#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 2.24 -0.00 3.49 0.00 -1.26 -3.20 119.74 121.01 2k4a s LYS 2 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 55.97 55.14 2k4a s LYS 2 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 37.83 35.81 2k4a s LYS 2 CO 0.00 0.42 0.08 -0.11 0.00 0.00 0.00 175.35 175.73 2k4a n LEU 3 N 2.80 0.05 0.00 2.77 7.94 0.26 -3.87 117.00 126.96 2k4a n LEU 3 Ca -0.17 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 2k4a n LEU 3 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2k4a n LEU 3 CO 0.25 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 2k4a n GLY 4 N 1.71 0.13 3.26 -3.96 0.00 -0.65 -3.69 105.19 102.00 2k4a n GLY 4 Ca -0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 2k4a n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4a s LYS 5 N -0.01 0.54 -0.05 1.61 2.20 -0.21 -0.82 119.74 123.00 2k4a s LYS 5 Ca 0.00 0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2k4a s LYS 5 Cb 0.00 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 2k4a s LYS 5 CO 0.00 -0.11 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.62 2k4a s LEU 6 N -0.39 1.61 -0.14 5.43 0.20 0.26 0.14 118.68 125.80 2k4a s LEU 6 Ca -0.05 -0.22 -0.12 0.00 0.69 0.00 0.00 54.13 54.43 2k4a s LEU 6 Cb -0.03 -0.64 -0.05 0.00 -0.43 0.00 0.00 46.19 45.03 2k4a s LEU 6 CO 0.02 0.02 0.24 -1.10 -0.29 0.00 0.00 176.35 175.24 2k4a s GLN 7 N 0.57 4.03 0.01 1.98 -1.52 -0.50 0.68 119.66 124.91 2k4a s GLN 7 Ca -0.10 0.02 -0.11 0.00 -1.95 0.00 0.00 55.36 53.21 2k4a s GLN 7 Cb -0.13 -3.35 0.01 0.00 -0.22 0.00 0.00 33.01 29.32 2k4a s GLN 7 CO 0.02 0.42 0.23 1.52 -0.25 0.00 0.00 175.29 177.23 2k4a s TYR 8 N -0.06 -0.06 -0.23 0.91 -0.85 -1.11 0.20 117.35 116.15 2k4a s TYR 8 Ca 0.15 0.01 -0.00 0.00 -0.52 0.00 0.00 57.07 56.71 2k4a s TYR 8 Cb -0.13 0.03 0.07 0.00 0.38 0.00 0.00 41.96 42.30 2k4a s TYR 8 CO 0.04 -0.37 -0.01 -1.54 -1.52 0.00 0.00 175.55 172.14 2k4a s SER 9 N -1.54 3.66 -0.23 -0.18 1.04 0.18 -2.40 113.70 114.22 2k4a s SER 9 Ca -0.12 -1.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.09 2k4a s SER 9 Cb -0.05 -1.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.03 2k4a s SER 9 CO 0.01 -0.28 0.03 -0.76 0.98 0.00 0.00 173.24 173.23 2k4a s LEU 10 N 1.52 3.28 0.02 2.42 1.43 0.18 0.20 118.68 127.74 2k4a s LEU 10 Ca -0.03 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2k4a s LEU 10 Cb -0.18 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2k4a s LEU 10 CO -0.08 -0.01 -0.10 1.51 0.23 0.00 0.00 176.35 177.89 2k4a s ASP 11 N 1.48 4.40 0.09 2.29 1.47 0.27 0.21 116.67 126.89 2k4a s ASP 11 Ca 0.06 -0.23 -0.01 0.00 1.18 0.00 0.00 52.55 53.54 2k4a s ASP 11 Cb -0.15 -0.94 -0.04 0.00 -0.34 0.00 0.00 42.92 41.45 2k4a s ASP 11 CO 0.02 0.27 0.26 -0.72 0.68 0.00 0.00 175.17 175.68 2k4a s TYR 12 N -1.00 3.50 0.45 2.11 1.13 -1.25 0.17 117.35 122.46 2k4a s TYR 12 Ca 0.17 0.31 0.07 0.00 -1.41 0.00 0.00 57.07 56.22 2k4a s TYR 12 Cb -0.11 -1.81 -0.01 0.00 -1.10 0.00 0.00 41.96 38.93 2k4a s TYR 12 CO 0.08 0.54 0.38 0.34 -2.51 0.00 0.00 175.55 174.37 2k4a s ASP 13 N -2.58 4.91 0.00 -0.18 -1.08 -0.04 -4.90 116.67 112.80 2k4a s ASP 13 Ca 0.37 -0.88 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 2k4a s ASP 13 Cb -0.13 -0.34 0.00 0.00 -1.46 0.00 0.00 42.92 40.99 2k4a s ASP 13 CO 0.27 -0.76 0.00 2.22 0.52 0.00 0.00 175.17 177.43 2k4a n PHE 14 N -1.59 0.00 0.09 -5.34 -1.74 -1.26 -4.42 117.46 103.21 2k4a n PHE 14 Ca 0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.77 2k4a n PHE 14 Cb 0.62 0.01 -0.14 0.00 1.52 0.00 0.00 39.48 41.49 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 0.24 0.00 3.97 -0.00 -1.98 -3.32 115.11 114.03 2k4a h GLN 15 Ca 0.00 -0.42 -0.04 0.00 -0.00 0.00 0.00 58.65 58.20 2k4a h GLN 15 Cb 0.13 0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 2k4a h GLN 15 CO 0.00 1.18 -1.66 0.27 -0.00 0.00 0.00 178.83 178.62 2k4a n ASN 16 N -3.50 0.34 -2.43 0.06 0.23 -1.26 -5.05 115.26 103.65 2k4a n ASN 16 Ca -0.09 0.13 -0.05 0.00 -0.53 0.00 0.00 54.58 54.05 2k4a n ASN 16 Cb 1.02 1.30 0.01 0.00 -2.08 0.00 0.00 39.78 40.02 2k4a n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k4a n ASN 17 N -2.47 -6.06 -3.57 0.53 3.02 -1.25 -4.91 115.26 100.55 2k4a n ASN 17 Ca -0.05 0.33 -0.07 0.00 -0.03 0.00 0.00 54.58 54.76 2k4a n ASN 17 Cb 0.62 -4.00 -0.03 0.00 -0.61 0.00 0.00 39.78 35.76 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 -2.18 0.51 -0.19 3.52 1.03 -1.18 -2.55 119.66 118.63 2k4a s GLN 18 Ca 0.15 -0.05 -0.10 0.00 0.04 0.00 0.00 55.36 55.41 2k4a s GLN 18 Cb -0.04 0.24 -0.05 0.00 0.03 0.00 0.00 33.01 33.18 2k4a s GLN 18 CO 0.52 -0.19 0.16 -0.51 -2.54 0.00 0.00 175.29 172.73 2k4a s LEU 19 N -1.71 4.23 -0.80 2.60 1.43 0.53 -0.86 118.68 124.11 2k4a s LEU 19 Ca 0.04 0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.26 2k4a s LEU 19 Cb -0.01 -2.13 0.14 0.00 0.03 0.00 0.00 46.19 44.22 2k4a s LEU 19 CO -0.04 0.19 0.91 -0.22 0.23 0.00 0.00 176.35 177.42 2k4a s LEU 20 N 0.24 5.53 -1.02 1.79 1.98 0.46 -0.11 118.68 127.56 2k4a s LEU 20 Ca 0.10 -1.98 -0.22 0.00 -2.89 0.00 0.00 54.13 49.14 2k4a s LEU 20 Cb -0.11 -2.33 0.06 0.00 0.66 0.00 0.00 46.19 44.47 2k4a s LEU 20 CO -0.01 -0.98 1.42 -0.69 -1.89 0.00 0.00 176.35 174.20 2k4a s VAL 21 N 2.14 4.06 -1.14 1.68 1.01 -0.67 -0.57 120.40 126.90 2k4a s VAL 21 Ca 0.23 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2k4a s VAL 21 Cb -0.12 -5.03 0.20 0.00 0.00 0.00 0.00 36.38 31.43 2k4a s VAL 21 CO -0.04 -1.88 1.30 -0.83 0.00 0.00 0.00 175.10 173.65 2k4a s GLY 22 N 4.73 2.57 0.39 4.51 0.00 0.13 -2.14 107.32 117.51 2k4a s GLY 22 Ca 0.44 -3.42 -0.25 0.00 0.00 0.00 0.00 44.72 41.50 2k4a s GLY 22 CO -0.09 1.84 1.09 -0.26 0.00 0.00 0.00 173.10 175.68 2k4a s ILE 23 N 0.94 3.51 -0.07 0.90 -0.00 -1.23 0.52 121.20 125.76 2k4a s ILE 23 Ca 0.38 1.22 -0.03 0.00 -0.00 0.00 0.00 60.65 62.22 2k4a s ILE 23 Cb -0.05 -3.66 -0.01 0.00 -0.00 0.00 0.00 42.46 38.74 2k4a s ILE 23 CO -0.03 0.07 -0.05 0.40 -0.00 0.00 0.00 174.94 175.32 2k4a h ILE 24 N 2.31 0.00 -2.19 8.37 2.04 0.19 -3.17 117.51 125.06 2k4a h ILE 24 Ca -0.48 -0.59 0.17 0.00 1.00 0.00 0.00 64.86 64.96 2k4a h ILE 24 Cb 1.22 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 2k4a h ILE 24 CO 0.63 0.00 0.54 0.00 0.00 0.00 0.00 178.15 179.32 2k4a s GLN 25 N -1.53 0.92 -0.11 2.37 1.03 -1.15 -0.89 119.66 120.30 2k4a s GLN 25 Ca -0.04 -0.44 -0.00 0.00 0.04 0.00 0.00 55.36 54.91 2k4a s GLN 25 Cb 0.01 0.36 -0.02 0.00 0.03 0.00 0.00 33.01 33.38 2k4a s GLN 25 CO 0.06 -0.41 -0.10 0.00 -2.54 0.00 0.00 175.29 172.30 2k4a s ALA 26 N -3.09 2.76 -0.03 2.60 0.00 -1.20 -1.40 121.76 121.39 2k4a s ALA 26 Ca 0.09 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2k4a s ALA 26 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2k4a s ALA 26 CO -0.03 0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.90 2k4a s ALA 27 N 0.01 2.58 -0.77 0.00 0.00 0.38 -3.52 121.76 120.44 2k4a s ALA 27 Ca -0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2k4a s ALA 27 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2k4a s ALA 27 CO 0.04 0.56 0.66 0.39 0.00 0.00 0.00 175.76 177.40 2k4a n GLU 28 N 2.22 -4.44 -2.27 0.00 1.02 -0.96 -1.05 120.64 115.17 2k4a n GLU 28 Ca -0.17 0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 2k4a n GLU 28 Cb 0.52 -4.49 -0.03 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 -4.66 4.37 0.58 -4.62 1.43 0.24 -4.10 118.68 111.92 2k4a s LEU 29 Ca 0.23 2.21 -0.18 0.00 -1.03 0.00 0.00 54.13 55.36 2k4a s LEU 29 Cb -0.10 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2k4a s LEU 29 CO 0.43 -0.58 0.74 -2.65 0.23 0.00 0.00 176.35 174.52 2k4a n PRO 30 N 3.91 0.70 -2.54 1.29 -0.02 -1.26 -4.67 135.00 132.41 2k4a n PRO 30 Ca 0.10 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 2k4a n PRO 30 Cb 0.44 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.61 2.99 0.09 3.55 0.00 -1.26 -4.59 121.76 120.93 2k4a s ALA 31 Ca 0.72 0.35 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2k4a s ALA 31 Cb -0.44 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2k4a s ALA 31 CO 0.51 -0.17 0.00 -0.11 0.00 0.00 0.00 175.76 175.99 2k4a n LEU 32 N -1.18 -0.46 -4.74 0.00 -0.00 0.25 -4.91 117.00 105.96 2k4a n LEU 32 Ca 0.07 0.16 -0.37 0.00 -0.00 0.00 0.00 56.01 55.87 2k4a n LEU 32 Cb 0.54 0.62 0.05 0.00 -0.00 0.00 0.00 43.42 44.63 2k4a n LEU 32 CO 0.42 -0.46 0.92 -0.62 -0.00 0.00 0.00 177.39 177.66 2k4a s ASP 33 N -3.71 4.98 -0.78 1.96 -1.08 0.35 -4.81 116.67 113.57 2k4a s ASP 33 Ca 0.00 2.64 -0.25 0.00 -0.52 0.00 0.00 52.55 54.42 2k4a s ASP 33 Cb 0.00 -2.62 -0.20 0.00 -1.46 0.00 0.00 42.92 38.64 2k4a s ASP 33 CO 0.00 -1.75 1.89 0.80 0.52 0.00 0.00 175.17 176.62 2k4a n MET 34 N -1.49 0.96 0.00 4.34 0.00 -1.26 -3.49 117.12 116.18 2k4a n MET 34 Ca 0.13 -1.82 0.00 0.00 -0.00 0.00 0.00 57.70 56.01 2k4a n MET 34 Cb 0.47 -3.24 0.00 0.00 0.00 0.00 0.00 33.22 30.45 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 5.27 0.00 3.67 -5.12 0.00 -1.26 -4.96 105.19 102.79 2k4a n GLY 35 Ca 0.46 0.00 -0.27 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 -0.46 0.76 -0.02 0.00 -1.23 -4.85 105.19 99.39 2k4a n GLY 36 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.78 0.00 -3.83 2.61 -2.24 -1.24 -4.85 114.28 100.96 2k4a n THR 37 Ca 0.04 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 2k4a n THR 37 Cb 0.50 0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.45 -0.02 -0.67 3.42 0.01 -1.26 0.13 113.70 113.86 2k4a s SER 38 Ca 0.04 -0.98 0.04 0.00 1.31 0.00 0.00 55.95 56.36 2k4a s SER 38 Cb -0.01 0.76 0.31 0.00 0.21 0.00 0.00 66.02 67.29 2k4a s SER 38 CO 0.03 -1.49 1.04 0.47 0.41 0.00 0.00 173.24 173.70 2k4a n ASP 39 N -1.27 4.77 -4.67 2.44 9.92 -1.26 -1.39 116.55 125.10 2k4a n ASP 39 Ca -0.07 -3.62 -0.43 0.00 -0.53 0.00 0.00 54.79 50.15 2k4a n ASP 39 Cb 0.60 -0.70 -0.02 0.00 -0.64 0.00 0.00 41.12 40.36 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 -3.31 4.28 -0.03 -0.24 0.04 -1.22 -1.23 135.00 133.29 2k4a s PRO 40 Ca 0.45 1.70 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2k4a s PRO 40 Cb 0.23 -3.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 2k4a s PRO 40 CO -0.09 -0.60 -0.14 1.52 0.04 0.00 0.00 177.00 177.73 2k4a s TYR 41 N 2.96 1.32 -0.05 0.56 -0.85 0.33 -3.69 117.35 117.92 2k4a s TYR 41 Ca 0.56 -0.32 -0.25 0.00 -0.52 0.00 0.00 57.07 56.54 2k4a s TYR 41 Cb -0.24 -0.89 -0.03 0.00 0.38 0.00 0.00 41.96 41.18 2k4a s TYR 41 CO 0.19 -0.09 0.78 0.14 -1.52 0.00 0.00 175.55 175.05 2k4a s VAL 42 N -0.05 4.99 -0.30 -3.49 -7.23 -1.26 0.12 120.40 113.18 2k4a s VAL 42 Ca -0.00 1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 61.76 2k4a s VAL 42 Cb -0.08 -4.12 0.04 0.00 0.56 0.00 0.00 36.38 32.77 2k4a s VAL 42 CO 0.01 0.21 0.01 -1.59 -0.31 0.00 0.00 175.10 173.43 2k4a s LYS 43 N 0.94 2.57 0.13 4.82 -2.85 0.40 -2.66 119.74 123.09 2k4a s LYS 43 Ca 0.42 -1.18 -0.31 0.00 -1.00 0.00 0.00 55.97 53.90 2k4a s LYS 43 Cb -0.19 -3.22 -0.08 0.00 -2.06 0.00 0.00 37.83 32.29 2k4a s LYS 43 CO 0.20 -0.58 1.29 0.14 0.10 0.00 0.00 175.35 176.50 2k4a s VAL 44 N 1.31 3.51 0.30 1.79 -7.23 -0.96 -2.75 120.40 116.37 2k4a s VAL 44 Ca -0.03 1.14 0.03 0.00 -1.81 0.00 0.00 61.98 61.30 2k4a s VAL 44 Cb -0.19 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2k4a s VAL 44 CO -0.01 0.12 0.30 -0.36 -0.31 0.00 0.00 175.10 174.85 2k4a s PHE 45 N 0.69 1.43 0.21 2.82 0.08 -0.51 -3.68 117.98 119.02 2k4a s PHE 45 Ca 0.60 -1.49 -0.10 0.00 0.12 0.00 0.00 56.93 56.05 2k4a s PHE 45 Cb -0.34 -0.50 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 2k4a s PHE 45 CO 0.33 -0.89 0.37 -0.51 -0.10 0.00 0.00 175.22 174.42 2k4a s LEU 46 N -3.29 0.61 0.00 -0.37 2.01 -1.26 -2.59 118.68 113.79 2k4a s LEU 46 Ca 0.37 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.58 2k4a s LEU 46 Cb 0.03 1.43 0.00 0.00 0.01 0.00 0.00 46.19 47.66 2k4a s LEU 46 CO 0.22 -1.02 0.00 0.00 1.01 0.00 0.00 176.35 176.56 2k4a n LEU 47 N -0.31 0.00 -0.33 1.79 -0.00 -0.92 -4.29 117.00 112.94 2k4a n LEU 47 Ca -0.04 0.00 0.28 0.00 -0.00 0.00 0.00 56.01 56.26 2k4a n LEU 47 Cb 0.63 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 44.53 2k4a n LEU 47 CO 0.24 -1.42 0.86 -2.65 -0.00 0.00 0.00 177.39 174.42 2k4a n PRO 48 N -1.88 -0.03 -0.39 1.47 -0.01 -1.26 -0.08 135.00 132.83 2k4a n PRO 48 Ca 0.00 0.88 -0.03 0.00 -0.01 0.00 0.00 63.50 64.34 2k4a n PRO 48 Cb 0.00 -1.74 0.01 0.00 -0.01 0.00 0.00 33.50 31.76 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 2k4a n ASP 49 N -4.08 -0.73 -1.55 2.55 2.03 -1.26 -4.76 116.55 108.74 2k4a n ASP 49 Ca 0.28 1.73 -0.10 0.00 0.52 0.00 0.00 54.79 57.22 2k4a n ASP 49 Cb 1.11 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 41.12 2k4a n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k4a n LYS 50 N -5.40 -1.47 -1.40 -0.67 4.76 0.89 -4.82 118.16 110.04 2k4a n LYS 50 Ca 0.08 0.59 -0.28 0.00 -2.87 0.00 0.00 58.31 55.83 2k4a n LYS 50 Cb 0.36 -4.87 -0.08 0.00 -1.84 0.00 0.00 35.03 28.61 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 -1.92 3.03 0.00 1.97 5.02 -1.26 -4.76 118.16 120.24 2k4a n LYS 51 Ca -0.11 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 2k4a n LYS 51 Cb 0.40 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 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 2.17 0.00 -3.41 1.97 2.85 -1.26 -3.93 118.16 116.55 2k4a n LYS 52 Ca 0.57 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.84 2k4a n LYS 52 Cb 0.53 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.88 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 -0.98 0.47 -0.08 -1.58 2.20 -1.26 -4.59 119.74 113.92 2k4a s LYS 53 Ca 0.00 1.05 -0.06 0.00 -0.36 0.00 0.00 55.97 56.60 2k4a s LYS 53 Cb 0.00 0.62 0.03 0.00 -1.51 0.00 0.00 37.83 36.97 2k4a s LYS 53 CO 0.00 -0.28 0.21 0.12 -0.36 0.00 0.00 175.35 175.04 2k4a s PHE 54 N 2.78 -0.25 -0.22 4.03 5.36 -1.24 -5.02 117.98 123.42 2k4a s PHE 54 Ca 0.02 0.60 -0.06 0.00 -0.96 0.00 0.00 56.93 56.54 2k4a s PHE 54 Cb -0.11 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.60 2k4a s PHE 54 CO -0.18 -0.14 0.02 -2.00 -1.46 0.00 0.00 175.22 171.45 2k4a s GLU 55 N 0.48 3.61 0.96 10.12 2.12 -1.26 -2.25 118.70 132.48 2k4a s GLU 55 Ca -0.03 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 54.66 2k4a s GLU 55 Cb -0.04 -3.16 0.16 0.00 0.26 0.00 0.00 34.13 31.35 2k4a s GLU 55 CO -0.02 -0.08 1.12 0.95 -0.54 0.00 0.00 175.26 176.70 2k4a s THR 56 N 1.25 1.99 -0.33 -1.70 -4.23 -1.09 -4.94 115.64 106.59 2k4a s THR 56 Ca 0.04 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 2k4a s THR 56 Cb -0.15 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 2k4a s THR 56 CO 0.02 0.00 1.62 -0.75 -0.54 0.00 0.00 174.62 174.96 2k4a s LYS 57 N -5.19 3.55 -0.51 3.99 2.20 -1.26 -4.87 119.74 117.65 2k4a s LYS 57 Ca 0.65 1.33 -0.40 0.00 -0.36 0.00 0.00 55.97 57.19 2k4a s LYS 57 Cb -0.16 -4.09 -0.17 0.00 -1.51 0.00 0.00 37.83 31.90 2k4a s LYS 57 CO 0.55 -1.60 2.22 1.55 -0.36 0.00 0.00 175.35 177.71 2k4a n VAL 58 N 7.03 0.05 -2.47 4.02 3.14 -1.26 -4.79 118.33 124.05 2k4a n VAL 58 Ca 0.20 -0.08 -0.43 0.00 -2.96 0.00 0.00 64.34 61.06 2k4a n VAL 58 Cb 0.47 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 2k4a n VAL 58 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2k4a n HIS 59 N 8.60 4.23 -1.90 1.45 -0.00 -1.24 -4.97 115.22 121.38 2k4a n HIS 59 Ca 0.52 -3.00 -0.41 0.00 -0.00 0.00 0.00 57.72 54.83 2k4a n HIS 59 Cb 0.05 -2.38 -0.01 0.00 -0.00 0.00 0.00 29.99 27.64 2k4a n HIS 59 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2k4a s ARG 60 N 2.64 4.19 -0.83 -0.41 1.04 -1.26 -3.46 118.95 120.86 2k4a s ARG 60 Ca 0.47 2.45 -0.02 0.00 -1.04 0.00 0.00 55.73 57.58 2k4a s ARG 60 Cb 0.05 -3.04 0.00 0.00 -2.04 0.00 0.00 34.95 29.92 2k4a s ARG 60 CO 0.01 -0.47 0.66 1.63 -0.04 0.00 0.00 175.30 177.08 2k4a n LYS 61 N 1.47 -1.41 -3.20 3.89 4.76 -0.48 -4.93 118.16 118.26 2k4a n LYS 61 Ca 0.04 0.99 0.04 0.00 -2.87 0.00 0.00 58.31 56.51 2k4a n LYS 61 Cb 0.39 -3.69 -0.02 0.00 -1.84 0.00 0.00 35.03 29.86 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 -3.04 -0.31 -2.08 -0.18 -1.32 -0.68 -4.92 115.64 103.10 2k4a s THR 62 Ca 0.05 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.80 2k4a s THR 62 Cb -0.02 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.33 2k4a s THR 62 CO 0.84 0.00 1.61 0.18 -2.21 0.00 0.00 174.62 175.04 2k4a n LEU 63 N 5.26 1.30 -2.84 9.08 4.77 -1.26 -4.24 117.00 129.06 2k4a n LEU 63 Ca -0.07 -0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 2k4a n LEU 63 Cb 0.54 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2k4a n LEU 63 CO -0.09 0.23 -0.06 -3.20 -1.33 0.00 0.00 177.39 172.94 2k4a n ASN 64 N -0.26 0.65 -4.78 -1.43 5.15 -1.26 0.81 115.26 114.14 2k4a n ASN 64 Ca 0.15 -2.85 -0.37 0.00 -0.60 0.00 0.00 54.58 50.91 2k4a n ASN 64 Cb 0.36 -0.24 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 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 -2.33 4.52 -0.07 1.20 0.04 -1.23 -4.92 135.00 132.20 2k4a s PRO 65 Ca 0.30 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2k4a s PRO 65 Cb 0.41 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2k4a s PRO 65 CO -0.02 0.22 -0.17 0.14 0.04 0.00 0.00 177.00 177.21 2k4a s VAL 66 N -1.65 2.79 0.00 -0.36 -7.23 -1.26 -3.27 120.40 109.42 2k4a s VAL 66 Ca 0.52 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2k4a s VAL 66 Cb -0.18 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2k4a s VAL 66 CO 0.24 0.57 0.00 0.33 -0.31 0.00 0.00 175.10 175.92 2k4a n PHE 67 N 2.81 -0.38 -2.82 2.82 -0.00 -1.14 -5.05 117.46 113.69 2k4a n PHE 67 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.16 2k4a n PHE 67 Cb 0.52 0.16 0.05 0.00 -0.00 0.00 0.00 39.48 40.21 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 -1.81 -5.47 -4.87 -2.13 5.15 -0.07 -5.01 115.26 101.05 2k4a n ASN 68 Ca 0.00 -0.53 -0.31 0.00 -0.60 0.00 0.00 54.58 53.14 2k4a n ASN 68 Cb 0.00 -4.06 -0.04 0.00 -0.53 0.00 0.00 39.78 35.16 2k4a n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k4a s GLU 69 N -4.06 3.81 -0.17 1.20 2.02 -1.20 -4.91 118.70 115.39 2k4a s GLU 69 Ca 0.34 0.46 -0.11 0.00 0.02 0.00 0.00 54.97 55.69 2k4a s GLU 69 Cb -0.04 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 2k4a s GLU 69 CO 0.56 0.04 0.18 -1.14 0.02 0.00 0.00 175.26 174.92 2k4a s GLN 70 N -3.61 4.10 -0.21 1.61 -0.44 -1.26 -3.51 119.66 116.33 2k4a s GLN 70 Ca 0.51 -0.11 -0.03 0.00 -2.50 0.00 0.00 55.36 53.23 2k4a s GLN 70 Cb -0.10 -3.39 -0.01 0.00 -1.64 0.00 0.00 33.01 27.87 2k4a s GLN 70 CO 0.28 0.36 -0.05 0.12 0.50 0.00 0.00 175.29 176.49 2k4a s PHE 71 N 0.17 2.94 -0.80 1.67 5.36 -0.91 -5.00 117.98 121.41 2k4a s PHE 71 Ca 0.12 -0.96 -0.23 0.00 -0.96 0.00 0.00 56.93 54.90 2k4a s PHE 71 Cb -0.12 -2.08 0.07 0.00 -0.34 0.00 0.00 43.02 40.55 2k4a s PHE 71 CO 0.01 -0.54 1.15 0.99 -1.46 0.00 0.00 175.22 175.37 2k4a s THR 72 N 1.41 4.22 -1.39 0.12 2.01 -1.26 -1.68 115.64 119.07 2k4a s THR 72 Ca 0.05 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 2k4a s THR 72 Cb -0.14 -4.82 0.06 0.00 0.01 0.00 0.00 72.50 67.60 2k4a s THR 72 CO -0.03 -1.64 2.01 0.33 -0.69 0.00 0.00 174.62 174.60 2k4a n PHE 73 N 8.00 3.97 -1.70 4.92 -0.00 0.84 -4.82 117.46 128.67 2k4a n PHE 73 Ca 0.11 -2.93 -0.42 0.00 -0.00 0.00 0.00 57.45 54.20 2k4a n PHE 73 Cb 0.48 -2.55 -0.03 0.00 -0.00 0.00 0.00 39.48 37.38 2k4a n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2k4a s LYS 74 N 3.42 3.09 0.00 -4.13 -0.14 -1.25 -0.34 119.74 120.38 2k4a s LYS 74 Ca 0.49 1.82 0.00 0.00 -1.36 0.00 0.00 55.97 56.92 2k4a s LYS 74 Cb 0.10 -4.35 0.00 0.00 -1.68 0.00 0.00 37.83 31.90 2k4a s LYS 74 CO -0.02 -2.15 0.00 0.28 -0.76 0.00 0.00 175.35 172.70 2k4a n VAL 75 N 7.69 0.00 -1.71 3.17 0.31 -1.06 -4.70 118.33 122.04 2k4a n VAL 75 Ca 0.29 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.18 2k4a n VAL 75 Cb 0.46 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.36 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 -0.17 2.49 -0.29 5.55 -0.02 -1.26 -3.07 135.00 138.23 2k4a n PRO 76 Ca 0.00 0.89 0.27 0.00 -2.02 0.00 0.00 63.50 62.64 2k4a n PRO 76 Cb 0.00 -2.67 0.62 0.00 -0.02 0.00 0.00 33.50 31.43 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 5.58 0.33 0.03 6.00 -0.00 -1.85 0.78 116.97 127.84 2k4a h TYR 77 Ca -0.45 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.25 2k4a h TYR 77 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.87 2k4a h TYR 77 CO 0.61 0.04 -0.17 0.66 -0.00 0.00 0.00 178.16 179.30 2k4a h SER 78 N 0.21 0.10 0.00 0.10 4.64 -1.97 -3.31 113.55 113.31 2k4a h SER 78 Ca 0.54 -0.96 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2k4a h SER 78 Cb 1.72 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2k4a h SER 78 CO -0.15 1.06 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.76 2k4a h GLU 79 N -0.83 0.09 -1.53 4.77 4.81 -1.39 -2.79 114.58 117.70 2k4a h GLU 79 Ca -0.03 -0.01 0.45 0.00 -0.13 0.00 0.00 59.36 59.65 2k4a h GLU 79 Cb 1.11 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 2k4a h GLU 79 CO 0.03 0.12 1.07 1.37 -0.73 0.00 0.00 179.01 180.88 2k4a h LEU 80 N 0.09 0.09 -0.72 1.64 -0.00 0.40 -1.89 115.31 114.91 2k4a h LEU 80 Ca 0.02 0.04 0.13 0.00 -0.00 0.00 0.00 57.88 58.07 2k4a h LEU 80 Cb 0.11 0.03 -0.13 0.00 -0.00 0.00 0.00 40.66 40.67 2k4a h LEU 80 CO 0.00 -0.04 -0.29 1.23 -0.00 0.00 0.00 178.44 179.34 2k4a h GLY 81 N 0.05 0.15 -3.12 0.17 0.00 -1.71 0.61 103.07 99.22 2k4a h GLY 81 Ca 0.78 0.39 -0.25 0.00 0.00 0.00 0.00 47.33 48.25 2k4a h GLY 81 CO -0.13 -0.24 0.32 0.61 0.00 0.00 0.00 176.54 177.11 2k4a n GLY 82 N -1.47 3.47 3.02 4.60 0.00 -0.71 -1.06 105.19 113.04 2k4a n GLY 82 Ca 0.07 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.51 2.06 -0.51 1.61 3.01 0.21 -4.92 119.74 119.68 2k4a s LYS 83 Ca 0.26 -1.17 -0.28 0.00 -1.01 0.00 0.00 55.97 53.77 2k4a s LYS 83 Cb 0.21 -2.74 0.03 0.00 -1.01 0.00 0.00 37.83 34.32 2k4a s LYS 83 CO 0.02 -0.55 1.11 0.99 0.51 0.00 0.00 175.35 177.43 2k4a s THR 84 N 1.22 4.20 0.06 2.17 2.01 -1.26 -2.00 115.64 122.04 2k4a s THR 84 Ca -0.07 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.61 2k4a s THR 84 Cb -0.19 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.65 2k4a s THR 84 CO -0.06 -1.10 1.15 -0.22 -0.69 0.00 0.00 174.62 173.70 2k4a s LEU 85 N 4.47 4.38 -0.07 4.42 0.20 0.15 -2.17 118.68 130.08 2k4a s LEU 85 Ca 0.43 1.96 0.00 0.00 0.69 0.00 0.00 54.13 57.22 2k4a s LEU 85 Cb -0.08 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.12 2k4a s LEU 85 CO 0.28 -0.40 -0.05 0.68 -0.29 0.00 0.00 176.35 176.57 2k4a s VAL 86 N 0.89 0.67 -0.28 1.68 -7.23 -1.07 0.79 120.40 115.85 2k4a s VAL 86 Ca 0.56 -0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.62 2k4a s VAL 86 Cb -0.28 -0.71 0.07 0.00 0.56 0.00 0.00 36.38 36.03 2k4a s VAL 86 CO 0.30 0.28 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.98 2k4a s MET 87 N 1.26 2.01 -0.11 4.82 0.00 0.27 -1.42 119.30 126.13 2k4a s MET 87 Ca -0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 55.69 54.13 2k4a s MET 87 Cb -0.14 -2.96 -0.03 0.00 0.00 0.00 0.00 34.83 31.70 2k4a s MET 87 CO -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 175.02 174.33 2k4a s ALA 88 N 1.06 3.26 -0.35 4.11 0.00 -1.11 -0.26 121.76 128.47 2k4a s ALA 88 Ca -0.04 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2k4a s ALA 88 Cb -0.20 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2k4a s ALA 88 CO -0.06 0.47 0.20 0.54 0.00 0.00 0.00 175.76 176.91 2k4a s VAL 89 N -0.49 4.81 -0.07 0.00 0.11 0.11 0.15 120.40 125.03 2k4a s VAL 89 Ca 0.09 -0.54 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2k4a s VAL 89 Cb -0.12 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2k4a s VAL 89 CO 0.02 -0.09 0.11 -0.47 -3.33 0.00 0.00 175.10 171.35 2k4a s TYR 90 N 1.63 3.45 0.51 1.54 5.04 0.32 -2.44 117.35 127.40 2k4a s TYR 90 Ca 0.04 0.37 -0.03 0.00 -2.44 0.00 0.00 57.07 55.02 2k4a s TYR 90 Cb -0.18 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.28 2k4a s TYR 90 CO 0.08 0.64 0.78 0.34 -1.34 0.00 0.00 175.55 176.04 2k4a s ASP 91 N -1.34 5.75 -0.34 4.32 2.15 -0.66 0.12 116.67 126.66 2k4a s ASP 91 Ca 0.19 0.50 0.15 0.00 0.43 0.00 0.00 52.55 53.82 2k4a s ASP 91 Cb -0.12 -1.64 0.42 0.00 -0.30 0.00 0.00 42.92 41.28 2k4a s ASP 91 CO 0.09 -0.86 0.93 0.33 -0.17 0.00 0.00 175.17 175.49 2k4a n PHE 92 N -2.31 0.46 -0.34 -5.34 7.35 -0.36 -4.57 117.46 112.35 2k4a n PHE 92 Ca 0.03 -2.98 0.35 0.00 -0.76 0.00 0.00 57.45 54.08 2k4a n PHE 92 Cb 0.57 -0.17 0.73 0.00 0.35 0.00 0.00 39.48 40.97 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 2.92 0.04 -1.57 -2.13 2.03 -1.89 -3.43 116.42 112.40 2k4a h ASP 93 Ca -0.06 0.01 -0.16 0.00 -0.73 0.00 0.00 57.03 56.09 2k4a h ASP 93 Cb 1.13 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.64 2k4a h ASP 93 CO 0.44 0.00 -0.22 0.54 -1.03 0.00 0.00 179.24 178.97 2k4a n ARG 94 N -4.22 -1.23 0.12 4.15 1.74 -1.26 -4.84 116.66 111.13 2k4a n ARG 94 Ca 0.26 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2k4a n ARG 94 Cb 1.25 -4.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.46 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 -3.89 -2.71 -3.19 -1.55 7.35 -1.26 -5.14 117.46 107.07 2k4a n PHE 95 Ca -0.07 0.65 -0.21 0.00 -0.76 0.00 0.00 57.45 57.05 2k4a n PHE 95 Cb 0.56 1.59 0.05 0.00 0.35 0.00 0.00 39.48 42.03 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 -3.66 4.98 -0.99 -2.13 0.01 -1.26 -4.98 113.70 105.67 2k4a s SER 96 Ca 0.00 -0.95 -0.24 0.00 1.31 0.00 0.00 55.95 56.07 2k4a s SER 96 Cb 0.00 0.39 -0.08 0.00 0.21 0.00 0.00 66.02 66.54 2k4a s SER 96 CO 0.00 -1.34 2.00 -0.54 0.41 0.00 0.00 173.24 173.77 2k4a s LYS 97 N -4.62 2.35 0.11 12.44 -0.14 -1.26 -4.85 119.74 123.78 2k4a s LYS 97 Ca 0.57 -0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 54.38 2k4a s LYS 97 Cb -0.05 -5.09 -0.17 0.00 -1.68 0.00 0.00 37.83 30.85 2k4a s LYS 97 CO 0.36 -3.81 0.69 0.72 -0.76 0.00 0.00 175.35 172.55 2k4a n HIS 98 N 14.94 -0.04 -3.97 3.18 8.25 -1.26 -4.96 115.22 131.36 2k4a n HIS 98 Ca 0.42 0.94 -0.27 0.00 -0.26 0.00 0.00 57.72 58.56 2k4a n HIS 98 Cb 0.46 -1.88 -0.02 0.00 1.12 0.00 0.00 29.99 29.68 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 -0.56 4.58 -0.56 0.41 -1.08 -1.26 -4.88 116.67 113.32 2k4a s ASP 99 Ca 0.70 -1.26 -0.17 0.00 -0.52 0.00 0.00 52.55 51.29 2k4a s ASP 99 Cb -0.99 0.35 0.12 0.00 -1.46 0.00 0.00 42.92 40.93 2k4a s ASP 99 CO 0.53 -1.04 0.58 -0.63 0.52 0.00 0.00 175.17 175.13 2k4a s ILE 100 N -2.76 5.05 0.53 4.11 -1.09 -1.26 -1.65 121.20 124.13 2k4a s ILE 100 Ca 0.32 -1.28 0.18 0.00 -2.23 0.00 0.00 60.65 57.64 2k4a s ILE 100 Cb -0.02 -4.39 0.28 0.00 -1.58 0.00 0.00 42.46 36.75 2k4a s ILE 100 CO 0.20 -0.96 2.16 0.16 -1.23 0.00 0.00 174.94 175.26 2k4a h ILE 101 N 5.90 0.93 0.00 2.92 -2.65 -1.83 -3.36 117.51 119.42 2k4a h ILE 101 Ca -0.30 -0.02 0.00 0.00 1.03 0.00 0.00 64.86 65.57 2k4a h ILE 101 Cb 1.10 1.01 0.00 0.00 -2.05 0.00 0.00 36.82 36.88 2k4a h ILE 101 CO 1.06 0.01 0.00 0.61 0.03 0.00 0.00 178.15 179.86 2k4a n GLY 102 N -1.48 -0.15 3.28 0.16 0.00 -1.23 -4.10 105.19 101.67 2k4a n GLY 102 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 0.21 0.31 1.61 -1.05 0.13 0.08 118.70 117.99 2k4a s GLU 103 Ca 0.00 0.47 0.03 0.00 -0.15 0.00 0.00 54.97 55.32 2k4a s GLU 103 Cb 0.00 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 2k4a s GLU 103 CO 0.00 -0.12 0.48 -0.59 0.95 0.00 0.00 175.26 175.98 2k4a s PHE 104 N 2.51 3.43 0.05 4.83 -0.12 0.64 -4.62 117.98 124.70 2k4a s PHE 104 Ca -0.01 0.14 -0.18 0.00 -0.05 0.00 0.00 56.93 56.83 2k4a s PHE 104 Cb -0.06 -1.80 0.04 0.00 -0.63 0.00 0.00 43.02 40.56 2k4a s PHE 104 CO -0.15 0.20 0.42 -1.59 -0.05 0.00 0.00 175.22 174.05 2k4a s LYS 105 N -4.19 0.94 -0.13 1.99 0.00 -1.26 0.97 119.74 118.06 2k4a s LYS 105 Ca 0.39 -0.37 -0.11 0.00 0.00 0.00 0.00 55.97 55.88 2k4a s LYS 105 Cb -0.09 0.42 0.04 0.00 0.00 0.00 0.00 37.83 38.19 2k4a s LYS 105 CO 0.33 -0.32 0.33 0.54 0.00 0.00 0.00 175.35 176.23 2k4a s VAL 106 N -2.53 -0.01 -0.59 1.79 0.11 0.24 -4.97 120.40 114.43 2k4a s VAL 106 Ca -0.05 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 2k4a s VAL 106 Cb -0.01 -0.47 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2k4a s VAL 106 CO -0.03 0.01 1.18 -2.16 -3.33 0.00 0.00 175.10 170.77 2k4a s PRO 107 N 0.37 3.47 0.37 1.54 0.04 -1.26 0.35 135.00 139.87 2k4a s PRO 107 Ca -0.02 0.16 0.17 0.00 0.04 0.00 0.00 61.00 61.36 2k4a s PRO 107 Cb -0.03 -4.03 1.11 0.00 0.04 0.00 0.00 34.50 31.58 2k4a s PRO 107 CO -0.01 -1.71 1.70 0.52 0.04 0.00 0.00 177.00 177.53 2k4a h MET 108 N 9.57 0.34 -0.67 4.56 2.86 -1.61 0.44 114.93 130.43 2k4a h MET 108 Ca -0.25 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.56 2k4a h MET 108 Cb 1.06 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2k4a h MET 108 CO 1.19 0.23 0.49 -0.97 1.06 0.00 0.00 176.91 178.90 2k4a h ASN 109 N 0.35 0.00 -0.58 1.22 -1.24 -1.25 0.71 115.58 114.79 2k4a h ASN 109 Ca 0.69 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.70 2k4a h ASN 109 Cb 1.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.75 2k4a h ASN 109 CO -0.46 0.00 0.00 0.41 -1.29 0.00 0.00 177.43 176.09 2k4a n THR 110 N -4.31 1.98 -4.04 -3.57 -1.04 0.16 -4.83 114.28 98.63 2k4a n THR 110 Ca 0.13 -1.15 -0.31 0.00 -2.04 0.00 0.00 64.05 60.67 2k4a n THR 110 Cb 0.75 -0.04 -0.16 0.00 -1.82 0.00 0.00 70.33 69.06 2k4a n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k4a s VAL 111 N -2.10 1.86 0.50 12.58 1.01 0.25 -5.01 120.40 129.50 2k4a s VAL 111 Ca 0.48 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2k4a s VAL 111 Cb 0.33 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 2k4a s VAL 111 CO 0.20 0.19 1.11 1.51 0.00 0.00 0.00 175.10 178.11 2k4a s ASP 112 N 1.30 6.04 -0.27 3.32 1.47 -1.26 -4.93 116.67 122.34 2k4a s ASP 112 Ca -0.02 2.12 0.10 0.00 1.18 0.00 0.00 52.55 55.93 2k4a s ASP 112 Cb -0.17 -2.58 0.46 0.00 -0.34 0.00 0.00 42.92 40.30 2k4a s ASP 112 CO -0.08 -1.00 1.18 2.22 0.68 0.00 0.00 175.17 178.17 2k4a n PHE 113 N -0.98 2.22 0.42 2.11 -1.74 -1.26 -4.75 117.46 113.47 2k4a n PHE 113 Ca 0.10 -2.11 0.12 0.00 -0.56 0.00 0.00 57.45 55.00 2k4a n PHE 113 Cb 0.51 -0.31 0.22 0.00 1.52 0.00 0.00 39.48 41.42 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 2.12 0.00 0.00 4.97 0.00 -2.00 -3.46 103.07 104.69 2k4a h GLY 114 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2k4a h GLY 114 CO 0.59 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.55 2k4a n HIS 115 N -2.53 0.00 -3.77 5.60 8.25 -1.26 -5.12 115.22 116.39 2k4a n HIS 115 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 2k4a n HIS 115 Cb 0.48 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 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 1.29 -0.05 -1.00 1.59 -7.23 -1.26 -3.92 120.40 109.82 2k4a s VAL 116 Ca 0.00 0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 60.15 2k4a s VAL 116 Cb 0.00 -0.16 0.12 0.00 0.56 0.00 0.00 36.38 36.90 2k4a s VAL 116 CO 0.00 0.07 1.26 -0.89 -0.31 0.00 0.00 175.10 175.23 2k4a s THR 117 N 0.95 4.58 -0.39 5.32 2.01 0.58 -4.88 115.64 123.81 2k4a s THR 117 Ca -0.08 -1.57 -0.04 0.00 0.31 0.00 0.00 61.69 60.31 2k4a s THR 117 Cb -0.10 -4.87 0.09 0.00 0.01 0.00 0.00 72.50 67.62 2k4a s THR 117 CO -0.04 -1.64 0.18 -1.61 -0.69 0.00 0.00 174.62 170.82 2k4a s GLU 118 N 3.07 2.26 0.33 4.92 2.02 -1.26 0.51 118.70 130.55 2k4a s GLU 118 Ca 0.38 -1.60 -0.06 0.00 0.02 0.00 0.00 54.97 53.70 2k4a s GLU 118 Cb -0.03 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.65 2k4a s GLU 118 CO -0.07 -0.95 0.51 -1.83 0.02 0.00 0.00 175.26 172.94 2k4a s GLU 119 N 1.25 1.87 -0.24 1.61 -1.05 -1.01 -5.02 118.70 116.11 2k4a s GLU 119 Ca 0.04 -1.62 -0.12 0.00 -0.15 0.00 0.00 54.97 53.12 2k4a s GLU 119 Cb -0.22 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 33.89 2k4a s GLU 119 CO -0.02 -0.79 0.22 -1.58 0.95 0.00 0.00 175.26 174.04 2k4a s TRP 120 N -3.16 3.31 -0.18 4.83 0.23 -1.26 -2.75 118.94 119.97 2k4a s TRP 120 Ca 0.27 0.29 -0.07 0.00 -2.03 0.00 0.00 56.10 54.57 2k4a s TRP 120 Cb -0.01 -2.34 -0.04 0.00 0.03 0.00 0.00 33.47 31.11 2k4a s TRP 120 CO 0.17 0.02 0.05 0.50 0.96 0.00 0.00 176.95 178.64 2k4a s ARG 121 N 1.22 3.90 0.25 4.98 6.06 0.21 -4.98 118.95 130.60 2k4a s ARG 121 Ca 0.10 -0.38 -0.30 0.00 -2.50 0.00 0.00 55.73 52.65 2k4a s ARG 121 Cb -0.14 -3.17 -0.09 0.00 0.06 0.00 0.00 34.95 31.61 2k4a s ARG 121 CO 0.06 0.24 1.16 0.16 -2.50 0.00 0.00 175.30 174.42 2k4a s ASP 122 N 0.46 7.14 -0.20 -2.12 -4.77 -1.26 0.92 116.67 116.84 2k4a s ASP 122 Ca 0.02 2.30 -0.08 0.00 -3.30 0.00 0.00 52.55 51.50 2k4a s ASP 122 Cb -0.13 -2.62 -0.04 0.00 -1.09 0.00 0.00 42.92 39.04 2k4a s ASP 122 CO 0.01 -0.28 0.07 -0.76 0.70 0.00 0.00 175.17 174.91 2k4a s LEU 123 N -0.99 3.81 0.09 2.11 1.43 -0.00 -4.76 118.68 120.37 2k4a s LEU 123 Ca 0.48 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 2k4a s LEU 123 Cb -0.33 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 2k4a s LEU 123 CO 0.41 0.14 -0.20 0.00 0.23 0.00 0.00 176.35 176.93 2k4a s GLN 124 N 0.58 1.10 0.57 1.70 -2.07 -1.26 0.93 119.66 121.20 2k4a s GLN 124 Ca 0.04 -1.10 -0.14 0.00 -1.82 0.00 0.00 55.36 52.34 2k4a s GLN 124 Cb -0.13 -1.31 -0.06 0.00 -1.09 0.00 0.00 33.01 30.43 2k4a s GLN 124 CO 0.01 0.31 1.01 -1.12 -1.32 0.00 0.00 175.29 174.17 2k4a s SER 125 N -1.79 6.41 -0.47 12.60 0.01 -1.19 0.17 113.70 129.44 2k4a s SER 125 Ca 0.05 1.51 0.06 0.00 1.31 0.00 0.00 55.95 58.88 2k4a s SER 125 Cb -0.10 -2.49 0.20 0.00 0.21 0.00 0.00 66.02 63.84 2k4a s SER 125 CO 0.04 -0.74 0.63 0.00 0.41 0.00 0.00 173.24 173.58 2k4a n ALA 126 N -2.14 -0.04 -1.67 1.44 0.00 -1.26 -4.74 120.51 112.10 2k4a n ALA 126 Ca 0.06 -1.92 -0.47 0.00 0.00 0.00 0.00 53.44 51.11 2k4a n ALA 126 Cb 0.54 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2k4a n ALA 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4a n GLU 127 N 2.49 2.14 0.00 0.00 0.00 -1.26 -4.74 120.64 119.26 2k4a n GLU 127 Ca 0.20 0.78 0.00 0.00 0.00 0.00 0.00 57.16 58.14 2k4a n GLU 127 Cb 0.55 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 29.41 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76