#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3y s VAL 2 N 0.00 3.21 -0.20 2.03 -7.23 -1.26 -5.08 120.40 111.88 2k3y s VAL 2 Ca 0.00 0.40 -0.24 0.00 -1.81 0.00 0.00 61.98 60.33 2k3y s VAL 2 Cb 0.00 -2.85 0.06 0.00 0.56 0.00 0.00 36.38 34.15 2k3y s VAL 2 CO 0.00 -0.50 0.65 -0.62 -0.31 0.00 0.00 175.10 174.32 2k3y s ASP 3 N -3.28 -0.66 -0.54 4.85 2.15 -1.26 -4.95 116.67 112.99 2k3y s ASP 3 Ca 0.62 1.15 0.00 0.00 0.43 0.00 0.00 52.55 54.75 2k3y s ASP 3 Cb -0.18 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.58 2k3y s ASP 3 CO 0.55 -0.32 0.00 -0.11 -0.17 0.00 0.00 175.17 175.13 2k3y n LEU 4 N 2.29 0.31 0.04 -1.34 7.94 -1.26 -4.83 117.00 120.15 2k3y n LEU 4 Ca -0.15 0.13 -0.12 0.00 -1.11 0.00 0.00 56.01 54.76 2k3y n LEU 4 Cb 0.56 -2.42 -0.09 0.00 0.53 0.00 0.00 43.42 42.00 2k3y n LEU 4 CO 0.10 -0.94 0.46 -0.08 -1.11 0.00 0.00 177.39 175.82 2k3y h GLU 5 N 0.00 -0.16 -1.27 1.96 4.81 -1.97 -3.44 114.58 114.50 2k3y h GLU 5 Ca -0.10 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2k3y h GLU 5 Cb 1.01 0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.20 2k3y h GLU 5 CO 0.15 0.31 -0.30 -1.14 -0.73 0.00 0.00 179.01 177.30 2k3y s GLN 6 N -3.63 0.53 1.08 1.92 0.74 -1.26 -5.08 119.66 113.95 2k3y s GLN 6 Ca -0.14 0.97 -0.17 0.00 0.05 0.00 0.00 55.36 56.07 2k3y s GLN 6 Cb 0.01 0.41 0.24 0.00 1.10 0.00 0.00 33.01 34.76 2k3y s GLN 6 CO 0.54 -0.58 1.19 -1.21 -0.55 0.00 0.00 175.29 174.68 2k3y s GLU 7 N 2.80 -0.25 -1.04 1.67 0.41 -1.26 -4.56 118.70 116.47 2k3y s GLU 7 Ca 0.17 -0.13 -0.26 0.00 -0.41 0.00 0.00 54.97 54.34 2k3y s GLU 7 Cb -0.15 -1.72 -0.18 0.00 -1.78 0.00 0.00 34.13 30.31 2k3y s GLU 7 CO -0.20 -3.06 2.13 -0.59 -0.49 0.00 0.00 175.26 173.05 2k3y s PHE 8 N -3.34 1.37 0.00 1.61 -0.12 -1.26 -4.73 117.98 111.50 2k3y s PHE 8 Ca 0.71 1.84 -0.30 0.00 -0.05 0.00 0.00 56.93 59.13 2k3y s PHE 8 Cb -0.08 -3.50 -0.04 0.00 -0.63 0.00 0.00 43.02 38.76 2k3y s PHE 8 CO 0.55 -0.98 1.10 0.00 -0.05 0.00 0.00 175.22 175.84 2k3y s ALA 9 N 15.21 3.33 -1.72 1.99 0.00 -1.26 -4.91 121.76 134.40 2k3y s ALA 9 Ca 0.80 0.65 0.06 0.00 0.00 0.00 0.00 51.96 53.47 2k3y s ALA 9 Cb -0.06 -3.42 0.33 0.00 0.00 0.00 0.00 23.12 19.98 2k3y s ALA 9 CO 0.14 -0.44 0.93 1.28 0.00 0.00 0.00 175.76 177.68 2k3y n LEU 10 N 4.26 0.00 -1.19 0.00 4.32 -1.26 -1.11 117.00 122.02 2k3y n LEU 10 Ca 0.08 0.14 -0.02 0.00 -0.02 0.00 0.00 56.01 56.19 2k3y n LEU 10 Cb 0.48 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.11 2k3y n LEU 10 CO 0.54 -0.11 0.22 0.61 -1.22 0.00 0.00 177.39 177.42 2k3y n GLY 11 N -0.70 0.73 0.00 -0.72 0.00 -1.26 -3.81 105.19 99.43 2k3y n GLY 11 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2k3y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 12 N 0.22 -0.87 3.94 -0.02 0.00 -0.26 -4.96 105.19 103.24 2k3y n GLY 12 Ca -0.12 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 2k3y n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3y s ARG 13 N -1.76 3.47 0.11 1.61 0.52 -1.26 -4.12 118.95 117.52 2k3y s ARG 13 Ca 0.00 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2k3y s ARG 13 Cb 0.00 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 2k3y s ARG 13 CO 0.00 0.42 -0.10 0.14 0.02 0.00 0.00 175.30 175.78 2k3y s VAL 14 N -1.90 0.97 0.00 3.52 -7.23 -0.92 -0.62 120.40 114.22 2k3y s VAL 14 Ca 0.36 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2k3y s VAL 14 Cb -0.10 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2k3y s VAL 14 CO 0.30 -0.61 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.55 2k3y s LEU 15 N -2.61 2.06 -0.09 1.32 1.43 0.15 -0.35 118.68 120.60 2k3y s LEU 15 Ca 0.08 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2k3y s LEU 15 Cb -0.01 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.41 2k3y s LEU 15 CO -0.00 0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.61 2k3y s ALA 16 N -0.48 1.49 0.09 4.21 0.00 -0.61 -1.10 121.76 125.36 2k3y s ALA 16 Ca 0.06 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 2k3y s ALA 16 Cb -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 22.26 2k3y s ALA 16 CO -0.00 -0.01 0.70 0.12 0.00 0.00 0.00 175.76 176.57 2k3y s PHE 17 N 0.89 3.81 0.00 0.00 5.36 -0.53 -1.40 117.98 126.11 2k3y s PHE 17 Ca -0.10 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 2k3y s PHE 17 Cb -0.15 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 2k3y s PHE 17 CO 0.01 0.46 0.00 0.72 -1.46 0.00 0.00 175.22 174.94 2k3y n HIS 18 N 2.06 0.00 0.00 10.12 8.25 -0.06 -4.83 115.22 130.76 2k3y n HIS 18 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2k3y n HIS 18 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2k3y n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3y n GLY 19 N 1.21 2.08 0.31 -1.41 0.00 -1.26 -4.81 105.19 101.29 2k3y n GLY 19 Ca 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 2k3y n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y h PRO 20 N 0.00 1.02 0.00 1.61 0.13 -1.96 -3.48 132.00 129.31 2k3y h PRO 20 Ca 0.00 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2k3y h PRO 20 Cb 0.00 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 2k3y h PRO 20 CO 0.00 0.97 -0.00 -0.11 -0.23 0.00 0.00 178.00 178.63 2k3y n LEU 21 N -4.20 0.00 -3.71 1.56 7.94 -1.26 -3.68 117.00 113.65 2k3y n LEU 21 Ca 0.03 -0.52 -0.14 0.00 -1.11 0.00 0.00 56.01 54.28 2k3y n LEU 21 Cb 0.31 0.55 -0.08 0.00 0.53 0.00 0.00 43.42 44.74 2k3y n LEU 21 CO 0.43 -0.13 0.10 -0.32 -1.11 0.00 0.00 177.39 176.36 2k3y s MET 22 N -2.11 0.77 0.13 1.96 -2.45 -1.26 -0.88 119.30 115.46 2k3y s MET 22 Ca 0.05 -0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.33 2k3y s MET 22 Cb -0.00 0.34 -0.04 0.00 1.25 0.00 0.00 34.83 36.38 2k3y s MET 22 CO 0.03 -0.22 0.02 0.71 1.05 0.00 0.00 175.02 176.61 2k3y s TYR 23 N -1.50 0.95 0.19 4.11 2.02 -0.49 -4.96 117.35 117.68 2k3y s TYR 23 Ca -0.12 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.15 2k3y s TYR 23 Cb -0.04 -0.55 -0.08 0.00 -0.40 0.00 0.00 41.96 40.90 2k3y s TYR 23 CO 0.04 -0.38 0.98 -1.21 -1.57 0.00 0.00 175.55 173.41 2k3y s GLU 24 N -3.98 4.76 0.22 -0.62 8.01 -1.26 -1.57 118.70 124.26 2k3y s GLU 24 Ca 0.22 1.53 0.03 0.00 0.01 0.00 0.00 54.97 56.75 2k3y s GLU 24 Cb 0.07 -3.30 -0.05 0.00 -4.31 0.00 0.00 34.13 26.53 2k3y s GLU 24 CO 0.01 0.34 0.02 0.00 0.01 0.00 0.00 175.26 175.64 2k3y s ALA 25 N -0.68 1.70 -0.35 5.21 0.00 0.52 -0.74 121.76 127.42 2k3y s ALA 25 Ca 0.44 -1.75 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2k3y s ALA 25 Cb -0.26 0.61 0.16 0.00 0.00 0.00 0.00 23.12 23.64 2k3y s ALA 25 CO 0.32 -0.31 0.46 0.21 0.00 0.00 0.00 175.76 176.44 2k3y s LYS 26 N -3.91 0.61 0.68 0.00 2.20 -0.62 -2.17 119.74 116.54 2k3y s LYS 26 Ca 0.29 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.36 2k3y s LYS 26 Cb 0.06 -0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 2k3y s LYS 26 CO 0.09 -1.14 0.73 -0.89 -0.36 0.00 0.00 175.35 173.77 2k3y n ILE 27 N 4.65 2.48 0.00 5.43 5.41 -1.26 -1.34 119.36 134.73 2k3y n ILE 27 Ca 0.08 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.41 2k3y n ILE 27 Cb 0.50 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 2k3y n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3y n LEU 28 N -0.69 0.00 -4.09 1.39 -0.00 -0.74 -4.35 117.00 108.52 2k3y n LEU 28 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.90 2k3y n LEU 28 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 2k3y n LEU 28 CO 0.50 0.00 -0.47 -0.75 -0.00 0.00 0.00 177.39 176.66 2k3y s LYS 29 N -1.00 1.31 0.17 1.47 2.20 -1.22 -1.83 119.74 120.85 2k3y s LYS 29 Ca 0.00 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 2k3y s LYS 29 Cb 0.00 -1.20 -0.05 0.00 -1.51 0.00 0.00 37.83 35.07 2k3y s LYS 29 CO 0.00 0.23 0.01 0.96 -0.36 0.00 0.00 175.35 176.19 2k3y s ILE 30 N -0.04 0.64 0.03 5.43 -0.00 0.41 -0.40 121.20 127.25 2k3y s ILE 30 Ca -0.00 -1.98 -0.02 0.00 -0.00 0.00 0.00 60.65 58.65 2k3y s ILE 30 Cb -0.09 -2.13 -0.02 0.00 -0.00 0.00 0.00 42.46 40.22 2k3y s ILE 30 CO 0.01 -0.46 0.02 0.86 -0.00 0.00 0.00 174.94 175.37 2k3y s TRP 31 N -3.69 0.27 0.05 1.37 -0.11 0.16 -0.79 118.94 116.21 2k3y s TRP 31 Ca 0.24 -0.58 0.03 0.00 1.22 0.00 0.00 56.10 57.02 2k3y s TRP 31 Cb 0.06 -0.20 -0.03 0.00 -1.50 0.00 0.00 33.47 31.81 2k3y s TRP 31 CO 0.04 -0.27 -0.09 0.16 -4.62 0.00 0.00 176.95 172.17 2k3y s ASP 32 N -1.86 1.00 0.28 5.86 1.47 -1.10 -1.58 116.67 120.74 2k3y s ASP 32 Ca -0.09 -0.58 0.24 0.00 1.18 0.00 0.00 52.55 53.30 2k3y s ASP 32 Cb -0.05 0.02 0.45 0.00 -0.34 0.00 0.00 42.92 43.01 2k3y s ASP 32 CO -0.03 -0.19 1.54 1.55 0.68 0.00 0.00 175.17 178.72 2k3y h PRO 33 N 4.40 0.00 -0.66 2.11 0.13 -1.70 -2.91 132.00 133.37 2k3y h PRO 33 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 2k3y h PRO 33 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2k3y h PRO 33 CO 0.41 0.00 0.31 0.77 -0.23 0.00 0.00 178.00 179.26 2k3y h SER 34 N 0.00 0.85 0.00 1.44 0.02 -1.94 -3.12 113.55 110.80 2k3y h SER 34 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2k3y h SER 34 Cb 0.87 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2k3y h SER 34 CO 0.00 0.72 0.00 -1.20 -1.14 0.00 0.00 176.83 175.21 2k3y n SER 35 N -4.34 0.90 -3.93 3.07 7.64 -1.26 -5.04 113.62 110.67 2k3y n SER 35 Ca 0.06 -1.34 -0.33 0.00 1.01 0.00 0.00 58.87 58.27 2k3y n SER 35 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3y n LYS 36 N -0.17 -1.57 -3.99 1.43 5.02 -1.10 -4.98 118.16 112.80 2k3y n LYS 36 Ca 0.00 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.50 2k3y n LYS 36 Cb 0.26 -3.79 -0.06 0.00 -0.02 0.00 0.00 35.03 31.42 2k3y n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3y s MET 37 N -6.66 1.48 0.45 1.97 0.23 -1.20 -4.79 119.30 110.77 2k3y s MET 37 Ca 0.29 -1.25 0.06 0.00 -1.03 0.00 0.00 55.69 53.76 2k3y s MET 37 Cb -0.13 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 2k3y s MET 37 CO 0.91 -0.61 0.19 1.52 -2.03 0.00 0.00 175.02 175.00 2k3y s TYR 38 N -4.01 2.33 0.01 3.16 1.13 -1.26 -2.69 117.35 116.02 2k3y s TYR 38 Ca 0.22 -0.69 -0.08 0.00 -1.41 0.00 0.00 57.07 55.12 2k3y s TYR 38 Cb 0.00 -1.90 0.00 0.00 -1.10 0.00 0.00 41.96 38.97 2k3y s TYR 38 CO 0.08 0.09 0.15 0.95 -2.51 0.00 0.00 175.55 174.31 2k3y s THR 39 N -2.68 0.09 0.02 -3.49 -4.23 0.03 -4.01 115.64 101.38 2k3y s THR 39 Ca 0.34 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 60.01 2k3y s THR 39 Cb 0.03 -0.58 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 2k3y s THR 39 CO 0.19 -0.42 0.13 -0.55 -0.54 0.00 0.00 174.62 173.43 2k3y s SER 40 N -1.60 0.08 0.01 3.99 0.15 -1.26 -0.45 113.70 114.63 2k3y s SER 40 Ca -0.12 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.18 2k3y s SER 40 Cb -0.06 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2k3y s SER 40 CO 0.00 -0.44 0.01 0.27 1.20 0.00 0.00 173.24 174.29 2k3y s ILE 41 N -1.91 0.10 -1.43 6.45 -5.25 -0.76 -1.21 121.20 117.18 2k3y s ILE 41 Ca -0.11 -0.79 -0.14 0.00 -0.99 0.00 0.00 60.65 58.63 2k3y s ILE 41 Cb -0.05 -0.28 -0.00 0.00 2.95 0.00 0.00 42.46 45.08 2k3y s ILE 41 CO -0.01 -0.43 2.36 -0.81 -1.79 0.00 0.00 174.94 174.26 2k3y n PRO 42 N 1.69 2.92 0.09 0.37 -0.04 -1.26 -4.62 135.00 134.15 2k3y n PRO 42 Ca -0.23 -2.43 -0.13 0.00 -0.04 0.00 0.00 63.50 60.67 2k3y n PRO 42 Cb 0.55 -3.14 -0.07 0.00 -0.04 0.00 0.00 33.50 30.80 2k3y n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3y h ASN 43 N 5.93 -0.12 -4.47 3.54 -0.73 -1.88 -3.48 115.58 114.38 2k3y h ASN 43 Ca 0.62 -0.02 0.13 0.00 1.87 0.00 0.00 56.30 58.91 2k3y h ASN 43 Cb 0.55 0.03 -0.17 0.00 0.27 0.00 0.00 38.32 39.00 2k3y h ASN 43 CO 1.86 -0.06 0.56 -0.62 -0.37 0.00 0.00 177.43 178.80 2k3y s ASP 44 N -5.09 -0.33 0.34 1.15 2.15 -1.26 -5.09 116.67 108.54 2k3y s ASP 44 Ca -0.14 0.08 -0.28 0.00 0.43 0.00 0.00 52.55 52.64 2k3y s ASP 44 Cb 0.05 0.33 -0.10 0.00 -0.30 0.00 0.00 42.92 42.90 2k3y s ASP 44 CO 0.65 -0.50 1.27 -1.59 -0.17 0.00 0.00 175.17 174.84 2k3y s LYS 45 N -2.60 4.29 1.17 4.34 -2.85 -1.26 -4.53 119.74 118.31 2k3y s LYS 45 Ca 0.04 2.13 -0.13 0.00 -1.00 0.00 0.00 55.97 57.01 2k3y s LYS 45 Cb -0.01 -3.00 0.29 0.00 -2.06 0.00 0.00 37.83 33.05 2k3y s LYS 45 CO -0.06 -0.21 1.03 -2.14 0.10 0.00 0.00 175.35 174.06 2k3y s PRO 46 N -1.88 -1.00 0.00 1.78 0.02 -1.26 -4.91 135.00 127.75 2k3y s PRO 46 Ca 0.50 0.74 0.10 0.00 0.02 0.00 0.00 61.00 62.37 2k3y s PRO 46 Cb -0.38 -1.55 0.61 0.00 0.02 0.00 0.00 34.50 33.20 2k3y s PRO 46 CO 0.50 -3.75 1.23 0.41 -0.33 0.00 0.00 177.00 175.05 2k3y n GLY 47 N 0.66 -0.79 0.99 0.52 0.00 -1.26 -3.52 105.19 101.79 2k3y n GLY 47 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2k3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 48 N 0.41 0.58 3.05 -0.02 0.00 -1.26 -4.80 105.19 103.15 2k3y n GLY 48 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2k3y n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 49 N -0.99 0.27 0.05 1.61 0.01 -1.23 -5.10 113.70 108.31 2k3y s SER 49 Ca 0.03 -0.61 -0.32 0.00 1.31 0.00 0.00 55.95 56.36 2k3y s SER 49 Cb 0.03 0.16 -0.18 0.00 0.21 0.00 0.00 66.02 66.24 2k3y s SER 49 CO -0.01 -0.43 1.48 0.28 0.41 0.00 0.00 173.24 174.96 2k3y h SER 50 N 4.00 -0.81 -4.32 2.44 0.02 -1.99 -3.40 113.55 109.48 2k3y h SER 50 Ca -0.33 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 60.85 2k3y h SER 50 Cb 1.19 0.21 -0.18 0.00 0.14 0.00 0.00 62.40 63.75 2k3y h SER 50 CO 0.49 -0.53 0.73 0.00 -1.14 0.00 0.00 176.83 176.39 2k3y s GLN 51 N -5.65 0.43 0.59 3.45 -2.07 -1.26 -4.85 119.66 110.31 2k3y s GLN 51 Ca -0.17 -0.15 -0.16 0.00 -1.82 0.00 0.00 55.36 53.06 2k3y s GLN 51 Cb 0.03 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 2k3y s GLN 51 CO 0.57 -0.19 1.06 0.00 -1.32 0.00 0.00 175.29 175.41 2k3y s ALA 52 N -2.54 2.75 -0.50 2.60 0.00 -1.26 -5.00 121.76 117.81 2k3y s ALA 52 Ca 0.08 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.46 2k3y s ALA 52 Cb -0.01 -3.23 0.15 0.00 0.00 0.00 0.00 23.12 20.03 2k3y s ALA 52 CO -0.06 -0.80 0.33 0.95 0.00 0.00 0.00 175.76 176.18 2k3y s THR 53 N -2.47 1.51 0.00 0.00 -4.23 -1.26 -4.72 115.64 104.47 2k3y s THR 53 Ca 0.63 -3.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.13 2k3y s THR 53 Cb -0.16 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2k3y s THR 53 CO 0.37 -1.01 0.00 0.29 -0.54 0.00 0.00 174.62 173.73 2k3y n LYS 54 N 2.97 0.00 -1.73 3.99 5.02 -1.26 -4.07 118.16 123.08 2k3y n LYS 54 Ca 0.17 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 2k3y n LYS 54 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.36 2k3y n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k3y s GLU 55 N 0.00 2.38 0.15 1.97 2.02 -1.26 -4.09 118.70 119.87 2k3y s GLU 55 Ca 0.00 1.21 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 2k3y s GLU 55 Cb 0.00 -4.49 -0.07 0.00 0.10 0.00 0.00 34.13 29.66 2k3y s GLU 55 CO 0.00 -2.97 1.15 0.42 0.02 0.00 0.00 175.26 173.87 2k3y s ILE 56 N 10.77 3.84 0.41 -1.63 1.01 -0.35 -5.00 121.20 130.25 2k3y s ILE 56 Ca 0.88 1.51 -0.25 0.00 0.00 0.00 0.00 60.65 62.78 2k3y s ILE 56 Cb -0.17 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2k3y s ILE 56 CO 0.25 0.22 1.24 -0.54 0.00 0.00 0.00 174.94 176.12 2k3y s LYS 57 N 0.00 3.97 0.16 2.79 1.02 -1.26 -4.09 119.74 122.33 2k3y s LYS 57 Ca 0.52 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 58.23 2k3y s LYS 57 Cb -0.30 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.23 2k3y s LYS 57 CO 0.34 -0.44 1.13 -1.25 -0.92 0.00 0.00 175.35 174.21 2k3y s PRO 58 N -2.29 4.55 0.20 -1.68 0.04 -1.26 -4.89 135.00 129.67 2k3y s PRO 58 Ca 0.57 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2k3y s PRO 58 Cb -0.35 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2k3y s PRO 58 CO 0.44 -0.00 0.08 -0.65 0.04 0.00 0.00 177.00 176.90 2k3y s GLN 59 N -0.10 1.18 0.76 4.56 -0.21 -1.26 -4.98 119.66 119.61 2k3y s GLN 59 Ca 0.51 -1.61 -0.15 0.00 0.02 0.00 0.00 55.36 54.14 2k3y s GLN 59 Cb -0.30 0.00 0.05 0.00 1.00 0.00 0.00 33.01 33.77 2k3y s GLN 59 CO 0.34 -0.28 1.22 0.21 -2.12 0.00 0.00 175.29 174.66 2k3y s LYS 60 N -4.05 1.95 0.14 2.91 2.47 -1.26 -4.07 119.74 117.83 2k3y s LYS 60 Ca 0.32 1.81 0.05 0.00 -1.56 0.00 0.00 55.97 56.60 2k3y s LYS 60 Cb 0.07 -1.80 -0.04 0.00 -1.46 0.00 0.00 37.83 34.60 2k3y s LYS 60 CO 0.09 -1.99 0.06 -1.17 0.16 0.00 0.00 175.35 172.49 2k3y s LEU 61 N -5.30 3.58 0.00 5.43 0.20 -1.26 -4.82 118.68 116.51 2k3y s LEU 61 Ca 0.75 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 55.36 2k3y s LEU 61 Cb -0.30 -2.24 0.00 0.00 -0.43 0.00 0.00 46.19 43.22 2k3y s LEU 61 CO 0.47 0.11 0.00 0.61 -0.29 0.00 0.00 176.35 177.25 2k3y n GLY 62 N -0.01 1.92 0.12 7.98 0.00 -1.26 -5.02 105.19 108.92 2k3y n GLY 62 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k3y n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3y h GLU 63 N 0.00 0.00 0.00 1.61 5.08 -2.03 -3.44 114.58 115.80 2k3y h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3y h GLU 63 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k3y h GLU 63 CO 0.00 0.62 0.00 -3.47 -1.00 0.00 0.00 179.01 175.16 2k3y n ASP 64 N -3.24 0.00 -3.85 1.42 2.03 -1.26 -5.13 116.55 106.52 2k3y n ASP 64 Ca 0.01 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.02 2k3y n ASP 64 Cb 0.79 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.41 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3y s GLU 65 N -1.00 -0.31 0.00 -0.67 1.03 -1.26 -5.13 118.70 111.36 2k3y s GLU 65 Ca 0.00 -0.40 -0.22 0.00 0.03 0.00 0.00 54.97 54.38 2k3y s GLU 65 Cb 0.00 -1.73 0.05 0.00 -0.80 0.00 0.00 34.13 31.64 2k3y s GLU 65 CO 0.00 -3.05 0.48 -1.12 -1.33 0.00 0.00 175.26 170.24 2k3y s SER 66 N -4.62 -0.40 -0.03 0.83 0.01 -1.26 -4.39 113.70 103.84 2k3y s SER 66 Ca 0.75 0.27 0.01 0.00 1.31 0.00 0.00 55.95 58.29 2k3y s SER 66 Cb -0.04 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.65 2k3y s SER 66 CO 0.54 -0.60 -0.02 0.27 0.41 0.00 0.00 173.24 173.85 2k3y s ILE 67 N -1.77 0.32 0.79 1.44 -4.36 -1.26 -4.77 121.20 111.59 2k3y s ILE 67 Ca -0.09 -0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.18 2k3y s ILE 67 Cb -0.02 -0.38 0.07 0.00 1.25 0.00 0.00 42.46 43.38 2k3y s ILE 67 CO 0.03 0.17 1.10 -2.16 0.24 0.00 0.00 174.94 174.32 2k3y s PRO 68 N 0.89 2.07 0.66 0.37 0.04 -1.26 -4.82 135.00 132.94 2k3y s PRO 68 Ca -0.10 1.25 0.33 0.00 0.04 0.00 0.00 61.00 62.52 2k3y s PRO 68 Cb -0.13 -1.87 1.80 0.00 0.04 0.00 0.00 34.50 34.34 2k3y s PRO 68 CO -0.01 -1.79 2.03 0.93 0.04 0.00 0.00 177.00 178.20 2k3y h GLU 69 N -1.19 0.00 -0.74 4.56 5.08 -2.01 -1.14 114.58 119.13 2k3y h GLU 69 Ca -0.44 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 2k3y h GLU 69 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2k3y h GLU 69 CO 0.50 0.00 0.49 0.93 -1.00 0.00 0.00 179.01 179.93 2k3y h GLU 70 N 0.00 0.86 -0.00 2.33 3.07 -2.02 -3.25 114.58 115.57 2k3y h GLU 70 Ca 0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2k3y h GLU 70 Cb 0.54 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2k3y h GLU 70 CO -0.00 0.57 -0.14 0.44 -1.40 0.00 0.00 179.01 178.48 2k3y n ILE 71 N -4.46 0.00 -0.07 3.13 -5.35 -0.46 -4.42 119.36 107.73 2k3y n ILE 71 Ca 0.10 -0.43 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 2k3y n ILE 71 Cb 0.14 1.01 -0.01 0.00 -1.74 0.00 0.00 39.64 39.03 2k3y n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3y h ILE 72 N 0.06 0.98 -0.14 7.28 1.08 -1.52 -3.20 117.51 122.05 2k3y h ILE 72 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2k3y h ILE 72 Cb 0.08 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 2k3y h ILE 72 CO 0.00 0.05 0.00 -0.46 -0.69 0.00 0.00 178.15 177.05 2k3y n ASN 73 N -4.99 0.99 -2.14 1.72 0.23 -1.23 -3.93 115.26 105.91 2k3y n ASN 73 Ca -0.01 -2.04 -0.08 0.00 -0.53 0.00 0.00 54.58 51.92 2k3y n ASN 73 Cb 0.07 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 2k3y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3y n GLY 74 N 0.60 2.13 3.72 4.83 0.00 -1.21 -4.76 105.19 110.50 2k3y n GLY 74 Ca 0.05 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2k3y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3y n LYS 75 N -0.33 2.32 -4.03 1.61 4.76 -1.26 -4.05 118.16 117.18 2k3y n LYS 75 Ca -0.02 0.81 -0.08 0.00 -2.87 0.00 0.00 58.31 56.16 2k3y n LYS 75 Cb 0.35 -2.45 -0.10 0.00 -1.84 0.00 0.00 35.03 30.98 2k3y n LYS 75 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k3y s SER 76 N -0.20 0.36 -0.13 4.39 0.15 -0.61 -3.87 113.70 113.79 2k3y s SER 76 Ca 0.55 -0.76 -0.04 0.00 0.70 0.00 0.00 55.95 56.40 2k3y s SER 76 Cb -0.54 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.98 2k3y s SER 76 CO 0.62 -0.47 0.08 -0.36 1.20 0.00 0.00 173.24 174.31 2k3y s PHE 77 N -2.84 0.13 -0.10 3.44 0.40 -0.91 -0.66 117.98 117.45 2k3y s PHE 77 Ca -0.03 -0.10 -0.30 0.00 -0.60 0.00 0.00 56.93 55.90 2k3y s PHE 77 Cb 0.00 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 2k3y s PHE 77 CO -0.06 -0.40 1.09 0.12 0.70 0.00 0.00 175.22 176.67 2k3y s PHE 78 N 2.16 3.35 0.09 0.36 5.36 0.46 -1.64 117.98 128.12 2k3y s PHE 78 Ca 0.03 1.42 0.02 0.00 -0.96 0.00 0.00 56.93 57.44 2k3y s PHE 78 Cb -0.15 -3.29 -0.04 0.00 -0.34 0.00 0.00 43.02 39.20 2k3y s PHE 78 CO -0.07 -0.71 -0.08 0.96 -1.46 0.00 0.00 175.22 173.87 2k3y s ILE 79 N 2.26 0.75 -0.28 3.12 -4.36 -0.93 -1.80 121.20 119.97 2k3y s ILE 79 Ca 0.51 -1.75 -0.09 0.00 -0.26 0.00 0.00 60.65 59.06 2k3y s ILE 79 Cb -0.20 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 2k3y s ILE 79 CO 0.18 -0.72 0.13 -2.28 0.24 0.00 0.00 174.94 172.49 2k3y s HIS 80 N -3.00 3.16 -0.20 1.37 5.65 -0.45 -3.44 115.29 118.38 2k3y s HIS 80 Ca 0.07 -0.33 -0.29 0.00 0.25 0.00 0.00 55.06 54.76 2k3y s HIS 80 Cb 0.01 -2.32 -0.02 0.00 -1.18 0.00 0.00 32.58 29.07 2k3y s HIS 80 CO -0.03 -0.34 1.38 0.71 -0.65 0.00 0.00 174.74 175.81 2k3y s TYR 81 N 1.65 2.57 0.31 3.88 2.02 -1.26 -1.59 117.35 124.93 2k3y s TYR 81 Ca 0.06 0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 57.35 2k3y s TYR 81 Cb -0.16 -3.74 -0.09 0.00 -0.40 0.00 0.00 41.96 37.56 2k3y s TYR 81 CO 0.07 -2.19 0.81 -0.65 -1.57 0.00 0.00 175.55 172.01 2k3y s GLN 82 N 3.94 4.24 0.00 -0.62 -0.21 0.08 -2.90 119.66 124.19 2k3y s GLN 82 Ca 0.60 0.95 0.00 0.00 0.02 0.00 0.00 55.36 56.93 2k3y s GLN 82 Cb -0.22 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.17 2k3y s GLN 82 CO 0.21 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 2k3y n GLY 83 N 0.14 0.20 3.50 3.09 0.00 -1.26 -4.58 105.19 106.28 2k3y n GLY 83 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2k3y n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3y s TRP 84 N -1.45 1.86 0.80 1.61 0.52 -1.14 -5.15 118.94 115.98 2k3y s TRP 84 Ca 0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 56.10 54.88 2k3y s TRP 84 Cb 0.00 -1.23 0.07 0.00 -1.15 0.00 0.00 33.47 31.16 2k3y s TRP 84 CO 0.00 -0.14 1.09 0.15 0.02 0.00 0.00 176.95 178.07 2k3y s LYS 85 N -3.80 2.08 0.58 4.98 1.02 -1.26 -4.89 119.74 118.44 2k3y s LYS 85 Ca 0.28 0.91 0.34 0.00 0.02 0.00 0.00 55.97 57.52 2k3y s LYS 85 Cb 0.05 -1.90 1.73 0.00 -0.52 0.00 0.00 37.83 37.20 2k3y s LYS 85 CO 0.14 -1.69 2.14 0.77 -0.92 0.00 0.00 175.35 175.79 2k3y h SER 86 N -1.15 0.00 -0.43 2.83 0.02 -1.91 -3.11 113.55 109.80 2k3y h SER 86 Ca -0.46 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.59 2k3y h SER 86 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2k3y h SER 86 CO 0.55 0.05 0.30 0.28 -1.14 0.00 0.00 176.83 176.87 2k3y h SER 87 N 0.00 0.10 -0.26 3.07 0.02 -1.94 -1.41 113.55 113.13 2k3y h SER 87 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3y h SER 87 Cb 0.28 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k3y h SER 87 CO 0.01 0.06 0.00 0.79 -1.14 0.00 0.00 176.83 176.55 2k3y n TRP 88 N -4.44 0.33 -1.90 3.45 7.02 -1.18 -4.83 117.44 115.89 2k3y n TRP 88 Ca 0.07 -0.17 -0.41 0.00 -1.02 0.00 0.00 57.50 55.97 2k3y n TRP 88 Cb 0.42 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 2k3y n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3y s ASP 89 N -1.34 5.57 0.20 -0.99 1.01 -0.53 -4.64 116.67 115.94 2k3y s ASP 89 Ca 0.29 1.20 -0.17 0.00 0.71 0.00 0.00 52.55 54.58 2k3y s ASP 89 Cb 0.16 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.59 2k3y s ASP 89 CO 0.23 -1.98 0.53 -0.70 0.21 0.00 0.00 175.17 173.45 2k3y s GLU 90 N 6.27 1.39 0.15 8.23 2.56 -1.22 -4.99 118.70 131.09 2k3y s GLU 90 Ca 0.83 -0.87 -0.06 0.00 0.00 0.00 0.00 54.97 54.87 2k3y s GLU 90 Cb -0.22 0.52 -0.06 0.00 2.00 0.00 0.00 34.13 36.38 2k3y s GLU 90 CO 0.31 -0.59 0.40 -1.58 -0.56 0.00 0.00 175.26 173.24 2k3y s TRP 91 N -3.88 3.47 0.11 5.30 0.52 -1.26 -2.18 118.94 121.03 2k3y s TRP 91 Ca 0.09 0.61 0.07 0.00 0.02 0.00 0.00 56.10 56.90 2k3y s TRP 91 Cb -0.01 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2k3y s TRP 91 CO -0.03 0.41 -0.18 0.14 0.02 0.00 0.00 176.95 177.31 2k3y s VAL 92 N -1.67 1.59 0.45 4.03 -7.23 -0.65 -4.91 120.40 112.01 2k3y s VAL 92 Ca 0.42 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 2k3y s VAL 92 Cb -0.12 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2k3y s VAL 92 CO 0.24 -0.19 0.76 -0.83 -0.31 0.00 0.00 175.10 174.77 2k3y s GLY 93 N -2.14 1.60 0.00 2.32 0.00 -1.26 -2.13 107.32 105.71 2k3y s GLY 93 Ca 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.36 2k3y s GLY 93 CO 0.04 -0.30 0.65 2.98 0.00 0.00 0.00 173.10 176.47 2k3y n TYR 94 N -1.98 0.00 0.22 1.90 9.36 -1.25 -0.90 117.16 124.50 2k3y n TYR 94 Ca 0.01 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.34 2k3y n TYR 94 Cb 0.55 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.29 2k3y n TYR 94 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2k3y h ASP 95 N 0.00 0.00 0.00 2.98 3.58 -1.93 -3.41 116.42 117.64 2k3y h ASP 95 Ca 0.00 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 2k3y h ASP 95 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2k3y h ASP 95 CO 0.00 0.03 -1.21 0.54 -2.88 0.00 0.00 179.24 175.72 2k3y n ARG 96 N -2.55 0.43 -3.91 0.28 1.74 -0.08 -4.99 116.66 107.59 2k3y n ARG 96 Ca 0.01 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 2k3y n ARG 96 Cb 0.52 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 2k3y n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3y s ILE 97 N -2.07 5.37 -0.01 0.55 2.07 -0.64 -1.46 121.20 125.01 2k3y s ILE 97 Ca -0.05 -0.43 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 2k3y s ILE 97 Cb 0.01 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.95 2k3y s ILE 97 CO 0.09 0.09 0.11 -0.13 -1.91 0.00 0.00 174.94 173.18 2k3y s ARG 98 N -2.66 0.35 0.53 3.50 0.52 -0.26 -4.46 118.95 116.46 2k3y s ARG 98 Ca 0.35 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.11 2k3y s ARG 98 Cb -0.13 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 2k3y s ARG 98 CO 0.28 -0.07 1.25 0.00 0.02 0.00 0.00 175.30 176.78 2k3y s ALA 99 N -0.91 2.78 -0.12 2.13 0.00 -1.26 -0.67 121.76 123.71 2k3y s ALA 99 Ca -0.10 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 2k3y s ALA 99 Cb -0.06 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2k3y s ALA 99 CO 0.01 -1.08 1.83 -0.47 0.00 0.00 0.00 175.76 176.05 2k3y s TYR 100 N -1.47 1.68 0.18 0.00 6.14 0.21 -4.80 117.35 119.28 2k3y s TYR 100 Ca 0.71 0.20 -0.22 0.00 0.64 0.00 0.00 57.07 58.40 2k3y s TYR 100 Cb -0.33 -4.03 0.06 0.00 0.42 0.00 0.00 41.96 38.07 2k3y s TYR 100 CO 0.39 -4.06 0.59 0.54 0.64 0.00 0.00 175.55 173.66 2k3y s ASN 101 N 4.86 -0.48 0.55 4.32 2.20 -1.26 -4.55 114.94 120.58 2k3y s ASN 101 Ca 0.82 -0.14 0.26 0.00 -0.94 0.00 0.00 52.86 52.85 2k3y s ASN 101 Cb -0.33 0.61 1.58 0.00 -2.00 0.00 0.00 41.25 41.10 2k3y s ASN 101 CO 0.34 -1.02 2.17 -0.08 -2.94 0.00 0.00 177.10 175.57 2k3y h GLU 102 N 2.04 0.00 -0.15 3.55 4.81 -1.98 -1.19 114.58 121.66 2k3y h GLU 102 Ca -0.32 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 2k3y h GLU 102 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2k3y h GLU 102 CO 0.37 0.05 -0.34 1.49 -0.73 0.00 0.00 179.01 179.85 2k3y h GLU 103 N 0.00 0.50 0.00 1.92 4.81 -1.97 0.66 114.58 120.50 2k3y h GLU 103 Ca -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2k3y h GLU 103 Cb 0.11 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k3y h GLU 103 CO 0.01 0.94 -0.13 -2.95 -0.73 0.00 0.00 179.01 176.15 2k3y h ASN 104 N 0.13 0.00 0.16 1.04 7.08 -1.64 -1.52 115.58 120.84 2k3y h ASN 104 Ca 0.00 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.05 2k3y h ASN 104 Cb 0.94 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.17 2k3y h ASN 104 CO 0.07 0.13 -0.66 0.40 -2.08 0.00 0.00 177.43 175.29 2k3y h ILE 105 N 0.00 1.35 -0.72 6.14 1.08 -1.08 0.12 117.51 124.41 2k3y h ILE 105 Ca -0.00 -2.00 -0.03 0.00 -0.39 0.00 0.00 64.86 62.44 2k3y h ILE 105 Cb 0.66 1.98 -0.03 0.00 -3.07 0.00 0.00 36.82 36.36 2k3y h ILE 105 CO 0.02 0.61 0.34 0.00 -0.69 0.00 0.00 178.15 178.42 2k3y h ALA 106 N 0.94 0.93 0.29 1.87 0.00 -0.09 0.17 119.26 123.39 2k3y h ALA 106 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k3y h ALA 106 Cb 1.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k3y h ALA 106 CO 0.12 0.51 -0.19 1.98 0.00 0.00 0.00 179.25 181.66 2k3y h MET 107 N 1.02 -0.46 -0.57 0.00 1.85 -1.22 -1.65 114.93 113.89 2k3y h MET 107 Ca 0.25 0.03 0.09 0.00 -0.61 0.00 0.00 59.70 59.46 2k3y h MET 107 Cb 0.14 0.10 -0.07 0.00 0.43 0.00 0.00 31.60 32.20 2k3y h MET 107 CO -0.03 -0.31 0.20 -0.22 -0.40 0.00 0.00 176.91 176.15 2k3y h LYS 108 N -0.48 0.36 -0.08 0.39 3.64 0.04 -0.17 116.57 120.26 2k3y h LYS 108 Ca -0.03 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2k3y h LYS 108 Cb 0.40 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2k3y h LYS 108 CO 0.02 0.24 -0.36 1.57 -2.27 0.00 0.00 179.45 178.65 2k3y h LYS 109 N 0.37 0.39 -0.54 1.90 2.10 -0.66 0.22 116.57 120.36 2k3y h LYS 109 Ca 0.29 -0.31 0.16 0.00 -2.00 0.00 0.00 60.65 58.79 2k3y h LYS 109 Cb 0.35 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 2k3y h LYS 109 CO -0.30 0.94 0.42 -0.09 -2.00 0.00 0.00 179.45 178.42 2k3y h ARG 110 N -0.07 0.00 0.05 0.07 1.12 -0.84 -0.55 114.38 114.16 2k3y h ARG 110 Ca -0.02 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.52 2k3y h ARG 110 Cb 1.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.93 2k3y h ARG 110 CO 0.07 0.00 -1.81 1.28 -3.11 0.00 0.00 179.97 176.41 2k3y n LEU 111 N -4.19 2.29 -0.03 3.80 4.77 -0.12 -3.93 117.00 119.59 2k3y n LEU 111 Ca 0.10 0.28 0.24 0.00 -0.03 0.00 0.00 56.01 56.59 2k3y n LEU 111 Cb 0.65 -1.01 0.72 0.00 -2.33 0.00 0.00 43.42 41.45 2k3y n LEU 111 CO 0.35 0.60 1.21 0.00 -1.33 0.00 0.00 177.39 178.22 2k3y h ALA 112 N -0.28 2.46 -0.30 -1.18 0.00 -0.37 0.29 119.26 119.87 2k3y h ALA 112 Ca -0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2k3y h ALA 112 Cb 1.69 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2k3y h ALA 112 CO -0.10 -0.86 -0.07 -0.97 0.00 0.00 0.00 179.25 177.24 2k3y h ASN 113 N 0.00 0.46 0.00 0.00 -1.24 -1.22 -3.37 115.58 110.21 2k3y h ASN 113 Ca 0.30 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2k3y h ASN 113 Cb 1.38 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2k3y h ASN 113 CO -0.00 0.58 -0.52 -1.84 -1.29 0.00 0.00 177.43 174.36 2k3y n GLU 114 N -4.24 2.75 -0.39 6.67 0.28 -0.04 -5.04 120.64 120.63 2k3y n GLU 114 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2k3y n GLU 114 Cb 0.28 -0.72 0.00 0.00 1.43 0.00 0.00 31.44 32.43 2k3y n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3y n ALA 115 N -1.06 0.00 0.00 -1.84 0.00 0.80 -4.29 120.51 114.12 2k3y n ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3y n ALA 115 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2k3y n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3y n GLY 116 N -1.10 1.66 4.08 0.00 0.00 -1.24 -4.64 105.19 103.95 2k3y n GLY 116 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2k3y n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 117 N 3.48 -0.50 -2.09 1.61 7.64 -1.26 -4.82 113.62 117.68 2k3y n SER 117 Ca 0.00 -1.07 -0.09 0.00 1.01 0.00 0.00 58.87 58.72 2k3y n SER 117 Cb 0.00 -2.69 -0.13 0.00 -1.01 0.00 0.00 64.21 60.38 2k3y n SER 117 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k3y n THR 118 N -4.43 2.37 -3.75 0.44 -1.04 -1.26 -4.77 114.28 101.83 2k3y n THR 118 Ca -0.25 -1.17 -0.02 0.00 -2.04 0.00 0.00 64.05 60.57 2k3y n THR 118 Cb 0.66 -1.88 0.01 0.00 -1.82 0.00 0.00 70.33 67.30 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3y n GLY 119 N 2.58 0.81 0.02 3.41 0.00 -1.26 -5.03 105.19 105.72 2k3y n GLY 119 Ca 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2k3y n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 120 N -1.03 0.04 -3.73 1.61 7.64 -1.26 -4.70 113.62 112.19 2k3y n SER 120 Ca -0.01 -1.53 -0.11 0.00 1.01 0.00 0.00 58.87 58.23 2k3y n SER 120 Cb 0.38 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3y s ALA 121 N -1.95 -0.69 0.65 -0.43 0.00 -1.26 -5.16 121.76 112.92 2k3y s ALA 121 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2k3y s ALA 121 Cb 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2k3y s ALA 121 CO 0.00 -0.51 0.89 -2.30 0.00 0.00 0.00 175.76 173.84 2k3y n PRO 122 N 0.18 0.68 -1.89 0.00 -0.02 -1.26 -4.66 135.00 128.03 2k3y n PRO 122 Ca -0.17 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 2k3y n PRO 122 Cb 0.61 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3y s ALA 123 N -1.66 3.65 0.06 3.55 0.00 -1.26 -4.94 121.76 121.16 2k3y s ALA 123 Ca 0.74 1.47 0.14 0.00 0.00 0.00 0.00 51.96 54.31 2k3y s ALA 123 Cb -0.39 -3.59 0.27 0.00 0.00 0.00 0.00 23.12 19.41 2k3y s ALA 123 CO 0.49 -0.89 1.54 1.79 0.00 0.00 0.00 175.76 178.68 2k3y h THR 124 N 3.30 1.10 0.00 0.00 1.35 -1.93 -3.45 112.91 113.28 2k3y h THR 124 Ca -0.48 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 2k3y h THR 124 Cb 1.22 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 2k3y h THR 124 CO 0.74 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 177.17 2k3y n GLY 125 N 0.78 0.26 3.66 5.82 0.00 -1.26 -5.13 105.19 109.31 2k3y n GLY 125 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2k3y n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3y s GLY 126 N 0.00 -0.32 -0.52 -0.02 0.00 -1.26 -5.00 107.32 100.20 2k3y s GLY 126 Ca 0.00 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.15 2k3y s GLY 126 CO 0.00 0.11 0.48 3.33 0.00 0.00 0.00 173.10 177.01 2k3y n VAL 127 N -0.39 0.17 0.00 1.40 0.24 -1.26 -4.99 118.33 113.49 2k3y n VAL 127 Ca -0.08 -4.19 0.00 0.00 -2.04 0.00 0.00 64.34 58.03 2k3y n VAL 127 Cb 0.61 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k3y n LYS 129 N 2.02 0.00 0.01 7.34 4.76 -1.26 -5.12 118.16 125.91 2k3y n LYS 129 Ca 0.25 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.82 2k3y n LYS 129 Cb 0.45 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 33.95 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k3y n PRO 130 N 0.00 0.06 0.20 1.97 -0.04 -1.26 -4.06 135.00 131.87 2k3y n PRO 130 Ca 0.00 0.02 0.16 0.00 -0.04 0.00 0.00 63.50 63.64 2k3y n PRO 130 Cb 0.00 -1.54 0.80 0.00 -0.04 0.00 0.00 33.50 32.72 2k3y n PRO 130 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k3y h HIS 131 N 0.00 0.00 -3.69 0.54 6.17 -2.04 -3.44 115.15 112.69 2k3y h HIS 131 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.82 2k3y h HIS 131 Cb 0.55 0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.42 2k3y h HIS 131 CO 0.00 0.00 -0.19 2.89 0.71 0.00 0.00 177.93 181.34 2k3y n ARG 132 N -3.98 0.44 -0.29 5.26 1.85 -1.26 -5.10 116.66 113.59 2k3y n ARG 132 Ca 0.01 -2.19 0.04 0.00 -1.00 0.00 0.00 57.85 54.72 2k3y n ARG 132 Cb 0.29 1.99 0.06 0.00 -1.05 0.00 0.00 32.46 33.75 2k3y n ARG 132 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2k3y n TYR 133 N -0.44 0.00 -0.55 2.89 4.11 -1.26 -4.99 117.16 116.92 2k3y n TYR 133 Ca 0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 57.90 57.48 2k3y n TYR 133 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.68 2k3y n TYR 133 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40