#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 1.90 0.20 2.12 3.03 -1.26 -4.96 118.95 119.98 3kvu s ARG 6 Ca 0.00 -1.09 -0.31 0.00 2.03 0.00 0.00 55.73 56.36 3kvu s ARG 6 Cb 0.00 -2.12 -0.16 0.00 -1.03 0.00 0.00 34.95 31.65 3kvu s ARG 6 CO 0.00 0.51 1.02 0.28 -1.13 0.00 0.00 175.30 175.98 3kvu n VAL 7 N 1.30 1.32 0.00 4.99 0.31 -1.26 -2.04 118.33 122.96 3kvu n VAL 7 Ca -0.16 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 3kvu n VAL 7 Cb 0.52 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3kvu n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kvu n GLY 8 N 1.76 2.97 3.68 2.92 0.00 0.42 -5.01 105.19 111.93 3kvu n GLY 8 Ca 0.14 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.16 1.71 -4.39 1.61 4.07 -0.86 -4.66 120.64 116.96 3kvu n GLU 9 Ca 0.00 0.62 -0.20 0.00 -0.06 0.00 0.00 57.16 57.52 3kvu n GLU 9 Cb 0.00 -2.38 -0.15 0.00 -0.06 0.00 0.00 31.44 28.84 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 3.13 0.95 -0.01 5.31 3.52 -1.26 -0.56 118.95 130.03 3kvu s ARG 10 Ca 0.92 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 3kvu s ARG 10 Cb -0.85 -0.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.65 3kvu s ARG 10 CO 0.54 0.11 -0.05 0.12 -0.81 0.00 0.00 175.30 175.22 3kvu s PHE 11 N 0.19 0.52 -0.08 5.12 5.36 -0.15 -4.98 117.98 123.95 3kvu s PHE 11 Ca -0.03 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 3kvu s PHE 11 Cb -0.08 -0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 42.22 3kvu s PHE 11 CO 0.00 -0.04 -0.20 0.99 -1.46 0.00 0.00 175.22 174.51 3kvu s THR 12 N 0.07 2.45 -0.04 0.12 2.01 -1.26 -0.82 115.64 118.17 3kvu s THR 12 Ca -0.00 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3kvu s THR 12 Cb -0.04 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.53 3kvu s THR 12 CO -0.00 0.56 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.14 3kvu s HIS 13 N 0.01 0.86 -0.02 4.92 2.46 0.56 -4.96 115.29 119.11 3kvu s HIS 13 Ca -0.07 -0.25 -0.02 0.00 0.47 0.00 0.00 55.06 55.19 3kvu s HIS 13 Cb -0.15 -0.70 -0.04 0.00 -0.13 0.00 0.00 32.58 31.56 3kvu s HIS 13 CO 0.05 -0.18 0.11 -0.51 -2.47 0.00 0.00 174.74 171.74 3kvu s ASP 14 N 0.72 5.92 -0.06 9.88 -0.00 -1.26 -0.46 116.67 131.42 3kvu s ASP 14 Ca -0.11 0.24 -0.02 0.00 -0.00 0.00 0.00 52.55 52.66 3kvu s ASP 14 Cb -0.13 -1.77 0.04 0.00 -0.00 0.00 0.00 42.92 41.05 3kvu s ASP 14 CO 0.01 0.29 0.11 0.12 -0.00 0.00 0.00 175.17 175.70 3kvu s PHE 15 N -1.19 -0.06 -0.19 4.23 5.36 0.17 -4.98 117.98 121.32 3kvu s PHE 15 Ca 0.23 0.41 -0.28 0.00 -0.96 0.00 0.00 56.93 56.32 3kvu s PHE 15 Cb -0.12 -0.32 -0.00 0.00 -0.34 0.00 0.00 43.02 42.24 3kvu s PHE 15 CO 0.13 -0.21 0.96 0.08 -1.46 0.00 0.00 175.22 174.73 3kvu s VAL 16 N 1.96 4.77 -0.20 3.12 1.01 -1.26 0.14 120.40 129.94 3kvu s VAL 16 Ca 0.01 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 3kvu s VAL 16 Cb -0.12 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3kvu s VAL 16 CO -0.04 -0.08 1.55 -0.69 0.00 0.00 0.00 175.10 175.84 3kvu s VAL 17 N 2.66 3.78 0.49 2.92 1.01 0.12 -4.95 120.40 126.43 3kvu s VAL 17 Ca 0.43 0.90 0.05 0.00 0.00 0.00 0.00 61.98 63.36 3kvu s VAL 17 Cb -0.16 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3kvu s VAL 17 CO 0.10 -0.26 0.68 -2.16 0.00 0.00 0.00 175.10 173.46 3kvu s PRO 18 N 4.40 2.65 0.41 2.72 0.04 -1.26 -0.09 135.00 143.87 3kvu s PRO 18 Ca 0.68 -1.06 0.29 0.00 0.04 0.00 0.00 61.00 60.95 3kvu s PRO 18 Cb -0.25 -2.63 1.32 0.00 0.04 0.00 0.00 34.50 32.98 3kvu s PRO 18 CO 0.27 -0.52 1.87 -1.35 0.04 0.00 0.00 177.00 177.30 3kvu h PRO 19 N 0.34 0.00 -0.75 0.56 0.11 -1.95 -2.84 132.00 127.47 3kvu h PRO 19 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3kvu h PRO 19 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kvu h PRO 19 CO 0.48 0.00 0.01 -2.39 -0.21 0.00 0.00 178.00 175.88 3kvu n HIS 20 N -2.59 1.28 -1.76 0.65 1.44 -1.26 -3.73 115.22 109.25 3kvu n HIS 20 Ca 0.00 -0.45 -0.04 0.00 -2.01 0.00 0.00 57.72 55.22 3kvu n HIS 20 Cb 0.19 -0.36 0.14 0.00 0.12 0.00 0.00 29.99 30.09 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 0.36 2.27 -2.72 -1.40 4.76 -1.07 -4.73 118.16 115.63 3kvu n LYS 21 Ca 0.17 -3.59 -0.21 0.00 -2.87 0.00 0.00 58.31 51.81 3kvu n LYS 21 Cb 0.83 -1.83 0.05 0.00 -1.84 0.00 0.00 35.03 32.24 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 -3.67 2.59 0.18 -0.18 -4.23 -1.24 -2.14 115.64 106.95 3kvu s THR 22 Ca 0.42 -0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 3kvu s THR 22 Cb 0.38 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 71.51 3kvu s THR 22 CO -0.03 0.00 1.64 0.58 -0.54 0.00 0.00 174.62 176.27 3kvu h VAL 23 N 0.07 0.44 -0.47 2.29 2.07 -1.66 -2.01 116.25 116.97 3kvu h VAL 23 Ca -0.40 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kvu h VAL 23 Cb 1.29 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3kvu h VAL 23 CO 0.48 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 178.29 3kvu h ARG 24 N -0.06 0.57 0.00 1.57 2.43 -1.88 -2.78 114.38 114.23 3kvu h ARG 24 Ca 0.23 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 3kvu h ARG 24 Cb 0.41 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3kvu h ARG 24 CO -0.52 0.38 -0.55 0.45 -1.51 0.00 0.00 179.97 178.22 3kvu h HIS 25 N 0.59 0.00 -0.22 2.20 3.86 -1.67 -2.35 115.15 117.56 3kvu h HIS 25 Ca 0.18 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3kvu h HIS 25 Cb -0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3kvu h HIS 25 CO -0.00 0.55 0.13 1.25 0.86 0.00 0.00 177.93 180.72 3kvu h LEU 26 N 0.00 0.22 -6.78 2.43 5.85 -1.26 -3.36 115.31 112.40 3kvu h LEU 26 Ca -0.01 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.11 3kvu h LEU 26 Cb 1.40 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 41.98 3kvu h LEU 26 CO 0.07 0.16 -0.76 -0.31 -0.34 0.00 0.00 178.44 177.26 3kvu s TYR 27 N -6.17 2.33 -0.29 1.25 2.02 -1.23 -4.92 117.35 110.33 3kvu s TYR 27 Ca -0.13 -2.79 0.22 0.00 -0.37 0.00 0.00 57.07 54.00 3kvu s TYR 27 Cb 0.09 -1.86 1.11 0.00 -0.40 0.00 0.00 41.96 40.90 3kvu s TYR 27 CO 0.69 -0.70 1.68 -2.30 -1.57 0.00 0.00 175.55 173.36 3kvu n PRO 28 N 2.58 0.16 0.25 -1.71 -0.02 -0.88 -0.94 135.00 134.44 3kvu n PRO 28 Ca 0.22 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.41 3kvu n PRO 28 Cb 0.40 -1.93 0.55 0.00 -0.02 0.00 0.00 33.50 32.50 3kvu n PRO 28 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kvu h GLU 29 N 0.00 0.00 -5.87 -0.52 3.07 -1.91 -3.45 114.58 105.90 3kvu h GLU 29 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 3kvu h GLU 29 Cb 0.13 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.95 3kvu h GLU 29 CO 0.00 0.08 0.50 0.45 -1.40 0.00 0.00 179.01 178.64 3kvu s SER 30 N -5.93 6.76 0.48 1.42 0.15 -0.11 -4.92 113.70 111.54 3kvu s SER 30 Ca 0.02 0.83 0.27 0.00 0.70 0.00 0.00 55.95 57.77 3kvu s SER 30 Cb 0.09 -2.44 0.87 0.00 -1.71 0.00 0.00 66.02 62.83 3kvu s SER 30 CO 0.59 -0.64 1.80 1.55 1.20 0.00 0.00 173.24 177.74 3kvu h PRO 31 N 7.99 0.00 -0.59 5.44 0.13 -1.87 -2.00 132.00 141.10 3kvu h PRO 31 Ca -0.23 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.81 3kvu h PRO 31 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3kvu h PRO 31 CO 0.91 0.08 0.01 0.93 -0.23 0.00 0.00 178.00 179.70 3kvu h GLU 32 N 0.00 1.04 0.00 0.86 3.07 -1.95 -2.84 114.58 114.75 3kvu h GLU 32 Ca -0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3kvu h GLU 32 Cb 0.77 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3kvu h GLU 32 CO 0.01 1.02 0.00 0.74 -1.40 0.00 0.00 179.01 179.38 3kvu h PHE 33 N 0.93 0.00 0.00 4.33 0.04 -1.73 -2.79 116.94 117.72 3kvu h PHE 33 Ca 0.17 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 3kvu h PHE 33 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 3kvu h PHE 33 CO 0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 178.31 177.74 3kvu h ALA 34 N 2.35 1.05 -0.31 2.45 0.00 -1.12 -2.25 119.26 121.43 3kvu h ALA 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kvu h ALA 34 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kvu h ALA 34 CO 0.00 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.65 3kvu n GLU 35 N -3.17 2.89 -2.17 0.00 -0.58 -1.05 -5.01 120.64 111.54 3kvu n GLU 35 Ca -0.02 -2.27 -0.33 0.00 -0.42 0.00 0.00 57.16 54.12 3kvu n GLU 35 Cb 0.14 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.56 3.05 0.47 -0.32 0.40 -0.85 -5.03 117.98 114.15 3kvu s PHE 36 Ca 0.28 1.52 -0.21 0.00 -0.60 0.00 0.00 56.93 57.91 3kvu s PHE 36 Cb 0.18 -2.99 -0.10 0.00 0.51 0.00 0.00 43.02 40.62 3kvu s PHE 36 CO 0.13 -0.97 0.68 -2.30 0.70 0.00 0.00 175.22 173.46 3kvu n PRO 37 N -1.80 0.76 -2.82 0.24 -0.01 -1.26 -4.88 135.00 125.23 3kvu n PRO 37 Ca 0.09 0.28 -0.43 0.00 -0.01 0.00 0.00 63.50 63.42 3kvu n PRO 37 Cb 0.53 -1.73 -0.01 0.00 -0.01 0.00 0.00 33.50 32.28 3kvu n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 175.50 174.28 3kvu s GLU 38 N -1.90 3.93 0.10 -0.52 0.41 -1.26 -4.57 118.70 114.89 3kvu s GLU 38 Ca 0.66 -2.15 0.06 0.00 -0.41 0.00 0.00 54.97 53.12 3kvu s GLU 38 Cb -0.54 -5.18 -0.03 0.00 -1.78 0.00 0.00 34.13 26.60 3kvu s GLU 38 CO 0.56 -1.93 -0.14 0.14 -0.49 0.00 0.00 175.26 173.40 3kvu s VAL 39 N 2.76 1.24 -0.40 2.63 -7.23 -1.26 -4.29 120.40 113.84 3kvu s VAL 39 Ca 0.44 -1.56 -0.40 0.00 -1.81 0.00 0.00 61.98 58.65 3kvu s VAL 39 Cb -0.01 -1.36 -0.15 0.00 0.56 0.00 0.00 36.38 35.42 3kvu s VAL 39 CO -0.01 -0.35 2.09 0.33 -0.31 0.00 0.00 175.10 176.86 3kvu n PHE 40 N 0.81 1.50 -2.01 2.82 7.35 0.11 -2.09 117.46 125.95 3kvu n PHE 40 Ca -0.18 0.53 -0.37 0.00 -0.76 0.00 0.00 57.45 56.68 3kvu n PHE 40 Cb 0.56 -2.42 0.02 0.00 0.35 0.00 0.00 39.48 38.00 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 6.17 2.73 0.19 3.13 0.00 -0.91 -4.73 121.76 128.34 3kvu s ALA 41 Ca 1.12 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 54.02 3kvu s ALA 41 Cb -1.16 -3.47 0.19 0.00 0.00 0.00 0.00 23.12 18.69 3kvu s ALA 41 CO 0.59 -1.09 1.67 0.77 0.00 0.00 0.00 175.76 177.69 3kvu h SER 42 N 1.34 -0.32 -0.73 0.00 0.02 -1.94 -0.86 113.55 111.06 3kvu h SER 42 Ca -0.50 0.14 0.20 0.00 -0.84 0.00 0.00 61.79 60.78 3kvu h SER 42 Cb 1.29 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.05 3kvu h SER 42 CO 0.57 -0.12 0.52 1.23 -1.14 0.00 0.00 176.83 177.89 3kvu h GLY 43 N 0.07 0.14 1.12 -3.77 0.00 -1.99 0.31 103.07 98.95 3kvu h GLY 43 Ca 0.26 -0.03 -0.30 0.00 0.00 0.00 0.00 47.33 47.25 3kvu h GLY 43 CO -0.47 0.00 -1.62 0.74 0.00 0.00 0.00 176.54 175.20 3kvu h PHE 44 N 0.07 0.29 -0.71 5.60 0.04 -1.76 -2.11 116.94 118.36 3kvu h PHE 44 Ca 0.35 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 3kvu h PHE 44 Cb 1.30 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.40 3kvu h PHE 44 CO -0.00 1.31 0.44 1.98 -0.60 0.00 0.00 178.31 181.44 3kvu h MET 45 N 0.04 0.96 -0.79 1.51 4.05 -0.10 -1.56 114.93 119.05 3kvu h MET 45 Ca -0.27 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.06 3kvu h MET 45 Cb 2.00 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 32.56 3kvu h MET 45 CO 0.12 0.67 0.46 0.28 0.23 0.00 0.00 176.91 178.67 3kvu h VAL 46 N 0.97 1.23 -0.44 -5.77 2.07 -0.43 0.06 116.25 113.95 3kvu h VAL 46 Ca 0.26 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3kvu h VAL 46 Cb -0.05 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3kvu h VAL 46 CO -0.05 0.25 0.20 1.23 0.02 0.00 0.00 177.57 179.21 3kvu h GLY 47 N 1.09 0.68 1.01 2.17 0.00 -1.06 0.11 103.07 107.07 3kvu h GLY 47 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3kvu h GLY 47 CO -0.05 0.33 0.48 -2.00 0.00 0.00 0.00 176.54 175.31 3kvu h LEU 48 N 0.56 0.97 -0.58 3.11 5.85 -0.70 0.16 115.31 124.67 3kvu h LEU 48 Ca 0.15 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3kvu h LEU 48 Cb 0.15 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kvu h LEU 48 CO -0.02 0.75 0.23 0.24 -0.34 0.00 0.00 178.44 179.31 3kvu h MET 49 N 1.10 0.87 -0.75 1.25 2.86 -0.20 -0.84 114.93 119.23 3kvu h MET 49 Ca 0.29 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3kvu h MET 49 Cb -0.04 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 3kvu h MET 49 CO -0.05 0.75 0.34 0.93 1.06 0.00 0.00 176.91 179.94 3kvu h GLU 50 N 0.81 1.09 -0.93 1.72 5.08 -0.05 -2.55 114.58 119.75 3kvu h GLU 50 Ca 0.19 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3kvu h GLU 50 Cb 0.20 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 3kvu h GLU 50 CO -0.02 0.86 0.60 2.35 -1.00 0.00 0.00 179.01 181.81 3kvu h TRP 51 N 1.06 1.05 -0.67 4.33 7.01 -0.27 -0.27 115.95 128.18 3kvu h TRP 51 Ca 0.25 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.21 3kvu h TRP 51 Cb 0.15 -0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 3kvu h TRP 51 CO 0.01 0.51 0.13 0.00 -2.79 0.00 0.00 178.44 176.30 3kvu h ALA 52 N 1.52 0.88 -0.25 2.65 0.00 -0.74 -1.60 119.26 121.72 3kvu h ALA 52 Ca 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kvu h ALA 52 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kvu h ALA 52 CO -0.18 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.78 3kvu h VAL 54 N 0.24 0.75 -0.32 0.00 2.07 -0.86 -0.93 116.25 117.20 3kvu h VAL 54 Ca 0.08 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 3kvu h VAL 54 Cb 0.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3kvu h VAL 54 CO -0.00 0.07 -0.33 -0.09 0.02 0.00 0.00 177.57 177.24 3kvu h ARG 55 N 0.39 0.70 0.00 1.57 2.43 -1.17 -2.13 114.38 116.17 3kvu h ARG 55 Ca 0.31 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3kvu h ARG 55 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3kvu h ARG 55 CO -0.32 0.93 -0.18 0.00 -1.51 0.00 0.00 179.97 178.89 3kvu h ALA 56 N 1.04 1.69 0.00 2.80 0.00 -0.17 -3.14 119.26 121.48 3kvu h ALA 56 Ca 0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3kvu h ALA 56 Cb 0.84 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3kvu h ALA 56 CO 0.07 0.22 -0.93 0.52 0.00 0.00 0.00 179.25 179.13 3kvu h MET 57 N 0.00 0.00 -0.67 0.00 2.86 -0.78 -3.40 114.93 112.95 3kvu h MET 57 Ca -0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3kvu h MET 57 Cb 0.31 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.86 3kvu h MET 57 CO 0.02 0.71 0.04 0.00 1.06 0.00 0.00 176.91 178.74 3kvu h ALA 58 N 1.22 0.71 0.00 6.32 0.00 -1.35 0.40 119.26 126.55 3kvu h ALA 58 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kvu h ALA 58 Cb 1.64 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3kvu h ALA 58 CO 0.09 -0.39 0.00 -1.35 0.00 0.00 0.00 179.25 177.61 3kvu h PRO 59 N 0.14 0.00 -0.05 0.00 0.11 -1.79 -2.65 132.00 127.77 3kvu h PRO 59 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3kvu h PRO 59 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kvu h PRO 59 CO -0.55 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.90 3kvu n TYR 60 N -2.69 0.03 -3.89 0.65 4.01 0.14 -4.96 117.16 110.44 3kvu n TYR 60 Ca -0.02 -0.02 -0.34 0.00 -0.16 0.00 0.00 57.90 57.36 3kvu n TYR 60 Cb 0.06 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.54 4.37 0.56 7.72 1.43 -1.00 -4.96 118.68 125.27 3kvu s LEU 61 Ca 0.22 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3kvu s LEU 61 Cb 0.16 -2.60 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 3kvu s LEU 61 CO 0.23 0.27 0.87 -1.61 0.23 0.00 0.00 176.35 176.34 3kvu s GLU 62 N -1.89 3.06 0.28 1.70 0.41 -1.26 -4.95 118.70 116.05 3kvu s GLU 62 Ca 0.27 0.03 -0.30 0.00 -0.41 0.00 0.00 54.97 54.55 3kvu s GLU 62 Cb -0.13 -2.30 -0.13 0.00 -1.78 0.00 0.00 34.13 29.80 3kvu s GLU 62 CO 0.18 -0.58 1.43 -2.30 -0.49 0.00 0.00 175.26 173.50 3kvu n PRO 63 N -2.50 2.21 0.00 0.39 -0.02 -1.26 -1.56 135.00 132.27 3kvu n PRO 63 Ca 0.04 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3kvu n PRO 63 Cb 0.57 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.83 1.97 3.90 -1.23 0.00 -1.26 -5.05 105.19 105.35 3kvu n GLY 64 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.98 3.51 0.00 1.61 2.02 -0.60 -1.14 118.70 123.12 3kvu s GLU 65 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3kvu s GLU 65 Cb 0.00 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.19 3kvu s GLU 65 CO 0.00 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3kvu n GLY 66 N 0.69 4.87 3.37 -1.39 0.00 0.66 -4.76 105.19 108.63 3kvu n GLY 66 Ca -0.08 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 1.05 -0.38 -0.03 1.61 1.04 -1.26 -0.30 113.70 115.44 3kvu s SER 67 Ca 0.00 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.55 3kvu s SER 67 Cb 0.00 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3kvu s SER 67 CO 0.00 -0.72 -0.13 -0.76 0.98 0.00 0.00 173.24 172.61 3kvu s LEU 68 N -2.06 1.91 0.11 2.42 1.43 -0.50 -4.94 118.68 117.06 3kvu s LEU 68 Ca -0.05 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.49 3kvu s LEU 68 Cb -0.01 -0.74 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 3kvu s LEU 68 CO -0.03 0.13 1.32 -0.83 0.23 0.00 0.00 176.35 177.17 3kvu s GLY 69 N -0.05 2.17 0.00 -3.19 0.00 -1.26 -0.40 107.32 104.60 3kvu s GLY 69 Ca -0.00 1.04 0.03 0.00 0.00 0.00 0.00 44.72 45.78 3kvu s GLY 69 CO 0.01 2.21 0.14 -1.30 0.00 0.00 0.00 173.10 174.16 3kvu n THR 70 N 3.74 0.00 -3.49 0.90 -2.24 0.23 -4.91 114.28 108.51 3kvu n THR 70 Ca 0.10 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 3kvu n THR 70 Cb 0.44 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 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 -1.23 -1.64 -0.09 6.98 0.00 -1.11 -4.91 121.76 119.75 3kvu s ALA 71 Ca 0.01 0.89 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 3kvu s ALA 71 Cb 0.02 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.59 3kvu s ALA 71 CO 0.12 -0.55 0.23 -1.50 0.00 0.00 0.00 175.76 174.05 3kvu s ILE 72 N -2.40 -0.03 -0.35 0.00 1.10 -1.26 -0.76 121.20 117.50 3kvu s ILE 72 Ca -0.05 0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.19 3kvu s ILE 72 Cb -0.00 -0.34 0.14 0.00 0.15 0.00 0.00 42.46 42.40 3kvu s ILE 72 CO -0.01 0.04 0.28 0.00 -2.11 0.00 0.00 174.94 173.14 3kvu s VAL 74 N 1.46 0.14 0.34 0.00 -7.23 -1.26 -1.27 120.40 112.57 3kvu s VAL 74 Ca 0.16 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 3kvu s VAL 74 Cb -0.18 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 3kvu s VAL 74 CO -0.08 -0.62 0.50 0.42 -0.31 0.00 0.00 175.10 175.02 3kvu s THR 75 N -3.97 4.49 -0.30 5.32 -4.23 -0.65 -4.94 115.64 111.36 3kvu s THR 75 Ca 0.15 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3kvu s THR 75 Cb 0.07 -3.60 0.10 0.00 1.34 0.00 0.00 72.50 70.41 3kvu s THR 75 CO -0.04 -0.30 0.12 -2.28 -0.54 0.00 0.00 174.62 171.58 3kvu s HIS 76 N -2.24 1.07 -1.42 3.99 2.46 -1.26 -3.57 115.29 114.32 3kvu s HIS 76 Ca 0.42 -1.37 0.14 0.00 0.47 0.00 0.00 55.06 54.72 3kvu s HIS 76 Cb -0.10 -1.34 0.04 0.00 -0.13 0.00 0.00 32.58 31.06 3kvu s HIS 76 CO 0.33 -0.85 0.83 0.25 -2.47 0.00 0.00 174.74 172.82 3kvu n THR 77 N 4.99 0.00 -3.58 0.89 -2.24 0.80 -4.97 114.28 110.17 3kvu n THR 77 Ca -0.03 -0.42 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 3kvu n THR 77 Cb 0.42 1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.45 -1.52 0.09 6.98 0.00 -1.23 -4.96 121.76 119.67 3kvu s ALA 78 Ca 0.13 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3kvu s ALA 78 Cb 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3kvu s ALA 78 CO 0.27 -0.35 0.20 0.00 0.00 0.00 0.00 175.76 175.87 3kvu s ALA 79 N -1.29 3.89 -0.12 0.00 0.00 -1.26 -4.78 121.76 118.20 3kvu s ALA 79 Ca -0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 3kvu s ALA 79 Cb -0.01 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.44 3kvu s ALA 79 CO 0.08 0.72 0.05 0.99 0.00 0.00 0.00 175.76 177.61 3kvu s THR 80 N -1.56 0.14 0.65 0.00 2.01 -1.26 -5.02 115.64 110.59 3kvu s THR 80 Ca 0.34 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.24 3kvu s THR 80 Cb -0.12 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.87 3kvu s THR 80 CO 0.27 -0.03 0.95 -2.16 -0.69 0.00 0.00 174.62 172.96 3kvu s PRO 81 N 2.05 2.56 0.83 4.92 0.04 -1.26 0.09 135.00 144.22 3kvu s PRO 81 Ca 0.03 -0.14 -0.12 0.00 0.04 0.00 0.00 61.00 60.81 3kvu s PRO 81 Cb -0.14 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.26 3kvu s PRO 81 CO -0.06 -0.96 1.15 -2.14 0.04 0.00 0.00 177.00 175.02 3kvu s PRO 82 N -5.11 1.63 0.00 0.56 0.02 -1.26 -3.67 135.00 127.17 3kvu s PRO 82 Ca 0.57 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3kvu s PRO 82 Cb -0.11 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3kvu s PRO 82 CO 0.45 -2.17 0.00 0.41 -0.33 0.00 0.00 177.00 175.36 3kvu n GLY 83 N -0.05 2.50 3.83 0.52 0.00 0.87 -5.01 105.19 107.85 3kvu n GLY 83 Ca 0.12 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 3.69 -0.23 0.99 1.43 -1.24 -4.76 118.68 118.56 3kvu s LEU 84 Ca 0.00 1.65 -0.14 0.00 -1.03 0.00 0.00 54.13 54.61 3kvu s LEU 84 Cb 0.00 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 3kvu s LEU 84 CO 0.00 -0.62 0.33 -0.89 0.23 0.00 0.00 176.35 175.39 3kvu s THR 85 N -2.46 5.24 -0.22 5.49 2.01 -1.26 0.13 115.64 124.56 3kvu s THR 85 Ca 0.61 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 3kvu s THR 85 Cb -0.11 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3kvu s THR 85 CO 0.27 0.25 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 3kvu s VAL 86 N 1.46 5.10 -0.17 3.82 1.01 0.37 -3.73 120.40 128.26 3kvu s VAL 86 Ca 0.15 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3kvu s VAL 86 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3kvu s VAL 86 CO 0.08 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.62 3kvu s THR 87 N 0.79 3.53 -0.11 3.92 2.01 -0.34 0.45 115.64 125.88 3kvu s THR 87 Ca 0.06 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 3kvu s THR 87 Cb -0.13 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 3kvu s THR 87 CO 0.02 0.47 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 3kvu s VAL 88 N 0.77 4.17 -0.12 3.82 1.01 0.40 -1.90 120.40 128.56 3kvu s VAL 88 Ca -0.02 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3kvu s VAL 88 Cb -0.15 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3kvu s VAL 88 CO 0.02 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.61 3kvu s THR 89 N -0.39 2.60 -0.10 3.92 2.01 -0.64 -0.32 115.64 122.73 3kvu s THR 89 Ca 0.07 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.29 3kvu s THR 89 Cb -0.12 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.33 3kvu s THR 89 CO 0.02 0.54 -0.23 0.00 -0.69 0.00 0.00 174.62 174.26 3kvu s ALA 90 N 0.35 2.13 -0.06 7.40 0.00 -0.00 -1.71 121.76 129.86 3kvu s ALA 90 Ca -0.15 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3kvu s ALA 90 Cb -0.17 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.16 3kvu s ALA 90 CO 0.07 0.26 -0.06 -2.00 0.00 0.00 0.00 175.76 174.03 3kvu s GLU 91 N 0.39 1.12 -0.06 0.00 2.12 -0.39 -0.98 118.70 120.90 3kvu s GLU 91 Ca -0.18 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 3kvu s GLU 91 Cb -0.18 -1.10 -0.02 0.00 0.26 0.00 0.00 34.13 33.09 3kvu s GLU 91 CO 0.08 -0.10 1.06 -1.17 -0.54 0.00 0.00 175.26 174.59 3kvu s LEU 92 N 1.07 4.29 -0.08 2.70 2.96 0.27 -0.08 118.68 129.81 3kvu s LEU 92 Ca -0.08 1.66 0.09 0.00 -0.22 0.00 0.00 54.13 55.58 3kvu s LEU 92 Cb -0.14 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.85 3kvu s LEU 92 CO -0.01 -0.43 0.07 0.54 -1.32 0.00 0.00 176.35 175.20 3kvu n ARG 93 N 4.70 1.98 -3.54 1.98 5.12 0.07 -0.44 116.66 126.53 3kvu n ARG 93 Ca 0.09 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.83 3kvu n ARG 93 Cb 0.49 -1.26 -0.06 0.00 -1.16 0.00 0.00 32.46 30.47 3kvu n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kvu s SER 94 N -4.07 -0.56 -0.18 0.55 1.04 -1.06 -4.91 113.70 104.51 3kvu s SER 94 Ca -0.05 0.62 -0.01 0.00 0.48 0.00 0.00 55.95 56.99 3kvu s SER 94 Cb 0.04 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.68 3kvu s SER 94 CO 0.42 -0.51 -0.03 -0.69 0.98 0.00 0.00 173.24 173.42 3kvu s VAL 95 N -1.13 0.99 -0.45 5.02 1.01 -1.26 -1.14 120.40 123.45 3kvu s VAL 95 Ca -0.08 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3kvu s VAL 95 Cb -0.00 -1.28 0.12 0.00 0.00 0.00 0.00 36.38 35.21 3kvu s VAL 95 CO 0.07 -0.01 0.18 -1.83 0.00 0.00 0.00 175.10 173.51 3kvu s GLU 96 N 1.66 1.81 6.48 2.72 -1.05 -0.82 -5.02 118.70 124.49 3kvu s GLU 96 Ca -0.01 -2.27 0.00 0.00 -0.15 0.00 0.00 54.97 52.54 3kvu s GLU 96 Cb -0.16 -3.31 0.00 0.00 -0.44 0.00 0.00 34.13 30.21 3kvu s GLU 96 CO -0.07 -1.04 0.00 0.41 0.95 0.00 0.00 175.26 175.51 3kvu n GLY 97 N 3.67 0.98 0.00 -3.83 0.00 -1.26 -2.31 105.19 102.44 3kvu n GLY 97 Ca 0.04 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3kvu n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kvu n ARG 98 N 12.31 0.97 -3.75 1.61 1.85 -1.26 -4.84 116.66 123.55 3kvu n ARG 98 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 3kvu n ARG 98 Cb 0.00 -1.38 -0.12 0.00 -1.05 0.00 0.00 32.46 29.91 3kvu n ARG 98 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kvu s ARG 99 N -2.00 3.26 -0.13 2.89 6.06 -0.98 -0.43 118.95 127.62 3kvu s ARG 99 Ca 0.35 -0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 52.81 3kvu s ARG 99 Cb 0.16 -3.37 -0.03 0.00 0.06 0.00 0.00 34.95 31.77 3kvu s ARG 99 CO 0.27 -0.37 -0.05 -0.51 -2.50 0.00 0.00 175.30 172.13 3kvu s LEU 100 N 1.54 3.18 -0.08 -0.88 1.02 -0.08 -1.95 118.68 121.43 3kvu s LEU 100 Ca 0.04 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.07 3kvu s LEU 100 Cb -0.17 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 3kvu s LEU 100 CO 0.03 0.21 -0.08 -0.55 0.02 0.00 0.00 176.35 175.98 3kvu s SER 101 N 0.11 4.53 -0.02 2.29 0.15 -0.29 -0.63 113.70 119.85 3kvu s SER 101 Ca -0.02 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.57 3kvu s SER 101 Cb -0.14 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.93 3kvu s SER 101 CO 0.03 0.32 -0.07 0.26 1.20 0.00 0.00 173.24 174.98 3kvu s TRP 102 N -0.55 0.74 -0.05 3.44 0.52 -0.83 -0.75 118.94 121.46 3kvu s TRP 102 Ca 0.08 -0.17 -0.20 0.00 0.02 0.00 0.00 56.10 55.83 3kvu s TRP 102 Cb -0.12 -0.55 -0.05 0.00 -1.15 0.00 0.00 33.47 31.61 3kvu s TRP 102 CO 0.02 -0.09 0.58 0.50 0.02 0.00 0.00 176.95 177.98 3kvu s ARG 103 N 0.27 4.33 -0.02 4.98 3.52 0.89 -0.76 118.95 132.17 3kvu s ARG 103 Ca -0.04 0.67 0.06 0.00 -0.13 0.00 0.00 55.73 56.30 3kvu s ARG 103 Cb -0.08 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3kvu s ARG 103 CO 0.00 0.26 -0.21 0.14 -0.81 0.00 0.00 175.30 174.68 3kvu s VAL 104 N 0.19 1.66 0.04 7.11 -7.23 0.41 -1.26 120.40 121.32 3kvu s VAL 104 Ca 0.31 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.55 3kvu s VAL 104 Cb -0.17 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 3kvu s VAL 104 CO 0.15 0.47 0.03 -0.94 -0.31 0.00 0.00 175.10 174.50 3kvu s SER 105 N -0.47 0.31 0.02 4.85 1.04 -0.69 -1.16 113.70 117.60 3kvu s SER 105 Ca 0.07 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.79 3kvu s SER 105 Cb -0.08 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3kvu s SER 105 CO -0.01 -0.53 -0.05 0.00 0.98 0.00 0.00 173.24 173.63 3kvu s ALA 106 N -3.06 0.39 -0.00 5.32 0.00 0.35 -1.62 121.76 123.13 3kvu s ALA 106 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kvu s ALA 106 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 3kvu s ALA 106 CO -0.07 -0.03 -0.03 -1.58 0.00 0.00 0.00 175.76 174.05 3kvu s HIS 107 N -1.05 0.28 -0.31 0.00 2.46 -0.80 -0.91 115.29 114.97 3kvu s HIS 107 Ca -0.08 -0.05 0.10 0.00 0.47 0.00 0.00 55.06 55.50 3kvu s HIS 107 Cb -0.08 -0.18 0.70 0.00 -0.13 0.00 0.00 32.58 32.89 3kvu s HIS 107 CO -0.00 -0.01 1.74 -0.40 -2.47 0.00 0.00 174.74 173.60 3kvu n ASP 108 N 3.01 4.46 0.00 9.88 5.68 -0.02 -1.19 116.55 138.37 3kvu n ASP 108 Ca -0.13 -3.27 0.00 0.00 -0.50 0.00 0.00 54.79 50.89 3kvu n ASP 108 Cb 0.59 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 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 -0.34 2.95 0.73 6.12 0.00 -1.24 -4.36 105.19 109.05 3kvu n GLY 109 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 0.38 -4.19 1.61 0.31 -1.26 -5.09 118.33 108.09 3kvu n VAL 110 Ca 0.00 -0.10 -0.19 0.00 -0.01 0.00 0.00 64.34 64.04 3kvu n VAL 110 Cb 0.00 -1.53 -0.12 0.00 -0.91 0.00 0.00 33.84 31.28 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 -5.55 1.80 0.18 4.52 1.01 -1.26 -5.11 116.67 112.25 3kvu s ASP 111 Ca -0.10 -0.63 -0.32 0.00 0.71 0.00 0.00 52.55 52.22 3kvu s ASP 111 Cb 0.04 -0.06 -0.11 0.00 1.01 0.00 0.00 42.92 43.79 3kvu s ASP 111 CO 0.12 -0.06 1.76 -0.70 0.21 0.00 0.00 175.17 176.50 3kvu s GLU 112 N -1.78 4.13 -0.01 8.23 2.12 -1.26 -0.84 118.70 129.29 3kvu s GLU 112 Ca -0.01 2.61 0.13 0.00 0.36 0.00 0.00 54.97 58.06 3kvu s GLU 112 Cb -0.10 -3.25 -0.16 0.00 0.26 0.00 0.00 34.13 30.88 3kvu s GLU 112 CO 0.03 -0.78 0.48 0.44 -0.54 0.00 0.00 175.26 174.88 3kvu n ILE 113 N 4.24 0.00 0.00 -3.70 -5.35 -0.09 -4.24 119.36 110.23 3kvu n ILE 113 Ca 0.17 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3kvu n ILE 113 Cb 0.36 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.48 3.42 3.28 0.00 -1.19 -0.14 105.19 113.46 3kvu n GLY 114 Ca 0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.54 0.00 1.61 1.04 -1.23 -0.50 113.70 114.08 3kvu s SER 115 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3kvu s SER 115 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 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 -0.21 -0.37 3.28 7.32 0.00 -0.31 -1.63 105.19 113.26 3kvu n GLY 116 Ca -0.17 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.88 1.28 -0.02 2.61 -4.23 -0.40 -0.45 115.64 110.55 3kvu s THR 117 Ca 0.00 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 3kvu s THR 117 Cb 0.00 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.93 3kvu s THR 117 CO 0.00 -0.69 0.03 -2.28 -0.54 0.00 0.00 174.62 171.14 3kvu s HIS 118 N -3.26 -0.01 0.02 3.99 5.04 0.06 -1.00 115.29 120.14 3kvu s HIS 118 Ca 0.19 0.12 0.05 0.00 -1.54 0.00 0.00 55.06 53.87 3kvu s HIS 118 Cb 0.02 -0.09 -0.03 0.00 0.04 0.00 0.00 32.58 32.52 3kvu s HIS 118 CO 0.02 -0.05 -0.10 -2.00 -2.34 0.00 0.00 174.74 170.27 3kvu s GLU 119 N 0.50 2.38 0.14 2.88 2.12 0.06 -1.97 118.70 124.82 3kvu s GLU 119 Ca -0.04 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 54.53 3kvu s GLU 119 Cb -0.06 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 3kvu s GLU 119 CO -0.02 0.58 -0.15 1.03 -0.54 0.00 0.00 175.26 176.16 3kvu s ARG 120 N -1.49 1.11 -0.11 4.30 0.52 0.20 -0.60 118.95 122.88 3kvu s ARG 120 Ca 0.17 -1.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.06 3kvu s ARG 120 Cb -0.11 -0.99 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 3kvu s ARG 120 CO 0.07 0.19 -0.15 0.00 0.02 0.00 0.00 175.30 175.43 3kvu s ALA 121 N -2.32 2.54 0.11 2.13 0.00 0.46 -0.90 121.76 123.79 3kvu s ALA 121 Ca 0.13 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 3kvu s ALA 121 Cb -0.04 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 21.93 3kvu s ALA 121 CO 0.04 0.31 1.05 0.08 0.00 0.00 0.00 175.76 177.24 3kvu s VAL 122 N 0.15 4.24 0.22 0.00 1.01 0.43 -1.41 120.40 125.04 3kvu s VAL 122 Ca -0.08 1.80 0.04 0.00 0.00 0.00 0.00 61.98 63.74 3kvu s VAL 122 Cb -0.15 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3kvu s VAL 122 CO 0.05 0.25 -0.02 0.27 0.00 0.00 0.00 175.10 175.65 3kvu s ILE 123 N 0.21 1.11 -0.29 2.22 -4.36 0.59 -4.94 121.20 115.74 3kvu s ILE 123 Ca 0.50 -2.05 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 3kvu s ILE 123 Cb -0.26 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 3kvu s ILE 123 CO 0.31 -0.39 0.44 -1.00 0.24 0.00 0.00 174.94 174.54 3kvu s HIS 124 N -3.37 3.24 0.10 1.37 3.76 -1.26 -0.25 115.29 118.88 3kvu s HIS 124 Ca 0.27 0.41 -0.20 0.00 -0.15 0.00 0.00 55.06 55.39 3kvu s HIS 124 Cb 0.05 -2.69 -0.08 0.00 1.11 0.00 0.00 32.58 30.98 3kvu s HIS 124 CO 0.08 -0.31 1.68 -0.07 -0.85 0.00 0.00 174.74 175.26 3kvu h LEU 125 N 8.75 0.27 -0.59 0.89 3.38 -1.44 -2.03 115.31 124.54 3kvu h LEU 125 Ca -0.30 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 3kvu h LEU 125 Cb 1.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3kvu h LEU 125 CO 0.69 0.31 -0.14 -0.33 0.09 0.00 0.00 178.44 179.06 3kvu h GLU 126 N 0.21 0.97 -0.34 1.13 3.07 -1.95 -0.15 114.58 117.52 3kvu h GLU 126 Ca 0.07 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 3kvu h GLU 126 Cb 0.11 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3kvu h GLU 126 CO -0.01 1.04 0.14 -0.22 -1.40 0.00 0.00 179.01 178.55 3kvu h LYS 127 N 0.86 0.51 -0.40 2.33 3.64 -1.94 -2.61 116.57 118.96 3kvu h LYS 127 Ca 0.13 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3kvu h LYS 127 Cb 0.70 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3kvu h LYS 127 CO 0.05 0.51 0.13 0.35 -2.27 0.00 0.00 179.45 178.22 3kvu h PHE 128 N 0.41 0.65 -0.70 1.91 3.57 -0.82 -2.69 116.94 119.26 3kvu h PHE 128 Ca 0.11 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3kvu h PHE 128 Cb 0.19 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3kvu h PHE 128 CO -0.00 0.60 0.46 -0.91 -2.23 0.00 0.00 178.31 176.23 3kvu h ASN 129 N 0.51 0.72 -0.54 0.41 2.35 -1.06 -1.32 115.58 116.65 3kvu h ASN 129 Ca 0.13 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 3kvu h ASN 129 Cb 0.26 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3kvu h ASN 129 CO -0.00 0.50 -0.06 0.00 -1.65 0.00 0.00 177.43 176.21 3kvu h ALA 130 N 1.59 0.74 -0.94 -0.83 0.00 -1.38 0.72 119.26 119.16 3kvu h ALA 130 Ca 0.28 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3kvu h ALA 130 Cb 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3kvu h ALA 130 CO -0.08 0.62 0.60 0.87 0.00 0.00 0.00 179.25 181.26 3kvu h LYS 131 N 0.88 1.08 -0.25 0.00 1.57 -1.13 -2.45 116.57 116.27 3kvu h LYS 131 Ca 0.15 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kvu h LYS 131 Cb 0.62 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3kvu h LYS 131 CO 0.04 0.71 0.04 0.28 -0.57 0.00 0.00 179.45 179.96 3kvu h VAL 132 N 1.11 1.23 -0.23 0.50 2.07 -0.54 -2.08 116.25 118.31 3kvu h VAL 132 Ca 0.40 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3kvu h VAL 132 Cb 0.14 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3kvu h VAL 132 CO -0.16 0.24 0.09 0.03 0.02 0.00 0.00 177.57 177.79 3kvu h ARG 133 N 0.22 0.31 0.00 1.57 3.08 -0.79 -1.45 114.38 117.32 3kvu h ARG 133 Ca 0.08 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3kvu h ARG 133 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kvu h ARG 133 CO 0.00 0.27 -0.46 0.37 -1.07 0.00 0.00 179.97 179.09 3kvu h GLN 134 N 0.32 0.00 0.00 0.04 4.15 -0.94 -2.50 115.11 116.17 3kvu h GLN 134 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3kvu h GLN 134 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3kvu h GLN 134 CO -0.01 0.46 -0.61 1.17 -1.93 0.00 0.00 178.83 177.91 3kvu n LYS 135 N -3.67 0.02 -2.93 1.69 4.81 -0.61 -4.89 118.16 112.58 3kvu n LYS 135 Ca -0.01 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3kvu n LYS 135 Cb 0.53 -1.51 -0.05 0.00 0.02 0.00 0.00 35.03 34.03 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 -3.01 4.83 -2.26 3.15 2.01 -0.83 -5.09 115.64 114.44 3kvu s THR 136 Ca 0.10 1.36 0.30 0.00 0.31 0.00 0.00 61.69 63.76 3kvu s THR 136 Cb 0.17 -4.12 0.72 0.00 0.01 0.00 0.00 72.50 69.29 3kvu s THR 136 CO 0.73 -0.15 1.98 -0.81 -0.69 0.00 0.00 174.62 175.68