#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 0.07 0.00 3.49 0.00 -1.26 -4.25 119.74 117.79 2k4a s LYS 2 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 55.97 56.29 2k4a s LYS 2 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 37.83 37.66 2k4a s LYS 2 CO 0.00 -0.15 0.35 -0.11 0.00 0.00 0.00 175.35 175.44 2k4a n LEU 3 N 4.09 0.70 0.00 2.77 7.94 0.34 -3.84 117.00 129.00 2k4a n LEU 3 Ca -0.25 -0.83 0.00 0.00 -1.11 0.00 0.00 56.01 53.81 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 0.19 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 2k4a n GLY 4 N 0.27 0.70 3.13 -3.96 0.00 -0.81 -3.86 105.19 100.66 2k4a n GLY 4 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 0.53 -0.03 1.61 1.02 -0.96 0.95 119.74 122.86 2k4a s LYS 5 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2k4a s LYS 5 Cb 0.00 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 2k4a s LYS 5 CO 0.00 -0.13 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.10 2k4a s LEU 6 N -1.40 1.42 -0.17 3.17 0.20 0.27 0.37 118.68 122.54 2k4a s LEU 6 Ca -0.14 -0.08 -0.09 0.00 0.69 0.00 0.00 54.13 54.50 2k4a s LEU 6 Cb -0.07 -0.32 -0.05 0.00 -0.43 0.00 0.00 46.19 45.32 2k4a s LEU 6 CO 0.02 -0.05 0.14 -1.10 -0.29 0.00 0.00 176.35 175.08 2k4a s GLN 7 N 0.72 3.94 0.10 1.98 -1.52 -0.30 -0.63 119.66 123.95 2k4a s GLN 7 Ca -0.08 -0.17 -0.08 0.00 -1.95 0.00 0.00 55.36 53.08 2k4a s GLN 7 Cb -0.12 -3.34 -0.01 0.00 -0.22 0.00 0.00 33.01 29.33 2k4a s GLN 7 CO -0.01 0.46 0.18 1.52 -0.25 0.00 0.00 175.29 177.20 2k4a s TYR 8 N -0.12 0.27 -0.16 0.91 -0.85 -1.19 0.12 117.35 116.33 2k4a s TYR 8 Ca 0.11 -0.70 -0.04 0.00 -0.52 0.00 0.00 57.07 55.92 2k4a s TYR 8 Cb -0.12 -0.11 0.06 0.00 0.38 0.00 0.00 41.96 42.18 2k4a s TYR 8 CO 0.00 -0.56 0.12 -1.54 -1.52 0.00 0.00 175.55 172.05 2k4a s SER 9 N -2.90 1.97 0.07 -0.18 1.04 0.18 -2.78 113.70 111.09 2k4a s SER 9 Ca 0.09 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.17 2k4a s SER 9 Cb 0.05 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2k4a s SER 9 CO -0.08 -0.33 -0.21 -0.76 0.98 0.00 0.00 173.24 172.84 2k4a s LEU 10 N 2.19 2.50 0.16 2.42 1.43 0.31 -2.53 118.68 125.15 2k4a s LEU 10 Ca 0.03 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2k4a s LEU 10 Cb -0.15 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2k4a s LEU 10 CO -0.09 0.23 -0.07 1.51 0.23 0.00 0.00 176.35 178.16 2k4a s ASP 11 N -1.62 1.67 -0.15 2.29 1.47 -0.51 0.20 116.67 120.01 2k4a s ASP 11 Ca 0.15 -1.06 -0.06 0.00 1.18 0.00 0.00 52.55 52.76 2k4a s ASP 11 Cb -0.10 0.02 -0.04 0.00 -0.34 0.00 0.00 42.92 42.45 2k4a s ASP 11 CO 0.06 -0.40 0.06 -0.72 0.68 0.00 0.00 175.17 174.86 2k4a s TYR 12 N -3.41 3.30 -0.25 2.11 1.13 -1.26 0.16 117.35 119.14 2k4a s TYR 12 Ca 0.19 0.18 -0.13 0.00 -1.41 0.00 0.00 57.07 55.90 2k4a s TYR 12 Cb 0.04 -2.00 -0.04 0.00 -1.10 0.00 0.00 41.96 38.86 2k4a s TYR 12 CO 0.01 0.32 0.27 0.34 -2.51 0.00 0.00 175.55 173.99 2k4a s ASP 13 N -0.13 6.21 -0.02 -0.18 -1.08 0.34 -4.91 116.67 116.90 2k4a s ASP 13 Ca 0.07 0.23 0.16 0.00 -0.52 0.00 0.00 52.55 52.49 2k4a s ASP 13 Cb -0.12 -2.16 0.49 0.00 -1.46 0.00 0.00 42.92 39.67 2k4a s ASP 13 CO 0.01 -0.05 1.41 2.22 0.52 0.00 0.00 175.17 179.28 2k4a n PHE 14 N 4.73 0.79 -0.11 -5.34 1.16 -1.26 -1.98 117.46 115.45 2k4a n PHE 14 Ca -0.12 -0.53 -0.20 0.00 -1.87 0.00 0.00 57.45 54.74 2k4a n PHE 14 Cb 0.51 -0.05 -0.12 0.00 -1.61 0.00 0.00 39.48 38.21 2k4a n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k4a n GLN 15 N 0.98 0.66 0.00 3.97 10.64 -1.26 -4.55 117.38 127.82 2k4a n GLN 15 Ca 0.19 0.19 0.03 0.00 -1.83 0.00 0.00 57.00 55.57 2k4a n GLN 15 Cb 0.57 -1.56 -0.00 0.00 -0.86 0.00 0.00 30.24 28.39 2k4a n GLN 15 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2k4a n ASN 16 N -3.41 0.83 -2.13 2.61 0.23 -1.26 -5.06 115.26 107.06 2k4a n ASN 16 Ca -0.44 -0.92 -0.04 0.00 -0.53 0.00 0.00 54.58 52.66 2k4a n ASN 16 Cb 0.99 0.51 0.00 0.00 -2.08 0.00 0.00 39.78 39.20 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 -0.42 -4.82 -3.60 0.53 3.02 -1.16 -4.89 115.26 103.92 2k4a n ASN 17 Ca 0.02 0.27 -0.07 0.00 -0.03 0.00 0.00 54.58 54.77 2k4a n ASN 17 Cb 0.11 -3.08 -0.02 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.72 1.09 -0.19 3.52 1.03 -0.84 -2.84 119.66 119.71 2k4a s GLN 18 Ca 0.11 -0.50 -0.04 0.00 0.04 0.00 0.00 55.36 54.97 2k4a s GLN 18 Cb -0.03 0.44 -0.02 0.00 0.03 0.00 0.00 33.01 33.42 2k4a s GLN 18 CO 0.36 -0.49 -0.03 -0.51 -2.54 0.00 0.00 175.29 172.09 2k4a s LEU 19 N -2.71 3.13 -1.12 2.60 1.43 -0.05 0.13 118.68 122.09 2k4a s LEU 19 Ca 0.07 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 2k4a s LEU 19 Cb -0.01 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.49 2k4a s LEU 19 CO -0.05 0.08 1.53 -0.22 0.23 0.00 0.00 176.35 177.92 2k4a s LEU 20 N 0.90 3.79 -0.46 1.79 1.98 0.43 -0.80 118.68 126.30 2k4a s LEU 20 Ca -0.00 -1.90 -0.26 0.00 -2.89 0.00 0.00 54.13 49.08 2k4a s LEU 20 Cb -0.14 -2.55 0.03 0.00 0.66 0.00 0.00 46.19 44.18 2k4a s LEU 20 CO 0.01 -1.33 0.95 -0.69 -1.89 0.00 0.00 176.35 173.41 2k4a s VAL 21 N 4.42 4.44 -0.29 1.68 1.01 -0.29 -1.42 120.40 129.96 2k4a s VAL 21 Ca 0.48 0.81 0.01 0.00 0.00 0.00 0.00 61.98 63.27 2k4a s VAL 21 Cb 0.01 -4.46 0.06 0.00 0.00 0.00 0.00 36.38 31.99 2k4a s VAL 21 CO -0.03 -0.86 -0.04 -0.83 0.00 0.00 0.00 175.10 173.33 2k4a s GLY 22 N 2.29 1.73 -0.23 4.51 0.00 -1.05 0.79 107.32 115.35 2k4a s GLY 22 Ca 0.38 -1.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.11 2k4a s GLY 22 CO 0.27 0.68 0.34 -0.26 0.00 0.00 0.00 173.10 174.13 2k4a s ILE 23 N 1.15 5.23 -0.01 0.90 -0.00 -1.17 0.48 121.20 127.78 2k4a s ILE 23 Ca -0.05 0.54 -0.18 0.00 -0.00 0.00 0.00 60.65 60.96 2k4a s ILE 23 Cb -0.20 -3.67 -0.10 0.00 -0.00 0.00 0.00 42.46 38.50 2k4a s ILE 23 CO -0.04 0.24 0.84 0.40 -0.00 0.00 0.00 174.94 176.39 2k4a h ILE 24 N 5.15 0.00 -1.74 8.37 2.04 0.60 -2.92 117.51 129.00 2k4a h ILE 24 Ca -0.35 -0.34 0.21 0.00 1.00 0.00 0.00 64.86 65.38 2k4a h ILE 24 Cb 1.16 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.07 2k4a h ILE 24 CO 0.68 0.00 0.71 0.00 0.00 0.00 0.00 178.15 179.53 2k4a s GLN 25 N -3.72 0.48 0.13 2.37 -2.07 -1.16 -2.10 119.66 113.59 2k4a s GLN 25 Ca -0.09 -0.18 0.07 0.00 -1.82 0.00 0.00 55.36 53.33 2k4a s GLN 25 Cb 0.01 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 2k4a s GLN 25 CO 0.28 -0.21 -0.03 0.00 -1.32 0.00 0.00 175.29 174.00 2k4a s ALA 26 N -2.65 3.15 -0.03 2.60 0.00 -1.18 -1.15 121.76 122.50 2k4a s ALA 26 Ca 0.08 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2k4a s ALA 26 Cb -0.01 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2k4a s ALA 26 CO -0.06 0.59 -0.04 0.00 0.00 0.00 0.00 175.76 176.25 2k4a s ALA 27 N -1.46 0.58 -0.35 0.00 0.00 0.16 -3.23 121.76 117.46 2k4a s ALA 27 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 2k4a s ALA 27 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2k4a s ALA 27 CO 0.17 0.03 0.30 0.39 0.00 0.00 0.00 175.76 176.65 2k4a n GLU 28 N 3.73 -2.01 -2.36 0.00 1.02 -0.29 -2.26 120.64 118.47 2k4a n GLU 28 Ca -0.22 0.22 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2k4a n GLU 28 Cb 0.53 -3.38 -0.03 0.00 -0.02 0.00 0.00 31.44 28.53 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 -2.77 4.32 0.49 -4.62 1.43 -0.60 -4.16 118.68 112.78 2k4a s LEU 29 Ca 0.12 2.32 -0.22 0.00 -1.03 0.00 0.00 54.13 55.32 2k4a s LEU 29 Cb -0.05 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 2k4a s LEU 29 CO 0.19 -0.47 1.02 -2.65 0.23 0.00 0.00 176.35 174.66 2k4a n PRO 30 N 0.47 1.25 -2.17 1.29 -0.02 -1.26 -4.78 135.00 129.78 2k4a n PRO 30 Ca 0.02 0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 2k4a n PRO 30 Cb 0.46 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.37 3.15 0.09 3.55 0.00 -1.26 -4.67 121.76 121.25 2k4a s ALA 31 Ca 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2k4a s ALA 31 Cb -0.49 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2k4a s ALA 31 CO 0.53 -0.49 0.00 -0.11 0.00 0.00 0.00 175.76 175.69 2k4a n LEU 32 N -2.32 -0.53 -4.61 0.00 -0.00 0.33 -4.91 117.00 104.97 2k4a n LEU 32 Ca 0.05 0.17 -0.38 0.00 -0.00 0.00 0.00 56.01 55.85 2k4a n LEU 32 Cb 0.54 0.70 0.05 0.00 -0.00 0.00 0.00 43.42 44.72 2k4a n LEU 32 CO 0.54 -0.44 0.52 -0.67 -0.00 0.00 0.00 177.39 177.34 2k4a n ASP 33 N -2.73 0.65 -3.51 1.96 2.03 0.24 -4.77 116.55 110.43 2k4a n ASP 33 Ca 0.00 0.79 -0.39 0.00 0.52 0.00 0.00 54.79 55.71 2k4a n ASP 33 Cb 0.00 -1.38 -0.06 0.00 -0.72 0.00 0.00 41.12 38.96 2k4a n ASP 33 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2k4a n MET 34 N -1.04 1.17 0.00 -0.67 0.00 -1.26 -3.40 117.12 111.92 2k4a n MET 34 Ca 0.14 -1.55 0.00 0.00 -0.00 0.00 0.00 57.70 56.29 2k4a n MET 34 Cb 0.48 -2.72 0.00 0.00 0.00 0.00 0.00 33.22 30.97 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 4.51 0.00 3.34 -5.12 0.00 -1.26 -4.96 105.19 101.70 2k4a n GLY 35 Ca 0.46 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N 0.00 -0.48 0.76 -0.02 0.00 -1.22 -4.89 105.19 99.35 2k4a n GLY 36 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.80 0.00 -3.81 2.61 -2.24 -1.24 -4.85 114.28 100.95 2k4a n THR 37 Ca -0.01 -0.41 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 2k4a n THR 37 Cb 0.53 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2k4a n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k4a s SER 38 N -1.49 -0.10 -0.73 3.42 1.04 -1.26 0.12 113.70 114.71 2k4a s SER 38 Ca 0.07 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.96 2k4a s SER 38 Cb -0.00 0.53 0.31 0.00 0.10 0.00 0.00 66.02 66.96 2k4a s SER 38 CO 0.05 -1.01 1.13 0.47 0.98 0.00 0.00 173.24 174.86 2k4a n ASP 39 N -0.82 5.08 -4.66 7.02 9.92 -1.26 -0.26 116.55 131.56 2k4a n ASP 39 Ca -0.05 -3.61 -0.43 0.00 -0.53 0.00 0.00 54.79 50.17 2k4a n ASP 39 Cb 0.60 -0.77 -0.02 0.00 -0.64 0.00 0.00 41.12 40.29 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 -3.36 4.24 0.01 -0.24 0.04 -1.24 -0.08 135.00 134.35 2k4a s PRO 40 Ca 0.43 1.73 0.06 0.00 0.04 0.00 0.00 61.00 63.27 2k4a s PRO 40 Cb 0.21 -3.77 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 2k4a s PRO 40 CO -0.09 -0.70 -0.19 1.52 0.04 0.00 0.00 177.00 177.58 2k4a s TYR 41 N 3.44 1.71 -0.05 0.56 -0.85 0.29 -4.27 117.35 118.18 2k4a s TYR 41 Ca 0.57 -0.34 -0.19 0.00 -0.52 0.00 0.00 57.07 56.60 2k4a s TYR 41 Cb -0.24 -1.07 -0.05 0.00 0.38 0.00 0.00 41.96 40.98 2k4a s TYR 41 CO 0.17 0.01 0.51 0.14 -1.52 0.00 0.00 175.55 174.87 2k4a s VAL 42 N -0.58 5.05 -0.22 -3.49 -7.23 -1.26 0.18 120.40 112.84 2k4a s VAL 42 Ca 0.07 1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 61.26 2k4a s VAL 42 Cb -0.08 -3.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.00 2k4a s VAL 42 CO 0.00 0.41 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.58 2k4a s LYS 43 N -0.00 3.41 -0.12 4.82 -2.85 0.47 -1.66 119.74 123.82 2k4a s LYS 43 Ca 0.28 -0.61 -0.27 0.00 -1.00 0.00 0.00 55.97 54.37 2k4a s LYS 43 Cb -0.17 -3.04 -0.02 0.00 -2.06 0.00 0.00 37.83 32.55 2k4a s LYS 43 CO 0.14 -0.18 0.91 0.14 0.10 0.00 0.00 175.35 176.46 2k4a s VAL 44 N 1.45 4.85 0.18 1.79 -7.23 -0.40 -2.11 120.40 118.93 2k4a s VAL 44 Ca 0.05 1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 62.04 2k4a s VAL 44 Cb -0.14 -4.22 -0.03 0.00 0.56 0.00 0.00 36.38 32.54 2k4a s VAL 44 CO -0.02 0.05 0.15 -0.36 -0.31 0.00 0.00 175.10 174.60 2k4a s PHE 45 N 1.88 0.93 0.24 2.82 0.08 -0.26 -3.58 117.98 120.08 2k4a s PHE 45 Ca 0.44 -1.22 0.01 0.00 0.12 0.00 0.00 56.93 56.27 2k4a s PHE 45 Cb -0.18 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 2k4a s PHE 45 CO 0.17 -0.63 0.13 -0.51 -0.10 0.00 0.00 175.22 174.27 2k4a s LEU 46 N -3.09 1.40 0.00 -0.37 2.01 -1.26 -1.21 118.68 116.16 2k4a s LEU 46 Ca 0.31 -1.43 -0.05 0.00 0.01 0.00 0.00 54.13 52.97 2k4a s LEU 46 Cb 0.06 0.25 0.07 0.00 0.01 0.00 0.00 46.19 46.58 2k4a s LEU 46 CO 0.07 -0.82 0.17 0.00 1.01 0.00 0.00 176.35 176.77 2k4a n LEU 47 N -0.39 0.00 -0.16 1.79 -0.00 -0.79 -4.25 117.00 113.20 2k4a n LEU 47 Ca 0.02 -0.17 0.15 0.00 -0.00 0.00 0.00 56.01 56.00 2k4a n LEU 47 Cb 0.66 -0.19 0.27 0.00 -0.00 0.00 0.00 43.42 44.17 2k4a n LEU 47 CO 0.35 -1.71 0.50 -2.65 -0.00 0.00 0.00 177.39 173.88 2k4a n PRO 48 N -2.66 -0.03 -0.35 1.47 -0.01 -1.26 0.44 135.00 132.59 2k4a n PRO 48 Ca 0.03 0.68 -0.01 0.00 -0.01 0.00 0.00 63.50 64.18 2k4a n PRO 48 Cb 0.11 -1.20 0.03 0.00 -0.01 0.00 0.00 33.50 32.43 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 -4.15 -0.61 -2.30 2.55 2.03 -1.26 -4.73 116.55 108.07 2k4a n ASP 49 Ca 0.18 1.59 -0.04 0.00 0.52 0.00 0.00 54.79 57.04 2k4a n ASP 49 Cb 0.60 -0.36 -0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 -5.33 -2.56 -1.86 -0.67 4.76 0.17 -4.80 118.16 107.88 2k4a n LYS 50 Ca 0.09 0.18 -0.38 0.00 -2.87 0.00 0.00 58.31 55.33 2k4a n LYS 50 Cb 0.36 -4.65 -0.02 0.00 -1.84 0.00 0.00 35.03 28.89 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 -2.41 4.19 0.00 1.97 5.02 -1.26 -4.81 118.16 120.86 2k4a n LYS 51 Ca -0.04 -3.18 0.00 0.00 -2.02 0.00 0.00 58.31 53.07 2k4a n LYS 51 Cb 0.48 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 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 1.74 0.00 -3.24 1.97 2.85 -1.26 -4.12 118.16 116.11 2k4a n LYS 52 Ca 0.61 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.90 2k4a n LYS 52 Cb 0.30 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.66 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 -1.51 0.55 -0.06 -1.58 2.20 -1.26 -4.70 119.74 113.37 2k4a s LYS 53 Ca 0.00 1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 56.61 2k4a s LYS 53 Cb 0.00 0.51 0.04 0.00 -1.51 0.00 0.00 37.83 36.86 2k4a s LYS 53 CO 0.00 -0.57 0.12 0.12 -0.36 0.00 0.00 175.35 174.66 2k4a s PHE 54 N 2.83 -0.11 -0.30 4.03 2.19 -1.23 -5.04 117.98 120.35 2k4a s PHE 54 Ca 0.17 0.43 -0.10 0.00 0.33 0.00 0.00 56.93 57.77 2k4a s PHE 54 Cb -0.15 -0.21 -0.02 0.00 -1.31 0.00 0.00 43.02 41.33 2k4a s PHE 54 CO -0.20 -0.19 0.15 -2.00 1.83 0.00 0.00 175.22 174.81 2k4a s GLU 55 N 1.63 3.47 0.91 10.12 2.12 -1.26 -1.27 118.70 134.41 2k4a s GLU 55 Ca -0.04 -0.62 -0.11 0.00 0.36 0.00 0.00 54.97 54.56 2k4a s GLU 55 Cb -0.12 -3.55 0.14 0.00 0.26 0.00 0.00 34.13 30.86 2k4a s GLU 55 CO -0.05 -0.35 1.10 0.95 -0.54 0.00 0.00 175.26 176.37 2k4a s THR 56 N 1.64 2.56 0.38 -1.70 -4.23 -0.66 -4.94 115.64 108.68 2k4a s THR 56 Ca 0.05 0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.47 2k4a s THR 56 Cb -0.17 -2.46 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 2k4a s THR 56 CO 0.07 -0.24 1.44 1.17 -0.54 0.00 0.00 174.62 176.52 2k4a n LYS 57 N -4.05 2.52 -1.92 3.99 4.81 -1.26 -4.75 118.16 117.51 2k4a n LYS 57 Ca 0.08 0.88 -0.37 0.00 -0.87 0.00 0.00 58.31 58.04 2k4a n LYS 57 Cb 0.54 -2.59 0.04 0.00 0.02 0.00 0.00 35.03 33.03 2k4a n LYS 57 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2k4a s VAL 58 N -1.12 2.39 -0.53 3.15 0.11 -1.26 -4.78 120.40 118.35 2k4a s VAL 58 Ca 0.54 0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.90 2k4a s VAL 58 Cb -0.49 -3.13 0.16 0.00 -1.53 0.00 0.00 36.38 31.39 2k4a s VAL 58 CO 0.63 -0.03 0.36 -1.00 -3.33 0.00 0.00 175.10 171.73 2k4a s HIS 59 N -1.44 2.41 0.12 1.54 0.09 -1.26 -5.04 115.29 111.71 2k4a s HIS 59 Ca 0.74 -2.78 -0.32 0.00 -0.00 0.00 0.00 55.06 52.70 2k4a s HIS 59 Cb -0.35 -2.00 -0.11 0.00 -0.00 0.00 0.00 32.58 30.11 2k4a s HIS 59 CO 0.40 -0.71 1.79 2.89 -0.00 0.00 0.00 174.74 179.12 2k4a n ARG 60 N 2.77 2.65 -3.52 1.40 -4.01 -1.26 -3.72 116.66 110.97 2k4a n ARG 60 Ca 0.18 0.96 -0.32 0.00 -1.04 0.00 0.00 57.85 57.63 2k4a n ARG 60 Cb 0.38 -2.83 0.03 0.00 -3.04 0.00 0.00 32.46 26.99 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 5.22 -1.85 -3.55 2.89 4.76 -0.79 -4.93 118.16 119.91 2k4a n LYS 61 Ca 0.18 1.31 -0.00 0.00 -2.87 0.00 0.00 58.31 56.93 2k4a n LYS 61 Cb 0.35 -2.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.01 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 -2.00 -0.77 -1.02 -0.18 -1.32 0.64 -4.85 115.64 106.14 2k4a s THR 62 Ca 0.26 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.01 2k4a s THR 62 Cb -0.03 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.03 2k4a s THR 62 CO 0.87 0.00 1.55 0.18 -2.21 0.00 0.00 174.62 175.02 2k4a n LEU 63 N 5.21 0.38 -3.40 9.08 4.77 -1.26 -4.35 117.00 127.43 2k4a n LEU 63 Ca -0.11 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 2k4a n LEU 63 Cb 0.51 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2k4a n LEU 63 CO -0.04 0.09 -0.21 -3.20 -1.33 0.00 0.00 177.39 172.71 2k4a n ASN 64 N -1.48 0.93 -4.61 -1.43 5.15 -1.26 -1.14 115.26 111.41 2k4a n ASN 64 Ca 0.06 -2.78 -0.42 0.00 -0.60 0.00 0.00 54.58 50.84 2k4a n ASN 64 Cb 0.34 -0.63 -0.04 0.00 -0.53 0.00 0.00 39.78 38.91 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N -1.00 3.94 -0.03 1.20 0.04 -1.20 -4.94 135.00 133.01 2k4a s PRO 65 Ca 0.34 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 2k4a s PRO 65 Cb 0.09 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 2k4a s PRO 65 CO -0.14 -0.80 0.07 0.14 0.04 0.00 0.00 177.00 176.31 2k4a s VAL 66 N 3.23 4.69 0.00 -0.36 -7.23 -1.26 -3.12 120.40 116.35 2k4a s VAL 66 Ca 0.36 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2k4a s VAL 66 Cb -0.13 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2k4a s VAL 66 CO 0.15 0.43 0.00 0.33 -0.31 0.00 0.00 175.10 175.70 2k4a n PHE 67 N 1.47 -0.52 -1.91 2.82 -0.00 -1.11 -5.04 117.46 113.17 2k4a n PHE 67 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.29 2k4a n PHE 67 Cb 0.53 0.10 0.00 0.00 -0.00 0.00 0.00 39.48 40.12 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 -1.54 -3.92 -4.90 -2.13 5.15 -0.89 -5.05 115.26 101.97 2k4a n ASN 68 Ca 0.00 0.30 -0.32 0.00 -0.60 0.00 0.00 54.58 53.96 2k4a n ASN 68 Cb 0.00 -2.40 -0.05 0.00 -0.53 0.00 0.00 39.78 36.80 2k4a n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k4a s GLU 69 N -1.06 3.53 -0.45 1.20 2.56 -1.11 -4.94 118.70 118.43 2k4a s GLU 69 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 54.97 54.62 2k4a s GLU 69 Cb -0.01 -2.99 0.06 0.00 2.00 0.00 0.00 34.13 33.18 2k4a s GLU 69 CO 0.25 0.58 0.36 -1.14 -0.56 0.00 0.00 175.26 174.75 2k4a s GLN 70 N -2.34 2.97 -0.47 4.30 -0.44 -1.26 -3.02 119.66 119.39 2k4a s GLN 70 Ca 0.35 -1.24 -0.20 0.00 -2.50 0.00 0.00 55.36 51.76 2k4a s GLN 70 Cb -0.13 -4.07 0.04 0.00 -1.64 0.00 0.00 33.01 27.21 2k4a s GLN 70 CO 0.23 -0.93 0.63 0.12 0.50 0.00 0.00 175.29 175.84 2k4a s PHE 71 N 1.65 3.05 -0.86 1.67 5.36 0.24 -4.97 117.98 124.12 2k4a s PHE 71 Ca 0.04 -0.30 -0.25 0.00 -0.96 0.00 0.00 56.93 55.47 2k4a s PHE 71 Cb -0.23 -3.43 0.04 0.00 -0.34 0.00 0.00 43.02 39.07 2k4a s PHE 71 CO 0.08 -0.95 1.35 0.99 -1.46 0.00 0.00 175.22 175.22 2k4a s THR 72 N 2.74 3.82 -1.06 0.12 2.01 -1.26 -1.14 115.64 120.87 2k4a s THR 72 Ca 0.19 -0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 2k4a s THR 72 Cb -0.16 -4.98 -0.01 0.00 0.01 0.00 0.00 72.50 67.35 2k4a s THR 72 CO 0.15 -1.89 1.79 0.12 -0.69 0.00 0.00 174.62 174.10 2k4a s PHE 73 N 5.38 2.17 -0.52 4.92 5.36 0.02 -4.89 117.98 130.42 2k4a s PHE 73 Ca 0.40 -0.12 -0.27 0.00 -0.96 0.00 0.00 56.93 55.98 2k4a s PHE 73 Cb -0.05 -4.31 -0.02 0.00 -0.34 0.00 0.00 43.02 38.31 2k4a s PHE 73 CO 0.04 -1.68 1.87 0.15 -1.46 0.00 0.00 175.22 174.14 2k4a s LYS 74 N 5.96 2.81 0.00 10.12 -0.14 -1.26 -0.87 119.74 136.36 2k4a s LYS 74 Ca 0.61 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.13 2k4a s LYS 74 Cb -0.02 -4.34 0.00 0.00 -1.68 0.00 0.00 37.83 31.79 2k4a s LYS 74 CO 0.02 -2.49 0.00 0.28 -0.76 0.00 0.00 175.35 172.39 2k4a n VAL 75 N 7.32 0.00 -1.69 3.17 0.31 -1.13 -4.69 118.33 121.62 2k4a n VAL 75 Ca 0.22 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 64.11 2k4a n VAL 75 Cb 0.51 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.00 2.24 -0.26 5.55 -0.02 -1.24 -3.55 135.00 137.72 2k4a n PRO 76 Ca 0.00 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.35 2k4a n PRO 76 Cb 0.00 -2.49 0.20 0.00 -0.02 0.00 0.00 33.50 31.20 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 4.29 0.25 0.00 6.00 -0.00 -1.88 1.11 116.97 126.74 2k4a h TYR 77 Ca -0.46 0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 2k4a h TYR 77 Cb 1.26 0.01 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 2k4a h TYR 77 CO 0.57 -0.13 0.00 0.77 -0.00 0.00 0.00 178.16 179.36 2k4a h SER 78 N 0.24 0.00 -0.17 0.10 0.02 -2.01 -0.84 113.55 110.89 2k4a h SER 78 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2k4a h SER 78 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2k4a h SER 78 CO -0.57 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 176.33 2k4a n GLU 79 N -2.92 1.99 0.08 3.45 2.13 0.37 -4.38 120.64 121.37 2k4a n GLU 79 Ca -0.02 -1.87 -0.03 0.00 0.66 0.00 0.00 57.16 55.90 2k4a n GLU 79 Cb 0.12 -1.40 -0.06 0.00 0.27 0.00 0.00 31.44 30.36 2k4a n GLU 79 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2k4a h LEU 80 N 3.79 0.00 -0.87 4.31 -0.00 0.17 -3.38 115.31 119.33 2k4a h LEU 80 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 2k4a h LEU 80 Cb 0.84 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.40 2k4a h LEU 80 CO 0.00 0.78 -0.52 1.23 -0.00 0.00 0.00 178.44 179.93 2k4a h GLY 81 N 3.27 -1.07 -3.19 0.17 0.00 -1.76 0.12 103.07 100.60 2k4a h GLY 81 Ca -0.03 0.84 -0.18 0.00 0.00 0.00 0.00 47.33 47.95 2k4a h GLY 81 CO 0.10 -0.08 0.24 0.61 0.00 0.00 0.00 176.54 177.40 2k4a n GLY 82 N -1.22 3.35 3.28 4.60 0.00 -1.26 -1.29 105.19 112.66 2k4a n GLY 82 Ca 0.02 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.05 2.65 -0.46 1.61 3.01 0.41 -4.97 119.74 120.93 2k4a s LYS 83 Ca 0.18 -0.88 -0.09 0.00 -1.01 0.00 0.00 55.97 54.17 2k4a s LYS 83 Cb 0.14 -2.22 0.11 0.00 -1.01 0.00 0.00 37.83 34.86 2k4a s LYS 83 CO 0.00 0.36 0.32 0.99 0.51 0.00 0.00 175.35 177.54 2k4a s THR 84 N -0.11 4.18 0.07 2.17 2.01 -1.26 -0.90 115.64 121.79 2k4a s THR 84 Ca -0.05 -1.72 -0.31 0.00 0.31 0.00 0.00 61.69 59.92 2k4a s THR 84 Cb -0.14 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 2k4a s THR 84 CO 0.04 -0.72 1.33 -0.22 -0.69 0.00 0.00 174.62 174.36 2k4a s LEU 85 N 1.37 4.35 -0.12 4.42 0.20 -0.39 -1.89 118.68 126.63 2k4a s LEU 85 Ca 0.05 2.17 0.00 0.00 0.69 0.00 0.00 54.13 57.04 2k4a s LEU 85 Cb -0.25 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 41.95 2k4a s LEU 85 CO -0.00 -0.61 -0.10 0.68 -0.29 0.00 0.00 176.35 176.02 2k4a s VAL 86 N 1.43 1.21 -0.31 1.68 -7.23 -0.35 0.02 120.40 116.86 2k4a s VAL 86 Ca 0.62 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 60.34 2k4a s VAL 86 Cb -0.33 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 35.48 2k4a s VAL 86 CO 0.29 0.40 0.03 -0.32 -0.31 0.00 0.00 175.10 175.18 2k4a s MET 87 N 1.47 2.45 -0.06 4.82 0.00 0.27 -1.10 119.30 127.15 2k4a s MET 87 Ca 0.02 -1.27 0.01 0.00 0.00 0.00 0.00 55.69 54.45 2k4a s MET 87 Cb -0.13 -3.25 -0.03 0.00 0.00 0.00 0.00 34.83 31.42 2k4a s MET 87 CO -0.07 -0.64 -0.07 0.00 0.00 0.00 0.00 175.02 174.24 2k4a s ALA 88 N 1.28 3.00 -0.24 4.11 0.00 -0.90 0.81 121.76 129.82 2k4a s ALA 88 Ca -0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2k4a s ALA 88 Cb -0.20 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2k4a s ALA 88 CO -0.00 0.58 0.13 0.54 0.00 0.00 0.00 175.76 177.00 2k4a s VAL 89 N -0.83 5.06 -0.07 0.00 0.11 0.14 0.18 120.40 124.98 2k4a s VAL 89 Ca 0.13 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 2k4a s VAL 89 Cb -0.11 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 2k4a s VAL 89 CO 0.02 0.35 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.57 2k4a s TYR 90 N 1.11 2.84 0.48 1.54 5.04 0.48 -3.09 117.35 125.74 2k4a s TYR 90 Ca 0.06 -0.15 -0.12 0.00 -2.44 0.00 0.00 57.07 54.42 2k4a s TYR 90 Cb -0.14 -1.71 -0.06 0.00 0.35 0.00 0.00 41.96 40.39 2k4a s TYR 90 CO 0.04 0.18 0.88 0.34 -1.34 0.00 0.00 175.55 175.66 2k4a s ASP 91 N -0.55 6.50 -0.35 4.32 2.15 0.45 0.11 116.67 129.30 2k4a s ASP 91 Ca 0.08 1.31 0.14 0.00 0.43 0.00 0.00 52.55 54.51 2k4a s ASP 91 Cb -0.12 -2.40 0.45 0.00 -0.30 0.00 0.00 42.92 40.56 2k4a s ASP 91 CO 0.02 -0.54 1.03 0.33 -0.17 0.00 0.00 175.17 175.84 2k4a n PHE 92 N -1.66 1.92 -0.32 -5.34 7.35 0.88 -4.31 117.46 115.99 2k4a n PHE 92 Ca 0.04 -2.77 0.20 0.00 -0.76 0.00 0.00 57.45 54.15 2k4a n PHE 92 Cb 0.54 -0.27 0.40 0.00 0.35 0.00 0.00 39.48 40.50 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 2.78 0.16 -0.62 -2.13 2.03 -1.92 -3.43 116.42 113.30 2k4a h ASP 93 Ca 0.04 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2k4a h ASP 93 Cb 1.14 0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 2k4a h ASP 93 CO 0.58 -0.22 0.00 0.54 -1.03 0.00 0.00 179.24 179.11 2k4a n ARG 94 N -5.21 0.00 0.10 4.15 1.74 -1.26 -4.89 116.66 111.29 2k4a n ARG 94 Ca 0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2k4a n ARG 94 Cb 0.89 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 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 -2.81 -2.98 -2.56 -1.55 7.35 -1.26 -5.15 117.46 108.50 2k4a n PHE 95 Ca 0.00 0.64 -0.02 0.00 -0.76 0.00 0.00 57.45 57.32 2k4a n PHE 95 Cb 0.46 1.79 0.01 0.00 0.35 0.00 0.00 39.48 42.10 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 -2.96 0.14 -4.56 -2.13 7.64 -1.26 -5.00 113.62 105.48 2k4a n SER 96 Ca 0.00 -1.11 -0.41 0.00 1.01 0.00 0.00 58.87 58.37 2k4a n SER 96 Cb 0.00 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.45 3.12 -0.03 1.43 -0.14 -1.26 -4.92 119.74 115.48 2k4a s LYS 97 Ca 0.05 0.30 -0.40 0.00 -1.36 0.00 0.00 55.97 54.56 2k4a s LYS 97 Cb -0.00 -4.20 -0.19 0.00 -1.68 0.00 0.00 37.83 31.76 2k4a s LYS 97 CO 0.03 -2.18 1.20 0.72 -0.76 0.00 0.00 175.35 174.37 2k4a n HIS 98 N 10.23 0.98 -4.20 3.18 8.25 -1.26 -4.94 115.22 127.46 2k4a n HIS 98 Ca 0.12 0.96 -0.24 0.00 -0.26 0.00 0.00 57.72 58.29 2k4a n HIS 98 Cb 0.50 -2.17 -0.07 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 0.48 4.97 -1.12 0.41 -1.08 -1.26 -4.89 116.67 114.17 2k4a s ASP 99 Ca 0.91 -0.40 -0.10 0.00 -0.52 0.00 0.00 52.55 52.44 2k4a s ASP 99 Cb -1.21 -1.11 0.26 0.00 -1.46 0.00 0.00 42.92 39.40 2k4a s ASP 99 CO 0.57 0.03 1.14 -0.63 0.52 0.00 0.00 175.17 176.81 2k4a s ILE 100 N -1.99 5.88 0.58 4.11 1.01 -1.26 -0.41 121.20 129.11 2k4a s ILE 100 Ca 0.30 -3.30 0.34 0.00 0.00 0.00 0.00 60.65 57.99 2k4a s ILE 100 Cb -0.08 -4.64 0.49 0.00 0.01 0.00 0.00 42.46 38.23 2k4a s ILE 100 CO 0.21 -1.24 1.64 0.16 0.00 0.00 0.00 174.94 175.72 2k4a h ILE 101 N 3.82 0.21 0.00 2.92 -2.65 -1.82 -3.35 117.51 116.64 2k4a h ILE 101 Ca 0.19 0.00 0.00 0.00 1.03 0.00 0.00 64.86 66.08 2k4a h ILE 101 Cb 0.88 0.28 0.00 0.00 -2.05 0.00 0.00 36.82 35.93 2k4a h ILE 101 CO 1.04 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.83 2k4a n GLY 102 N -1.71 -0.29 3.57 0.16 0.00 -1.23 -3.74 105.19 101.96 2k4a n GLY 102 Ca 0.23 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 0.57 0.21 1.61 -1.05 0.13 0.28 118.70 118.44 2k4a s GLU 103 Ca 0.00 -0.00 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 2k4a s GLU 103 Cb 0.00 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 2k4a s GLU 103 CO 0.00 -0.21 -0.08 -0.59 0.95 0.00 0.00 175.26 175.34 2k4a s PHE 104 N -1.73 1.58 0.00 4.83 -0.12 0.24 -3.90 117.98 118.88 2k4a s PHE 104 Ca 0.02 -0.75 -0.10 0.00 -0.05 0.00 0.00 56.93 56.05 2k4a s PHE 104 Cb -0.01 -0.84 0.01 0.00 -0.63 0.00 0.00 43.02 41.55 2k4a s PHE 104 CO -0.02 0.15 0.19 -1.59 -0.05 0.00 0.00 175.22 173.90 2k4a s LYS 105 N -3.75 0.57 -0.03 1.99 0.00 -1.26 0.96 119.74 118.22 2k4a s LYS 105 Ca 0.24 -0.39 0.00 0.00 0.00 0.00 0.00 55.97 55.83 2k4a s LYS 105 Cb 0.03 0.24 0.03 0.00 0.00 0.00 0.00 37.83 38.13 2k4a s LYS 105 CO 0.06 -0.15 -0.00 0.54 0.00 0.00 0.00 175.35 175.80 2k4a s VAL 106 N -1.58 0.21 -0.63 1.79 0.11 0.10 -4.98 120.40 115.43 2k4a s VAL 106 Ca -0.13 0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 58.72 2k4a s VAL 106 Cb -0.06 -0.30 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2k4a s VAL 106 CO 0.01 0.15 1.64 -2.16 -3.33 0.00 0.00 175.10 171.41 2k4a s PRO 107 N 1.01 2.91 0.30 1.54 0.04 -1.26 -1.26 135.00 138.27 2k4a s PRO 107 Ca -0.10 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.37 2k4a s PRO 107 Cb -0.14 -4.29 0.77 0.00 0.04 0.00 0.00 34.50 30.89 2k4a s PRO 107 CO -0.02 -2.42 1.65 0.52 0.04 0.00 0.00 177.00 176.77 2k4a h MET 108 N 12.98 0.22 -1.06 4.56 2.86 -1.25 0.44 114.93 133.68 2k4a h MET 108 Ca -0.27 -0.01 0.30 0.00 -2.06 0.00 0.00 59.70 57.66 2k4a h MET 108 Cb 1.12 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 2k4a h MET 108 CO 1.22 0.15 0.75 -0.97 1.06 0.00 0.00 176.91 179.12 2k4a h ASN 109 N 0.23 0.09 1.06 1.22 -0.73 -1.32 0.61 115.58 116.74 2k4a h ASN 109 Ca 0.58 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.77 2k4a h ASN 109 Cb 1.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.79 2k4a h ASN 109 CO -0.65 0.02 -0.74 0.00 -0.37 0.00 0.00 177.43 175.69 2k4a h THR 110 N 0.08 0.00 -3.42 -3.57 1.03 -0.41 -3.45 112.91 103.17 2k4a h THR 110 Ca 0.52 -0.81 -0.56 0.00 -0.01 0.00 0.00 66.41 65.55 2k4a h THR 110 Cb 1.92 1.40 -0.07 0.00 -1.07 0.00 0.00 68.15 70.33 2k4a h THR 110 CO -0.06 0.00 0.99 -0.69 -0.01 0.00 0.00 175.52 175.75 2k4a s VAL 111 N -3.27 4.06 -0.91 0.00 1.01 0.21 -4.95 120.40 116.55 2k4a s VAL 111 Ca 0.03 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 2k4a s VAL 111 Cb 0.10 -4.55 0.03 0.00 0.00 0.00 0.00 36.38 31.96 2k4a s VAL 111 CO 0.75 -1.07 1.51 1.51 0.00 0.00 0.00 175.10 177.80 2k4a s ASP 112 N 3.06 6.14 -0.69 3.32 -4.77 -1.26 -4.87 116.67 117.60 2k4a s ASP 112 Ca 0.50 -0.98 -0.05 0.00 -3.30 0.00 0.00 52.55 48.72 2k4a s ASP 112 Cb -0.09 -2.56 -0.07 0.00 -1.09 0.00 0.00 42.92 39.11 2k4a s ASP 112 CO 0.30 -1.83 2.06 2.22 0.70 0.00 0.00 175.17 178.62 2k4a n PHE 113 N 10.01 1.03 0.02 2.11 -1.74 -1.26 -4.38 117.46 123.25 2k4a n PHE 113 Ca 0.26 -1.66 -0.20 0.00 -0.56 0.00 0.00 57.45 55.29 2k4a n PHE 113 Cb 0.50 -1.49 -0.14 0.00 1.52 0.00 0.00 39.48 39.87 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 7.85 0.28 0.00 4.97 0.00 -1.99 -3.46 103.07 110.71 2k4a h GLY 114 Ca 0.39 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k4a h GLY 114 CO 1.21 0.63 0.00 1.42 0.00 0.00 0.00 176.54 179.80 2k4a n HIS 115 N -4.07 -0.38 -3.69 5.60 8.25 -1.26 -5.05 115.22 114.61 2k4a n HIS 115 Ca -0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.15 2k4a n HIS 115 Cb 0.84 0.43 -0.11 0.00 1.12 0.00 0.00 29.99 32.26 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 -0.86 -0.18 -0.42 1.59 -7.23 -1.26 -4.28 120.40 107.76 2k4a s VAL 116 Ca 0.00 0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 2k4a s VAL 116 Cb 0.00 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.42 2k4a s VAL 116 CO 0.00 0.06 0.43 -0.89 -0.31 0.00 0.00 175.10 174.39 2k4a s THR 117 N 1.69 5.10 0.03 5.32 2.01 0.53 -4.92 115.64 125.40 2k4a s THR 117 Ca -0.07 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2k4a s THR 117 Cb -0.10 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 2k4a s THR 117 CO -0.11 -0.43 -0.13 -1.61 -0.69 0.00 0.00 174.62 171.65 2k4a s GLU 118 N 2.10 0.91 0.00 4.92 2.02 -1.26 0.11 118.70 127.50 2k4a s GLU 118 Ca 0.11 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2k4a s GLU 118 Cb -0.17 -0.89 0.00 0.00 0.10 0.00 0.00 34.13 33.16 2k4a s GLU 118 CO 0.13 0.23 0.00 -0.85 0.02 0.00 0.00 175.26 174.79 2k4a n GLU 119 N 2.08 0.00 -2.84 1.61 0.28 -1.12 -5.03 120.64 115.62 2k4a n GLU 119 Ca -0.17 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.39 2k4a n GLU 119 Cb 0.55 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.40 2k4a n GLU 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k4a s TRP 120 N -2.00 3.04 0.22 -1.84 0.23 -1.26 -3.18 118.94 114.14 2k4a s TRP 120 Ca 0.00 -1.40 -0.30 0.00 -2.03 0.00 0.00 56.10 52.37 2k4a s TRP 120 Cb 0.00 -4.39 -0.09 0.00 0.03 0.00 0.00 33.47 29.01 2k4a s TRP 120 CO 0.00 -1.58 1.33 0.50 0.96 0.00 0.00 176.95 178.15 2k4a s ARG 121 N 3.07 4.37 0.39 4.98 6.06 0.20 -4.86 118.95 133.15 2k4a s ARG 121 Ca 0.38 2.10 -0.18 0.00 -2.50 0.00 0.00 55.73 55.53 2k4a s ARG 121 Cb -0.03 -3.17 -0.10 0.00 0.06 0.00 0.00 34.95 31.71 2k4a s ARG 121 CO -0.07 -0.27 0.86 0.16 -2.50 0.00 0.00 175.30 173.48 2k4a s ASP 122 N 0.27 6.86 -0.15 -2.12 -4.77 -1.26 0.96 116.67 116.46 2k4a s ASP 122 Ca 0.56 1.51 -0.02 0.00 -3.30 0.00 0.00 52.55 51.31 2k4a s ASP 122 Cb -0.37 -2.47 -0.02 0.00 -1.09 0.00 0.00 42.92 38.97 2k4a s ASP 122 CO 0.40 -0.30 -0.09 -0.76 0.70 0.00 0.00 175.17 175.11 2k4a s LEU 123 N -3.13 2.90 0.01 2.11 1.43 0.27 -4.71 118.68 117.55 2k4a s LEU 123 Ca 0.59 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 2k4a s LEU 123 Cb -0.10 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 2k4a s LEU 123 CO 0.16 0.15 -0.22 -1.58 0.23 0.00 0.00 176.35 175.08 2k4a s GLN 124 N 0.47 2.08 0.49 1.70 0.74 -1.25 0.13 119.66 124.01 2k4a s GLN 124 Ca -0.07 -0.95 -0.21 0.00 0.05 0.00 0.00 55.36 54.18 2k4a s GLN 124 Cb -0.15 -2.11 -0.08 0.00 1.10 0.00 0.00 33.01 31.77 2k4a s GLN 124 CO 0.04 0.55 1.09 -1.12 -0.55 0.00 0.00 175.29 175.30 2k4a s SER 125 N -0.99 6.16 -0.16 6.67 0.01 -1.25 0.17 113.70 124.31 2k4a s SER 125 Ca 0.12 2.07 -0.01 0.00 1.31 0.00 0.00 55.95 59.43 2k4a s SER 125 Cb -0.10 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.60 2k4a s SER 125 CO 0.02 -0.91 -0.02 0.00 0.41 0.00 0.00 173.24 172.74 2k4a s ALA 126 N -1.82 1.21 -0.80 1.44 0.00 -1.24 -4.71 121.76 115.83 2k4a s ALA 126 Ca 0.68 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.70 2k4a s ALA 126 Cb -0.21 -1.09 -0.20 0.00 0.00 0.00 0.00 23.12 21.63 2k4a s ALA 126 CO 0.25 -0.87 1.89 0.39 0.00 0.00 0.00 175.76 177.43 2k4a n GLU 127 N 4.97 0.98 0.00 0.00 1.02 -1.26 -4.60 120.64 121.76 2k4a n GLU 127 Ca -0.10 -1.85 0.12 0.00 -0.02 0.00 0.00 57.16 55.31 2k4a n GLU 127 Cb 0.48 -3.27 0.17 0.00 -0.02 0.00 0.00 31.44 28.80 2k4a n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94