP 112 CO 0.07 -2.53 1.08 2.22 0.70 0.00 0.00 175.17 176.71 2k4a n PHE 113 N -3.49 1.79 -0.07 2.11 -1.74 -1.26 -4.78 117.46 110.02 2k4a n PHE 113 Ca 0.12 -2.46 -0.01 0.00 -0.56 0.00 0.00 57.45 54.54 2k4a n PHE 113 Cb 0.52 -0.27 0.26 0.00 1.52 0.00 0.00 39.48 41.50 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 2.63 0.74 0.00 4.97 0.00 -2.00 -3.45 103.07 105.96 2k4a h GLY 114 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2k4a h GLY 114 CO 0.46 0.38 0.00 1.42 0.00 0.00 0.00 176.54 178.81 2k4a n HIS 115 N -4.30 -0.70 -3.72 5.60 8.25 -1.26 -5.16 115.22 113.92 2k4a n HIS 115 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 2k4a n HIS 115 Cb 0.21 0.26 -0.09 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.53 0.03 -0.52 1.59 -7.23 -1.26 -4.40 120.40 108.08 2k4a s VAL 116 Ca 0.00 -0.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.87 2k4a s VAL 116 Cb 0.00 -0.65 0.14 0.00 0.56 0.00 0.00 36.38 36.43 2k4a s VAL 116 CO 0.00 -0.15 0.33 -0.89 -0.31 0.00 0.00 175.10 174.08 2k4a s THR 117 N -0.82 3.51 -0.11 5.32 2.01 0.58 -4.96 115.64 121.17 2k4a s THR 117 Ca -0.09 -2.51 -0.01 0.00 0.31 0.00 0.00 61.69 59.38 2k4a s THR 117 Cb -0.04 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2k4a s THR 117 CO 0.04 -0.79 -0.05 -1.61 -0.69 0.00 0.00 174.62 171.52 2k4a s GLU 118 N 0.53 3.20 -0.02 4.92 2.02 -1.26 0.34 118.70 128.43 2k4a s GLU 118 Ca 0.13 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 2k4a s GLU 118 Cb -0.22 -2.76 0.10 0.00 0.10 0.00 0.00 34.13 31.36 2k4a s GLU 118 CO -0.04 0.47 1.29 -1.83 0.02 0.00 0.00 175.26 175.18 2k4a s GLU 119 N -0.27 0.36 -0.27 1.61 -1.05 -0.92 -5.02 118.70 113.14 2k4a s GLU 119 Ca 0.04 -0.23 -0.08 0.00 -0.15 0.00 0.00 54.97 54.55 2k4a s GLU 119 Cb -0.13 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 2k4a s GLU 119 CO 0.02 -0.17 0.11 -1.58 0.95 0.00 0.00 175.26 174.60 2k4a s TRP 120 N -2.04 3.13 -0.18 4.83 0.23 -1.26 -2.41 118.94 121.24 2k4a s TRP 120 Ca 0.29 -0.36 -0.09 0.00 -2.03 0.00 0.00 56.10 53.90 2k4a s TRP 120 Cb -0.00 -2.29 -0.05 0.00 0.03 0.00 0.00 33.47 31.16 2k4a s TRP 120 CO -0.01 -0.35 0.13 0.50 0.96 0.00 0.00 176.95 178.18 2k4a s ARG 121 N 1.64 3.98 0.23 4.98 6.06 0.23 -4.94 118.95 131.13 2k4a s ARG 121 Ca 0.06 -0.20 -0.30 0.00 -2.50 0.00 0.00 55.73 52.80 2k4a s ARG 121 Cb -0.16 -3.35 -0.09 0.00 0.06 0.00 0.00 34.95 31.41 2k4a s ARG 121 CO 0.05 0.43 1.05 0.16 -2.50 0.00 0.00 175.30 174.50 2k4a s ASP 122 N -0.02 7.38 -0.26 -2.12 -4.77 -1.26 0.12 116.67 115.74 2k4a s ASP 122 Ca 0.10 2.10 -0.10 0.00 -3.30 0.00 0.00 52.55 51.35 2k4a s ASP 122 Cb -0.11 -2.61 -0.05 0.00 -1.09 0.00 0.00 42.92 39.06 2k4a s ASP 122 CO -0.00 -0.08 0.16 -0.76 0.70 0.00 0.00 175.17 175.18 2k4a s LEU 123 N -0.96 3.96 0.01 2.11 1.43 0.26 -4.76 118.68 120.73 2k4a s LEU 123 Ca 0.45 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 2k4a s LEU 123 Cb -0.29 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2k4a s LEU 123 CO 0.36 -0.01 -0.07 0.00 0.23 0.00 0.00 176.35 176.86 2k4a s GLN 124 N 1.52 2.53 -0.49 1.70 -2.07 -0.72 0.85 119.66 122.98 2k4a s GLN 124 Ca 0.07 -0.74 -0.27 0.00 -1.82 0.00 0.00 55.36 52.60 2k4a s GLN 124 Cb -0.15 -2.48 0.03 0.00 -1.09 0.00 0.00 33.01 29.31 2k4a s GLN 124 CO 0.08 0.60 1.06 -1.12 -1.32 0.00 0.00 175.29 174.58 2k4a s SER 125 N -1.42 6.55 -0.53 12.60 0.01 -1.26 0.13 113.70 129.78 2k4a s SER 125 Ca 0.17 0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.57 2k4a s SER 125 Cb -0.11 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 63.74 2k4a s SER 125 CO 0.07 -1.20 0.45 0.00 0.41 0.00 0.00 173.24 172.97 2k4a s ALA 126 N 4.22 3.57 -0.08 1.44 0.00 -1.26 -4.70 121.76 124.95 2k4a s ALA 126 Ca 0.43 -2.63 -0.32 0.00 0.00 0.00 0.00 51.96 49.44 2k4a s ALA 126 Cb -0.08 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 2k4a s ALA 126 CO 0.29 -1.99 2.00 0.39 0.00 0.00 0.00 175.76 176.45 2k4a n GLU 127 N 4.93 2.33 0.00 0.00 1.02 -1.26 -4.78 120.64 122.88 2k4a n GLU 127 Ca -0.08 0.81 0.04 0.00 -0.02 0.00 0.00 57.16 57.91 2k4a n GLU 127 Cb 0.41 -2.88 0.03 0.00 -0.02 0.00 0.00 31.44 28.98 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94