#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 0.42 -0.09 3.49 0.00 -1.26 -4.75 119.74 117.55 2k4a s LYS 2 Ca 0.00 0.90 0.13 0.00 0.00 0.00 0.00 55.97 57.00 2k4a s LYS 2 Cb 0.00 0.52 0.23 0.00 0.00 0.00 0.00 37.83 38.59 2k4a s LYS 2 CO 0.00 -0.30 1.12 -0.11 0.00 0.00 0.00 175.35 176.05 2k4a n LEU 3 N 5.32 1.62 0.00 2.77 7.94 -0.35 -4.33 117.00 129.97 2k4a n LEU 3 Ca -0.07 -2.51 0.00 0.00 -1.11 0.00 0.00 56.01 52.32 2k4a n LEU 3 Cb 0.52 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.18 2k4a n LEU 3 CO -0.03 0.65 0.00 0.61 -1.11 0.00 0.00 177.39 177.51 2k4a n GLY 4 N -0.84 2.17 3.30 -3.96 0.00 -1.15 -4.45 105.19 100.26 2k4a n GLY 4 Ca 0.11 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 1.04 -0.09 1.61 1.02 -0.36 -0.93 119.74 122.03 2k4a s LYS 5 Ca 0.00 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.16 2k4a s LYS 5 Cb 0.00 0.43 0.02 0.00 -0.52 0.00 0.00 37.83 37.77 2k4a s LYS 5 CO 0.00 -0.39 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.82 2k4a s LEU 6 N -2.84 1.05 -0.04 3.17 0.20 0.33 0.11 118.68 120.65 2k4a s LEU 6 Ca 0.05 -0.21 -0.25 0.00 0.69 0.00 0.00 54.13 54.41 2k4a s LEU 6 Cb 0.03 -0.67 -0.04 0.00 -0.43 0.00 0.00 46.19 45.08 2k4a s LEU 6 CO -0.10 -0.12 0.75 -1.10 -0.29 0.00 0.00 176.35 175.49 2k4a s GLN 7 N 1.61 4.46 -0.04 1.98 -1.52 0.13 -1.09 119.66 125.20 2k4a s GLN 7 Ca 0.01 0.99 -0.16 0.00 -1.95 0.00 0.00 55.36 54.24 2k4a s GLN 7 Cb -0.13 -3.44 0.03 0.00 -0.22 0.00 0.00 33.01 29.25 2k4a s GLN 7 CO -0.05 0.07 0.37 1.52 -0.25 0.00 0.00 175.29 176.94 2k4a s TYR 8 N 0.74 -0.27 -0.27 0.91 1.13 -1.13 0.13 117.35 118.59 2k4a s TYR 8 Ca 0.40 0.49 -0.01 0.00 -1.41 0.00 0.00 57.07 56.54 2k4a s TYR 8 Cb -0.19 0.14 0.08 0.00 -1.10 0.00 0.00 41.96 40.90 2k4a s TYR 8 CO 0.20 -0.39 0.05 -1.54 -2.51 0.00 0.00 175.55 171.37 2k4a s SER 9 N -1.07 3.71 0.11 -0.18 1.04 0.23 -2.36 113.70 115.18 2k4a s SER 9 Ca -0.11 -1.35 0.05 0.00 0.48 0.00 0.00 55.95 55.01 2k4a s SER 9 Cb -0.04 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 2k4a s SER 9 CO 0.04 -0.35 0.04 -0.76 0.98 0.00 0.00 173.24 173.19 2k4a s LEU 10 N 1.63 3.59 0.33 2.42 1.43 0.34 -2.51 118.68 125.90 2k4a s LEU 10 Ca 0.04 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2k4a s LEU 10 Cb -0.18 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2k4a s LEU 10 CO -0.17 0.15 0.18 1.51 0.23 0.00 0.00 176.35 178.26 2k4a s ASP 11 N -2.50 1.81 -0.01 2.29 1.47 0.14 0.22 116.67 120.09 2k4a s ASP 11 Ca 0.28 -1.63 0.06 0.00 1.18 0.00 0.00 52.55 52.44 2k4a s ASP 11 Cb -0.11 0.45 -0.02 0.00 -0.34 0.00 0.00 42.92 42.90 2k4a s ASP 11 CO 0.20 -0.94 -0.20 -0.72 0.68 0.00 0.00 175.17 174.19 2k4a s TYR 12 N -3.49 1.80 -0.18 2.11 1.13 -1.26 0.20 117.35 117.66 2k4a s TYR 12 Ca 0.34 -0.34 -0.02 0.00 -1.41 0.00 0.00 57.07 55.65 2k4a s TYR 12 Cb 0.04 -1.15 -0.01 0.00 -1.10 0.00 0.00 41.96 39.74 2k4a s TYR 12 CO 0.19 -0.03 -0.10 0.34 -2.51 0.00 0.00 175.55 173.44 2k4a s ASP 13 N -0.48 3.98 0.00 -0.18 -1.08 0.95 -4.90 116.67 114.96 2k4a s ASP 13 Ca 0.08 -0.41 0.24 0.00 -0.52 0.00 0.00 52.55 51.93 2k4a s ASP 13 Cb -0.08 -1.65 0.30 0.00 -1.46 0.00 0.00 42.92 40.03 2k4a s ASP 13 CO -0.01 0.05 1.32 2.22 0.52 0.00 0.00 175.17 179.28 2k4a n PHE 14 N 4.31 0.14 -0.08 -5.34 1.16 -1.26 -1.88 117.46 114.51 2k4a n PHE 14 Ca -0.19 -0.07 -0.23 0.00 -1.87 0.00 0.00 57.45 55.10 2k4a n PHE 14 Cb 0.51 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.26 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 1.33 0.64 0.01 3.97 10.64 -1.26 -4.39 117.38 128.33 2k4a n GLN 15 Ca 0.16 0.36 0.11 0.00 -1.83 0.00 0.00 57.00 55.79 2k4a n GLN 15 Cb 0.59 -1.65 -0.07 0.00 -0.86 0.00 0.00 30.24 28.25 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 -3.94 0.53 -2.19 2.61 0.23 -1.26 -5.04 115.26 106.20 2k4a n ASN 16 Ca -0.39 -0.31 -0.03 0.00 -0.53 0.00 0.00 54.58 53.32 2k4a n ASN 16 Cb 0.88 1.20 0.00 0.00 -2.08 0.00 0.00 39.78 39.78 2k4a n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k4a n ASN 17 N -1.97 -4.93 -3.60 0.53 2.85 -1.06 -4.94 115.26 102.14 2k4a n ASN 17 Ca 0.01 0.20 -0.05 0.00 -0.11 0.00 0.00 54.58 54.63 2k4a n ASN 17 Cb 0.46 -3.17 -0.03 0.00 1.24 0.00 0.00 39.78 38.28 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -2.08 0.29 -0.07 1.20 1.03 -0.79 -3.17 119.66 116.08 2k4a s GLN 18 Ca 0.09 -0.07 -0.13 0.00 0.04 0.00 0.00 55.36 55.29 2k4a s GLN 18 Cb -0.03 0.14 -0.05 0.00 0.03 0.00 0.00 33.01 33.10 2k4a s GLN 18 CO 0.38 -0.12 0.32 -0.51 -2.54 0.00 0.00 175.29 172.82 2k4a s LEU 19 N -1.93 4.39 -0.60 2.60 1.43 -0.82 -0.04 118.68 123.72 2k4a s LEU 19 Ca 0.08 0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 53.72 2k4a s LEU 19 Cb -0.01 -2.42 0.10 0.00 0.03 0.00 0.00 46.19 43.89 2k4a s LEU 19 CO -0.05 0.28 0.74 -0.22 0.23 0.00 0.00 176.35 177.34 2k4a s LEU 20 N -0.64 5.20 -0.67 1.79 1.98 0.54 -0.73 118.68 126.15 2k4a s LEU 20 Ca 0.20 -1.34 -0.20 0.00 -2.89 0.00 0.00 54.13 49.91 2k4a s LEU 20 Cb -0.15 -2.33 0.10 0.00 0.66 0.00 0.00 46.19 44.48 2k4a s LEU 20 CO 0.09 -1.16 0.85 -0.69 -1.89 0.00 0.00 176.35 173.55 2k4a s VAL 21 N 2.92 4.67 -0.55 1.68 1.01 -0.39 0.26 120.40 129.99 2k4a s VAL 21 Ca 0.13 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2k4a s VAL 21 Cb -0.23 -4.60 0.14 0.00 0.00 0.00 0.00 36.38 31.70 2k4a s VAL 21 CO 0.07 -1.29 0.46 -0.83 0.00 0.00 0.00 175.10 173.51 2k4a s GLY 22 N 3.59 2.18 -0.14 4.51 0.00 -1.04 0.57 107.32 116.98 2k4a s GLY 22 Ca 0.18 -2.71 -0.20 0.00 0.00 0.00 0.00 44.72 41.99 2k4a s GLY 22 CO 0.05 1.16 0.59 -0.26 0.00 0.00 0.00 173.10 174.63 2k4a s ILE 23 N 1.14 5.09 -0.05 0.90 -0.00 -1.05 0.78 121.20 128.01 2k4a s ILE 23 Ca 0.08 1.14 -0.11 0.00 -0.00 0.00 0.00 60.65 61.76 2k4a s ILE 23 Cb -0.25 -3.91 -0.06 0.00 -0.00 0.00 0.00 42.46 38.24 2k4a s ILE 23 CO -0.01 0.21 0.46 0.40 -0.00 0.00 0.00 174.94 176.00 2k4a h ILE 24 N 4.94 0.00 -1.67 8.37 2.04 0.73 -2.49 117.51 129.44 2k4a h ILE 24 Ca -0.37 -0.65 0.22 0.00 1.00 0.00 0.00 64.86 65.06 2k4a h ILE 24 Cb 1.17 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.07 2k4a h ILE 24 CO 0.76 0.00 0.74 0.00 0.00 0.00 0.00 178.15 179.65 2k4a s GLN 25 N -2.79 0.43 -0.07 2.37 -2.07 -0.99 -1.51 119.66 115.03 2k4a s GLN 25 Ca -0.06 -0.16 0.01 0.00 -1.82 0.00 0.00 55.36 53.33 2k4a s GLN 25 Cb 0.01 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 2k4a s GLN 25 CO 0.17 -0.19 -0.06 0.00 -1.32 0.00 0.00 175.29 173.88 2k4a s ALA 26 N -2.59 3.00 -0.06 2.60 0.00 -1.26 0.21 121.76 123.67 2k4a s ALA 26 Ca 0.08 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2k4a s ALA 26 Cb -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2k4a s ALA 26 CO -0.06 0.57 -0.18 0.00 0.00 0.00 0.00 175.76 176.09 2k4a s ALA 27 N -0.81 1.67 -0.00 0.00 0.00 0.29 -3.82 121.76 119.09 2k4a s ALA 27 Ca 0.12 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 2k4a s ALA 27 Cb -0.11 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 2k4a s ALA 27 CO 0.01 0.26 0.00 0.39 0.00 0.00 0.00 175.76 176.42 2k4a n GLU 28 N 3.37 -0.01 -3.77 0.00 1.02 -0.84 -1.22 120.64 119.18 2k4a n GLU 28 Ca -0.19 0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.60 2k4a n GLU 28 Cb 0.53 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.97 4.39 0.98 -4.62 1.43 -0.80 -2.94 118.68 114.14 2k4a s LEU 29 Ca 0.00 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 2k4a s LEU 29 Cb -0.00 -2.19 0.06 0.00 0.03 0.00 0.00 46.19 44.09 2k4a s LEU 29 CO 0.00 0.36 0.42 -2.65 0.23 0.00 0.00 176.35 174.72 2k4a n PRO 30 N 2.15 -0.54 -3.49 1.29 -0.02 -1.26 -4.75 135.00 128.37 2k4a n PRO 30 Ca -0.18 -0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 60.79 2k4a n PRO 30 Cb 0.54 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -2.39 3.54 -0.04 3.55 0.00 -1.26 -4.54 121.76 120.62 2k4a s ALA 31 Ca 0.58 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.62 2k4a s ALA 31 Cb -0.20 -2.61 -0.12 0.00 0.00 0.00 0.00 23.12 20.19 2k4a s ALA 31 CO 0.66 -0.66 0.12 1.28 0.00 0.00 0.00 175.76 177.17 2k4a n LEU 32 N 5.20 0.00 -4.85 0.00 7.99 -0.09 -4.83 117.00 120.43 2k4a n LEU 32 Ca -0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.57 2k4a n LEU 32 Cb 0.51 0.08 -0.05 0.00 -0.11 0.00 0.00 43.42 43.85 2k4a n LEU 32 CO 0.35 0.08 0.51 -0.62 -1.51 0.00 0.00 177.39 176.20 2k4a s ASP 33 N -3.36 6.72 -0.55 -1.43 -1.08 0.58 -4.91 116.67 112.63 2k4a s ASP 33 Ca -0.03 1.36 -0.20 0.00 -0.52 0.00 0.00 52.55 53.16 2k4a s ASP 33 Cb 0.04 -2.41 -0.18 0.00 -1.46 0.00 0.00 42.92 38.91 2k4a s ASP 33 CO 0.33 -0.34 1.80 0.80 0.52 0.00 0.00 175.17 178.28 2k4a n MET 34 N -0.84 1.12 0.00 4.34 0.00 -1.26 -3.36 117.12 117.12 2k4a n MET 34 Ca 0.04 -1.48 0.00 0.00 -0.00 0.00 0.00 57.70 56.26 2k4a n MET 34 Cb 0.54 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.08 2k4a n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k4a n GLY 35 N 4.49 0.00 3.96 -5.12 0.00 -1.26 -4.96 105.19 102.29 2k4a n GLY 35 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 3.52 -0.02 0.00 -1.21 -4.90 105.19 102.13 2k4a n GLY 36 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.10 0.00 0.31 2.61 -4.23 -1.24 -4.84 115.64 105.15 2k4a s THR 37 Ca 0.63 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.43 2k4a s THR 37 Cb -0.35 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2k4a s THR 37 CO 0.78 0.00 0.68 -0.44 -0.54 0.00 0.00 174.62 175.10 2k4a s SER 38 N -3.24 -0.06 -0.72 3.99 0.01 -1.26 0.21 113.70 112.64 2k4a s SER 38 Ca 0.29 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.69 2k4a s SER 38 Cb -0.01 0.74 0.31 0.00 0.21 0.00 0.00 66.02 67.27 2k4a s SER 38 CO 0.20 -1.42 1.10 0.47 0.41 0.00 0.00 173.24 174.00 2k4a n ASP 39 N -0.82 4.98 -4.70 2.44 9.92 -1.26 0.50 116.55 127.61 2k4a n ASP 39 Ca -0.05 -3.60 -0.42 0.00 -0.53 0.00 0.00 54.79 50.20 2k4a n ASP 39 Cb 0.60 -0.77 -0.03 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 -3.28 4.36 -0.03 -0.24 0.04 -1.24 -0.18 135.00 134.42 2k4a s PRO 40 Ca 0.43 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.31 2k4a s PRO 40 Cb 0.21 -3.44 0.02 0.00 0.04 0.00 0.00 34.50 31.32 2k4a s PRO 40 CO -0.08 -0.41 -0.02 1.52 0.04 0.00 0.00 177.00 178.05 2k4a s TYR 41 N 1.69 0.48 0.06 0.56 -0.85 0.23 -3.63 117.35 115.90 2k4a s TYR 41 Ca 0.60 -0.08 -0.24 0.00 -0.52 0.00 0.00 57.07 56.83 2k4a s TYR 41 Cb -0.30 -0.48 -0.06 0.00 0.38 0.00 0.00 41.96 41.51 2k4a s TYR 41 CO 0.27 -0.13 0.73 0.14 -1.52 0.00 0.00 175.55 175.04 2k4a s VAL 42 N 0.81 4.68 -0.22 -3.49 -7.23 -1.26 0.79 120.40 114.48 2k4a s VAL 42 Ca -0.09 1.57 0.02 0.00 -1.81 0.00 0.00 61.98 61.67 2k4a s VAL 42 Cb -0.12 -4.08 0.05 0.00 0.56 0.00 0.00 36.38 32.78 2k4a s VAL 42 CO -0.01 0.41 -0.13 -1.59 -0.31 0.00 0.00 175.10 173.47 2k4a s LYS 43 N -0.35 2.39 0.07 4.82 -2.85 0.37 -1.87 119.74 122.32 2k4a s LYS 43 Ca 0.36 -1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 2k4a s LYS 43 Cb -0.21 -2.69 -0.05 0.00 -2.06 0.00 0.00 37.83 32.82 2k4a s LYS 43 CO 0.23 -0.44 1.11 0.14 0.10 0.00 0.00 175.35 176.49 2k4a s VAL 44 N 1.22 4.26 0.06 1.79 -7.23 -0.88 -2.25 120.40 117.37 2k4a s VAL 44 Ca -0.03 1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 61.81 2k4a s VAL 44 Cb -0.17 -4.08 -0.04 0.00 0.56 0.00 0.00 36.38 32.65 2k4a s VAL 44 CO -0.08 0.16 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.48 2k4a s PHE 45 N 0.78 0.58 0.36 2.82 0.08 0.74 -3.80 117.98 119.54 2k4a s PHE 45 Ca 0.55 -1.00 0.07 0.00 0.12 0.00 0.00 56.93 56.66 2k4a s PHE 45 Cb -0.27 -0.40 -0.07 0.00 -0.57 0.00 0.00 43.02 41.71 2k4a s PHE 45 CO 0.30 -0.32 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.57 2k4a s LEU 46 N -2.85 2.65 0.00 -0.37 2.01 -1.26 0.13 118.68 118.98 2k4a s LEU 46 Ca 0.07 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 52.90 2k4a s LEU 46 Cb 0.06 -0.78 0.00 0.00 0.01 0.00 0.00 46.19 45.49 2k4a s LEU 46 CO -0.08 -0.41 0.00 0.00 1.01 0.00 0.00 176.35 176.86 2k4a n LEU 47 N -0.82 0.00 -0.15 1.79 -0.00 0.13 -4.17 117.00 113.79 2k4a n LEU 47 Ca -0.04 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.10 2k4a n LEU 47 Cb 0.66 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 44.32 2k4a n LEU 47 CO 0.45 -0.90 0.45 -2.65 -0.00 0.00 0.00 177.39 174.74 2k4a n PRO 48 N -1.13 -0.02 0.04 1.47 -0.02 -1.26 0.36 135.00 134.44 2k4a n PRO 48 Ca 0.00 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 2k4a n PRO 48 Cb 0.00 -0.99 -0.09 0.00 -0.02 0.00 0.00 33.50 32.40 2k4a n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k4a h ASP 49 N 0.00 -1.59 -2.03 2.55 3.58 -1.87 -3.45 116.42 113.61 2k4a h ASP 49 Ca 0.34 0.18 -0.20 0.00 0.42 0.00 0.00 57.03 57.78 2k4a h ASP 49 Cb 0.98 0.61 -0.06 0.00 1.72 0.00 0.00 39.33 42.58 2k4a h ASP 49 CO -0.27 -0.50 -0.19 0.29 -2.88 0.00 0.00 179.24 175.69 2k4a n LYS 50 N -5.46 -1.44 -1.43 0.28 5.02 0.16 -4.82 118.16 110.47 2k4a n LYS 50 Ca -0.07 0.55 -0.33 0.00 -2.02 0.00 0.00 58.31 56.44 2k4a n LYS 50 Cb 0.39 -4.81 -0.05 0.00 -0.02 0.00 0.00 35.03 30.54 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k4a n LYS 51 N -1.85 3.48 0.00 1.97 5.02 -1.26 -4.65 118.16 120.87 2k4a n LYS 51 Ca -0.10 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2k4a n LYS 51 Cb 0.37 -2.55 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 2.67 0.00 -3.64 1.97 2.85 -1.26 -4.40 118.16 116.35 2k4a n LYS 52 Ca 0.65 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.62 2k4a n LYS 52 Cb 0.40 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.63 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 0.47 -0.10 -1.58 2.20 -1.26 -4.49 119.74 114.98 2k4a s LYS 53 Ca 0.00 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.80 2k4a s LYS 53 Cb 0.00 -1.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.74 2k4a s LYS 53 CO 0.00 -1.01 -0.20 0.12 -0.36 0.00 0.00 175.35 173.90 2k4a s PHE 54 N 1.81 2.26 -0.17 4.03 5.36 -1.25 -5.04 117.98 124.98 2k4a s PHE 54 Ca 0.10 -0.99 -0.04 0.00 -0.96 0.00 0.00 56.93 55.04 2k4a s PHE 54 Cb -0.17 -1.55 -0.03 0.00 -0.34 0.00 0.00 43.02 40.93 2k4a s PHE 54 CO -0.30 -0.44 -0.03 -2.00 -1.46 0.00 0.00 175.22 170.99 2k4a s GLU 55 N 0.63 3.65 0.73 10.12 2.12 -1.26 -2.08 118.70 132.60 2k4a s GLU 55 Ca -0.13 -0.52 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 2k4a s GLU 55 Cb -0.16 -2.96 0.03 0.00 0.26 0.00 0.00 34.13 31.29 2k4a s GLU 55 CO 0.04 0.17 1.11 0.95 -0.54 0.00 0.00 175.26 176.98 2k4a s THR 56 N 0.56 3.27 0.08 -1.70 -4.23 -0.78 -5.00 115.64 107.83 2k4a s THR 56 Ca -0.02 0.41 -0.31 0.00 -1.18 0.00 0.00 61.69 60.59 2k4a s THR 56 Cb -0.14 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.24 2k4a s THR 56 CO 0.02 -0.54 1.36 -0.75 -0.54 0.00 0.00 174.62 174.17 2k4a s LYS 57 N -5.37 4.33 0.73 3.99 2.20 -1.26 -4.76 119.74 119.61 2k4a s LYS 57 Ca 0.59 1.99 -0.16 0.00 -0.36 0.00 0.00 55.97 58.04 2k4a s LYS 57 Cb -0.11 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.90 2k4a s LYS 57 CO 0.52 -0.43 1.17 1.55 -0.36 0.00 0.00 175.35 177.79 2k4a n VAL 58 N 4.10 3.19 -3.83 4.02 3.14 -1.26 -4.81 118.33 122.88 2k4a n VAL 58 Ca 0.11 -0.35 -0.30 0.00 -2.96 0.00 0.00 64.34 60.85 2k4a n VAL 58 Cb 0.43 -1.26 -0.14 0.00 -1.06 0.00 0.00 33.84 31.81 2k4a n VAL 58 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2k4a s HIS 59 N -1.80 2.52 0.02 1.45 0.09 -1.24 -5.02 115.29 111.31 2k4a s HIS 59 Ca 0.76 -2.48 -0.30 0.00 -0.00 0.00 0.00 55.06 53.05 2k4a s HIS 59 Cb -0.33 -2.24 -0.08 0.00 -0.00 0.00 0.00 32.58 29.92 2k4a s HIS 59 CO 0.47 -0.85 1.93 -0.98 -0.00 0.00 0.00 174.74 175.32 2k4a s ARG 60 N 0.77 4.14 -0.41 1.40 1.04 -1.26 -3.66 118.95 120.97 2k4a s ARG 60 Ca 0.14 2.56 -0.22 0.00 -1.04 0.00 0.00 55.73 57.17 2k4a s ARG 60 Cb -0.21 -4.14 0.03 0.00 -2.04 0.00 0.00 34.95 28.58 2k4a s ARG 60 CO -0.09 -0.95 0.54 1.63 -0.04 0.00 0.00 175.30 176.39 2k4a n LYS 61 N 7.50 -2.24 -3.63 3.89 4.76 -0.72 -4.95 118.16 122.77 2k4a n LYS 61 Ca 0.20 1.90 -0.10 0.00 -2.87 0.00 0.00 58.31 57.44 2k4a n LYS 61 Cb 0.41 -4.27 -0.07 0.00 -1.84 0.00 0.00 35.03 29.27 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 -2.08 0.00 -0.37 -0.18 -1.32 0.18 -4.82 115.64 107.04 2k4a s THR 62 Ca 0.26 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.82 2k4a s THR 62 Cb -0.05 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.15 2k4a s THR 62 CO 0.77 0.00 1.16 0.18 -2.21 0.00 0.00 174.62 174.52 2k4a n LEU 63 N 2.08 2.60 -2.70 9.08 4.77 -1.26 -4.03 117.00 127.53 2k4a n LEU 63 Ca -0.12 -2.25 -0.06 0.00 -0.03 0.00 0.00 56.01 53.54 2k4a n LEU 63 Cb 0.56 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2k4a n LEU 63 CO 0.04 0.63 0.47 -3.20 -1.33 0.00 0.00 177.39 174.00 2k4a n ASN 64 N -0.25 -1.94 -4.72 -1.43 5.15 -1.26 -1.90 115.26 108.91 2k4a n ASN 64 Ca 0.09 -2.69 -0.36 0.00 -0.60 0.00 0.00 54.58 51.01 2k4a n ASN 64 Cb 0.44 1.43 -0.07 0.00 -0.53 0.00 0.00 39.78 41.05 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N 0.27 4.24 0.44 1.20 0.04 -1.25 -4.96 135.00 134.98 2k4a s PRO 65 Ca 0.25 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.31 2k4a s PRO 65 Cb 0.26 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2k4a s PRO 65 CO -0.14 0.20 0.72 0.14 0.04 0.00 0.00 177.00 177.96 2k4a s VAL 66 N 0.59 4.96 0.00 -0.36 -7.23 -1.26 -3.98 120.40 113.12 2k4a s VAL 66 Ca 0.16 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2k4a s VAL 66 Cb -0.13 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2k4a s VAL 66 CO 0.04 -0.76 0.00 0.33 -0.31 0.00 0.00 175.10 174.40 2k4a n PHE 67 N -2.10 -0.86 -2.69 2.82 -0.00 -0.80 -5.01 117.46 108.80 2k4a n PHE 67 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.35 2k4a n PHE 67 Cb 0.55 0.17 0.05 0.00 -0.00 0.00 0.00 39.48 40.25 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 -1.78 -2.44 -4.79 -2.13 5.15 -0.57 -5.01 115.26 103.69 2k4a n ASN 68 Ca 0.00 -0.33 -0.32 0.00 -0.60 0.00 0.00 54.58 53.32 2k4a n ASN 68 Cb 0.00 -2.94 0.05 0.00 -0.53 0.00 0.00 39.78 36.35 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 -4.54 2.86 -0.32 1.20 2.56 -0.95 -4.81 118.70 114.68 2k4a s GLU 69 Ca 0.04 1.21 -0.03 0.00 0.00 0.00 0.00 54.97 56.20 2k4a s GLU 69 Cb -0.01 -1.97 0.06 0.00 2.00 0.00 0.00 34.13 34.21 2k4a s GLU 69 CO 0.39 -1.18 0.05 -1.14 -0.56 0.00 0.00 175.26 172.81 2k4a s GLN 70 N -4.43 2.42 -0.24 4.30 -0.44 -1.26 -2.53 119.66 117.48 2k4a s GLN 70 Ca 0.63 -1.32 -0.19 0.00 -2.50 0.00 0.00 55.36 51.98 2k4a s GLN 70 Cb -0.17 -3.30 -0.03 0.00 -1.64 0.00 0.00 33.01 27.87 2k4a s GLN 70 CO 0.46 -0.69 0.55 0.12 0.50 0.00 0.00 175.29 176.23 2k4a s PHE 71 N 1.27 3.30 -0.84 1.67 5.36 0.19 -4.95 117.98 123.98 2k4a s PHE 71 Ca -0.03 0.73 -0.24 0.00 -0.96 0.00 0.00 56.93 56.43 2k4a s PHE 71 Cb -0.20 -2.74 0.05 0.00 -0.34 0.00 0.00 43.02 39.79 2k4a s PHE 71 CO -0.01 -0.24 1.29 0.99 -1.46 0.00 0.00 175.22 175.79 2k4a s THR 72 N 2.16 3.96 -1.26 0.12 2.01 -1.26 -1.26 115.64 120.11 2k4a s THR 72 Ca 0.24 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 2k4a s THR 72 Cb -0.16 -4.93 -0.05 0.00 0.01 0.00 0.00 72.50 67.37 2k4a s THR 72 CO 0.09 -1.81 2.35 0.33 -0.69 0.00 0.00 174.62 174.89 2k4a n PHE 73 N 8.74 2.47 -1.55 4.92 7.35 0.09 -4.88 117.46 134.61 2k4a n PHE 73 Ca 0.15 -2.57 -0.34 0.00 -0.76 0.00 0.00 57.45 53.93 2k4a n PHE 73 Cb 0.49 -2.19 -0.05 0.00 0.35 0.00 0.00 39.48 38.08 2k4a n PHE 73 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2k4a n LYS 74 N 5.23 0.88 -3.65 -4.13 4.76 -1.26 -1.94 118.16 118.05 2k4a n LYS 74 Ca 0.57 -0.11 -0.02 0.00 -2.87 0.00 0.00 58.31 55.89 2k4a n LYS 74 Cb 0.30 -3.28 -0.07 0.00 -1.84 0.00 0.00 35.03 30.14 2k4a n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k4a s VAL 75 N 12.15 0.00 0.12 -0.18 0.11 -1.19 -4.69 120.40 126.73 2k4a s VAL 75 Ca 1.01 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 59.73 2k4a s VAL 75 Cb -0.27 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.46 2k4a s VAL 75 CO 0.26 0.00 1.71 -2.65 -3.33 0.00 0.00 175.10 171.10 2k4a n PRO 76 N 1.92 2.42 -0.33 1.54 -0.02 -1.25 -3.39 135.00 135.88 2k4a n PRO 76 Ca -0.12 0.88 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 2k4a n PRO 76 Cb 0.57 -2.70 0.38 0.00 -0.02 0.00 0.00 33.50 31.73 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 7.22 0.94 0.00 6.00 -0.00 -1.89 0.90 116.97 130.14 2k4a h TYR 77 Ca -0.45 0.03 -0.02 0.00 0.00 0.00 0.00 58.73 58.28 2k4a h TYR 77 Cb 1.24 -0.28 -0.00 0.00 0.00 0.00 0.00 36.73 37.69 2k4a h TYR 77 CO 0.71 0.17 -0.11 0.77 -0.00 0.00 0.00 178.16 179.70 2k4a h SER 78 N 0.64 0.00 0.94 0.10 0.02 -2.00 -1.86 113.55 111.39 2k4a h SER 78 Ca 0.58 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.42 2k4a h SER 78 Cb 1.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2k4a h SER 78 CO -0.36 0.11 -1.13 -0.33 -1.14 0.00 0.00 176.83 173.98 2k4a h GLU 79 N 0.00 0.00 -1.45 3.45 5.08 0.32 -3.36 114.58 118.61 2k4a h GLU 79 Ca -0.00 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 58.79 2k4a h GLU 79 Cb 0.21 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 2k4a h GLU 79 CO 0.01 0.23 1.00 1.37 -1.00 0.00 0.00 179.01 180.63 2k4a h LEU 80 N 0.00 0.13 -0.88 1.33 -0.00 0.16 -1.41 115.31 114.64 2k4a h LEU 80 Ca -0.09 0.05 0.18 0.00 -0.00 0.00 0.00 57.88 58.02 2k4a h LEU 80 Cb 1.39 0.04 -0.17 0.00 -0.00 0.00 0.00 40.66 41.92 2k4a h LEU 80 CO 0.04 -0.05 -0.19 1.23 -0.00 0.00 0.00 178.44 179.46 2k4a h GLY 81 N 0.07 0.68 -3.70 0.17 0.00 -1.72 0.31 103.07 98.88 2k4a h GLY 81 Ca 0.76 0.27 -0.52 0.00 0.00 0.00 0.00 47.33 47.84 2k4a h GLY 81 CO -0.17 -0.34 0.54 0.61 0.00 0.00 0.00 176.54 177.17 2k4a n GLY 82 N -1.55 5.11 2.76 4.60 0.00 -0.53 -2.03 105.19 113.54 2k4a n GLY 82 Ca 0.14 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 2k4a n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4a n LYS 83 N -1.05 3.31 -1.66 1.61 4.01 0.11 -4.81 118.16 119.69 2k4a n LYS 83 Ca 0.56 -4.78 -0.43 0.00 -0.51 0.00 0.00 58.31 53.15 2k4a n LYS 83 Cb 1.22 -2.28 -0.03 0.00 -0.51 0.00 0.00 35.03 33.42 2k4a n LYS 83 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2k4a n THR 84 N 0.18 0.70 -4.06 -0.18 -1.04 -1.26 -4.53 114.28 104.09 2k4a n THR 84 Ca 0.32 -0.17 -0.28 0.00 -2.04 0.00 0.00 64.05 61.88 2k4a n THR 84 Cb 0.38 -2.28 -0.06 0.00 -1.82 0.00 0.00 70.33 66.56 2k4a n THR 84 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2k4a s LEU 85 N 4.82 3.84 -0.01 -4.42 2.34 -1.23 0.22 118.68 124.24 2k4a s LEU 85 Ca 0.91 -0.06 0.02 0.00 0.06 0.00 0.00 54.13 55.05 2k4a s LEU 85 Cb -0.47 -2.48 -0.00 0.00 -0.56 0.00 0.00 46.19 42.69 2k4a s LEU 85 CO 0.43 0.11 -0.05 0.68 -1.06 0.00 0.00 176.35 176.46 2k4a s VAL 86 N -1.61 0.41 -0.38 1.48 -7.23 0.35 -2.54 120.40 110.88 2k4a s VAL 86 Ca 0.31 -0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 2k4a s VAL 86 Cb -0.11 -0.36 0.09 0.00 0.56 0.00 0.00 36.38 36.56 2k4a s VAL 86 CO 0.23 0.12 0.15 -0.32 -0.31 0.00 0.00 175.10 174.98 2k4a s MET 87 N -0.02 2.14 -0.20 4.82 1.75 0.36 -0.18 119.30 127.97 2k4a s MET 87 Ca 0.01 -1.65 -0.09 0.00 -1.25 0.00 0.00 55.69 52.71 2k4a s MET 87 Cb -0.03 -3.48 -0.05 0.00 2.84 0.00 0.00 34.83 34.11 2k4a s MET 87 CO -0.00 -0.94 0.10 0.00 -0.65 0.00 0.00 175.02 173.53 2k4a s ALA 88 N 1.18 3.53 -0.40 4.11 0.00 -0.95 -0.11 121.76 129.12 2k4a s ALA 88 Ca 0.05 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 2k4a s ALA 88 Cb -0.22 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.85 2k4a s ALA 88 CO -0.03 0.12 0.38 0.54 0.00 0.00 0.00 175.76 176.76 2k4a s VAL 89 N 0.47 5.16 -0.13 0.00 0.11 0.19 0.14 120.40 126.33 2k4a s VAL 89 Ca 0.06 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.67 2k4a s VAL 89 Cb -0.12 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2k4a s VAL 89 CO -0.00 -0.32 0.11 -0.47 -3.33 0.00 0.00 175.10 171.09 2k4a s TYR 90 N 1.97 3.49 0.61 1.54 5.04 0.24 -2.26 117.35 127.97 2k4a s TYR 90 Ca 0.10 0.43 -0.09 0.00 -2.44 0.00 0.00 57.07 55.06 2k4a s TYR 90 Cb -0.18 -1.95 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 2k4a s TYR 90 CO 0.12 0.61 0.98 0.34 -1.34 0.00 0.00 175.55 176.27 2k4a s ASP 91 N -0.78 6.00 -0.34 4.32 2.15 0.30 0.78 116.67 129.11 2k4a s ASP 91 Ca 0.13 1.19 0.16 0.00 0.43 0.00 0.00 52.55 54.46 2k4a s ASP 91 Cb -0.12 -2.23 0.43 0.00 -0.30 0.00 0.00 42.92 40.70 2k4a s ASP 91 CO 0.03 -0.93 0.96 0.33 -0.17 0.00 0.00 175.17 175.39 2k4a n PHE 92 N -2.69 0.58 -0.35 -5.34 7.35 0.74 -4.40 117.46 113.34 2k4a n PHE 92 Ca 0.05 -2.84 0.37 0.00 -0.76 0.00 0.00 57.45 54.27 2k4a n PHE 92 Cb 0.55 -0.15 0.74 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 2.90 0.00 -0.41 -2.13 2.03 -1.88 -3.42 116.42 113.51 2k4a h ASP 93 Ca -0.09 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.14 2k4a h ASP 93 Cb 1.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 2k4a h ASP 93 CO 0.44 0.00 -0.08 0.54 -1.03 0.00 0.00 179.24 179.11 2k4a n ARG 94 N -4.02 -0.26 0.00 4.15 1.74 -1.26 -4.86 116.66 112.16 2k4a n ARG 94 Ca 0.27 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2k4a n ARG 94 Cb 1.35 -3.92 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 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 -3.79 -1.15 -2.04 -1.55 7.35 -1.26 -5.14 117.46 109.88 2k4a n PHE 95 Ca -0.04 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.37 2k4a n PHE 95 Cb 0.45 0.49 0.12 0.00 0.35 0.00 0.00 39.48 40.89 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k4a s SER 96 N -2.55 4.02 -0.89 -2.13 0.01 -1.26 -4.90 113.70 106.00 2k4a s SER 96 Ca 0.00 0.41 -0.25 0.00 1.31 0.00 0.00 55.95 57.42 2k4a s SER 96 Cb 0.00 -0.75 -0.09 0.00 0.21 0.00 0.00 66.02 65.39 2k4a s SER 96 CO 0.00 -2.16 2.11 -0.54 0.41 0.00 0.00 173.24 173.06 2k4a s LYS 97 N -5.59 2.17 0.69 12.44 -0.14 -1.26 -4.84 119.74 123.21 2k4a s LYS 97 Ca 0.67 -0.09 -0.17 0.00 -1.36 0.00 0.00 55.97 55.02 2k4a s LYS 97 Cb -0.08 -4.98 -0.10 0.00 -1.68 0.00 0.00 37.83 31.00 2k4a s LYS 97 CO 0.49 -3.87 0.08 0.72 -0.76 0.00 0.00 175.35 172.02 2k4a n HIS 98 N 15.84 -2.25 -4.28 3.18 8.25 -1.26 -5.00 115.22 129.69 2k4a n HIS 98 Ca 0.43 0.32 -0.15 0.00 -0.26 0.00 0.00 57.72 58.06 2k4a n HIS 98 Cb 0.46 -1.76 -0.10 0.00 1.12 0.00 0.00 29.99 29.71 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 -1.22 1.72 -0.97 0.41 2.15 -1.26 -4.92 116.67 112.58 2k4a s ASP 99 Ca 0.58 -1.12 -0.18 0.00 0.43 0.00 0.00 52.55 52.26 2k4a s ASP 99 Cb -0.37 0.02 0.14 0.00 -0.30 0.00 0.00 42.92 42.40 2k4a s ASP 99 CO 0.65 -0.44 1.17 -0.63 -0.17 0.00 0.00 175.17 175.74 2k4a s ILE 100 N -3.42 4.80 0.43 4.11 1.01 -1.26 -0.54 121.20 126.33 2k4a s ILE 100 Ca 0.23 -1.78 0.26 0.00 0.00 0.00 0.00 60.65 59.36 2k4a s ILE 100 Cb 0.04 -4.79 0.45 0.00 0.01 0.00 0.00 42.46 38.17 2k4a s ILE 100 CO 0.05 -1.52 1.68 0.16 0.00 0.00 0.00 174.94 175.31 2k4a h ILE 101 N 5.61 0.28 -1.86 2.92 -2.65 -1.73 -3.30 117.51 116.79 2k4a h ILE 101 Ca 0.18 -0.07 0.26 0.00 1.03 0.00 0.00 64.86 66.26 2k4a h ILE 101 Cb 1.00 0.07 -0.10 0.00 -2.05 0.00 0.00 36.82 35.73 2k4a h ILE 101 CO 1.12 0.04 0.67 -0.83 0.03 0.00 0.00 178.15 179.18 2k4a s GLY 102 N -4.07 -0.33 -0.29 0.16 0.00 -1.22 -2.60 107.32 98.97 2k4a s GLY 102 Ca -0.08 0.45 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 2k4a s GLY 102 CO 0.81 0.07 0.68 -1.83 0.00 0.00 0.00 173.10 172.83 2k4a s GLU 103 N -2.82 0.61 0.16 2.90 -1.05 0.23 0.52 118.70 119.26 2k4a s GLU 103 Ca 0.13 1.35 0.04 0.00 -0.15 0.00 0.00 54.97 56.34 2k4a s GLU 103 Cb 0.02 0.61 -0.04 0.00 -0.44 0.00 0.00 34.13 34.28 2k4a s GLU 103 CO -0.01 -0.18 0.24 -0.59 0.95 0.00 0.00 175.26 175.67 2k4a s PHE 104 N 2.44 3.36 0.07 4.83 -0.12 0.84 -4.31 117.98 125.10 2k4a s PHE 104 Ca -0.07 0.06 -0.09 0.00 -0.05 0.00 0.00 56.93 56.77 2k4a s PHE 104 Cb -0.09 -1.60 0.00 0.00 -0.63 0.00 0.00 43.02 40.70 2k4a s PHE 104 CO -0.19 0.51 0.19 -1.59 -0.05 0.00 0.00 175.22 174.09 2k4a s LYS 105 N -3.26 0.79 -0.12 1.99 0.00 -1.26 0.14 119.74 118.02 2k4a s LYS 105 Ca 0.33 -0.84 -0.10 0.00 0.00 0.00 0.00 55.97 55.37 2k4a s LYS 105 Cb -0.10 0.32 0.03 0.00 0.00 0.00 0.00 37.83 38.08 2k4a s LYS 105 CO 0.27 -0.24 0.30 0.54 0.00 0.00 0.00 175.35 176.22 2k4a s VAL 106 N -3.37 -0.00 -0.68 1.79 0.11 -1.05 -5.03 120.40 112.16 2k4a s VAL 106 Ca 0.01 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 2k4a s VAL 106 Cb 0.03 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 2k4a s VAL 106 CO -0.08 0.01 1.43 -2.16 -3.33 0.00 0.00 175.10 170.96 2k4a s PRO 107 N 0.32 3.09 0.30 1.54 0.04 -1.26 -3.50 135.00 135.53 2k4a s PRO 107 Ca -0.01 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.15 2k4a s PRO 107 Cb -0.03 -4.21 0.69 0.00 0.04 0.00 0.00 34.50 30.99 2k4a s PRO 107 CO -0.01 -2.23 1.81 0.52 0.04 0.00 0.00 177.00 177.12 2k4a h MET 108 N 11.27 0.81 -0.71 4.56 2.86 -1.82 0.19 114.93 132.08 2k4a h MET 108 Ca -0.27 -0.05 0.21 0.00 -2.06 0.00 0.00 59.70 57.53 2k4a h MET 108 Cb 1.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 2k4a h MET 108 CO 1.25 0.53 0.56 -0.97 1.06 0.00 0.00 176.91 179.34 2k4a h ASN 109 N 0.83 0.00 0.12 1.22 -1.24 -1.56 -0.61 115.58 114.34 2k4a h ASN 109 Ca 0.54 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 57.18 2k4a h ASN 109 Cb 0.75 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.78 2k4a h ASN 109 CO -0.32 0.00 -2.07 0.41 -1.29 0.00 0.00 177.43 174.15 2k4a n THR 110 N -4.14 1.72 -2.13 -3.57 -1.04 0.53 -4.80 114.28 100.85 2k4a n THR 110 Ca 0.14 -0.65 -0.40 0.00 -2.04 0.00 0.00 64.05 61.10 2k4a n THR 110 Cb 0.82 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.66 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 -2.55 3.51 0.82 12.58 1.01 -0.24 -4.97 120.40 130.55 2k4a s VAL 111 Ca -0.24 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2k4a s VAL 111 Cb 0.07 -4.01 0.09 0.00 0.00 0.00 0.00 36.38 32.53 2k4a s VAL 111 CO 0.74 -0.86 1.10 1.51 0.00 0.00 0.00 175.10 177.59 2k4a s ASP 112 N 6.56 4.04 -0.34 3.32 -4.77 -1.26 -4.81 116.67 119.40 2k4a s ASP 112 Ca 0.66 1.83 0.10 0.00 -3.30 0.00 0.00 52.55 51.83 2k4a s ASP 112 Cb -0.14 -2.47 0.45 0.00 -1.09 0.00 0.00 42.92 39.67 2k4a s ASP 112 CO 0.25 -2.33 1.12 2.22 0.70 0.00 0.00 175.17 177.13 2k4a n PHE 113 N -3.71 2.61 -0.02 2.11 -1.74 -1.26 -4.82 117.46 110.62 2k4a n PHE 113 Ca 0.09 -2.60 -0.05 0.00 -0.56 0.00 0.00 57.45 54.33 2k4a n PHE 113 Cb 0.53 -0.24 0.16 0.00 1.52 0.00 0.00 39.48 41.46 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 2.47 0.63 0.00 4.97 0.00 -2.01 -3.46 103.07 105.68 2k4a h GLY 114 Ca 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k4a h GLY 114 CO 0.69 0.48 0.00 1.42 0.00 0.00 0.00 176.54 179.13 2k4a n HIS 115 N -4.12 -0.29 -3.63 5.60 8.25 -1.26 -5.10 115.22 114.67 2k4a n HIS 115 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 2k4a n HIS 115 Cb 0.42 0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.29 0.04 -0.56 1.59 -7.23 -1.26 -3.98 120.40 108.71 2k4a s VAL 116 Ca 0.00 -0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.77 2k4a s VAL 116 Cb 0.00 -0.89 0.14 0.00 0.56 0.00 0.00 36.38 36.20 2k4a s VAL 116 CO 0.00 -0.17 0.43 -0.89 -0.31 0.00 0.00 175.10 174.17 2k4a s THR 117 N -1.90 4.38 -0.20 5.32 2.01 0.60 -4.95 115.64 120.90 2k4a s THR 117 Ca -0.09 -2.09 0.01 0.00 0.31 0.00 0.00 61.69 59.84 2k4a s THR 117 Cb -0.02 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.68 2k4a s THR 117 CO 0.02 -0.84 -0.17 -1.61 -0.69 0.00 0.00 174.62 171.34 2k4a s GLU 118 N 0.94 2.69 0.14 4.92 2.02 -1.26 0.13 118.70 128.27 2k4a s GLU 118 Ca 0.09 -0.93 -0.25 0.00 0.02 0.00 0.00 54.97 53.90 2k4a s GLU 118 Cb -0.23 -2.60 0.08 0.00 0.10 0.00 0.00 34.13 31.48 2k4a s GLU 118 CO -0.02 -0.31 1.03 -1.83 0.02 0.00 0.00 175.26 174.14 2k4a s GLU 119 N 1.27 1.14 -0.66 1.61 -1.05 -0.99 -5.03 118.70 114.98 2k4a s GLU 119 Ca 0.01 -0.67 -0.15 0.00 -0.15 0.00 0.00 54.97 54.01 2k4a s GLU 119 Cb -0.15 0.36 0.17 0.00 -0.44 0.00 0.00 34.13 34.07 2k4a s GLU 119 CO -0.11 -0.53 0.61 -1.58 0.95 0.00 0.00 175.26 174.61 2k4a s TRP 120 N -2.77 3.46 0.22 4.83 0.23 -1.26 -2.83 118.94 120.82 2k4a s TRP 120 Ca 0.16 -1.58 -0.30 0.00 -2.03 0.00 0.00 56.10 52.36 2k4a s TRP 120 Cb -0.01 -3.81 -0.08 0.00 0.03 0.00 0.00 33.47 29.59 2k4a s TRP 120 CO 0.03 -1.01 1.10 0.50 0.96 0.00 0.00 176.95 178.53 2k4a s ARG 121 N 1.02 4.62 0.24 4.98 6.06 -0.25 -4.87 118.95 130.74 2k4a s ARG 121 Ca 0.09 1.75 -0.29 0.00 -2.50 0.00 0.00 55.73 54.78 2k4a s ARG 121 Cb -0.22 -3.24 -0.09 0.00 0.06 0.00 0.00 34.95 31.46 2k4a s ARG 121 CO -0.02 0.14 0.92 0.16 -2.50 0.00 0.00 175.30 174.00 2k4a s ASP 122 N -0.43 7.61 -0.18 -2.12 -4.77 -1.26 0.12 116.67 115.65 2k4a s ASP 122 Ca 0.47 1.92 -0.08 0.00 -3.30 0.00 0.00 52.55 51.56 2k4a s ASP 122 Cb -0.30 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 38.88 2k4a s ASP 122 CO 0.37 0.16 0.09 -0.76 0.70 0.00 0.00 175.17 175.73 2k4a s LEU 123 N -1.21 4.01 -0.11 2.11 1.43 -0.11 -4.74 118.68 120.06 2k4a s LEU 123 Ca 0.41 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2k4a s LEU 123 Cb -0.25 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2k4a s LEU 123 CO 0.31 0.21 -0.15 -1.58 0.23 0.00 0.00 176.35 175.38 2k4a s GLN 124 N 0.13 3.21 0.58 1.70 -0.44 -1.26 -1.21 119.66 122.37 2k4a s GLN 124 Ca 0.07 -0.72 -0.19 0.00 -2.50 0.00 0.00 55.36 52.02 2k4a s GLN 124 Cb -0.12 -2.54 -0.04 0.00 -1.64 0.00 0.00 33.01 28.67 2k4a s GLN 124 CO -0.00 0.26 1.18 -1.12 0.50 0.00 0.00 175.29 176.11 2k4a s SER 125 N 0.20 5.36 0.14 6.67 0.01 -1.26 0.78 113.70 125.60 2k4a s SER 125 Ca -0.09 2.30 0.08 0.00 1.31 0.00 0.00 55.95 59.55 2k4a s SER 125 Cb -0.15 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2k4a s SER 125 CO 0.05 -1.48 -0.19 0.00 0.41 0.00 0.00 173.24 172.04 2k4a s ALA 126 N -1.68 1.87 -0.50 1.44 0.00 -1.07 -4.68 121.76 117.14 2k4a s ALA 126 Ca 0.75 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2k4a s ALA 126 Cb -0.28 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 22.78 2k4a s ALA 126 CO 0.31 0.27 0.27 -1.21 0.00 0.00 0.00 175.76 175.40 2k4a s GLU 127 N -2.43 1.75 0.00 0.00 2.02 -1.26 -4.66 118.70 114.12 2k4a s GLU 127 Ca 0.11 -2.44 0.16 0.00 0.02 0.00 0.00 54.97 52.83 2k4a s GLU 127 Cb -0.07 -2.95 0.13 0.00 0.10 0.00 0.00 34.13 31.34 2k4a s GLU 127 CO 0.05 -1.14 1.02 1.63 0.02 0.00 0.00 175.26 176.84