#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kua n PRO -4 N 0.00 0.48 -1.90 1.61 -0.04 -1.26 -4.76 135.00 129.13 2kua n PRO -4 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2kua n PRO -4 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 2kua n PRO -4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kua s LEU -3 N -1.99 3.99 0.00 1.53 0.20 -1.26 -4.98 118.68 116.16 2kua s LEU -3 Ca 0.23 1.99 0.00 0.00 0.69 0.00 0.00 54.13 57.04 2kua s LEU -3 Cb 0.11 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.34 2kua s LEU -3 CO 0.18 -1.30 0.00 0.61 -0.29 0.00 0.00 176.35 175.55 2kua n GLY -2 N 4.77 -2.97 3.59 7.98 0.00 -1.26 -4.98 105.19 112.32 2kua n GLY -2 Ca 0.21 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2kua n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kua s SER 0 N -2.13 5.04 -0.19 1.61 1.04 -1.26 -5.02 113.70 112.78 2kua s SER 0 Ca 0.00 0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.26 2kua s SER 0 Cb 0.00 -1.61 -0.14 0.00 0.10 0.00 0.00 66.02 64.37 2kua s SER 0 CO 0.00 0.27 0.06 1.15 0.98 0.00 0.00 173.24 175.71 2kua n MET 1 N 2.85 0.54 -4.43 4.02 0.00 -1.26 -5.04 117.12 113.80 2kua n MET 1 Ca -0.18 0.54 -0.23 0.00 0.00 0.00 0.00 57.70 57.83 2kua n MET 1 Cb 0.53 -1.71 -0.08 0.00 0.00 0.00 0.00 33.22 31.96 2kua n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua s ALA 2 N -2.48 2.53 0.00 3.17 0.00 -1.26 -5.08 121.76 118.64 2kua s ALA 2 Ca -0.26 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2kua s ALA 2 Cb 0.05 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.20 2kua s ALA 2 CO 0.48 -0.46 0.00 -0.40 0.00 0.00 0.00 175.76 175.38 2kua n ASP 3 N -1.39 4.32 -0.02 0.00 5.68 -1.26 -4.81 116.55 119.07 2kua n ASP 3 Ca -0.01 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.29 2kua n ASP 3 Cb 0.64 0.35 -0.06 0.00 -1.14 0.00 0.00 41.12 40.90 2kua n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kua n SER 4 N -1.98 3.12 -0.32 -1.12 7.64 -1.26 -4.62 113.62 115.07 2kua n SER 4 Ca 0.00 0.00 0.30 0.00 1.01 0.00 0.00 58.87 60.18 2kua n SER 4 Cb 0.45 1.13 0.56 0.00 -1.01 0.00 0.00 64.21 65.34 2kua n SER 4 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2kua h GLN 5 N 0.00 0.06 -3.44 1.43 1.08 -1.99 -2.83 115.11 109.42 2kua h GLN 5 Ca -0.08 -0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.43 2kua h GLN 5 Cb 0.77 -0.01 -0.36 0.00 -0.05 0.00 0.00 27.48 27.83 2kua h GLN 5 CO 0.00 0.04 -0.32 -0.51 -0.95 0.00 0.00 178.83 177.09 2kua s ASP 6 N -4.60 5.34 0.00 1.46 1.11 -1.26 -4.91 116.67 113.81 2kua s ASP 6 Ca -0.09 -3.19 0.12 0.00 0.18 0.00 0.00 52.55 49.57 2kua s ASP 6 Cb 0.33 -1.84 0.75 0.00 1.07 0.00 0.00 42.92 43.23 2kua s ASP 6 CO 0.78 -0.28 1.17 -0.81 1.18 0.00 0.00 175.17 177.21 2kua n PRO 7 N 3.01 0.49 0.00 8.23 -0.04 -1.07 -3.19 135.00 142.43 2kua n PRO 7 Ca 0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2kua n PRO 7 Cb 0.37 -1.40 0.27 0.00 -0.04 0.00 0.00 33.50 32.71 2kua n PRO 7 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kua n LEU 8 N -0.90 0.00 0.00 1.53 4.77 -1.26 -3.70 117.00 117.44 2kua n LEU 8 Ca 0.09 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2kua n LEU 8 Cb 0.04 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2kua n LEU 8 CO 0.07 -0.13 0.30 1.41 -1.33 0.00 0.00 177.39 177.71 2kua n HIS 9 N -1.20 0.00 0.22 -1.77 8.25 -1.19 -2.47 115.22 117.06 2kua n HIS 9 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 2kua n HIS 9 Cb 0.07 -0.15 0.48 0.00 1.12 0.00 0.00 29.99 31.51 2kua n HIS 9 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2kua h GLU 10 N 0.00 0.00 -0.34 -0.41 4.57 -1.90 0.14 114.58 116.64 2kua h GLU 10 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 2kua h GLU 10 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2kua h GLU 10 CO 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 179.01 177.64 2kua h ARG 11 N 0.00 0.73 0.16 1.92 -0.00 -1.62 -0.98 114.38 114.58 2kua h ARG 11 Ca 0.00 -0.33 -0.28 0.00 -0.50 0.00 0.00 59.98 58.87 2kua h ARG 11 Cb 0.68 -0.01 0.03 0.00 0.00 0.00 0.00 29.97 30.67 2kua h ARG 11 CO 0.00 0.94 -1.18 1.15 0.00 0.00 0.00 179.97 180.88 2kua h THR 12 N 0.50 1.34 -0.35 2.04 2.02 -0.41 -2.61 112.91 115.44 2kua h THR 12 Ca 0.07 -2.51 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 2kua h THR 12 Cb 0.74 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 70.03 2kua h THR 12 CO 0.06 0.75 0.18 -0.09 0.37 0.00 0.00 175.52 176.79 2kua h ARG 13 N 0.08 0.49 -0.26 6.66 9.65 -1.52 0.24 114.38 129.73 2kua h ARG 13 Ca -0.19 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.59 2kua h ARG 13 Cb 1.89 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 30.37 2kua h ARG 13 CO 0.22 0.42 0.03 0.07 2.80 0.00 0.00 179.97 183.51 2kua h ARG 14 N 0.43 0.43 0.18 0.20 -0.00 -1.28 0.33 114.38 114.68 2kua h ARG 14 Ca 0.12 -0.12 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 2kua h ARG 14 Cb 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 2kua h ARG 14 CO -0.02 0.57 -0.09 1.25 -0.00 0.00 0.00 179.97 181.69 2kua h LEU 15 N 0.23 -0.21 0.10 0.08 5.85 -1.34 0.22 115.31 120.25 2kua h LEU 15 Ca 0.08 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kua h LEU 15 Cb 0.36 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kua h LEU 15 CO 0.01 -0.01 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.94 2kua h LEU 16 N -0.41 -0.23 -1.46 2.25 4.07 -0.53 -2.32 115.31 116.69 2kua h LEU 16 Ca -0.03 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 2kua h LEU 16 Cb 0.31 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2kua h LEU 16 CO 0.04 -0.14 0.10 0.28 -1.08 0.00 0.00 178.44 177.64 2kua h SER 17 N -0.20 0.41 -0.40 -0.43 0.02 -0.91 -2.62 113.55 109.42 2kua h SER 17 Ca 0.00 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2kua h SER 17 Cb 0.19 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2kua h SER 17 CO -0.02 0.41 0.16 -0.78 -1.14 0.00 0.00 176.83 175.45 2kua h ASP 18 N 0.46 0.19 -0.68 3.07 3.58 -0.00 -2.28 116.42 120.75 2kua h ASP 18 Ca 0.11 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2kua h ASP 18 Cb 0.15 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2kua h ASP 18 CO -0.01 0.14 0.38 0.22 -2.88 0.00 0.00 179.24 177.10 2kua h TYR 19 N 0.33 0.93 -0.70 0.28 3.20 -1.12 -2.71 116.97 117.18 2kua h TYR 19 Ca 0.18 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.18 2kua h TYR 19 Cb 0.15 -0.30 -0.10 0.00 1.54 0.00 0.00 36.73 38.02 2kua h TYR 19 CO -0.14 0.66 0.19 0.82 -1.64 0.00 0.00 178.16 178.06 2kua h ILE 20 N 0.93 0.58 -0.33 1.81 1.08 -1.25 -0.55 117.51 119.79 2kua h ILE 20 Ca 0.24 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.60 2kua h ILE 20 Cb 0.03 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 2kua h ILE 20 CO -0.04 0.06 0.19 -0.26 -0.69 0.00 0.00 178.15 177.41 2kua h PHE 21 N 0.31 0.44 0.00 1.37 -1.00 -1.20 -1.61 116.94 115.25 2kua h PHE 21 Ca 0.39 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.16 2kua h PHE 21 Cb 0.62 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 2kua h PHE 21 CO -0.24 0.33 -0.00 0.35 -1.61 0.00 0.00 178.31 177.14 2kua h PHE 22 N 0.42 0.00 -0.00 -0.55 3.04 -1.00 0.77 116.94 119.61 2kua h PHE 22 Ca 0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.07 2kua h PHE 22 Cb 0.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.54 2kua h PHE 22 CO -0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 178.31 176.01 2kua n ALA 24 N -1.43 3.08 -3.63 0.00 0.00 0.26 -4.79 120.51 114.00 2kua n ALA 24 Ca 0.07 -1.05 -0.35 0.00 0.00 0.00 0.00 53.44 52.11 2kua n ALA 24 Cb 0.33 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 2kua n ALA 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kua s ARG 25 N -1.87 2.69 0.37 0.00 0.52 -1.23 -5.03 118.95 114.40 2kua s ARG 25 Ca 0.32 -1.09 -0.14 0.00 -0.52 0.00 0.00 55.73 54.31 2kua s ARG 25 Cb 0.23 -3.11 -0.11 0.00 0.52 0.00 0.00 34.95 32.47 2kua s ARG 25 CO 0.13 -0.50 -0.07 0.39 0.02 0.00 0.00 175.30 175.27 2kua n GLU 26 N 4.67 0.00 0.28 3.54 1.02 -1.26 -4.80 120.64 124.09 2kua n GLU 26 Ca -0.15 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.16 2kua n GLU 26 Cb 0.46 -0.76 0.70 0.00 -0.02 0.00 0.00 31.44 31.81 2kua n GLU 26 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2kua h PRO 27 N 0.03 0.00 0.00 3.49 0.13 -1.98 -2.64 132.00 131.03 2kua h PRO 27 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kua h PRO 27 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kua h PRO 27 CO 0.32 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 177.86 2kua n ASP 28 N -3.12 0.00 -3.84 1.44 8.00 -1.26 -4.70 116.55 113.06 2kua n ASP 28 Ca 0.00 -1.21 -0.12 0.00 0.71 0.00 0.00 54.79 54.17 2kua n ASP 28 Cb 0.30 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kua s THR 29 N -2.00 0.01 0.26 -3.53 -1.32 -1.00 -5.14 115.64 102.92 2kua s THR 29 Ca 0.17 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 2kua s THR 29 Cb 0.08 -0.18 -0.09 0.00 -1.51 0.00 0.00 72.50 70.79 2kua s THR 29 CO 0.13 -0.05 1.26 -2.16 -2.21 0.00 0.00 174.62 171.60 2kua s PRO 30 N -0.11 4.43 0.34 7.08 0.04 -1.26 -4.75 135.00 140.77 2kua s PRO 30 Ca -0.02 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 2kua s PRO 30 Cb -0.02 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 2kua s PRO 30 CO 0.00 -0.13 0.73 -1.21 0.04 0.00 0.00 177.00 176.43 2kua s GLU 31 N -0.92 3.92 1.02 4.56 8.01 -1.26 -5.08 118.70 128.95 2kua s GLU 31 Ca 0.52 0.57 -0.13 0.00 0.01 0.00 0.00 54.97 55.94 2kua s GLU 31 Cb -0.37 -2.44 0.20 0.00 -4.31 0.00 0.00 34.13 27.22 2kua s GLU 31 CO 0.43 0.11 1.09 -1.25 0.01 0.00 0.00 175.26 175.66 2kua s PRO 32 N -3.23 0.23 1.02 0.39 0.04 -1.26 -5.04 135.00 127.14 2kua s PRO 32 Ca 0.53 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 2kua s PRO 32 Cb -0.10 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.92 2kua s PRO 32 CO 0.22 -2.85 1.09 -1.25 0.04 0.00 0.00 177.00 174.25 2kua s PRO 33 N -4.99 0.27 0.56 0.56 0.04 -1.26 -5.01 135.00 125.17 2kua s PRO 33 Ca 0.66 0.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 2kua s PRO 33 Cb -0.18 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.77 2kua s PRO 33 CO 0.58 -2.83 0.50 -0.35 0.04 0.00 0.00 177.00 174.93 2kua n PRO 34 N -4.24 -1.99 -0.02 0.56 -0.04 -1.26 -5.04 135.00 122.97 2kua n PRO 34 Ca 0.05 -0.80 -0.03 0.00 -0.04 0.00 0.00 63.50 62.68 2kua n PRO 34 Cb 0.57 -0.75 -0.02 0.00 -0.04 0.00 0.00 33.50 33.26 2kua n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kua n THR 35 N -3.59 0.27 -4.39 0.52 5.66 -1.26 -4.98 114.28 106.52 2kua n THR 35 Ca 0.07 -0.12 -0.21 0.00 -3.05 0.00 0.00 64.05 60.73 2kua n THR 35 Cb 0.27 -0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 68.23 2kua n THR 35 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kua n SER 36 N -2.47 0.56 0.19 1.09 2.88 -1.26 -5.02 113.62 109.59 2kua n SER 36 Ca -0.08 -2.97 -0.15 0.00 -1.33 0.00 0.00 58.87 54.34 2kua n SER 36 Cb 0.60 1.14 -0.08 0.00 -0.75 0.00 0.00 64.21 65.12 2kua n SER 36 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kua h VAL 37 N 1.74 0.70 0.00 2.46 2.07 -1.99 -1.05 116.25 120.17 2kua h VAL 37 Ca -0.26 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2kua h VAL 37 Cb 1.10 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2kua h VAL 37 CO 0.41 0.04 -0.13 1.05 0.02 0.00 0.00 177.57 178.95 2kua h GLU 38 N -0.53 0.00 -0.17 1.57 9.09 -1.98 -2.22 114.58 120.34 2kua h GLU 38 Ca -0.04 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.19 2kua h GLU 38 Cb 0.40 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 2kua h GLU 38 CO 0.07 0.13 -0.63 0.00 0.05 0.00 0.00 179.01 178.64 2kua h ALA 39 N 1.87 0.58 -0.42 1.06 0.00 -1.83 -3.07 119.26 117.46 2kua h ALA 39 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2kua h ALA 39 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kua h ALA 39 CO 0.02 0.70 -0.17 0.00 0.00 0.00 0.00 179.25 179.80 2kua h ALA 40 N 0.86 0.58 0.13 0.00 0.00 -0.60 -2.99 119.26 117.24 2kua h ALA 40 Ca -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2kua h ALA 40 Cb 1.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2kua h ALA 40 CO 0.12 0.52 -0.24 1.25 0.00 0.00 0.00 179.25 180.90 2kua h LEU 41 N 0.67 -0.67 -0.49 0.00 7.12 -1.47 -2.58 115.31 117.88 2kua h LEU 41 Ca 0.10 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.28 2kua h LEU 41 Cb 0.73 0.25 -0.09 0.00 -0.53 0.00 0.00 40.66 41.02 2kua h LEU 41 CO 0.06 -0.33 -0.08 -0.07 -0.13 0.00 0.00 178.44 177.89 2kua h LEU 42 N -0.45 -0.37 -2.00 2.25 -0.00 -1.55 0.43 115.31 113.62 2kua h LEU 42 Ca 0.03 0.14 0.13 0.00 -0.00 0.00 0.00 57.88 58.17 2kua h LEU 42 Cb 0.47 0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 2kua h LEU 42 CO -0.13 -0.13 0.43 -0.09 -0.00 0.00 0.00 178.44 178.52 2kua h ARG 43 N 0.04 0.00 0.07 1.13 1.12 -1.32 3.79 114.38 119.21 2kua h ARG 43 Ca 0.24 0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.80 2kua h ARG 43 Cb 0.37 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 2kua h ARG 43 CO -0.47 0.00 -1.68 0.43 -3.11 0.00 0.00 179.97 175.14 2kua n SER 44 N -3.88 2.01 -0.10 -3.80 7.64 0.10 -3.93 113.62 111.66 2kua n SER 44 Ca 0.08 0.31 -0.16 0.00 1.01 0.00 0.00 58.87 60.10 2kua n SER 44 Cb 0.62 -0.91 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 2kua n SER 44 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kua n VAL 45 N -3.91 1.49 -0.25 0.44 0.24 0.11 -4.18 118.33 112.27 2kua n VAL 45 Ca -0.32 0.01 0.27 0.00 -2.04 0.00 0.00 64.34 62.26 2kua n VAL 45 Cb 0.89 -2.16 0.65 0.00 -1.47 0.00 0.00 33.84 31.75 2kua n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kua h THR 46 N -1.00 0.53 -0.17 3.34 1.03 0.70 0.52 112.91 117.86 2kua h THR 46 Ca -0.26 -0.05 -0.05 0.00 -0.01 0.00 0.00 66.41 66.04 2kua h THR 46 Cb 1.07 0.37 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2kua h THR 46 CO -0.16 0.03 -0.14 0.08 -0.01 0.00 0.00 175.52 175.32 2kua h ARG 47 N 0.15 0.27 0.01 0.00 -0.00 -1.45 -2.45 114.38 110.91 2kua h ARG 47 Ca 0.50 -0.07 -0.20 0.00 -0.00 0.00 0.00 59.98 60.22 2kua h ARG 47 Cb 1.72 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 31.63 2kua h ARG 47 CO -0.10 0.42 -0.94 -0.56 -0.00 0.00 0.00 179.97 178.79 2kua h GLN 48 N 0.26 0.02 -0.38 0.08 -0.00 -0.14 -2.65 115.11 112.30 2kua h GLN 48 Ca 0.05 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.61 2kua h GLN 48 Cb 0.40 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.87 2kua h GLN 48 CO 0.02 0.94 -0.02 0.82 -0.00 0.00 0.00 178.83 180.60 2kua h ILE 49 N 0.01 1.22 0.00 1.86 1.08 -0.96 -2.45 117.51 118.27 2kua h ILE 49 Ca -0.02 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2kua h ILE 49 Cb 1.65 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2kua h ILE 49 CO 0.12 0.31 -0.03 1.56 -0.69 0.00 0.00 178.15 179.42 2kua h GLN 50 N 0.58 0.00 -0.12 2.37 4.20 -1.53 -0.78 115.11 119.82 2kua h GLN 50 Ca 0.12 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.86 2kua h GLN 50 Cb 0.39 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2kua h GLN 50 CO 0.02 0.00 0.74 -0.56 -0.67 0.00 0.00 178.83 178.35 2kua h GLN 51 N -0.78 0.00 0.02 1.46 3.07 -1.55 5.24 115.11 122.57 2kua h GLN 51 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 58.35 2kua h GLN 51 Cb 0.03 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.54 2kua h GLN 51 CO 0.00 0.00 -2.33 -0.85 0.09 0.00 0.00 178.83 175.74 2kua n GLU 52 N -2.79 0.65 -0.13 0.06 0.28 -0.92 -4.65 120.64 113.14 2kua n GLU 52 Ca 0.02 0.23 -0.22 0.00 -0.16 0.00 0.00 57.16 57.02 2kua n GLU 52 Cb 0.80 -1.56 -0.11 0.00 1.43 0.00 0.00 31.44 32.00 2kua n GLU 52 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kua n HIS 53 N -3.61 0.00 -0.42 -1.84 8.25 0.99 -4.40 115.22 114.18 2kua n HIS 53 Ca -0.45 0.00 0.34 0.00 -0.26 0.00 0.00 57.72 57.35 2kua n HIS 53 Cb 0.95 -0.96 0.52 0.00 1.12 0.00 0.00 29.99 31.63 2kua n HIS 53 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kua n GLN 54 N -3.64 0.00 -0.27 -0.41 -0.00 1.67 0.98 117.38 115.72 2kua n GLN 54 Ca -0.48 0.75 0.08 0.00 -0.00 0.00 0.00 57.00 57.36 2kua n GLN 54 Cb 0.93 -1.76 0.22 0.00 -0.00 0.00 0.00 30.24 29.63 2kua n GLN 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2kua h GLU 55 N 0.00 0.29 0.13 2.61 5.08 -1.76 0.20 114.58 121.13 2kua h GLU 55 Ca 0.59 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.60 2kua h GLU 55 Cb 2.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.71 2kua h GLU 55 CO -0.01 0.19 -1.79 0.74 -1.00 0.00 0.00 179.01 177.15 2kua h PHE 56 N 0.30 0.50 0.29 4.33 -1.00 0.30 -3.23 116.94 118.44 2kua h PHE 56 Ca 0.47 -0.37 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 2kua h PHE 56 Cb 0.84 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 2kua h PHE 56 CO -0.23 1.70 -0.43 0.74 -1.61 0.00 0.00 178.31 178.48 2kua h PHE 57 N -0.06 -1.21 -0.85 -0.55 0.04 -1.29 -1.78 116.94 111.24 2kua h PHE 57 Ca -0.38 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.49 2kua h PHE 57 Cb 1.95 0.49 -0.07 0.00 2.20 0.00 0.00 35.95 40.53 2kua h PHE 57 CO 0.09 -0.53 0.51 1.03 -0.60 0.00 0.00 178.31 178.81 2kua h SER 58 N -0.75 0.77 -0.97 2.17 0.87 -0.82 0.26 113.55 115.09 2kua h SER 58 Ca -0.03 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 2kua h SER 58 Cb 0.69 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 2kua h SER 58 CO -0.13 0.47 0.57 -1.28 -0.53 0.00 0.00 176.83 175.94 2kua h SER 59 N 0.90 0.73 0.18 6.23 0.87 -1.47 -2.00 113.55 118.99 2kua h SER 59 Ca 0.39 0.10 -0.32 0.00 -1.23 0.00 0.00 61.79 60.73 2kua h SER 59 Cb 0.26 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2kua h SER 59 CO -0.21 0.27 -1.56 0.15 -0.53 0.00 0.00 176.83 174.96 2kua h PHE 60 N 0.74 0.67 -0.96 2.24 3.04 -0.41 -3.35 116.94 118.92 2kua h PHE 60 Ca 0.55 -0.49 0.29 0.00 3.98 0.00 0.00 57.97 62.30 2kua h PHE 60 Cb 0.84 -0.03 -0.17 0.00 2.56 0.00 0.00 35.95 39.15 2kua h PHE 60 CO -0.03 1.61 0.21 0.00 -2.02 0.00 0.00 178.31 178.08 2kua n GLU 62 N -5.35 1.49 -0.04 0.00 0.28 -0.97 -2.57 120.64 113.47 2kua n GLU 62 Ca 0.26 -1.09 -0.10 0.00 -0.16 0.00 0.00 57.16 56.07 2kua n GLU 62 Cb 0.85 -1.43 -0.03 0.00 1.43 0.00 0.00 31.44 32.26 2kua n GLU 62 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kua n SER 63 N 0.17 1.29 -0.00 -1.84 2.88 0.48 -4.83 113.62 111.78 2kua n SER 63 Ca 0.21 0.21 0.02 0.00 -1.33 0.00 0.00 58.87 57.98 2kua n SER 63 Cb 0.79 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2kua n SER 63 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kua n ARG 64 N -3.83 4.88 -1.02 -1.46 5.12 -1.24 -5.00 116.66 114.11 2kua n ARG 64 Ca -0.17 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.74 2kua n ARG 64 Cb 0.47 -0.76 -0.00 0.00 -1.16 0.00 0.00 32.46 31.01 2kua n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kua n GLY 65 N 1.24 0.42 1.26 -0.13 0.00 -1.06 -4.88 105.19 102.05 2kua n GLY 65 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 2kua n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kua n ASN 66 N -0.08 3.59 -0.34 1.61 3.02 -1.26 -4.57 115.26 117.23 2kua n ASN 66 Ca -0.01 -2.31 0.28 0.00 -0.03 0.00 0.00 54.58 52.52 2kua n ASN 66 Cb 0.12 -0.65 0.46 0.00 -0.61 0.00 0.00 39.78 39.10 2kua n ASN 66 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kua n ARG 67 N 0.42 -0.02 -0.05 3.52 0.00 -1.26 0.21 116.66 119.48 2kua n ARG 67 Ca 0.09 0.76 -0.13 0.00 -0.00 0.00 0.00 57.85 58.57 2kua n ARG 67 Cb 0.65 -1.57 -0.11 0.00 -0.00 0.00 0.00 32.46 31.43 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2kua h LEU 68 N 0.00 -0.01 -1.56 2.89 5.85 -1.94 -2.73 115.31 117.81 2kua h LEU 68 Ca 0.57 -0.80 0.25 0.00 0.84 0.00 0.00 57.88 58.73 2kua h LEU 68 Cb 1.98 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.94 2kua h LEU 68 CO -0.21 0.84 0.66 -0.33 -0.34 0.00 0.00 178.44 179.05 2kua h GLU 69 N -0.90 0.31 0.06 1.25 5.08 0.21 0.21 114.58 120.79 2kua h GLU 69 Ca -0.00 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 2kua h GLU 69 Cb 0.81 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.01 2kua h GLU 69 CO 0.00 0.20 -1.10 -0.07 -1.00 0.00 0.00 179.01 177.05 2kua h LEU 70 N 0.31 0.63 -0.47 1.33 -0.00 -1.35 -2.19 115.31 113.57 2kua h LEU 70 Ca 0.52 -0.56 0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2kua h LEU 70 Cb 1.47 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2kua h LEU 70 CO -0.19 1.38 0.31 1.62 -0.00 0.00 0.00 178.44 181.56 2kua h VAL 71 N 0.22 1.12 -0.12 1.22 3.04 -0.30 -0.47 116.25 120.95 2kua h VAL 71 Ca -0.12 -0.22 -0.12 0.00 -1.01 0.00 0.00 66.70 65.22 2kua h VAL 71 Cb 1.76 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2kua h VAL 71 CO 0.20 0.12 -0.41 0.07 -1.01 0.00 0.00 177.57 176.53 2kua h LYS 72 N 0.63 0.49 -0.24 4.17 2.10 -1.37 -2.82 116.57 119.53 2kua h LYS 72 Ca 0.17 -0.36 0.05 0.00 -2.00 0.00 0.00 60.65 58.51 2kua h LYS 72 Cb -0.07 0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 2kua h LYS 72 CO -0.04 0.99 -0.06 1.96 -2.00 0.00 0.00 179.45 180.30 2kua h GLN 73 N 0.09 0.00 0.34 0.07 7.50 -1.24 -2.08 115.11 119.79 2kua h GLN 73 Ca -0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 2kua h GLN 73 Cb 1.03 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 2kua h GLN 73 CO 0.09 0.00 -0.27 0.52 -1.50 0.00 0.00 178.83 177.66 2kua h MET 74 N 0.00 -0.60 -0.17 1.46 2.86 -1.14 -1.10 114.93 116.24 2kua h MET 74 Ca 0.12 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 2kua h MET 74 Cb 0.18 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2kua h MET 74 CO -0.25 -0.40 0.46 0.00 1.06 0.00 0.00 176.91 177.79 2kua h ALA 75 N -0.05 1.70 0.00 6.32 0.00 -1.24 0.68 119.26 126.67 2kua h ALA 75 Ca -0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 2kua h ALA 75 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kua h ALA 75 CO -0.01 -0.55 -1.15 0.22 0.00 0.00 0.00 179.25 177.76 2kua h ASP 76 N 0.00 0.00 0.04 0.00 1.82 -0.51 -1.38 116.42 116.39 2kua h ASP 76 Ca 0.08 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 2kua h ASP 76 Cb 1.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2kua h ASP 76 CO -0.00 0.98 -0.34 0.07 -1.61 0.00 0.00 179.24 178.34 2kua h LYS 77 N 0.00 0.09 0.00 0.28 2.10 0.80 -3.41 116.57 116.42 2kua h LYS 77 Ca -0.08 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2kua h LYS 77 Cb 1.81 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.19 2kua h LYS 77 CO 0.11 1.07 -0.07 1.37 -2.00 0.00 0.00 179.45 179.94 2kua h LEU 78 N -0.81 0.00-10.07 7.07 -0.00 -1.28 -3.47 115.31 106.74 2kua h LEU 78 Ca -0.07 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.35 2kua h LEU 78 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2kua h LEU 78 CO 0.03 0.39 0.25 -0.76 -0.00 0.00 0.00 178.44 178.35 2kua s LEU 79 N -7.24 3.93 0.00 0.17 2.01 -0.52 -4.86 118.68 112.17 2kua s LEU 79 Ca -0.02 1.50 -0.09 0.00 0.01 0.00 0.00 54.13 55.53 2kua s LEU 79 Cb 0.00 -4.35 0.04 0.00 0.01 0.00 0.00 46.19 41.89 2kua s LEU 79 CO 0.03 -0.35 0.50 -0.24 1.01 0.00 0.00 176.35 177.30 2kua n SER 80 N -0.74 -1.45 -0.12 2.29 2.88 -1.26 -3.90 113.62 111.31 2kua n SER 80 Ca 0.05 -2.02 -0.21 0.00 -1.33 0.00 0.00 58.87 55.36 2kua n SER 80 Cb 0.54 2.43 -0.10 0.00 -0.75 0.00 0.00 64.21 66.32 2kua n SER 80 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kua n LYS 81 N -0.34 0.58 0.04 -1.46 2.85 -1.26 -4.51 118.16 114.06 2kua n LYS 81 Ca -0.06 0.18 0.12 0.00 -1.05 0.00 0.00 58.31 57.50 2kua n LYS 81 Cb 0.38 -1.46 0.10 0.00 -0.65 0.00 0.00 35.03 33.39 2kua n LYS 81 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kua n ASP 82 N -3.58 0.64 -4.70 -5.58 9.92 -1.26 -4.86 116.55 107.13 2kua n ASP 82 Ca -0.46 -0.10 -0.40 0.00 -0.53 0.00 0.00 54.79 53.30 2kua n ASP 82 Cb 0.92 0.52 -0.05 0.00 -0.64 0.00 0.00 41.12 41.87 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kua s GLN 83 N -3.16 4.34 -0.64 -1.24 1.11 -1.26 -4.95 119.66 113.85 2kua s GLN 83 Ca 0.05 0.73 -0.28 0.00 0.01 0.00 0.00 55.36 55.88 2kua s GLN 83 Cb 0.14 -3.50 -0.27 0.00 -1.01 0.00 0.00 33.01 28.37 2kua s GLN 83 CO 0.76 -0.04 1.88 -3.47 0.01 0.00 0.00 175.29 174.42 2kua n ASP 84 N 4.27 1.47 -4.68 5.90 -0.08 -1.26 -4.51 116.55 117.67 2kua n ASP 84 Ca -0.02 -2.53 -0.43 0.00 -1.51 0.00 0.00 54.79 50.30 2kua n ASP 84 Cb 0.51 -1.20 -0.03 0.00 2.34 0.00 0.00 41.12 42.74 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2kua n PHE 85 N 14.08 2.54 -2.42 -0.67 -1.74 -1.26 -4.98 117.46 123.00 2kua n PHE 85 Ca 0.45 -0.17 -0.24 0.00 -0.56 0.00 0.00 57.45 56.92 2kua n PHE 85 Cb 0.44 -2.73 0.09 0.00 1.52 0.00 0.00 39.48 38.80 2kua n PHE 85 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kua s SER 86 N 3.28 4.54 0.29 5.98 0.15 -1.26 -4.99 113.70 121.69 2kua s SER 86 Ca 0.85 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 57.52 2kua s SER 86 Cb -0.51 -0.53 0.46 0.00 -1.71 0.00 0.00 66.02 63.73 2kua s SER 86 CO 0.41 -1.73 1.78 -0.50 1.20 0.00 0.00 173.24 174.39 2kua h TRP 87 N -0.54 0.60 -0.61 3.44 -0.00 -2.01 -2.60 115.95 114.24 2kua h TRP 87 Ca -0.41 -0.10 0.11 0.00 -0.00 0.00 0.00 58.89 58.50 2kua h TRP 87 Cb 1.28 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 30.25 2kua h TRP 87 CO -0.04 0.66 0.41 1.03 -0.00 0.00 0.00 178.44 180.50 2kua h SER 88 N 0.51 0.32 -0.12 -3.49 0.87 -2.00 -1.54 113.55 108.10 2kua h SER 88 Ca 0.09 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2kua h SER 88 Cb 0.51 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2kua h SER 88 CO 0.03 0.19 -0.40 1.56 -0.53 0.00 0.00 176.83 177.67 2kua h GLN 89 N 0.35 0.49 0.09 2.24 4.20 -1.85 -2.54 115.11 118.10 2kua h GLN 89 Ca 0.29 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.66 2kua h GLN 89 Cb 0.65 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2kua h GLN 89 CO -0.07 0.99 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.64 2kua h LEU 90 N 0.08 -1.07 -1.79 1.46 3.38 -1.24 -0.47 115.31 115.67 2kua h LEU 90 Ca -0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kua h LEU 90 Cb 1.03 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2kua h LEU 90 CO 0.09 -0.44 0.01 -0.37 0.09 0.00 0.00 178.44 177.81 2kua h VAL 91 N -0.58 1.06 -0.54 1.22 -1.51 -1.54 -2.26 116.25 112.11 2kua h VAL 91 Ca 0.03 -0.24 -0.06 0.00 -1.23 0.00 0.00 66.70 65.21 2kua h VAL 91 Cb 0.62 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 2kua h VAL 91 CO -0.23 0.08 0.12 -0.03 -1.23 0.00 0.00 177.57 176.28 2kua h MET 92 N 0.14 0.87 -0.53 5.19 -1.53 -0.78 -2.62 114.93 115.67 2kua h MET 92 Ca 0.04 -0.22 0.03 0.00 -3.44 0.00 0.00 59.70 56.11 2kua h MET 92 Cb 0.09 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 30.99 2kua h MET 92 CO 0.00 0.83 0.30 -0.07 0.14 0.00 0.00 176.91 178.11 2kua h LEU 93 N 0.76 0.47 -0.96 3.39 3.38 -0.52 -1.09 115.31 120.73 2kua h LEU 93 Ca 0.17 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2kua h LEU 93 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2kua h LEU 93 CO 0.00 0.32 0.63 -0.07 0.09 0.00 0.00 178.44 179.42 2kua h LEU 94 N 0.59 1.09 0.69 1.67 -0.00 -1.42 -0.82 115.31 117.12 2kua h LEU 94 Ca 0.22 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 2kua h LEU 94 Cb 0.07 -0.27 0.01 0.00 -0.00 0.00 0.00 40.66 40.47 2kua h LEU 94 CO -0.12 0.79 -0.33 0.00 -0.00 0.00 0.00 178.44 178.78 2kua h ALA 95 N 1.35 -0.93 0.27 1.53 0.00 -1.01 -2.95 119.26 117.51 2kua h ALA 95 Ca 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kua h ALA 95 Cb -0.14 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2kua h ALA 95 CO -0.08 -0.92 -0.52 0.35 0.00 0.00 0.00 179.25 178.08 2kua h PHE 96 N -1.13 -1.48 -0.87 0.00 3.57 -1.14 -1.15 116.94 114.75 2kua h PHE 96 Ca -0.10 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.60 2kua h PHE 96 Cb 0.74 0.61 -0.16 0.00 2.79 0.00 0.00 35.95 39.93 2kua h PHE 96 CO -0.00 -0.63 -0.23 0.00 -2.23 0.00 0.00 178.31 175.22 2kua n ALA 97 N -2.89 0.18 0.19 2.41 0.00 -0.32 0.25 120.51 120.33 2kua n ALA 97 Ca -0.10 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.34 2kua n ALA 97 Cb 0.43 -0.56 0.38 0.00 0.00 0.00 0.00 19.45 19.71 2kua n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kua h GLY 98 N 0.00 0.00 2.00 0.00 0.00 -1.24 -2.60 103.07 101.23 2kua h GLY 98 Ca 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.68 2kua h GLY 98 CO -0.89 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 175.37 2kua h THR 99 N 0.00 0.78 0.03 4.70 1.03 0.45 -3.21 112.91 116.68 2kua h THR 99 Ca -0.00 -1.16 -0.13 0.00 -0.01 0.00 0.00 66.41 65.11 2kua h THR 99 Cb 0.76 1.72 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 2kua h THR 99 CO 0.05 0.27 -0.68 -0.07 -0.01 0.00 0.00 175.52 175.08 2kua h LEU 100 N 0.00 0.09 -5.37 0.00 3.38 -0.91 -3.41 115.31 109.09 2kua h LEU 100 Ca -0.00 -0.82 -0.52 0.00 0.09 0.00 0.00 57.88 56.63 2kua h LEU 100 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kua h LEU 100 CO 0.04 1.28 0.49 0.80 0.09 0.00 0.00 178.44 181.13 2kua n MET 101 N -4.41 0.00 -3.56 1.13 0.00 -1.01 -4.86 117.12 104.42 2kua n MET 101 Ca -0.20 0.00 -0.22 0.00 -0.00 0.00 0.00 57.70 57.28 2kua n MET 101 Cb 0.63 -0.91 -0.01 0.00 0.00 0.00 0.00 33.22 32.93 2kua n MET 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kua s ASN 102 N 2.15 6.21 -0.25 6.12 6.03 -1.26 -4.92 114.94 129.01 2kua s ASN 102 Ca 0.66 0.21 -0.00 0.00 -1.03 0.00 0.00 52.86 52.69 2kua s ASN 102 Cb -0.91 -1.81 0.07 0.00 -3.03 0.00 0.00 41.25 35.58 2kua s ASN 102 CO 0.48 -0.28 0.02 -1.10 -2.03 0.00 0.00 177.10 174.19 2kua s GLN 103 N -4.21 1.09 -0.36 3.55 -1.52 -1.26 -4.51 119.66 112.44 2kua s GLN 103 Ca 0.39 -0.93 0.13 0.00 -1.95 0.00 0.00 55.36 53.00 2kua s GLN 103 Cb -0.09 -2.34 0.42 0.00 -0.22 0.00 0.00 33.01 30.78 2kua s GLN 103 CO 0.33 -0.75 1.20 0.41 -0.25 0.00 0.00 175.29 176.24 2kua n GLY 104 N 4.79 1.43 0.00 3.09 0.00 -1.26 -5.14 105.19 108.10 2kua n GLY 104 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2kua n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kua n PRO 105 N -0.42 0.41 0.00 1.61 -0.04 -1.26 -4.92 135.00 130.37 2kua n PRO 105 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2kua n PRO 105 Cb 0.84 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.30 2kua n PRO 105 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2kua n TYR 106 N -1.10 0.00 -1.44 0.54 9.36 -1.26 -5.01 117.16 118.25 2kua n TYR 106 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 2kua n TYR 106 Cb 0.00 0.00 -0.18 0.00 -0.63 0.00 0.00 39.34 38.53 2kua n TYR 106 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2kua n MET 107 N -0.92 0.00 0.00 2.98 2.81 -1.26 -4.84 117.12 115.89 2kua n MET 107 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kua n MET 107 Cb 0.00 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2kua n MET 107 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kua n ALA 108 N 8.05 0.00 -1.00 3.04 0.00 -1.26 -5.08 120.51 124.26 2kua n ALA 108 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2kua n ALA 108 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2kua n ALA 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kua n VAL 109 N 0.00 0.00 -1.98 0.00 3.14 -1.26 -4.31 118.33 113.92 2kua n VAL 109 Ca 0.00 0.68 -0.26 0.00 -2.96 0.00 0.00 64.34 61.80 2kua n VAL 109 Cb 0.00 -1.56 -0.05 0.00 -1.06 0.00 0.00 33.84 31.17 2kua n VAL 109 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2kua s LYS 110 N -0.47 2.43 -0.09 1.45 1.02 -1.26 -4.88 119.74 117.94 2kua s LYS 110 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.84 2kua s LYS 110 Cb 0.00 -4.98 0.05 0.00 -0.52 0.00 0.00 37.83 32.38 2kua s LYS 110 CO 0.00 -3.47 0.15 -0.65 -0.92 0.00 0.00 175.35 170.46 2kua s GLN 111 N 7.26 0.03 -0.98 1.68 -1.52 -1.26 -5.05 119.66 119.83 2kua s GLN 111 Ca 0.73 0.51 -0.14 0.00 -1.95 0.00 0.00 55.36 54.51 2kua s GLN 111 Cb -0.08 -0.39 -0.09 0.00 -0.22 0.00 0.00 33.01 32.23 2kua s GLN 111 CO 0.02 -0.34 2.11 1.63 -0.25 0.00 0.00 175.29 178.46 2kua n LYS 112 N 5.32 2.05 -4.61 2.91 4.01 -1.26 -4.85 118.16 121.74 2kua n LYS 112 Ca -0.05 -1.83 -0.30 0.00 -0.51 0.00 0.00 58.31 55.62 2kua n LYS 112 Cb 0.50 -2.79 -0.09 0.00 -0.51 0.00 0.00 35.03 32.14 2kua n LYS 112 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2kua s ARG 113 N 3.99 2.09 0.12 1.97 3.00 -1.26 -5.08 118.95 123.78 2kua s ARG 113 Ca 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 55.73 54.03 2kua s ARG 113 Cb 0.13 -1.64 0.00 0.00 0.00 0.00 0.00 34.95 33.44 2kua s ARG 113 CO 0.02 -0.21 0.00 -0.40 0.00 0.00 0.00 175.30 174.72 2kua n ASP 114 N -1.15 0.18 0.19 0.23 5.68 -1.26 -4.93 116.55 115.48 2kua n ASP 114 Ca -0.10 0.20 -0.09 0.00 -0.50 0.00 0.00 54.79 54.29 2kua n ASP 114 Cb 0.67 0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.67 2kua n ASP 114 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2kua h LEU 115 N 0.00 -0.63 0.00 -2.12 3.38 -2.01 -3.48 115.31 110.45 2kua h LEU 115 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kua h LEU 115 Cb 0.18 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kua h LEU 115 CO 0.00 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.79 2kua n GLY 116 N -1.29 4.27 3.26 0.83 0.00 -1.26 -5.07 105.19 105.93 2kua n GLY 116 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 2kua n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kua s ASN 117 N 0.00 -0.51 0.00 1.61 2.47 -1.26 -4.81 114.94 112.44 2kua s ASN 117 Ca 0.00 0.95 0.00 0.00 0.42 0.00 0.00 52.86 54.23 2kua s ASN 117 Cb 0.00 1.63 0.00 0.00 -1.45 0.00 0.00 41.25 41.43 2kua s ASN 117 CO 0.00 -0.25 0.43 -2.11 -3.72 0.00 0.00 177.10 171.45 2kua n ARG 118 N 5.40 0.00 -0.00 0.43 1.85 -1.26 -4.83 116.66 118.26 2kua n ARG 118 Ca -0.07 -0.25 -0.00 0.00 -1.00 0.00 0.00 57.85 56.53 2kua n ARG 118 Cb 0.50 -0.16 -0.00 0.00 -1.05 0.00 0.00 32.46 31.74 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2kua h VAL 119 N 4.39 0.00 0.02 8.89 2.07 -1.98 -3.23 116.25 126.41 2kua h VAL 119 Ca 0.00 -0.10 -0.26 0.00 0.82 0.00 0.00 66.70 67.16 2kua h VAL 119 Cb 1.07 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2kua h VAL 119 CO 0.00 0.00 -1.41 0.16 0.02 0.00 0.00 177.57 176.34 2kua h ILE 120 N -0.11 1.23 -0.67 4.57 -2.65 -1.91 -3.22 117.51 114.75 2kua h ILE 120 Ca -0.00 -3.00 -0.06 0.00 1.03 0.00 0.00 64.86 62.83 2kua h ILE 120 Cb 0.01 2.64 -0.03 0.00 -2.05 0.00 0.00 36.82 37.39 2kua h ILE 120 CO 0.00 0.74 0.17 1.62 0.03 0.00 0.00 178.15 180.71 2kua h VAL 121 N 0.01 1.26 -0.08 0.16 3.04 -1.79 0.26 116.25 119.11 2kua h VAL 121 Ca -0.17 -0.95 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 2kua h VAL 121 Cb 1.92 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2kua h VAL 121 CO 0.11 0.36 -0.02 0.00 -1.01 0.00 0.00 177.57 177.01 2kua h THR 122 N 1.01 1.30 -0.12 3.17 1.03 -1.68 0.33 112.91 117.95 2kua h THR 122 Ca 0.21 -0.97 -0.02 0.00 -0.01 0.00 0.00 66.41 65.62 2kua h THR 122 Cb 0.36 1.78 -0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2kua h THR 122 CO 0.00 0.27 0.00 0.08 -0.01 0.00 0.00 175.52 175.86 2kua h ARG 123 N -0.19 0.21 0.00 0.00 0.11 -1.55 -1.43 114.38 111.54 2kua h ARG 123 Ca 0.02 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 2kua h ARG 123 Cb 0.44 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2kua h ARG 123 CO 0.01 0.45 -0.37 -0.44 0.10 0.00 0.00 179.97 179.72 2kua h ASP 124 N -0.05 0.00 -0.26 0.08 3.32 -0.53 -2.65 116.42 116.32 2kua h ASP 124 Ca 0.03 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 2kua h ASP 124 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2kua h ASP 124 CO 0.01 0.37 -0.56 0.00 -1.72 0.00 0.00 179.24 177.34 2kua h LEU 127 N 0.73 -0.13 -0.42 0.00 8.10 -1.48 0.32 115.31 122.43 2kua h LEU 127 Ca 0.14 -0.40 0.07 0.00 0.11 0.00 0.00 57.88 57.80 2kua h LEU 127 Cb 0.49 0.03 -0.06 0.00 -0.44 0.00 0.00 40.66 40.68 2kua h LEU 127 CO 0.02 0.50 0.07 -0.29 -4.11 0.00 0.00 178.44 174.63 2kua h ILE 128 N -0.92 0.76 -0.04 0.15 2.10 -0.79 -1.53 117.51 117.24 2kua h ILE 128 Ca -0.02 -0.07 -0.15 0.00 1.08 0.00 0.00 64.86 65.71 2kua h ILE 128 Cb 0.52 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 2kua h ILE 128 CO 0.03 0.04 -0.64 0.58 -1.08 0.00 0.00 178.15 177.07 2kua h VAL 129 N 0.20 1.42 -0.35 2.19 2.07 -1.09 -3.04 116.25 117.65 2kua h VAL 129 Ca 0.21 -2.11 0.04 0.00 0.82 0.00 0.00 66.70 65.66 2kua h VAL 129 Cb 0.27 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2kua h VAL 129 CO -0.28 0.62 0.12 -1.13 0.02 0.00 0.00 177.57 176.91 2kua h ASN 130 N 0.11 0.12 0.47 0.57 -1.24 0.04 1.38 115.58 117.04 2kua h ASN 130 Ca -0.01 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 2kua h ASN 130 Cb 1.15 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.24 2kua h ASN 130 CO 0.09 0.11 -0.22 0.15 -1.29 0.00 0.00 177.43 176.27 2kua h PHE 131 N 0.26 -0.58 0.00 0.67 3.57 -1.37 0.74 116.94 120.23 2kua h PHE 131 Ca 0.16 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2kua h PHE 131 Cb 0.14 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2kua h PHE 131 CO -0.15 -0.27 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.45 2kua h LEU 132 N -0.85 0.00 -0.08 0.59 4.07 -1.41 -0.24 115.31 117.40 2kua h LEU 132 Ca -0.06 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.65 2kua h LEU 132 Cb 0.57 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.32 2kua h LEU 132 CO 0.11 0.14 -1.02 0.22 -1.08 0.00 0.00 178.44 176.80 2kua h TYR 133 N 0.00 0.76 -0.01 1.13 5.03 0.20 -2.95 116.97 121.13 2kua h TYR 133 Ca -0.00 -0.43 -0.22 0.00 2.58 0.00 0.00 58.73 60.65 2kua h TYR 133 Cb 0.33 -0.08 0.02 0.00 1.55 0.00 0.00 36.73 38.54 2kua h TYR 133 CO 0.00 1.26 -0.87 -0.91 -1.32 0.00 0.00 178.16 176.32 2kua h ASN 134 N 0.27 0.79 -0.52 -2.11 2.35 -0.35 0.25 115.58 116.25 2kua h ASN 134 Ca -0.11 -0.74 0.04 0.00 -0.55 0.00 0.00 56.30 54.94 2kua h ASN 134 Cb 1.67 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.76 2kua h ASN 134 CO 0.18 1.42 0.29 -0.07 -1.65 0.00 0.00 177.43 177.60 2kua h LEU 135 N 0.24 0.44 0.00 1.61 3.38 -1.14 -0.16 115.31 119.67 2kua h LEU 135 Ca -0.11 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2kua h LEU 135 Cb 1.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2kua h LEU 135 CO 0.17 0.30 -0.51 0.17 0.09 0.00 0.00 178.44 178.67 2kua h LEU 136 N 0.56 0.00 -3.40 1.67 8.10 -1.59 -3.23 115.31 117.43 2kua h LEU 136 Ca 0.22 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 58.03 2kua h LEU 136 Cb 0.09 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.20 2kua h LEU 136 CO -0.13 0.30 0.23 0.80 -4.11 0.00 0.00 178.44 175.53 2kua n MET 137 N -3.09 3.39 -2.03 0.17 1.56 0.08 -2.38 117.12 114.82 2kua n MET 137 Ca 0.01 -2.63 -0.32 0.00 -0.27 0.00 0.00 57.70 54.49 2kua n MET 137 Cb 0.66 -2.09 0.00 0.00 2.15 0.00 0.00 33.22 33.94 2kua n MET 137 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2kua s GLY 138 N -0.78 1.86 0.14 -5.12 0.00 -0.14 -4.68 107.32 98.61 2kua s GLY 138 Ca 0.47 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 45.03 2kua s GLY 138 CO 0.12 0.37 1.61 3.21 0.00 0.00 0.00 173.10 178.41 2kua h ARG 139 N 0.14 -0.34 0.11 2.90 2.47 -1.91 1.04 114.38 118.79 2kua h ARG 139 Ca -0.45 0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 58.12 2kua h ARG 139 Cb 1.19 0.08 0.02 0.00 -1.65 0.00 0.00 29.97 29.61 2kua h ARG 139 CO 0.60 -0.23 -0.73 0.07 0.56 0.00 0.00 179.97 180.24 2kua h ARG 140 N -0.35 0.30 0.71 0.04 0.11 -1.93 -2.96 114.38 110.30 2kua h ARG 140 Ca 0.11 -0.47 -0.03 0.00 0.10 0.00 0.00 59.98 59.69 2kua h ARG 140 Cb 0.53 0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.78 2kua h ARG 140 CO -0.39 1.20 -0.41 0.45 0.10 0.00 0.00 179.97 180.93 2kua h HIS 141 N -0.35 -1.08 -0.34 4.08 3.86 -1.80 -2.12 115.15 117.40 2kua h HIS 141 Ca -0.12 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2kua h HIS 141 Cb 1.55 0.38 -0.08 0.00 1.06 0.00 0.00 27.41 30.31 2kua h HIS 141 CO 0.19 -0.62 -0.23 -0.09 0.86 0.00 0.00 177.93 178.04 2kua h ARG 142 N -1.04 -0.18 -1.05 2.45 1.12 0.15 0.14 114.38 115.98 2kua h ARG 142 Ca -0.10 0.01 0.27 0.00 -1.11 0.00 0.00 59.98 59.05 2kua h ARG 142 Cb 0.82 0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 30.72 2kua h ARG 142 CO 0.12 -0.12 0.67 0.00 -3.11 0.00 0.00 179.97 177.53 2kua h ALA 143 N 0.98 2.20 0.01 2.80 0.00 -1.46 -0.91 119.26 122.88 2kua h ALA 143 Ca 0.17 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kua h ALA 143 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kua h ALA 143 CO -0.45 -0.62 -0.10 -0.09 0.00 0.00 0.00 179.25 177.99 2kua h ARG 144 N 0.40 0.06 -0.89 0.00 9.65 -0.20 -1.50 114.38 121.91 2kua h ARG 144 Ca 0.61 -0.07 0.22 0.00 -1.10 0.00 0.00 59.98 59.64 2kua h ARG 144 Cb 1.51 0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 29.99 2kua h ARG 144 CO -0.32 0.90 0.35 1.25 2.80 0.00 0.00 179.97 184.96 2kua h LEU 145 N -0.76 0.24 0.01 3.80 7.12 0.46 0.21 115.31 126.39 2kua h LEU 145 Ca -0.01 0.16 -0.23 0.00 0.13 0.00 0.00 57.88 57.93 2kua h LEU 145 Cb 0.94 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.21 2kua h LEU 145 CO 0.02 -0.04 -1.12 1.05 -0.13 0.00 0.00 178.44 178.21 2kua h GLU 146 N 0.35 0.01 0.00 1.25 4.11 -1.37 -1.52 114.58 117.41 2kua h GLU 146 Ca 0.56 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.97 2kua h GLU 146 Cb 1.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2kua h GLU 146 CO -0.56 0.93 0.00 0.00 0.07 0.00 0.00 179.01 179.45 2kua h ALA 147 N 0.98 1.00 -0.43 1.06 0.00 0.50 0.22 119.26 122.58 2kua h ALA 147 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2kua h ALA 147 Cb 1.82 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.50 2kua h ALA 147 CO 0.12 0.00 0.06 1.47 0.00 0.00 0.00 179.25 180.90 2kua n LEU 148 N -2.35 4.53 0.00 0.00 -0.00 -0.84 -4.87 117.00 113.46 2kua n LEU 148 Ca -0.01 -3.51 0.00 0.00 -0.00 0.00 0.00 56.01 52.49 2kua n LEU 148 Cb 0.05 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 2kua n LEU 148 CO 0.11 1.04 0.00 0.61 -0.00 0.00 0.00 177.39 179.15 2kua n GLY 149 N -0.88 0.63 5.95 1.47 0.00 0.03 -4.49 105.19 107.88 2kua n GLY 149 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.37 2kua n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kua n GLY 150 N -2.02 -0.44 0.53 -0.02 0.00 -0.57 0.27 105.19 102.94 2kua n GLY 150 Ca 0.00 -0.41 0.42 0.00 0.00 0.00 0.00 46.02 46.03 2kua n GLY 150 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kua n TRP 151 N -1.01 0.32 -0.06 1.61 5.03 -1.26 0.17 117.44 122.24 2kua n TRP 151 Ca 0.00 0.32 -0.10 0.00 3.03 0.00 0.00 57.50 60.75 2kua n TRP 151 Cb 0.04 -0.76 -0.04 0.00 -1.03 0.00 0.00 31.31 29.53 2kua n TRP 151 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 2kua h ASP 152 N 0.00 0.28 -0.01 -0.99 1.82 -1.84 -2.33 116.42 113.35 2kua h ASP 152 Ca 0.82 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 57.32 2kua h ASP 152 Cb 2.96 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 42.89 2kua h ASP 152 CO -0.22 0.31 -0.04 1.23 -1.61 0.00 0.00 179.24 178.92 2kua h GLY 153 N 0.22 0.16 0.63 -0.78 0.00 0.64 -2.81 103.07 101.12 2kua h GLY 153 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2kua h GLY 153 CO -0.01 0.07 -0.09 -2.75 0.00 0.00 0.00 176.54 173.76 2kua h PHE 154 N 0.14 -0.24 -0.99 5.60 3.57 -1.20 0.38 116.94 124.21 2kua h PHE 154 Ca 0.03 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.72 2kua h PHE 154 Cb 0.18 0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.90 2kua h PHE 154 CO 0.00 0.12 0.61 0.00 -2.23 0.00 0.00 178.31 176.81 2kua h ARG 156 N 0.72 0.00 -0.26 0.00 1.12 -1.44 -0.88 114.38 113.65 2kua h ARG 156 Ca 0.55 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 59.34 2kua h ARG 156 Cb 0.92 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 2kua h ARG 156 CO -0.33 0.67 -0.16 0.35 -3.11 0.00 0.00 179.97 177.39 2kua h PHE 157 N 0.00 0.66 -0.13 2.20 3.57 0.16 -3.08 116.94 120.32 2kua h PHE 157 Ca -0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2kua h PHE 157 Cb 1.48 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2kua h PHE 157 CO 0.00 0.84 0.00 1.19 -2.23 0.00 0.00 178.31 178.11 2kua n PHE 158 N -4.43 0.15 -3.39 0.41 3.01 -0.23 -5.01 117.46 107.98 2kua n PHE 158 Ca -0.04 -0.08 -0.28 0.00 1.01 0.00 0.00 57.45 58.07 2kua n PHE 158 Cb 0.38 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.88 2kua n PHE 158 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2kua n LYS 159 N 0.93 -1.54 -0.80 -1.08 4.01 -0.37 -4.85 118.16 114.46 2kua n LYS 159 Ca 0.17 1.30 -0.34 0.00 -0.51 0.00 0.00 58.31 58.93 2kua n LYS 159 Cb 0.50 -1.94 0.12 0.00 -0.51 0.00 0.00 35.03 33.20 2kua n LYS 159 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2kua n ASN 160 N 0.21 -2.78 -0.01 4.39 6.94 -1.00 -4.92 115.26 118.08 2kua n ASN 160 Ca -0.06 -0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.37 2kua n ASN 160 Cb 0.62 -0.87 -0.10 0.00 -2.36 0.00 0.00 39.78 37.07 2kua n ASN 160 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2kua h PRO 161 N -1.65 -0.01 -4.89 -0.53 0.13 -1.94 -3.42 132.00 119.69 2kua h PRO 161 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 2kua h PRO 161 Cb 1.35 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.26 2kua h PRO 161 CO 0.32 0.48 -0.60 -0.51 -0.23 0.00 0.00 178.00 177.46 2kua s LEU 162 N -9.23 3.65 0.17 1.56 1.02 -1.26 -4.98 118.68 109.61 2kua s LEU 162 Ca -0.16 -0.32 -0.07 0.00 0.02 0.00 0.00 54.13 53.60 2kua s LEU 162 Cb 0.02 -1.94 0.06 0.00 0.02 0.00 0.00 46.19 44.34 2kua s LEU 162 CO 0.67 -0.09 1.52 1.55 0.02 0.00 0.00 176.35 180.02 2kua h PRO 163 N 8.27 0.78 -7.66 1.29 0.13 -1.99 -3.45 132.00 129.38 2kua h PRO 163 Ca -0.36 -0.41 -0.44 0.00 -0.87 0.00 0.00 66.00 63.92 2kua h PRO 163 Cb 1.16 0.01 0.17 0.00 0.13 0.00 0.00 31.00 32.48 2kua h PRO 163 CO 0.59 1.04 0.32 -0.48 -0.23 0.00 0.00 178.00 179.24 2kua s LEU 164 N -8.72 2.01 0.00 1.56 2.34 -1.26 -5.14 118.68 109.47 2kua s LEU 164 Ca -0.09 0.46 0.00 0.00 0.06 0.00 0.00 54.13 54.55 2kua s LEU 164 Cb 0.12 -2.44 0.00 0.00 -0.56 0.00 0.00 46.19 43.31 2kua s LEU 164 CO 0.86 -3.13 0.00 0.61 -1.06 0.00 0.00 176.35 173.63