#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvu s ARG 6 N 0.00 2.25 0.57 0.03 1.04 -1.26 -4.99 118.95 116.59 3kvu s ARG 6 Ca 0.00 -1.35 -0.19 0.00 -1.04 0.00 0.00 55.73 53.15 3kvu s ARG 6 Cb 0.00 -2.18 -0.05 0.00 -2.04 0.00 0.00 34.95 30.68 3kvu s ARG 6 CO 0.00 0.39 1.18 0.08 -0.04 0.00 0.00 175.30 176.91 3kvu s VAL 7 N -2.11 2.82 0.00 4.99 1.01 -1.26 -2.77 120.40 123.08 3kvu s VAL 7 Ca 0.29 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3kvu s VAL 7 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3kvu s VAL 7 CO 0.19 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3kvu n GLY 8 N 0.39 3.21 3.46 4.51 0.00 -0.18 -5.01 105.19 111.57 3kvu n GLY 8 Ca 0.13 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.58 3kvu n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kvu n GLU 9 N -1.53 0.63 -5.09 1.61 4.07 -1.11 -4.61 120.64 114.61 3kvu n GLU 9 Ca 0.00 0.19 -0.32 0.00 -0.06 0.00 0.00 57.16 56.97 3kvu n GLU 9 Cb 0.00 -1.97 -0.16 0.00 -0.06 0.00 0.00 31.44 29.25 3kvu n GLU 9 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 3kvu s ARG 10 N 5.28 3.04 0.51 5.31 3.52 -1.26 -0.86 118.95 134.48 3kvu s ARG 10 Ca 1.10 -0.82 0.07 0.00 -0.13 0.00 0.00 55.73 55.95 3kvu s ARG 10 Cb -1.18 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3kvu s ARG 10 CO 0.61 0.24 0.46 0.12 -0.81 0.00 0.00 175.30 175.93 3kvu s PHE 11 N 0.22 1.96 -0.25 5.12 5.36 -0.26 -5.02 117.98 125.10 3kvu s PHE 11 Ca -0.13 -0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 55.08 3kvu s PHE 11 Cb -0.16 -2.05 0.12 0.00 -0.34 0.00 0.00 43.02 40.59 3kvu s PHE 11 CO 0.07 -0.47 0.49 0.99 -1.46 0.00 0.00 175.22 174.83 3kvu s THR 12 N -2.65 -0.77 0.03 0.12 2.01 -1.26 -3.81 115.64 109.31 3kvu s THR 12 Ca 0.44 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.57 3kvu s THR 12 Cb -0.03 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3kvu s THR 12 CO 0.27 0.00 -0.23 -2.28 -0.69 0.00 0.00 174.62 171.68 3kvu s HIS 13 N 2.70 2.06 -0.04 4.92 2.46 0.36 -4.98 115.29 122.77 3kvu s HIS 13 Ca 0.04 -0.39 0.01 0.00 0.47 0.00 0.00 55.06 55.19 3kvu s HIS 13 Cb -0.13 -1.25 0.02 0.00 -0.13 0.00 0.00 32.58 31.09 3kvu s HIS 13 CO -0.16 0.08 -0.03 0.34 -2.47 0.00 0.00 174.74 172.50 3kvu s ASP 14 N -1.07 0.75 -0.10 9.88 2.15 -1.26 0.21 116.67 127.24 3kvu s ASP 14 Ca 0.09 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 52.94 3kvu s ASP 14 Cb -0.09 -0.37 0.05 0.00 -0.30 0.00 0.00 42.92 42.21 3kvu s ASP 14 CO 0.01 -0.07 0.21 0.12 -0.17 0.00 0.00 175.17 175.28 3kvu s PHE 15 N 0.94 -0.28 -0.35 -5.34 5.36 0.32 -4.98 117.98 113.65 3kvu s PHE 15 Ca -0.11 0.71 -0.23 0.00 -0.96 0.00 0.00 56.93 56.34 3kvu s PHE 15 Cb -0.14 -0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.53 3kvu s PHE 15 CO -0.00 -0.23 0.78 0.08 -1.46 0.00 0.00 175.22 174.39 3kvu s VAL 16 N 1.44 4.75 -0.17 3.12 1.01 -1.26 0.11 120.40 129.40 3kvu s VAL 16 Ca -0.07 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 3kvu s VAL 16 Cb -0.11 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3kvu s VAL 16 CO -0.08 -0.39 1.44 -0.69 0.00 0.00 0.00 175.10 175.39 3kvu s VAL 17 N 3.06 3.96 0.51 2.92 1.01 0.21 -4.94 120.40 127.13 3kvu s VAL 17 Ca 0.31 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.44 3kvu s VAL 17 Cb -0.13 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3kvu s VAL 17 CO 0.16 -0.20 0.72 -2.16 0.00 0.00 0.00 175.10 173.62 3kvu s PRO 18 N 4.00 2.70 0.37 2.72 0.04 -1.26 -0.49 135.00 143.07 3kvu s PRO 18 Ca 0.63 -0.78 0.27 0.00 0.04 0.00 0.00 61.00 61.16 3kvu s PRO 18 Cb -0.24 -2.54 1.23 0.00 0.04 0.00 0.00 34.50 32.98 3kvu s PRO 18 CO 0.23 -0.55 1.81 -1.35 0.04 0.00 0.00 177.00 177.18 3kvu h PRO 19 N 0.22 0.00 -0.17 0.56 0.11 -1.94 -2.83 132.00 127.95 3kvu h PRO 19 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kvu h PRO 19 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kvu h PRO 19 CO 0.52 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.92 3kvu n HIS 20 N -2.49 0.23 -1.12 0.65 1.44 -1.26 -4.02 115.22 108.66 3kvu n HIS 20 Ca 0.01 -0.11 0.03 0.00 -2.01 0.00 0.00 57.72 55.63 3kvu n HIS 20 Cb 0.19 0.00 0.25 0.00 0.12 0.00 0.00 29.99 30.55 3kvu n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kvu n LYS 21 N 0.01 2.76 -3.74 -1.40 4.76 -1.07 -4.72 118.16 114.78 3kvu n LYS 21 Ca 0.08 -2.96 -0.26 0.00 -2.87 0.00 0.00 58.31 52.30 3kvu n LYS 21 Cb 0.17 -1.89 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 3kvu n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kvu s THR 22 N -2.96 5.22 0.14 -0.18 -4.23 -1.26 -2.57 115.64 109.81 3kvu s THR 22 Ca 0.45 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3kvu s THR 22 Cb 0.37 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.67 3kvu s THR 22 CO 0.07 -0.22 0.77 0.52 -0.54 0.00 0.00 174.62 175.22 3kvu n VAL 23 N -0.87 -0.21 0.36 2.29 0.31 -0.66 -0.13 118.33 119.42 3kvu n VAL 23 Ca -0.06 1.12 0.13 0.00 -0.01 0.00 0.00 64.34 65.53 3kvu n VAL 23 Cb 0.54 -1.58 0.56 0.00 -0.91 0.00 0.00 33.84 32.46 3kvu n VAL 23 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3kvu h ARG 24 N 0.00 0.00 0.00 5.55 0.11 -1.88 -2.87 114.38 115.29 3kvu h ARG 24 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 3kvu h ARG 24 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 3kvu h ARG 24 CO -0.50 0.00 -0.87 0.72 0.10 0.00 0.00 179.97 179.42 3kvu n HIS 25 N -2.47 0.63 -0.04 4.08 8.25 0.82 -2.89 115.22 123.60 3kvu n HIS 25 Ca 0.01 0.18 -0.12 0.00 -0.26 0.00 0.00 57.72 57.54 3kvu n HIS 25 Cb 0.24 -0.71 -0.07 0.00 1.12 0.00 0.00 29.99 30.57 3kvu n HIS 25 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kvu h LEU 26 N 0.00 0.21 -6.76 2.41 5.85 -1.52 -3.37 115.31 112.12 3kvu h LEU 26 Ca 0.00 -0.33 -0.60 0.00 0.84 0.00 0.00 57.88 57.79 3kvu h LEU 26 Cb 0.84 -0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.41 3kvu h LEU 26 CO 0.00 0.49 -0.78 -0.31 -0.34 0.00 0.00 178.44 177.49 3kvu s TYR 27 N -4.89 2.06 0.63 1.25 2.02 -1.24 -4.93 117.35 112.24 3kvu s TYR 27 Ca -0.14 -2.62 0.28 0.00 -0.37 0.00 0.00 57.07 54.21 3kvu s TYR 27 Cb 0.05 -1.72 1.48 0.00 -0.40 0.00 0.00 41.96 41.38 3kvu s TYR 27 CO 0.71 -0.73 1.87 -1.35 -1.57 0.00 0.00 175.55 174.47 3kvu h PRO 28 N 5.93 0.00 0.00 -1.71 0.11 -1.71 -1.81 132.00 132.81 3kvu h PRO 28 Ca 0.15 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 3kvu h PRO 28 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3kvu h PRO 28 CO 0.50 0.00 -0.42 0.93 -0.21 0.00 0.00 178.00 178.80 3kvu h GLU 29 N 0.00 0.00 -5.70 1.05 3.07 -1.92 -3.45 114.58 107.64 3kvu h GLU 29 Ca 0.11 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.37 3kvu h GLU 29 Cb 0.98 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.80 3kvu h GLU 29 CO -0.00 0.42 0.28 0.45 -1.40 0.00 0.00 179.01 178.77 3kvu s SER 30 N -6.66 6.74 0.20 1.42 0.15 -0.68 -4.94 113.70 109.93 3kvu s SER 30 Ca -0.01 0.91 0.02 0.00 0.70 0.00 0.00 55.95 57.57 3kvu s SER 30 Cb 0.12 -2.39 0.13 0.00 -1.71 0.00 0.00 66.02 62.17 3kvu s SER 30 CO 0.71 -0.40 1.48 -0.65 1.20 0.00 0.00 173.24 175.58 3kvu h PRO 31 N 7.64 0.30 -0.30 5.44 0.11 -1.88 -1.74 132.00 141.58 3kvu h PRO 31 Ca -0.27 -0.24 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3kvu h PRO 31 Cb 1.12 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3kvu h PRO 31 CO 0.81 0.88 0.12 0.93 -0.21 0.00 0.00 178.00 180.54 3kvu h GLU 32 N 0.21 0.26 0.00 1.05 3.07 -1.96 -2.05 114.58 115.15 3kvu h GLU 32 Ca -0.02 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 3kvu h GLU 32 Cb 1.26 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 3kvu h GLU 32 CO 0.11 0.17 -0.29 0.74 -1.40 0.00 0.00 179.01 178.34 3kvu h PHE 33 N 0.26 0.00 -0.03 4.33 0.04 -1.86 -3.27 116.94 116.41 3kvu h PHE 33 Ca 0.13 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3kvu h PHE 33 Cb 0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 3kvu h PHE 33 CO -0.12 0.29 0.23 0.00 -0.60 0.00 0.00 178.31 178.11 3kvu h ALA 34 N 1.71 1.30 0.00 2.45 0.00 -0.55 -2.15 119.26 122.01 3kvu h ALA 34 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kvu h ALA 34 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kvu h ALA 34 CO 0.04 -0.24 -0.03 0.39 0.00 0.00 0.00 179.25 179.41 3kvu n GLU 35 N -3.05 1.44 -1.56 0.00 -0.58 -1.23 -4.98 120.64 110.67 3kvu n GLU 35 Ca -0.02 -2.32 -0.31 0.00 -0.42 0.00 0.00 57.16 54.09 3kvu n GLU 35 Cb 0.29 -1.36 0.05 0.00 -0.57 0.00 0.00 31.44 29.85 3kvu n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kvu s PHE 36 N -2.43 2.98 0.51 -0.32 0.40 -0.81 -5.02 117.98 113.29 3kvu s PHE 36 Ca 0.25 1.46 -0.22 0.00 -0.60 0.00 0.00 56.93 57.82 3kvu s PHE 36 Cb 0.22 -2.94 -0.07 0.00 0.51 0.00 0.00 43.02 40.75 3kvu s PHE 36 CO 0.02 -1.35 1.24 -2.30 0.70 0.00 0.00 175.22 173.53 3kvu n PRO 37 N -3.07 1.60 -2.29 0.24 -0.02 -1.26 -4.89 135.00 125.31 3kvu n PRO 37 Ca 0.08 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 3kvu n PRO 37 Cb 0.53 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3kvu n PRO 37 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kvu s GLU 38 N -2.60 3.13 0.21 -0.52 0.41 -1.26 -4.59 118.70 113.47 3kvu s GLU 38 Ca 0.69 -1.48 0.08 0.00 -0.41 0.00 0.00 54.97 53.84 3kvu s GLU 38 Cb -0.45 -5.36 -0.05 0.00 -1.78 0.00 0.00 34.13 26.49 3kvu s GLU 38 CO 0.52 -3.23 -0.15 0.14 -0.49 0.00 0.00 175.26 172.05 3kvu s VAL 39 N 8.09 1.80 -0.29 2.63 -7.23 -1.26 -4.25 120.40 119.90 3kvu s VAL 39 Ca 0.62 -2.19 -0.36 0.00 -1.81 0.00 0.00 61.98 58.23 3kvu s VAL 39 Cb 0.01 -2.04 -0.13 0.00 0.56 0.00 0.00 36.38 34.79 3kvu s VAL 39 CO 0.10 -0.55 2.02 0.33 -0.31 0.00 0.00 175.10 176.70 3kvu n PHE 40 N -0.32 1.84 -1.95 2.82 7.35 0.12 -1.66 117.46 125.65 3kvu n PHE 40 Ca -0.08 0.30 -0.37 0.00 -0.76 0.00 0.00 57.45 56.54 3kvu n PHE 40 Cb 0.60 -2.53 0.04 0.00 0.35 0.00 0.00 39.48 37.93 3kvu n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kvu s ALA 41 N 5.79 2.58 0.44 3.13 0.00 -1.06 -4.75 121.76 127.89 3kvu s ALA 41 Ca 1.04 1.09 0.13 0.00 0.00 0.00 0.00 51.96 54.22 3kvu s ALA 41 Cb -0.89 -3.48 1.03 0.00 0.00 0.00 0.00 23.12 19.77 3kvu s ALA 41 CO 0.54 -1.24 2.02 0.77 0.00 0.00 0.00 175.76 177.85 3kvu h SER 42 N 0.98 0.34 -0.13 0.00 0.02 -1.94 -1.41 113.55 111.41 3kvu h SER 42 Ca -0.51 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.38 3kvu h SER 42 Cb 1.30 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3kvu h SER 42 CO 0.55 0.22 -0.17 1.23 -1.14 0.00 0.00 176.83 177.52 3kvu h GLY 43 N 0.38 0.37 1.30 -3.77 0.00 -1.98 0.77 103.07 100.14 3kvu h GLY 43 Ca 0.21 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3kvu h GLY 43 CO -0.05 0.36 0.37 0.74 0.00 0.00 0.00 176.54 177.96 3kvu h PHE 44 N -0.06 0.60 0.22 5.60 0.04 -1.86 -1.05 116.94 120.43 3kvu h PHE 44 Ca 0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3kvu h PHE 44 Cb 0.72 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3kvu h PHE 44 CO 0.09 0.34 -0.10 1.98 -0.60 0.00 0.00 178.31 180.02 3kvu h MET 45 N 0.62 -0.28 -0.97 1.51 4.05 -1.04 -2.20 114.93 116.61 3kvu h MET 45 Ca 0.23 0.02 0.22 0.00 -0.28 0.00 0.00 59.70 59.89 3kvu h MET 45 Cb 0.15 0.06 -0.18 0.00 -0.80 0.00 0.00 31.60 30.83 3kvu h MET 45 CO -0.06 0.08 -0.14 0.28 0.23 0.00 0.00 176.91 177.29 3kvu h VAL 46 N -0.70 0.03 0.00 -5.77 2.07 -0.79 0.02 116.25 111.11 3kvu h VAL 46 Ca -0.03 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3kvu h VAL 46 Cb 0.49 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3kvu h VAL 46 CO 0.05 0.00 -0.19 1.23 0.02 0.00 0.00 177.57 178.68 3kvu h GLY 47 N 0.01 0.00 0.42 2.17 0.00 -1.01 -1.00 103.07 103.65 3kvu h GLY 47 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 3kvu h GLY 47 CO -0.96 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 173.24 3kvu h LEU 48 N 0.00 0.24 0.55 3.11 5.85 -0.63 -1.57 115.31 122.87 3kvu h LEU 48 Ca -0.00 -0.87 -0.02 0.00 0.84 0.00 0.00 57.88 57.83 3kvu h LEU 48 Cb 0.49 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3kvu h LEU 48 CO 0.03 1.08 -0.48 0.24 -0.34 0.00 0.00 178.44 178.97 3kvu h MET 49 N -0.57 -0.98 -1.00 1.25 2.86 -0.81 -1.82 114.93 113.88 3kvu h MET 49 Ca -0.05 0.07 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 3kvu h MET 49 Cb 1.16 0.22 -0.18 0.00 0.06 0.00 0.00 31.60 32.87 3kvu h MET 49 CO 0.06 -0.65 -0.32 0.39 1.06 0.00 0.00 176.91 177.46 3kvu n GLU 50 N -5.56 -0.16 -0.03 1.72 1.02 -0.40 -1.36 120.64 115.87 3kvu n GLU 50 Ca -0.12 1.55 0.18 0.00 -0.02 0.00 0.00 57.16 58.74 3kvu n GLU 50 Cb 0.46 -2.30 0.64 0.00 -0.02 0.00 0.00 31.44 30.21 3kvu n GLU 50 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3kvu h TRP 51 N 0.00 0.12 0.03 -0.32 7.01 -0.77 -1.16 115.95 120.85 3kvu h TRP 51 Ca 0.42 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 61.22 3kvu h TRP 51 Cb 0.67 -0.04 0.02 0.00 -2.10 0.00 0.00 29.16 27.70 3kvu h TRP 51 CO -0.82 0.05 -0.80 0.00 -2.79 0.00 0.00 178.44 174.09 3kvu h ALA 52 N 1.73 0.06 -0.62 2.65 0.00 -0.38 -2.09 119.26 120.60 3kvu h ALA 52 Ca 0.27 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3kvu h ALA 52 Cb 0.90 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3kvu h ALA 52 CO -0.03 0.47 0.20 0.00 0.00 0.00 0.00 179.25 179.89 3kvu h VAL 54 N 0.89 0.00 -0.52 0.00 2.07 -1.28 -1.41 116.25 116.00 3kvu h VAL 54 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3kvu h VAL 54 Cb 0.28 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 3kvu h VAL 54 CO -0.01 0.00 -0.18 0.54 0.02 0.00 0.00 177.57 177.94 3kvu n ARG 55 N -2.62 -0.10 0.23 1.57 5.12 -0.79 -0.58 116.66 119.50 3kvu n ARG 55 Ca -0.01 0.81 0.08 0.00 -1.93 0.00 0.00 57.85 56.81 3kvu n ARG 55 Cb 0.03 -1.21 0.56 0.00 -1.16 0.00 0.00 32.46 30.68 3kvu n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kvu h ALA 56 N 0.84 1.33 -0.00 7.54 0.00 -1.13 -2.81 119.26 125.03 3kvu h ALA 56 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kvu h ALA 56 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kvu h ALA 56 CO -0.53 0.27 -0.71 0.00 0.00 0.00 0.00 179.25 178.28 3kvu n MET 57 N -3.83 0.31 -0.34 0.00 0.00 0.26 -4.49 117.12 109.02 3kvu n MET 57 Ca -0.02 -0.24 0.16 0.00 0.00 0.00 0.00 57.70 57.61 3kvu n MET 57 Cb 0.31 -1.50 0.36 0.00 0.00 0.00 0.00 33.22 32.40 3kvu n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kvu h ALA 58 N 3.23 1.73 0.00 3.17 0.00 -0.87 0.18 119.26 126.71 3kvu h ALA 58 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3kvu h ALA 58 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kvu h ALA 58 CO 0.00 -0.22 -0.21 -1.35 0.00 0.00 0.00 179.25 177.47 3kvu h PRO 59 N 0.61 0.00 -0.74 0.00 0.11 -1.79 -3.19 132.00 127.00 3kvu h PRO 59 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 3kvu h PRO 59 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kvu h PRO 59 CO -0.46 0.21 0.00 0.66 -0.21 0.00 0.00 178.00 178.20 3kvu n TYR 60 N -4.13 1.04 -3.76 0.65 4.01 0.61 -4.89 117.16 110.69 3kvu n TYR 60 Ca -0.02 -0.51 -0.35 0.00 -0.16 0.00 0.00 57.90 56.86 3kvu n TYR 60 Cb 0.28 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.21 3kvu n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kvu s LEU 61 N -1.06 4.20 0.70 7.72 1.43 -1.10 -4.87 118.68 125.70 3kvu s LEU 61 Ca 0.50 0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 3kvu s LEU 61 Cb 0.27 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3kvu s LEU 61 CO 0.33 0.20 1.22 -1.61 0.23 0.00 0.00 176.35 176.72 3kvu s GLU 62 N 0.24 2.32 0.32 1.70 0.41 -1.26 -4.91 118.70 117.53 3kvu s GLU 62 Ca 0.08 1.82 -0.27 0.00 -0.41 0.00 0.00 54.97 56.19 3kvu s GLU 62 Cb -0.11 -1.85 -0.13 0.00 -1.78 0.00 0.00 34.13 30.26 3kvu s GLU 62 CO -0.01 -1.71 0.95 -2.30 -0.49 0.00 0.00 175.26 171.69 3kvu n PRO 63 N -2.44 1.23 0.00 0.39 -0.02 -1.26 -1.13 135.00 131.78 3kvu n PRO 63 Ca 0.14 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kvu n PRO 63 Cb 0.50 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3kvu n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvu n GLY 64 N 1.29 2.79 3.87 -1.23 0.00 -1.26 -5.02 105.19 105.64 3kvu n GLY 64 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3kvu n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kvu s GLU 65 N 0.00 3.82 0.00 1.61 2.02 -0.28 -1.16 118.70 124.71 3kvu s GLU 65 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3kvu s GLU 65 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.79 3kvu s GLU 65 CO 0.00 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.75 3kvu n GLY 66 N -0.96 3.58 3.46 -1.39 0.00 0.79 -4.78 105.19 105.88 3kvu n GLY 66 Ca 0.02 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 3kvu n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvu s SER 67 N 0.12 -0.38 0.03 1.61 1.04 -1.26 0.23 113.70 115.09 3kvu s SER 67 Ca 0.00 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3kvu s SER 67 Cb 0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 3kvu s SER 67 CO 0.00 -1.00 -0.11 -0.76 0.98 0.00 0.00 173.24 172.36 3kvu s LEU 68 N -2.81 2.15 0.15 2.42 1.43 -0.82 -4.94 118.68 116.26 3kvu s LEU 68 Ca 0.05 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 3kvu s LEU 68 Cb -0.01 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.72 3kvu s LEU 68 CO -0.08 -0.01 1.23 -0.83 0.23 0.00 0.00 176.35 176.88 3kvu s GLY 69 N -0.99 2.51 -0.01 -3.19 0.00 -1.26 -0.55 107.32 103.83 3kvu s GLY 69 Ca -0.01 0.96 0.05 0.00 0.00 0.00 0.00 44.72 45.71 3kvu s GLY 69 CO 0.01 1.97 0.11 -1.30 0.00 0.00 0.00 173.10 173.88 3kvu n THR 70 N 3.02 0.00 -3.73 0.90 -2.24 0.11 -4.90 114.28 107.44 3kvu n THR 70 Ca 0.06 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 3kvu n THR 70 Cb 0.45 0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.02 3kvu n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvu s ALA 71 N -2.26 -0.99 -0.04 6.98 0.00 -1.18 -4.96 121.76 119.32 3kvu s ALA 71 Ca -0.01 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3kvu s ALA 71 Cb 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3kvu s ALA 71 CO 0.19 -0.23 -0.06 -1.50 0.00 0.00 0.00 175.76 174.16 3kvu s ILE 72 N -0.38 0.59 -0.32 0.00 1.10 -1.26 -1.05 121.20 119.87 3kvu s ILE 72 Ca -0.05 -0.20 -0.00 0.00 -0.51 0.00 0.00 60.65 59.89 3kvu s ILE 72 Cb -0.03 -0.58 0.13 0.00 0.15 0.00 0.00 42.46 42.13 3kvu s ILE 72 CO 0.02 0.22 0.26 0.00 -2.11 0.00 0.00 174.94 173.33 3kvu s VAL 74 N 1.78 0.57 0.36 0.00 -7.23 -1.26 -0.16 120.40 114.46 3kvu s VAL 74 Ca 0.13 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3kvu s VAL 74 Cb -0.17 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 3kvu s VAL 74 CO -0.19 -0.79 0.57 0.42 -0.31 0.00 0.00 175.10 174.80 3kvu s THR 75 N -3.16 5.03 -0.37 5.32 -4.23 -0.28 -4.93 115.64 113.03 3kvu s THR 75 Ca 0.06 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 3kvu s THR 75 Cb 0.02 -3.84 0.12 0.00 1.34 0.00 0.00 72.50 70.14 3kvu s THR 75 CO -0.04 -0.56 0.15 -2.28 -0.54 0.00 0.00 174.62 171.35 3kvu s HIS 76 N -2.35 2.01 -2.30 3.99 2.46 -1.26 -3.11 115.29 114.73 3kvu s HIS 76 Ca 0.41 -2.15 0.21 0.00 0.47 0.00 0.00 55.06 54.00 3kvu s HIS 76 Cb -0.10 -1.90 0.08 0.00 -0.13 0.00 0.00 32.58 30.54 3kvu s HIS 76 CO 0.37 -0.84 1.10 0.25 -2.47 0.00 0.00 174.74 173.15 3kvu n THR 77 N 4.24 0.00 -3.85 0.89 -2.24 -0.09 -4.94 114.28 108.28 3kvu n THR 77 Ca 0.03 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3kvu n THR 77 Cb 0.39 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3kvu n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kvu s ALA 78 N -2.07 -0.97 0.12 6.98 0.00 -1.23 -4.97 121.76 119.62 3kvu s ALA 78 Ca 0.21 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.87 3kvu s ALA 78 Cb 0.17 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 3kvu s ALA 78 CO 0.40 -0.95 -0.23 0.00 0.00 0.00 0.00 175.76 174.98 3kvu s ALA 79 N -3.93 2.07 -0.23 0.00 0.00 -1.26 -4.76 121.76 113.66 3kvu s ALA 79 Ca 0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 3kvu s ALA 79 Cb -0.04 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.85 3kvu s ALA 79 CO 0.05 0.42 0.00 0.99 0.00 0.00 0.00 175.76 177.22 3kvu s THR 80 N -1.23 1.04 0.67 0.00 2.01 -1.26 -5.02 115.64 111.85 3kvu s THR 80 Ca 0.11 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 3kvu s THR 80 Cb -0.10 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 3kvu s THR 80 CO 0.05 -0.21 1.06 -2.16 -0.69 0.00 0.00 174.62 172.67 3kvu s PRO 81 N 1.61 3.19 0.57 4.92 0.04 -1.26 -0.71 135.00 143.36 3kvu s PRO 81 Ca -0.02 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.49 3kvu s PRO 81 Cb -0.18 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3kvu s PRO 81 CO -0.09 -0.85 1.35 -2.14 0.04 0.00 0.00 177.00 175.31 3kvu s PRO 82 N -5.21 3.02 0.00 0.56 0.02 -1.26 -3.35 135.00 128.77 3kvu s PRO 82 Ca 0.57 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3kvu s PRO 82 Cb -0.12 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3kvu s PRO 82 CO 0.53 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3kvu n GLY 83 N 0.76 1.61 3.86 0.52 0.00 0.36 -4.97 105.19 107.33 3kvu n GLY 83 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3kvu n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvu s LEU 84 N 0.00 2.63 -0.22 0.99 1.43 -1.21 -4.72 118.68 117.58 3kvu s LEU 84 Ca 0.00 1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 3kvu s LEU 84 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3kvu s LEU 84 CO 0.00 -1.76 -0.11 -0.89 0.23 0.00 0.00 176.35 173.82 3kvu s THR 85 N -3.38 2.56 -0.15 5.49 2.01 -1.26 0.66 115.64 121.58 3kvu s THR 85 Ca 0.60 -1.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.44 3kvu s THR 85 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 3kvu s THR 85 CO 0.52 0.32 0.36 -0.69 -0.69 0.00 0.00 174.62 174.43 3kvu s VAL 86 N 1.30 5.27 -0.40 3.82 1.01 0.30 -4.12 120.40 127.58 3kvu s VAL 86 Ca 0.01 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 3kvu s VAL 86 Cb -0.15 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.63 3kvu s VAL 86 CO -0.07 0.36 0.20 -0.89 0.00 0.00 0.00 175.10 174.70 3kvu s THR 87 N 0.55 3.49 0.16 3.92 2.01 0.23 -0.52 115.64 125.48 3kvu s THR 87 Ca 0.20 -1.84 -0.28 0.00 0.31 0.00 0.00 61.69 60.07 3kvu s THR 87 Cb -0.14 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 3kvu s THR 87 CO 0.06 -0.60 0.88 -0.69 -0.69 0.00 0.00 174.62 173.58 3kvu s VAL 88 N 1.22 4.35 -0.46 3.82 1.01 0.13 -2.85 120.40 127.63 3kvu s VAL 88 Ca 0.05 1.91 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 3kvu s VAL 88 Cb -0.23 -4.25 0.12 0.00 0.00 0.00 0.00 36.38 32.03 3kvu s VAL 88 CO -0.02 0.44 0.27 -0.89 0.00 0.00 0.00 175.10 174.90 3kvu s THR 89 N -0.73 3.58 -0.04 3.92 2.01 -0.61 0.13 115.64 123.90 3kvu s THR 89 Ca 0.41 -2.12 -0.30 0.00 0.31 0.00 0.00 61.69 59.99 3kvu s THR 89 Cb -0.24 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3kvu s THR 89 CO 0.29 -0.74 1.03 0.00 -0.69 0.00 0.00 174.62 174.50 3kvu s ALA 90 N 1.03 3.30 -0.04 7.40 0.00 -1.25 -2.68 121.76 129.53 3kvu s ALA 90 Ca 0.09 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.60 3kvu s ALA 90 Cb -0.23 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3kvu s ALA 90 CO -0.03 -0.44 -0.20 -2.00 0.00 0.00 0.00 175.76 173.09 3kvu s GLU 91 N 1.53 1.87 -0.16 0.00 2.12 0.13 -1.11 118.70 123.09 3kvu s GLU 91 Ca 0.51 -0.70 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 3kvu s GLU 91 Cb -0.21 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 3kvu s GLU 91 CO 0.23 0.33 0.62 -1.17 -0.54 0.00 0.00 175.26 174.74 3kvu s LEU 92 N -0.16 4.19 0.00 2.70 2.96 -0.04 0.51 118.68 128.84 3kvu s LEU 92 Ca -0.00 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 3kvu s LEU 92 Cb -0.11 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.69 3kvu s LEU 92 CO 0.01 -0.21 0.00 0.54 -1.32 0.00 0.00 176.35 175.38 3kvu n ARG 93 N 4.64 5.92 -3.63 1.98 5.12 0.32 -1.01 116.66 130.00 3kvu n ARG 93 Ca -0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.76 3kvu n ARG 93 Cb 0.50 -0.56 -0.07 0.00 -1.16 0.00 0.00 32.46 31.17 3kvu n ARG 93 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3kvu s SER 94 N -1.12 -0.71 -0.08 0.55 0.15 -0.83 -4.96 113.70 106.70 3kvu s SER 94 Ca 0.00 1.38 -0.03 0.00 0.70 0.00 0.00 55.95 58.00 3kvu s SER 94 Cb 0.00 1.39 0.04 0.00 -1.71 0.00 0.00 66.02 65.75 3kvu s SER 94 CO 0.00 -0.24 0.13 -0.69 1.20 0.00 0.00 173.24 173.64 3kvu s VAL 95 N 0.35 -0.21 -0.27 4.45 1.01 -1.26 -1.07 120.40 123.40 3kvu s VAL 95 Ca 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 3kvu s VAL 95 Cb -0.05 -0.26 0.15 0.00 0.00 0.00 0.00 36.38 36.22 3kvu s VAL 95 CO 0.00 0.14 0.41 -1.61 0.00 0.00 0.00 175.10 174.05 3kvu s GLU 96 N 2.25 0.40 7.41 2.72 2.02 -0.46 -5.03 118.70 128.02 3kvu s GLU 96 Ca 0.04 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.43 3kvu s GLU 96 Cb -0.12 -0.30 0.00 0.00 0.10 0.00 0.00 34.13 33.80 3kvu s GLU 96 CO -0.05 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.82 3kvu n GLY 97 N 5.37 2.65 0.08 -1.39 0.00 -1.26 -0.90 105.19 109.73 3kvu n GLY 97 Ca -0.01 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3kvu n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kvu n ARG 98 N 13.31 1.10 -4.22 1.61 0.00 -1.26 -4.85 116.66 122.35 3kvu n ARG 98 Ca 0.00 -0.15 -0.34 0.00 -0.00 0.00 0.00 57.85 57.36 3kvu n ARG 98 Cb 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 32.46 30.94 3kvu n ARG 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kvu s ARG 99 N -1.98 3.30 -0.06 -0.14 1.81 -0.08 0.57 118.95 122.37 3kvu s ARG 99 Ca 0.35 -0.69 0.06 0.00 -1.72 0.00 0.00 55.73 53.73 3kvu s ARG 99 Cb 0.16 -2.80 -0.01 0.00 -0.45 0.00 0.00 34.95 31.85 3kvu s ARG 99 CO 0.27 -0.08 -0.25 -0.51 -0.68 0.00 0.00 175.30 174.06 3kvu s LEU 100 N 1.10 2.10 -0.08 2.53 1.02 -0.72 -1.35 118.68 123.28 3kvu s LEU 100 Ca 0.01 -0.49 0.04 0.00 0.02 0.00 0.00 54.13 53.70 3kvu s LEU 100 Cb -0.14 -1.38 -0.00 0.00 0.02 0.00 0.00 46.19 44.68 3kvu s LEU 100 CO -0.03 0.25 -0.22 -0.55 0.02 0.00 0.00 176.35 175.83 3kvu s SER 101 N -0.21 2.80 0.03 2.29 0.15 -0.23 -0.19 113.70 118.34 3kvu s SER 101 Ca -0.02 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.20 3kvu s SER 101 Cb -0.13 -1.12 -0.02 0.00 -1.71 0.00 0.00 66.02 63.03 3kvu s SER 101 CO 0.03 0.16 -0.16 0.26 1.20 0.00 0.00 173.24 174.73 3kvu s TRP 102 N 0.25 1.42 -0.10 3.44 0.52 0.95 -0.52 118.94 124.90 3kvu s TRP 102 Ca -0.14 -0.34 -0.10 0.00 0.02 0.00 0.00 56.10 55.54 3kvu s TRP 102 Cb -0.16 -0.86 -0.05 0.00 -1.15 0.00 0.00 33.47 31.26 3kvu s TRP 102 CO 0.06 0.04 0.23 1.03 0.02 0.00 0.00 176.95 178.34 3kvu s ARG 103 N -1.03 3.77 0.18 4.98 0.52 0.18 0.02 118.95 127.57 3kvu s ARG 103 Ca 0.04 0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.39 3kvu s ARG 103 Cb -0.08 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3kvu s ARG 103 CO 0.01 0.62 -0.22 0.14 0.02 0.00 0.00 175.30 175.87 3kvu s VAL 104 N -0.66 2.46 -0.08 3.52 -7.23 -0.75 0.22 120.40 117.89 3kvu s VAL 104 Ca 0.17 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 3kvu s VAL 104 Cb -0.13 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.74 3kvu s VAL 104 CO 0.06 -0.08 0.89 -0.94 -0.31 0.00 0.00 175.10 174.71 3kvu s SER 105 N -2.59 -0.43 -0.03 4.85 1.04 -1.09 -2.28 113.70 113.16 3kvu s SER 105 Ca 0.20 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 3kvu s SER 105 Cb -0.08 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.43 3kvu s SER 105 CO 0.10 -0.50 0.11 0.00 0.98 0.00 0.00 173.24 173.92 3kvu s ALA 106 N -1.84 -0.26 -0.08 5.32 0.00 -0.51 -1.57 121.76 122.82 3kvu s ALA 106 Ca -0.01 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 3kvu s ALA 106 Cb -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.02 3kvu s ALA 106 CO -0.01 -0.08 0.21 -1.58 0.00 0.00 0.00 175.76 174.30 3kvu s HIS 107 N -0.21 -0.25 -0.29 0.00 2.46 -1.13 -0.03 115.29 115.84 3kvu s HIS 107 Ca -0.03 0.62 0.12 0.00 0.47 0.00 0.00 55.06 56.24 3kvu s HIS 107 Cb -0.02 0.04 0.77 0.00 -0.13 0.00 0.00 32.58 33.24 3kvu s HIS 107 CO 0.00 -0.16 1.77 -0.40 -2.47 0.00 0.00 174.74 173.48 3kvu n ASP 108 N 3.59 5.12 0.00 9.88 5.68 -0.45 -0.60 116.55 139.77 3kvu n ASP 108 Ca -0.19 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 50.98 3kvu n ASP 108 Cb 0.56 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3kvu n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kvu n GLY 109 N 0.10 2.10 1.32 6.12 0.00 -1.26 -4.34 105.19 109.24 3kvu n GLY 109 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3kvu n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kvu n VAL 110 N -2.00 0.05 -4.40 1.61 0.31 -1.26 -5.09 118.33 107.54 3kvu n VAL 110 Ca 0.00 0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 64.11 3kvu n VAL 110 Cb 0.00 -1.18 -0.13 0.00 -0.91 0.00 0.00 33.84 31.62 3kvu n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kvu s ASP 111 N -5.04 2.30 -0.06 4.52 1.01 -1.26 -5.09 116.67 113.04 3kvu s ASP 111 Ca 0.00 -0.59 -0.30 0.00 0.71 0.00 0.00 52.55 52.37 3kvu s ASP 111 Cb 0.00 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 3kvu s ASP 111 CO 0.00 0.07 1.53 -1.61 0.21 0.00 0.00 175.17 175.38 3kvu s GLU 112 N -1.53 4.21 -0.01 8.23 0.41 -1.26 -1.34 118.70 127.41 3kvu s GLU 112 Ca 0.05 2.05 0.20 0.00 -0.41 0.00 0.00 54.97 56.86 3kvu s GLU 112 Cb -0.09 -3.85 -0.24 0.00 -1.78 0.00 0.00 34.13 28.17 3kvu s GLU 112 CO 0.03 -0.76 0.74 0.44 -0.49 0.00 0.00 175.26 175.21 3kvu n ILE 113 N 5.27 0.00 0.00 -1.63 -5.35 0.96 -4.20 119.36 114.41 3kvu n ILE 113 Ca 0.16 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 3kvu n ILE 113 Cb 0.43 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3kvu n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kvu n GLY 114 N 1.43 2.69 3.37 3.28 0.00 -1.22 -0.91 105.19 113.83 3kvu n GLY 114 Ca 0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3kvu n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kvu s SER 115 N 0.00 -0.16 0.00 1.61 1.04 -1.18 -1.42 113.70 113.59 3kvu s SER 115 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3kvu s SER 115 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3kvu s SER 115 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3kvu n GLY 116 N -0.24 -0.52 3.24 7.32 0.00 -0.96 -1.12 105.19 112.91 3kvu n GLY 116 Ca -0.13 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 3kvu n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvu s THR 117 N -1.91 1.29 -0.03 2.61 -4.23 0.78 -1.81 115.64 112.33 3kvu s THR 117 Ca 0.00 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3kvu s THR 117 Cb 0.00 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.24 3kvu s THR 117 CO 0.00 -0.51 0.09 -2.28 -0.54 0.00 0.00 174.62 171.39 3kvu s HIS 118 N -2.46 -0.10 -0.07 3.99 5.04 0.10 -0.65 115.29 121.15 3kvu s HIS 118 Ca 0.11 0.24 0.05 0.00 -1.54 0.00 0.00 55.06 53.91 3kvu s HIS 118 Cb -0.03 0.03 -0.02 0.00 0.04 0.00 0.00 32.58 32.61 3kvu s HIS 118 CO 0.03 -0.06 -0.21 -2.00 -2.34 0.00 0.00 174.74 170.16 3kvu s GLU 119 N -0.01 2.66 0.19 2.88 2.12 -0.21 -0.03 118.70 126.30 3kvu s GLU 119 Ca -0.01 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 54.59 3kvu s GLU 119 Cb -0.01 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 3kvu s GLU 119 CO 0.00 0.42 -0.18 1.03 -0.54 0.00 0.00 175.26 175.99 3kvu s ARG 120 N -0.23 1.35 -0.11 4.30 0.52 0.74 -0.71 118.95 124.80 3kvu s ARG 120 Ca -0.01 -1.51 0.03 0.00 -0.52 0.00 0.00 55.73 53.72 3kvu s ARG 120 Cb -0.13 -1.35 -0.00 0.00 0.52 0.00 0.00 34.95 33.99 3kvu s ARG 120 CO 0.03 0.26 -0.20 0.00 0.02 0.00 0.00 175.30 175.41 3kvu s ALA 121 N -2.34 2.31 0.10 2.13 0.00 0.28 -1.75 121.76 122.50 3kvu s ALA 121 Ca 0.19 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 3kvu s ALA 121 Cb -0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 3kvu s ALA 121 CO 0.08 0.25 1.07 0.08 0.00 0.00 0.00 175.76 177.24 3kvu s VAL 122 N 0.38 4.25 0.30 0.00 1.01 0.19 -1.94 120.40 124.59 3kvu s VAL 122 Ca -0.16 1.77 0.06 0.00 0.00 0.00 0.00 61.98 63.65 3kvu s VAL 122 Cb -0.17 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 3kvu s VAL 122 CO 0.07 0.22 -0.02 0.27 0.00 0.00 0.00 175.10 175.65 3kvu s ILE 123 N 0.38 1.50 -0.36 2.22 -4.36 0.13 -4.91 121.20 115.80 3kvu s ILE 123 Ca 0.52 -2.07 -0.20 0.00 -0.26 0.00 0.00 60.65 58.64 3kvu s ILE 123 Cb -0.26 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.87 3kvu s ILE 123 CO 0.31 -0.20 0.59 -1.00 0.24 0.00 0.00 174.94 174.88 3kvu s HIS 124 N -3.10 3.15 0.06 1.37 3.76 -1.26 -0.15 115.29 119.12 3kvu s HIS 124 Ca 0.32 0.25 -0.24 0.00 -0.15 0.00 0.00 55.06 55.23 3kvu s HIS 124 Cb 0.06 -3.08 -0.17 0.00 1.11 0.00 0.00 32.58 30.50 3kvu s HIS 124 CO 0.13 -0.62 1.59 -0.07 -0.85 0.00 0.00 174.74 174.93 3kvu h LEU 125 N 9.30 -0.02 -0.59 0.89 3.38 -1.44 0.17 115.31 127.00 3kvu h LEU 125 Ca -0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3kvu h LEU 125 Cb 1.11 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3kvu h LEU 125 CO 0.82 0.13 0.29 -0.33 0.09 0.00 0.00 178.44 179.44 3kvu h GLU 126 N -0.17 0.84 0.20 1.13 5.08 -1.96 0.34 114.58 120.04 3kvu h GLU 126 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3kvu h GLU 126 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kvu h GLU 126 CO 0.00 0.67 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.37 3kvu h LYS 127 N 0.80 -0.25 -0.92 2.33 3.64 -1.89 -2.32 116.57 117.95 3kvu h LYS 127 Ca 0.20 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3kvu h LYS 127 Cb 0.10 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3kvu h LYS 127 CO -0.03 -0.07 0.61 0.35 -2.27 0.00 0.00 179.45 178.04 3kvu h PHE 128 N -0.39 1.16 -0.99 1.91 3.57 -0.48 -2.78 116.94 118.94 3kvu h PHE 128 Ca -0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3kvu h PHE 128 Cb 0.30 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3kvu h PHE 128 CO -0.03 0.73 0.65 -0.91 -2.23 0.00 0.00 178.31 176.53 3kvu h ASN 129 N 1.25 1.12 -0.40 0.41 2.35 -0.26 -1.90 115.58 118.14 3kvu h ASN 129 Ca 0.34 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.13 3kvu h ASN 129 Cb -0.14 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 37.90 3kvu h ASN 129 CO -0.07 0.79 0.05 0.00 -1.65 0.00 0.00 177.43 176.55 3kvu h ALA 130 N 1.38 0.42 -0.47 -0.83 0.00 -1.20 -1.73 119.26 116.83 3kvu h ALA 130 Ca 0.38 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.45 3kvu h ALA 130 Cb -0.10 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3kvu h ALA 130 CO -0.10 -0.35 0.13 0.87 0.00 0.00 0.00 179.25 179.80 3kvu h LYS 131 N 0.17 0.27 -0.90 0.00 1.79 -1.20 -0.70 116.57 115.99 3kvu h LYS 131 Ca 0.20 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.70 3kvu h LYS 131 Cb 0.25 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 3kvu h LYS 131 CO -0.28 0.18 0.59 -0.24 -1.08 0.00 0.00 179.45 178.62 3kvu h VAL 132 N 0.28 1.11 -0.22 0.50 3.04 -1.21 -1.84 116.25 117.91 3kvu h VAL 132 Ca 0.23 -0.37 -0.14 0.00 -1.01 0.00 0.00 66.70 65.40 3kvu h VAL 132 Cb 0.27 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 3kvu h VAL 132 CO -0.27 0.20 -0.46 0.03 -1.01 0.00 0.00 177.57 176.06 3kvu h ARG 133 N 1.09 0.56 -0.22 4.17 3.08 -0.50 -1.95 114.38 120.59 3kvu h ARG 133 Ca 0.37 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kvu h ARG 133 Cb 0.10 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3kvu h ARG 133 CO -0.13 0.90 -0.28 0.37 -1.07 0.00 0.00 179.97 179.77 3kvu h GLN 134 N 0.45 0.44 -0.01 0.04 4.15 -0.38 -2.82 115.11 116.98 3kvu h GLN 134 Ca 0.03 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3kvu h GLN 134 Cb 0.97 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.64 3kvu h GLN 134 CO 0.09 0.68 -0.14 1.17 -1.93 0.00 0.00 178.83 178.70 3kvu n LYS 135 N -4.11 0.82 -3.23 1.69 4.81 -0.78 -4.82 118.16 112.54 3kvu n LYS 135 Ca -0.01 -0.35 -0.43 0.00 -0.87 0.00 0.00 58.31 56.65 3kvu n LYS 135 Cb 0.41 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 33.89 3kvu n LYS 135 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kvu s THR 136 N -2.43 4.98 -2.00 3.15 2.01 -0.78 -5.07 115.64 115.50 3kvu s THR 136 Ca 0.29 -0.12 0.13 0.00 0.31 0.00 0.00 61.69 62.30 3kvu s THR 136 Cb 0.20 -4.10 0.37 0.00 0.01 0.00 0.00 72.50 68.99 3kvu s THR 136 CO 0.47 -0.47 1.21 -0.81 -0.69 0.00 0.00 174.62 174.33