#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 0.32 0.00 3.49 0.00 -1.26 -4.47 119.74 117.82 2k4a s LYS 2 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 55.97 56.65 2k4a s LYS 2 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.78 2k4a s LYS 2 CO 0.00 -0.16 0.51 -0.11 0.00 0.00 0.00 175.35 175.59 2k4a n LEU 3 N 4.20 0.58 0.00 2.77 7.94 0.17 -3.72 117.00 128.93 2k4a n LEU 3 Ca -0.24 -0.58 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 2k4a n LEU 3 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2k4a n LEU 3 CO 0.11 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 2k4a n GLY 4 N -0.12 0.79 3.26 -3.96 0.00 -0.98 -3.97 105.19 100.22 2k4a n GLY 4 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 0.74 -0.07 1.61 1.02 -0.12 0.73 119.74 123.65 2k4a s LYS 5 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2k4a s LYS 5 Cb 0.00 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2k4a s LYS 5 CO 0.00 -0.22 -0.06 -1.17 -0.92 0.00 0.00 175.35 172.98 2k4a s LEU 6 N -1.54 1.18 0.05 3.17 0.20 0.35 0.53 118.68 122.62 2k4a s LEU 6 Ca -0.11 -0.20 -0.19 0.00 0.69 0.00 0.00 54.13 54.32 2k4a s LEU 6 Cb -0.04 -0.62 -0.06 0.00 -0.43 0.00 0.00 46.19 45.04 2k4a s LEU 6 CO 0.02 -0.09 0.57 -1.10 -0.29 0.00 0.00 176.35 175.46 2k4a s GLN 7 N 1.32 4.22 -0.10 1.98 -1.52 0.83 -1.29 119.66 125.10 2k4a s GLN 7 Ca -0.04 0.72 -0.26 0.00 -1.95 0.00 0.00 55.36 53.83 2k4a s GLN 7 Cb -0.14 -3.26 0.06 0.00 -0.22 0.00 0.00 33.01 29.45 2k4a s GLN 7 CO -0.03 0.58 0.60 1.52 -0.25 0.00 0.00 175.29 177.71 2k4a s TYR 8 N -0.88 -0.58 -0.35 0.91 1.13 -1.17 0.18 117.35 116.58 2k4a s TYR 8 Ca 0.29 1.13 0.02 0.00 -1.41 0.00 0.00 57.07 57.10 2k4a s TYR 8 Cb -0.19 0.31 0.11 0.00 -1.10 0.00 0.00 41.96 41.08 2k4a s TYR 8 CO 0.18 -0.49 0.10 -1.12 -2.51 0.00 0.00 175.55 171.71 2k4a s SER 9 N -0.79 4.35 0.23 -0.18 0.01 -0.08 -2.22 113.70 115.02 2k4a s SER 9 Ca -0.08 -2.06 0.05 0.00 1.31 0.00 0.00 55.95 55.16 2k4a s SER 9 Cb -0.02 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.89 2k4a s SER 9 CO 0.06 -0.37 0.31 -0.76 0.41 0.00 0.00 173.24 172.89 2k4a s LEU 10 N 1.04 4.20 0.00 2.44 1.43 0.13 -3.24 118.68 124.67 2k4a s LEU 10 Ca 0.12 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2k4a s LEU 10 Cb -0.19 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.30 2k4a s LEU 10 CO -0.13 -0.04 0.23 -0.90 0.23 0.00 0.00 176.35 175.74 2k4a n ASP 11 N -1.20 -0.66 -4.07 2.29 5.68 0.25 0.25 116.55 119.09 2k4a n ASP 11 Ca -0.08 -1.65 -0.09 0.00 -0.50 0.00 0.00 54.79 52.46 2k4a n ASP 11 Cb 0.57 1.16 -0.09 0.00 -1.14 0.00 0.00 41.12 41.61 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 -5.25 0.61 -0.07 2.11 1.13 -1.26 0.17 117.35 114.79 2k4a s TYR 12 Ca 0.09 -1.05 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 2k4a s TYR 12 Cb -0.01 -0.35 0.02 0.00 -1.10 0.00 0.00 41.96 40.53 2k4a s TYR 12 CO 0.06 -0.50 -0.05 0.34 -2.51 0.00 0.00 175.55 172.89 2k4a s ASP 13 N -2.97 1.42 0.01 -0.18 -1.08 0.24 -4.83 116.67 109.27 2k4a s ASP 13 Ca 0.15 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.25 2k4a s ASP 13 Cb 0.07 -0.56 0.21 0.00 -1.46 0.00 0.00 42.92 41.18 2k4a s ASP 13 CO -0.04 -0.09 1.20 2.22 0.52 0.00 0.00 175.17 178.98 2k4a n PHE 14 N 4.45 0.06 -0.07 -5.34 1.16 -1.26 -0.73 117.46 115.73 2k4a n PHE 14 Ca -0.18 0.02 -0.13 0.00 -1.87 0.00 0.00 57.45 55.29 2k4a n PHE 14 Cb 0.51 -0.22 -0.06 0.00 -1.61 0.00 0.00 39.48 38.09 2k4a n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k4a h GLN 15 N 0.00 0.45 0.00 3.97 3.07 -1.95 -3.26 115.11 117.39 2k4a h GLN 15 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2k4a h GLN 15 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 2k4a h GLN 15 CO 0.00 0.79 -1.23 0.27 0.09 0.00 0.00 178.83 178.76 2k4a n ASN 16 N -4.49 0.76 -2.37 0.06 0.23 -1.26 -5.04 115.26 103.16 2k4a n ASN 16 Ca -0.05 -0.66 -0.02 0.00 -0.53 0.00 0.00 54.58 53.32 2k4a n ASN 16 Cb 0.38 1.29 0.00 0.00 -2.08 0.00 0.00 39.78 39.37 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 -1.69 -5.50 -3.50 0.53 3.02 -0.69 -4.92 115.26 102.51 2k4a n ASN 17 Ca 0.01 0.13 -0.10 0.00 -0.03 0.00 0.00 54.58 54.60 2k4a n ASN 17 Cb 0.37 -3.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.92 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 -2.50 0.86 -0.12 3.52 1.03 0.09 -2.67 119.66 119.87 2k4a s GLN 18 Ca 0.07 -0.24 -0.05 0.00 0.04 0.00 0.00 55.36 55.17 2k4a s GLN 18 Cb -0.02 0.40 -0.04 0.00 0.03 0.00 0.00 33.01 33.38 2k4a s GLN 18 CO 0.45 -0.36 0.09 -0.51 -2.54 0.00 0.00 175.29 172.42 2k4a s LEU 19 N -2.29 4.06 -0.72 2.60 1.43 0.12 0.81 118.68 124.68 2k4a s LEU 19 Ca 0.03 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 2k4a s LEU 19 Cb -0.01 -1.98 0.16 0.00 0.03 0.00 0.00 46.19 44.39 2k4a s LEU 19 CO -0.07 0.37 0.74 -0.22 0.23 0.00 0.00 176.35 177.39 2k4a s LEU 20 N -0.78 6.07 -0.79 1.79 1.98 0.44 0.29 118.68 127.68 2k4a s LEU 20 Ca 0.13 -2.09 -0.21 0.00 -2.89 0.00 0.00 54.13 49.06 2k4a s LEU 20 Cb -0.12 -2.26 0.09 0.00 0.66 0.00 0.00 46.19 44.57 2k4a s LEU 20 CO 0.03 -0.84 1.07 -0.69 -1.89 0.00 0.00 176.35 174.03 2k4a s VAL 21 N 1.44 4.45 -0.70 1.68 1.01 -0.17 -0.58 120.40 127.53 2k4a s VAL 21 Ca 0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2k4a s VAL 21 Cb -0.17 -4.75 0.18 0.00 0.00 0.00 0.00 36.38 31.64 2k4a s VAL 21 CO -0.03 -1.52 0.56 -0.83 0.00 0.00 0.00 175.10 173.29 2k4a s GLY 22 N 3.76 2.56 0.96 4.51 0.00 -1.20 0.80 107.32 118.71 2k4a s GLY 22 Ca 0.28 -3.27 -0.12 0.00 0.00 0.00 0.00 44.72 41.61 2k4a s GLY 22 CO 0.01 1.16 1.10 -0.26 0.00 0.00 0.00 173.10 175.11 2k4a s ILE 23 N 0.05 2.22 -0.03 0.90 -0.00 -1.12 -0.90 121.20 122.33 2k4a s ILE 23 Ca 0.17 0.07 -0.06 0.00 -0.00 0.00 0.00 60.65 60.84 2k4a s ILE 23 Cb -0.17 -2.61 -0.02 0.00 -0.00 0.00 0.00 42.46 39.66 2k4a s ILE 23 CO -0.05 -0.09 -0.11 -0.38 -0.00 0.00 0.00 174.94 174.30 2k4a n ILE 24 N -4.02 0.81 -3.58 8.37 5.41 0.49 -3.71 119.36 123.13 2k4a n ILE 24 Ca 0.06 0.27 -0.08 0.00 1.00 0.00 0.00 62.75 63.99 2k4a n ILE 24 Cb 0.57 -1.70 -0.02 0.00 -0.71 0.00 0.00 39.64 37.79 2k4a n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4a s GLN 25 N -1.88 1.12 -0.03 0.38 1.03 -1.03 -1.79 119.66 117.45 2k4a s GLN 25 Ca -0.09 -0.50 0.07 0.00 0.04 0.00 0.00 55.36 54.89 2k4a s GLN 25 Cb 0.01 0.46 -0.02 0.00 0.03 0.00 0.00 33.01 33.49 2k4a s GLN 25 CO 0.13 -0.50 -0.25 0.00 -2.54 0.00 0.00 175.29 172.14 2k4a s ALA 26 N -3.39 2.10 -0.02 2.60 0.00 -0.87 -0.12 121.76 122.05 2k4a s ALA 26 Ca 0.06 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.00 2k4a s ALA 26 Cb -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2k4a s ALA 26 CO -0.06 0.48 -0.13 0.00 0.00 0.00 0.00 175.76 176.05 2k4a s ALA 27 N -0.45 1.15 0.00 0.00 0.00 0.19 -2.90 121.76 119.74 2k4a s ALA 27 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2k4a s ALA 27 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2k4a s ALA 27 CO 0.00 0.24 0.00 0.39 0.00 0.00 0.00 175.76 176.40 2k4a n GLU 28 N 2.96 0.00 -2.91 0.00 1.02 -1.13 -0.94 120.64 119.64 2k4a n GLU 28 Ca -0.16 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.60 2k4a n GLU 28 Cb 0.55 -2.46 -0.06 0.00 -0.02 0.00 0.00 31.44 29.45 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 -1.50 4.51 0.75 -4.62 1.43 -0.79 -3.32 118.68 115.14 2k4a s LEU 29 Ca 0.00 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.66 2k4a s LEU 29 Cb 0.00 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.69 2k4a s LEU 29 CO 0.00 0.11 1.13 -2.65 0.23 0.00 0.00 176.35 175.17 2k4a n PRO 30 N 1.19 0.47 -3.15 1.29 -0.02 -1.26 -4.77 135.00 128.75 2k4a n PRO 30 Ca -0.03 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2k4a n PRO 30 Cb 0.49 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.88 3.50 -0.10 3.55 0.00 -1.26 -4.50 121.76 121.06 2k4a s ALA 31 Ca 0.75 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.99 2k4a s ALA 31 Cb -0.33 -3.09 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 2k4a s ALA 31 CO 0.49 -1.17 0.02 1.28 0.00 0.00 0.00 175.76 176.38 2k4a n LEU 32 N 5.88 0.34 -4.83 0.00 7.99 -0.43 -4.81 117.00 121.13 2k4a n LEU 32 Ca -0.02 -0.01 -0.32 0.00 -0.01 0.00 0.00 56.01 55.65 2k4a n LEU 32 Cb 0.49 0.17 -0.03 0.00 -0.11 0.00 0.00 43.42 43.94 2k4a n LEU 32 CO 0.46 0.31 0.69 -0.62 -1.51 0.00 0.00 177.39 176.71 2k4a s ASP 33 N -4.37 6.47 -0.68 -1.43 -1.08 0.48 -4.91 116.67 111.16 2k4a s ASP 33 Ca -0.06 1.65 -0.23 0.00 -0.52 0.00 0.00 52.55 53.38 2k4a s ASP 33 Cb 0.03 -2.52 -0.19 0.00 -1.46 0.00 0.00 42.92 38.78 2k4a s ASP 33 CO 0.41 -0.69 1.88 0.80 0.52 0.00 0.00 175.17 178.08 2k4a n MET 34 N -1.55 1.28 0.00 4.34 0.00 -1.26 -3.49 117.12 116.45 2k4a n MET 34 Ca 0.07 -1.75 0.00 0.00 -0.00 0.00 0.00 57.70 56.02 2k4a n MET 34 Cb 0.54 -2.89 0.00 0.00 0.00 0.00 0.00 33.22 30.86 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 4.65 0.00 3.65 -5.12 0.00 -1.26 -4.96 105.19 102.15 2k4a n GLY 35 Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 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 3.58 -0.02 0.00 -1.23 -4.87 105.19 102.20 2k4a n GLY 36 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k4a n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4a s THR 37 N -2.84 0.00 0.31 2.61 -4.23 -1.25 -4.80 115.64 105.44 2k4a s THR 37 Ca 0.49 -1.44 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 2k4a s THR 37 Cb -0.28 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2k4a s THR 37 CO 0.60 0.00 0.67 -0.44 -0.54 0.00 0.00 174.62 174.90 2k4a s SER 38 N -3.20 -0.00 -0.77 3.99 0.01 -1.26 0.18 113.70 112.64 2k4a s SER 38 Ca 0.27 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.60 2k4a s SER 38 Cb -0.02 0.73 0.31 0.00 0.21 0.00 0.00 66.02 67.26 2k4a s SER 38 CO 0.18 -1.41 1.21 0.47 0.41 0.00 0.00 173.24 174.10 2k4a n ASP 39 N -0.86 5.36 -4.67 2.44 9.92 -1.26 0.70 116.55 128.19 2k4a n ASP 39 Ca -0.04 -3.61 -0.43 0.00 -0.53 0.00 0.00 54.79 50.18 2k4a n ASP 39 Cb 0.60 -0.83 -0.02 0.00 -0.64 0.00 0.00 41.12 40.22 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 -3.42 4.28 -0.01 -0.24 0.04 -1.21 0.08 135.00 134.52 2k4a s PRO 40 Ca 0.42 1.63 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2k4a s PRO 40 Cb 0.20 -3.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2k4a s PRO 40 CO -0.08 -0.60 -0.17 1.52 0.04 0.00 0.00 177.00 177.71 2k4a s TYR 41 N 2.98 1.52 -0.18 0.56 -0.85 0.28 -3.97 117.35 117.70 2k4a s TYR 41 Ca 0.54 -0.30 -0.22 0.00 -0.52 0.00 0.00 57.07 56.58 2k4a s TYR 41 Cb -0.22 -0.97 -0.02 0.00 0.38 0.00 0.00 41.96 41.12 2k4a s TYR 41 CO 0.17 -0.02 0.66 0.14 -1.52 0.00 0.00 175.55 174.98 2k4a s VAL 42 N -0.44 5.00 -0.26 -3.49 -7.23 -1.26 0.94 120.40 113.66 2k4a s VAL 42 Ca 0.06 1.27 -0.05 0.00 -1.81 0.00 0.00 61.98 61.45 2k4a s VAL 42 Cb -0.07 -3.98 -0.00 0.00 0.56 0.00 0.00 36.38 32.89 2k4a s VAL 42 CO -0.00 0.11 0.02 -1.59 -0.31 0.00 0.00 175.10 173.32 2k4a s LYS 43 N 1.86 3.24 0.01 4.82 -2.85 0.36 -2.67 119.74 124.51 2k4a s LYS 43 Ca 0.31 -0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 2k4a s LYS 43 Cb -0.16 -3.19 -0.05 0.00 -2.06 0.00 0.00 37.83 32.37 2k4a s LYS 43 CO 0.11 -0.31 1.32 0.14 0.10 0.00 0.00 175.35 176.70 2k4a s VAL 44 N 1.49 3.85 0.27 1.79 -7.23 -0.93 -1.99 120.40 117.65 2k4a s VAL 44 Ca 0.04 1.25 0.04 0.00 -1.81 0.00 0.00 61.98 61.50 2k4a s VAL 44 Cb -0.16 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 32.92 2k4a s VAL 44 CO -0.00 0.02 0.01 -0.36 -0.31 0.00 0.00 175.10 174.47 2k4a s PHE 45 N 2.00 1.77 0.14 2.82 0.08 0.47 -4.20 117.98 121.06 2k4a s PHE 45 Ca 0.61 -0.91 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 2k4a s PHE 45 Cb -0.30 -1.07 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 2k4a s PHE 45 CO 0.26 0.01 0.17 -0.51 -0.10 0.00 0.00 175.22 175.06 2k4a s LEU 46 N -3.39 1.39 0.00 -0.37 2.01 -1.26 -2.03 118.68 115.02 2k4a s LEU 46 Ca 0.32 -0.98 -0.01 0.00 0.01 0.00 0.00 54.13 53.47 2k4a s LEU 46 Cb 0.07 0.79 0.01 0.00 0.01 0.00 0.00 46.19 47.07 2k4a s LEU 46 CO 0.12 -0.80 0.03 0.00 1.01 0.00 0.00 176.35 176.71 2k4a n LEU 47 N -0.14 0.00 -0.13 1.79 -0.00 -0.91 -4.26 117.00 113.36 2k4a n LEU 47 Ca -0.08 -0.03 0.10 0.00 -0.00 0.00 0.00 56.01 56.00 2k4a n LEU 47 Cb 0.63 -0.04 0.18 0.00 -0.00 0.00 0.00 43.42 44.20 2k4a n LEU 47 CO 0.27 -1.41 0.37 -2.65 -0.00 0.00 0.00 177.39 173.97 2k4a n PRO 48 N -1.99 -0.03 -0.39 1.47 -0.02 -1.26 0.23 135.00 133.01 2k4a n PRO 48 Ca 0.01 0.57 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 2k4a n PRO 48 Cb 0.02 -0.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4a n ASP 49 N -4.12 -0.83 -2.11 2.55 -0.08 -1.26 -4.73 116.55 105.96 2k4a n ASP 49 Ca 0.13 1.71 -0.02 0.00 -1.51 0.00 0.00 54.79 55.09 2k4a n ASP 49 Cb 0.42 -0.30 -0.00 0.00 2.34 0.00 0.00 41.12 43.57 2k4a n ASP 49 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2k4a n LYS 50 N -5.32 -2.37 -2.09 -0.67 0.00 0.13 -4.80 118.16 103.04 2k4a n LYS 50 Ca 0.06 0.13 -0.40 0.00 0.00 0.00 0.00 58.31 58.09 2k4a n LYS 50 Cb 0.32 -4.52 -0.00 0.00 0.00 0.00 0.00 35.03 30.83 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k4a n LYS 51 N -2.19 4.69 0.00 1.64 5.02 -1.26 -4.79 118.16 121.27 2k4a n LYS 51 Ca -0.03 -3.65 0.00 0.00 -2.02 0.00 0.00 58.31 52.61 2k4a n LYS 51 Cb 0.41 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 1.36 0.00 -3.47 1.97 2.85 -1.26 -4.51 118.16 115.10 2k4a n LYS 52 Ca 0.59 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.66 2k4a n LYS 52 Cb 0.26 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.51 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 0.23 -0.02 -1.58 2.20 -1.26 -4.74 119.74 114.57 2k4a s LYS 53 Ca 0.00 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 2k4a s LYS 53 Cb 0.00 -1.04 0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2k4a s LYS 53 CO 0.00 -0.81 -0.03 0.12 -0.36 0.00 0.00 175.35 174.27 2k4a s PHE 54 N 2.31 0.45 -0.03 4.03 5.36 -1.26 -5.07 117.98 123.77 2k4a s PHE 54 Ca 0.08 -0.08 0.05 0.00 -0.96 0.00 0.00 56.93 56.02 2k4a s PHE 54 Cb -0.15 -0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.10 2k4a s PHE 54 CO -0.21 -0.09 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.30 2k4a s GLU 55 N 0.52 2.38 0.74 10.12 2.12 -1.26 -2.19 118.70 131.12 2k4a s GLU 55 Ca -0.06 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.43 2k4a s GLU 55 Cb -0.09 -2.31 0.09 0.00 0.26 0.00 0.00 34.13 32.09 2k4a s GLU 55 CO -0.01 0.60 1.05 0.95 -0.54 0.00 0.00 175.26 177.31 2k4a s THR 56 N -0.76 2.22 0.19 -1.70 -4.23 -1.09 -5.03 115.64 105.25 2k4a s THR 56 Ca 0.12 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.04 2k4a s THR 56 Cb -0.11 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 70.72 2k4a s THR 56 CO 0.01 0.00 1.19 -0.75 -0.54 0.00 0.00 174.62 174.54 2k4a s LYS 57 N -5.31 4.50 -0.25 3.99 2.20 -1.26 -4.86 119.74 118.75 2k4a s LYS 57 Ca 0.63 1.88 -0.28 0.00 -0.36 0.00 0.00 55.97 57.84 2k4a s LYS 57 Cb -0.09 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 2k4a s LYS 57 CO 0.46 -0.07 2.24 1.55 -0.36 0.00 0.00 175.35 179.17 2k4a n VAL 58 N 2.39 0.30 -2.78 4.02 3.14 -1.26 -4.77 118.33 119.36 2k4a n VAL 58 Ca 0.04 -0.48 -0.43 0.00 -2.96 0.00 0.00 64.34 60.50 2k4a n VAL 58 Cb 0.45 -2.54 -0.01 0.00 -1.06 0.00 0.00 33.84 30.68 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 8.65 3.05 0.36 1.45 0.09 -1.25 -4.99 115.29 122.65 2k4a s HIS 59 Ca 1.01 -1.60 -0.27 0.00 -0.00 0.00 0.00 55.06 54.21 2k4a s HIS 59 Cb -0.35 -4.49 -0.12 0.00 -0.00 0.00 0.00 32.58 27.62 2k4a s HIS 59 CO 0.35 -1.62 1.21 2.89 -0.00 0.00 0.00 174.74 177.57 2k4a n ARG 60 N 7.14 1.88 -2.93 1.40 -4.01 -1.26 -3.32 116.66 115.56 2k4a n ARG 60 Ca 0.36 0.66 -0.11 0.00 -1.04 0.00 0.00 57.85 57.72 2k4a n ARG 60 Cb 0.47 -2.24 0.00 0.00 -3.04 0.00 0.00 32.46 27.65 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 0.41 -0.66 -3.41 2.89 4.76 -0.54 -4.86 118.16 116.74 2k4a n LYS 61 Ca 0.06 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2k4a n LYS 61 Cb 0.37 -0.91 -0.03 0.00 -1.84 0.00 0.00 35.03 32.62 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 -2.21 -0.96 -0.87 -0.18 -1.32 0.22 -4.78 115.64 105.54 2k4a s THR 62 Ca 0.02 0.01 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 2k4a s THR 62 Cb -0.00 -0.97 0.11 0.00 -1.51 0.00 0.00 72.50 70.12 2k4a s THR 62 CO 0.37 -0.00 1.55 0.18 -2.21 0.00 0.00 174.62 174.51 2k4a n LEU 63 N 5.43 0.48 -3.14 9.08 4.77 -1.26 -4.14 117.00 128.22 2k4a n LEU 63 Ca -0.07 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 2k4a n LEU 63 Cb 0.50 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2k4a n LEU 63 CO -0.00 0.01 -0.03 -3.20 -1.33 0.00 0.00 177.39 172.83 2k4a n ASN 64 N -1.77 2.71 -4.75 -1.43 5.15 -1.26 -1.88 115.26 112.04 2k4a n ASN 64 Ca 0.05 -3.31 -0.41 0.00 -0.60 0.00 0.00 54.58 50.32 2k4a n ASN 64 Cb 0.38 -0.61 -0.04 0.00 -0.53 0.00 0.00 39.78 38.98 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 -2.66 4.57 -0.05 1.20 0.04 -1.14 -4.87 135.00 132.08 2k4a s PRO 65 Ca 0.43 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2k4a s PRO 65 Cb 0.26 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.58 2k4a s PRO 65 CO -0.09 0.07 -0.19 0.14 0.04 0.00 0.00 177.00 176.97 2k4a s VAL 66 N -0.65 1.58 0.00 -0.36 -7.23 -1.26 -2.06 120.40 110.42 2k4a s VAL 66 Ca 0.48 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 2k4a s VAL 66 Cb -0.32 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2k4a s VAL 66 CO 0.39 0.45 0.00 0.33 -0.31 0.00 0.00 175.10 175.96 2k4a n PHE 67 N 3.11 -0.39 -2.96 2.82 -0.00 -1.11 -5.05 117.46 113.88 2k4a n PHE 67 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.16 2k4a n PHE 67 Cb 0.53 0.09 0.06 0.00 -0.00 0.00 0.00 39.48 40.15 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 -1.67 -2.21 -4.85 -2.13 5.15 -0.74 -5.01 115.26 103.80 2k4a n ASN 68 Ca 0.00 -0.40 -0.31 0.00 -0.60 0.00 0.00 54.58 53.27 2k4a n ASN 68 Cb 0.00 -3.54 0.03 0.00 -0.53 0.00 0.00 39.78 35.75 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 -4.95 3.21 -0.18 1.20 2.02 -1.24 -4.81 118.70 113.94 2k4a s GLU 69 Ca 0.02 0.83 -0.04 0.00 0.02 0.00 0.00 54.97 55.81 2k4a s GLU 69 Cb -0.01 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 2k4a s GLU 69 CO 0.48 -0.87 -0.04 -1.14 0.02 0.00 0.00 175.26 173.71 2k4a s GLN 70 N -5.12 3.53 -0.29 1.61 -0.44 -1.26 -2.79 119.66 114.90 2k4a s GLN 70 Ca 0.57 -0.57 -0.09 0.00 -2.50 0.00 0.00 55.36 52.76 2k4a s GLN 70 Cb -0.13 -2.95 -0.02 0.00 -1.64 0.00 0.00 33.01 28.28 2k4a s GLN 70 CO 0.54 0.05 0.13 0.12 0.50 0.00 0.00 175.29 176.64 2k4a s PHE 71 N 0.85 3.16 -0.93 1.67 5.36 0.24 -4.96 117.98 123.37 2k4a s PHE 71 Ca -0.01 -0.45 -0.24 0.00 -0.96 0.00 0.00 56.93 55.27 2k4a s PHE 71 Cb -0.15 -2.33 0.03 0.00 -0.34 0.00 0.00 43.02 40.24 2k4a s PHE 71 CO 0.01 -0.40 1.48 0.99 -1.46 0.00 0.00 175.22 175.84 2k4a s THR 72 N 1.63 3.80 -1.22 0.12 2.01 -1.26 -1.00 115.64 119.72 2k4a s THR 72 Ca 0.05 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 2k4a s THR 72 Cb -0.16 -4.88 -0.02 0.00 0.01 0.00 0.00 72.50 67.45 2k4a s THR 72 CO 0.06 -1.78 1.98 0.33 -0.69 0.00 0.00 174.62 174.51 2k4a n PHE 73 N 9.66 3.37 -1.67 4.92 -0.00 0.15 -4.89 117.46 128.99 2k4a n PHE 73 Ca 0.26 -2.44 -0.19 0.00 -0.00 0.00 0.00 57.45 55.08 2k4a n PHE 73 Cb 0.50 -2.41 -0.06 0.00 -0.00 0.00 0.00 39.48 37.51 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 4.42 1.86 -0.28 -4.13 -0.14 -1.26 0.12 119.74 120.34 2k4a s LYS 74 Ca 0.55 0.47 -0.19 0.00 -1.36 0.00 0.00 55.97 55.44 2k4a s LYS 74 Cb 0.09 -4.80 0.09 0.00 -1.68 0.00 0.00 37.83 31.53 2k4a s LYS 74 CO 0.04 -4.06 0.75 0.54 -0.76 0.00 0.00 175.35 171.86 2k4a s VAL 75 N 13.45 0.00 0.24 3.17 0.11 -1.09 -4.78 120.40 131.51 2k4a s VAL 75 Ca 0.88 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.63 2k4a s VAL 75 Cb -0.12 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.62 2k4a s VAL 75 CO 0.09 0.00 1.49 -2.84 -3.33 0.00 0.00 175.10 170.51 2k4a s PRO 76 N 1.24 4.24 0.27 1.54 0.02 -1.22 -2.78 135.00 138.31 2k4a s PRO 76 Ca -0.07 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 2k4a s PRO 76 Cb -0.05 -3.10 0.59 0.00 0.02 0.00 0.00 34.50 31.96 2k4a s PRO 76 CO -0.14 -0.48 1.66 0.10 -0.33 0.00 0.00 177.00 177.81 2k4a h TYR 77 N 5.29 0.31 -0.42 6.54 -0.00 -1.90 1.71 116.97 128.50 2k4a h TYR 77 Ca -0.46 0.05 -0.06 0.00 0.00 0.00 0.00 58.73 58.26 2k4a h TYR 77 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 36.73 37.92 2k4a h TYR 77 CO 0.61 -0.15 0.01 0.77 -0.00 0.00 0.00 178.16 179.40 2k4a h SER 78 N 0.24 0.72 0.26 0.10 0.02 -2.00 -2.90 113.55 109.97 2k4a h SER 78 Ca 0.49 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 2k4a h SER 78 Cb 0.92 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2k4a h SER 78 CO -0.59 0.84 -0.48 -0.08 -1.14 0.00 0.00 176.83 175.37 2k4a h GLU 79 N 0.57 0.27 -0.70 3.45 4.81 -1.00 -3.03 114.58 118.95 2k4a h GLU 79 Ca 0.12 -0.15 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 2k4a h GLU 79 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2k4a h GLU 79 CO 0.02 0.69 0.50 1.25 -0.73 0.00 0.00 179.01 180.74 2k4a h LEU 80 N 0.21 0.05 -0.33 1.64 6.46 0.26 -3.19 115.31 120.40 2k4a h LEU 80 Ca 0.01 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 2k4a h LEU 80 Cb 0.93 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 2k4a h LEU 80 CO 0.08 0.02 -0.20 0.61 -0.62 0.00 0.00 178.44 178.33 2k4a n GLY 81 N -1.65 -2.12 2.32 3.75 0.00 -1.15 -0.71 105.19 105.63 2k4a n GLY 81 Ca 0.14 0.63 -0.22 0.00 0.00 0.00 0.00 46.02 46.57 2k4a n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 82 N -1.08 3.96 3.21 -0.02 0.00 -1.21 -0.12 105.19 109.93 2k4a n GLY 82 Ca 0.01 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.98 2.74 -0.45 1.61 3.01 0.12 -4.92 119.74 120.86 2k4a s LYS 83 Ca 0.59 -0.83 -0.12 0.00 -1.01 0.00 0.00 55.97 54.60 2k4a s LYS 83 Cb 0.36 -2.15 0.08 0.00 -1.01 0.00 0.00 37.83 35.11 2k4a s LYS 83 CO -0.15 0.22 0.34 0.99 0.51 0.00 0.00 175.35 177.26 2k4a s THR 84 N 0.22 4.72 0.01 2.17 2.01 -1.26 0.16 115.64 123.67 2k4a s THR 84 Ca -0.14 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 2k4a s THR 84 Cb -0.16 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 2k4a s THR 84 CO 0.07 -0.59 1.45 -0.22 -0.69 0.00 0.00 174.62 174.64 2k4a s LEU 85 N 1.52 4.32 -0.19 4.42 0.20 0.15 -2.13 118.68 126.98 2k4a s LEU 85 Ca 0.04 2.18 -0.01 0.00 0.69 0.00 0.00 54.13 57.03 2k4a s LEU 85 Cb -0.24 -3.56 0.05 0.00 -0.43 0.00 0.00 46.19 42.01 2k4a s LEU 85 CO 0.04 -0.75 -0.02 0.68 -0.29 0.00 0.00 176.35 176.01 2k4a s VAL 86 N 2.43 1.00 -0.36 1.68 -7.23 -0.86 0.43 120.40 117.49 2k4a s VAL 86 Ca 0.66 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 2k4a s VAL 86 Cb -0.33 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.31 2k4a s VAL 86 CO 0.27 -0.05 0.19 -0.32 -0.31 0.00 0.00 175.10 174.88 2k4a s MET 87 N 1.65 2.92 -0.19 4.82 0.00 0.22 -0.40 119.30 128.32 2k4a s MET 87 Ca -0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 55.69 54.60 2k4a s MET 87 Cb -0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 34.83 30.94 2k4a s MET 87 CO -0.07 -0.64 0.03 0.00 0.00 0.00 0.00 175.02 174.34 2k4a s ALA 88 N 1.56 3.21 -0.36 4.11 0.00 -0.84 -0.60 121.76 128.84 2k4a s ALA 88 Ca 0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.96 2k4a s ALA 88 Cb -0.19 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 2k4a s ALA 88 CO 0.06 0.01 0.36 0.54 0.00 0.00 0.00 175.76 176.73 2k4a s VAL 89 N 0.71 5.17 -0.05 0.00 0.11 0.12 0.13 120.40 126.59 2k4a s VAL 89 Ca 0.02 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2k4a s VAL 89 Cb -0.14 -3.86 -0.03 0.00 -1.53 0.00 0.00 36.38 30.82 2k4a s VAL 89 CO 0.02 -0.16 0.01 -0.47 -3.33 0.00 0.00 175.10 171.17 2k4a s TYR 90 N 2.00 3.14 0.54 1.54 5.04 0.27 -2.62 117.35 127.26 2k4a s TYR 90 Ca 0.11 0.15 -0.09 0.00 -2.44 0.00 0.00 57.07 54.80 2k4a s TYR 90 Cb -0.17 -1.74 -0.04 0.00 0.35 0.00 0.00 41.96 40.36 2k4a s TYR 90 CO 0.12 0.47 0.92 0.34 -1.34 0.00 0.00 175.55 176.06 2k4a s ASP 91 N -1.22 6.30 -0.30 4.32 2.15 -0.98 0.10 116.67 127.04 2k4a s ASP 91 Ca 0.17 1.24 0.20 0.00 0.43 0.00 0.00 52.55 54.58 2k4a s ASP 91 Cb -0.11 -2.38 0.48 0.00 -0.30 0.00 0.00 42.92 40.60 2k4a s ASP 91 CO 0.06 -0.71 1.01 0.33 -0.17 0.00 0.00 175.17 175.69 2k4a n PHE 92 N -2.36 1.21 -0.45 -5.34 7.35 0.11 -4.58 117.46 113.39 2k4a n PHE 92 Ca 0.04 -2.57 0.40 0.00 -0.76 0.00 0.00 57.45 54.56 2k4a n PHE 92 Cb 0.54 -0.33 0.74 0.00 0.35 0.00 0.00 39.48 40.78 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 2.86 0.07 -1.07 -2.13 2.03 -1.90 -3.43 116.42 112.86 2k4a h ASP 93 Ca -0.11 0.03 -0.13 0.00 -0.73 0.00 0.00 57.03 56.08 2k4a h ASP 93 Cb 1.21 0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2k4a h ASP 93 CO 0.39 -0.02 -0.17 0.54 -1.03 0.00 0.00 179.24 178.95 2k4a n ARG 94 N -4.22 -0.69 0.00 4.15 3.00 -1.26 -4.86 116.66 112.78 2k4a n ARG 94 Ca 0.33 0.32 0.00 0.00 -0.01 0.00 0.00 57.85 58.48 2k4a n ARG 94 Cb 1.47 -4.15 0.00 0.00 0.00 0.00 0.00 32.46 29.78 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 -3.95 -0.58 -2.18 -1.55 7.35 -1.26 -5.14 117.46 110.14 2k4a n PHE 95 Ca -0.07 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.35 2k4a n PHE 95 Cb 0.56 0.37 0.13 0.00 0.35 0.00 0.00 39.48 40.89 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2k4a s SER 96 N -1.96 3.97 -1.09 -2.13 1.04 -1.26 -4.90 113.70 107.38 2k4a s SER 96 Ca 0.00 0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.36 2k4a s SER 96 Cb 0.00 -0.49 -0.13 0.00 0.10 0.00 0.00 66.02 65.50 2k4a s SER 96 CO 0.00 -2.15 1.95 0.29 0.98 0.00 0.00 173.24 174.31 2k4a n LYS 97 N -3.26 1.33 -1.32 4.02 4.76 -1.26 -4.87 118.16 117.55 2k4a n LYS 97 Ca 0.13 -2.24 -0.44 0.00 -2.87 0.00 0.00 58.31 52.88 2k4a n LYS 97 Cb 0.60 -3.63 -0.02 0.00 -1.84 0.00 0.00 35.03 30.15 2k4a n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k4a n HIS 98 N 14.19 -1.10 -4.43 2.13 -0.00 -1.26 -4.98 115.22 119.77 2k4a n HIS 98 Ca 0.45 0.81 -0.21 0.00 -0.00 0.00 0.00 57.72 58.76 2k4a n HIS 98 Cb 0.46 -1.83 -0.10 0.00 -0.00 0.00 0.00 29.99 28.52 2k4a n HIS 98 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k4a s ASP 99 N -0.97 2.89 -0.82 4.39 2.15 -1.26 -4.92 116.67 118.13 2k4a s ASP 99 Ca 0.60 -1.16 -0.24 0.00 0.43 0.00 0.00 52.55 52.19 2k4a s ASP 99 Cb -0.79 -0.19 0.06 0.00 -0.30 0.00 0.00 42.92 41.70 2k4a s ASP 99 CO 0.57 -0.28 1.23 -0.63 -0.17 0.00 0.00 175.17 175.89 2k4a s ILE 100 N -2.93 4.05 0.40 4.11 1.01 -1.26 -2.31 121.20 124.27 2k4a s ILE 100 Ca 0.29 -0.36 0.20 0.00 0.00 0.00 0.00 60.65 60.78 2k4a s ILE 100 Cb 0.02 -4.88 0.40 0.00 0.01 0.00 0.00 42.46 38.01 2k4a s ILE 100 CO 0.12 -1.74 1.73 0.16 0.00 0.00 0.00 174.94 175.21 2k4a h ILE 101 N 6.20 0.42 -1.66 2.92 -2.65 -1.80 -3.34 117.51 117.60 2k4a h ILE 101 Ca -0.09 -0.11 0.41 0.00 1.03 0.00 0.00 64.86 66.09 2k4a h ILE 101 Cb 1.04 0.06 -0.10 0.00 -2.05 0.00 0.00 36.82 35.77 2k4a h ILE 101 CO 1.27 0.06 1.01 -0.83 0.03 0.00 0.00 178.15 179.69 2k4a s GLY 102 N -3.99 -0.32 -0.29 0.16 0.00 -1.22 -3.46 107.32 98.20 2k4a s GLY 102 Ca -0.09 0.44 -0.16 0.00 0.00 0.00 0.00 44.72 44.91 2k4a s GLY 102 CO 0.80 4.62 0.87 -1.83 0.00 0.00 0.00 173.10 177.56 2k4a s GLU 103 N -2.01 0.50 0.20 2.90 -1.05 0.52 -0.70 118.70 119.06 2k4a s GLU 103 Ca 0.26 0.88 0.05 0.00 -0.15 0.00 0.00 54.97 56.01 2k4a s GLU 103 Cb 0.03 0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 2k4a s GLU 103 CO -0.04 -0.11 0.26 -0.59 0.95 0.00 0.00 175.26 175.73 2k4a s PHE 104 N 1.49 3.33 0.16 4.83 -0.12 0.23 -4.53 117.98 123.37 2k4a s PHE 104 Ca -0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 56.93 56.66 2k4a s PHE 104 Cb -0.04 -1.55 0.01 0.00 -0.63 0.00 0.00 43.02 40.81 2k4a s PHE 104 CO -0.17 0.49 0.38 -1.59 -0.05 0.00 0.00 175.22 174.28 2k4a s LYS 105 N -3.55 1.20 -0.28 1.99 0.00 -1.26 0.70 119.74 118.54 2k4a s LYS 105 Ca 0.33 -0.98 -0.18 0.00 0.00 0.00 0.00 55.97 55.14 2k4a s LYS 105 Cb -0.10 0.44 0.08 0.00 0.00 0.00 0.00 37.83 38.25 2k4a s LYS 105 CO 0.27 -0.47 0.70 0.54 0.00 0.00 0.00 175.35 176.40 2k4a s VAL 106 N -3.90 0.00 -0.32 1.79 0.11 0.17 -4.97 120.40 113.29 2k4a s VAL 106 Ca 0.11 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 2k4a s VAL 106 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2k4a s VAL 106 CO -0.04 0.00 1.29 -2.16 -3.33 0.00 0.00 175.10 170.86 2k4a s PRO 107 N 1.31 3.89 0.26 1.54 0.04 -1.26 0.35 135.00 141.14 2k4a s PRO 107 Ca -0.07 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 2k4a s PRO 107 Cb -0.05 -3.88 0.56 0.00 0.04 0.00 0.00 34.50 31.17 2k4a s PRO 107 CO -0.15 -1.15 1.69 0.52 0.04 0.00 0.00 177.00 177.95 2k4a h MET 108 N 9.30 0.30 -0.59 4.56 2.86 0.14 0.25 114.93 131.75 2k4a h MET 108 Ca -0.26 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.54 2k4a h MET 108 Cb 1.09 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 2k4a h MET 108 CO 1.04 0.20 0.54 -0.97 1.06 0.00 0.00 176.91 178.78 2k4a h ASN 109 N 0.31 0.00 0.05 1.22 -1.24 -0.70 1.07 115.58 116.29 2k4a h ASN 109 Ca 0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.48 2k4a h ASN 109 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.89 2k4a h ASN 109 CO -0.53 0.00 -0.06 1.07 -1.29 0.00 0.00 177.43 176.62 2k4a n THR 110 N -3.88 0.00 -3.63 -3.57 5.66 0.89 -4.81 114.28 104.95 2k4a n THR 110 Ca 0.12 -0.21 -0.38 0.00 -3.05 0.00 0.00 64.05 60.53 2k4a n THR 110 Cb 0.77 0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 69.87 2k4a n THR 110 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2k4a s VAL 111 N -2.12 5.14 -1.05 1.08 1.01 0.37 -5.02 120.40 119.80 2k4a s VAL 111 Ca 0.35 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 2k4a s VAL 111 Cb 0.21 -3.43 0.11 0.00 0.00 0.00 0.00 36.38 33.26 2k4a s VAL 111 CO 0.38 0.28 1.34 1.51 0.00 0.00 0.00 175.10 178.61 2k4a s ASP 112 N 1.66 6.71 -0.90 3.32 -4.77 -1.26 -4.90 116.67 116.53 2k4a s ASP 112 Ca 0.07 -2.14 -0.06 0.00 -3.30 0.00 0.00 52.55 47.13 2k4a s ASP 112 Cb -0.16 -2.46 -0.06 0.00 -1.09 0.00 0.00 42.92 39.15 2k4a s ASP 112 CO 0.09 -1.12 2.15 2.22 0.70 0.00 0.00 175.17 179.21 2k4a n PHE 113 N 7.18 1.34 -0.10 2.11 -1.74 -1.26 -4.54 117.46 120.45 2k4a n PHE 113 Ca 0.32 -1.95 -0.11 0.00 -0.56 0.00 0.00 57.45 55.14 2k4a n PHE 113 Cb 0.48 -1.67 -0.04 0.00 1.52 0.00 0.00 39.48 39.77 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 8.12 0.60 0.00 4.97 0.00 -2.03 -3.46 103.07 111.27 2k4a h GLY 114 Ca 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k4a h GLY 114 CO 1.41 0.44 0.00 1.42 0.00 0.00 0.00 176.54 179.80 2k4a n HIS 115 N -4.51 -2.44 -4.01 5.60 8.25 -1.26 -5.12 115.22 111.73 2k4a n HIS 115 Ca -0.03 0.50 -0.11 0.00 -0.26 0.00 0.00 57.72 57.82 2k4a n HIS 115 Cb 0.30 1.40 -0.12 0.00 1.12 0.00 0.00 29.99 32.69 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 -1.44 0.27 -0.75 1.59 -7.23 -1.26 -4.11 120.40 107.47 2k4a s VAL 116 Ca 0.00 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 2k4a s VAL 116 Cb 0.00 -0.35 0.18 0.00 0.56 0.00 0.00 36.38 36.77 2k4a s VAL 116 CO 0.00 -0.33 0.57 -0.89 -0.31 0.00 0.00 175.10 174.14 2k4a s THR 117 N -1.10 3.41 -0.25 5.32 2.01 0.69 -4.96 115.64 120.76 2k4a s THR 117 Ca -0.10 -3.99 -0.08 0.00 0.31 0.00 0.00 61.69 57.83 2k4a s THR 117 Cb -0.08 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2k4a s THR 117 CO -0.00 -1.01 0.09 -1.61 -0.69 0.00 0.00 174.62 171.40 2k4a s GLU 118 N -1.25 3.75 0.34 4.92 2.02 -1.26 0.18 118.70 127.40 2k4a s GLU 118 Ca 0.25 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 54.63 2k4a s GLU 118 Cb -0.08 -3.38 0.04 0.00 0.10 0.00 0.00 34.13 30.81 2k4a s GLU 118 CO -0.13 -0.14 0.76 -1.83 0.02 0.00 0.00 175.26 173.94 2k4a s GLU 119 N 1.51 2.04 -0.35 1.61 -1.05 -0.94 -5.00 118.70 116.52 2k4a s GLU 119 Ca 0.06 -1.24 -0.11 0.00 -0.15 0.00 0.00 54.97 53.52 2k4a s GLU 119 Cb -0.15 0.62 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 2k4a s GLU 119 CO 0.05 -0.94 0.21 -1.58 0.95 0.00 0.00 175.26 173.94 2k4a s TRP 120 N -3.03 3.22 -0.18 4.83 0.23 -1.26 -3.06 118.94 119.68 2k4a s TRP 120 Ca 0.14 -0.62 -0.11 0.00 -2.03 0.00 0.00 56.10 53.47 2k4a s TRP 120 Cb -0.05 -2.44 -0.05 0.00 0.03 0.00 0.00 33.47 30.96 2k4a s TRP 120 CO 0.09 -0.52 0.19 0.50 0.96 0.00 0.00 176.95 178.18 2k4a s ARG 121 N 1.63 4.19 0.58 4.98 6.06 -0.41 -4.98 118.95 130.99 2k4a s ARG 121 Ca 0.04 -0.09 -0.14 0.00 -2.50 0.00 0.00 55.73 53.04 2k4a s ARG 121 Cb -0.18 -3.41 -0.05 0.00 0.06 0.00 0.00 34.95 31.36 2k4a s ARG 121 CO 0.08 0.29 1.02 0.16 -2.50 0.00 0.00 175.30 174.35 2k4a s ASP 122 N 0.35 6.29 -0.12 -2.12 -4.77 -1.26 0.13 116.67 115.17 2k4a s ASP 122 Ca 0.12 1.53 0.00 0.00 -3.30 0.00 0.00 52.55 50.90 2k4a s ASP 122 Cb -0.12 -2.49 -0.02 0.00 -1.09 0.00 0.00 42.92 39.20 2k4a s ASP 122 CO 0.01 -0.82 -0.12 -0.76 0.70 0.00 0.00 175.17 174.18 2k4a s LEU 123 N -4.68 2.81 0.03 2.11 1.43 0.22 -4.64 118.68 115.96 2k4a s LEU 123 Ca 0.58 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 2k4a s LEU 123 Cb -0.11 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 2k4a s LEU 123 CO 0.43 0.20 -0.20 0.00 0.23 0.00 0.00 176.35 177.01 2k4a s GLN 124 N 0.13 1.42 0.56 1.70 -2.07 -1.26 0.42 119.66 120.56 2k4a s GLN 124 Ca -0.06 -0.88 -0.19 0.00 -1.82 0.00 0.00 55.36 52.41 2k4a s GLN 124 Cb -0.15 -1.49 -0.05 0.00 -1.09 0.00 0.00 33.01 30.23 2k4a s GLN 124 CO 0.04 0.39 1.13 -1.12 -1.32 0.00 0.00 175.29 174.41 2k4a s SER 125 N -1.02 5.61 -0.31 12.60 0.01 -1.24 -0.35 113.70 128.99 2k4a s SER 125 Ca 0.07 2.17 -0.00 0.00 1.31 0.00 0.00 55.95 59.50 2k4a s SER 125 Cb -0.08 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.70 2k4a s SER 125 CO 0.01 -1.30 0.27 0.00 0.41 0.00 0.00 173.24 172.64 2k4a s ALA 126 N -1.82 -0.11 0.04 1.44 0.00 -1.23 -4.68 121.76 115.40 2k4a s ALA 126 Ca 0.72 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2k4a s ALA 126 Cb -0.24 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.06 2k4a s ALA 126 CO 0.29 -1.84 1.35 -1.21 0.00 0.00 0.00 175.76 174.35 2k4a s GLU 127 N 1.97 4.32 0.00 0.00 2.02 -1.26 -4.65 118.70 121.10 2k4a s GLU 127 Ca 0.12 1.94 0.04 0.00 0.02 0.00 0.00 54.97 57.09 2k4a s GLU 127 Cb -0.16 -3.45 0.03 0.00 0.10 0.00 0.00 34.13 30.66 2k4a s GLU 127 CO -0.24 -0.48 0.63 1.63 0.02 0.00 0.00 175.26 176.82