#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 0.01 -0.93 1.61 -0.04 -1.26 -4.88 135.00 129.52 2kua n PRO -4 Ca 0.00 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.41 2kua n PRO -4 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2kua n PRO -4 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kua n LEU -3 N -1.49 -3.59 -4.77 1.53 7.94 -1.26 -4.81 117.00 110.56 2kua n LEU -3 Ca 0.04 0.39 -0.39 0.00 -1.11 0.00 0.00 56.01 54.94 2kua n LEU -3 Cb 0.16 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.46 2kua n LEU -3 CO 0.13 -4.17 0.94 -0.83 -1.11 0.00 0.00 177.39 172.35 2kua s GLY -2 N -0.80 2.89 -0.83 -3.96 0.00 -1.26 -4.81 107.32 98.56 2kua s GLY -2 Ca 0.41 1.20 -0.21 0.00 0.00 0.00 0.00 44.72 46.11 2kua s GLY -2 CO 0.57 1.76 2.10 1.44 0.00 0.00 0.00 173.10 178.97 2kua n SER 0 N -0.13 0.77 -0.09 1.64 7.64 -1.26 -4.63 113.62 117.57 2kua n SER 0 Ca 0.05 -1.76 -0.16 0.00 1.01 0.00 0.00 58.87 58.01 2kua n SER 0 Cb 0.44 -1.43 -0.08 0.00 -1.01 0.00 0.00 64.21 62.13 2kua n SER 0 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2kua n MET 1 N 7.64 0.53 -3.91 1.43 3.85 -1.26 -5.09 117.12 120.31 2kua n MET 1 Ca 0.41 0.53 0.03 0.00 -1.00 0.00 0.00 57.70 57.68 2kua n MET 1 Cb 0.42 -1.71 0.01 0.00 -1.05 0.00 0.00 33.22 30.89 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 -2.51 -2.51 -0.07 3.17 0.00 -1.26 -5.06 121.76 113.51 2kua s ALA 2 Ca -0.25 0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2kua s ALA 2 Cb 0.05 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 23.87 2kua s ALA 2 CO 0.45 -1.13 -0.02 -0.40 0.00 0.00 0.00 175.76 174.66 2kua n ASP 3 N -0.92 3.35 -0.03 0.00 5.75 -1.26 -4.53 116.55 118.91 2kua n ASP 3 Ca 0.01 -0.02 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 2kua n ASP 3 Cb 0.60 0.31 0.37 0.00 -1.03 0.00 0.00 41.12 41.37 2kua n ASP 3 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2kua n SER 4 N -2.47 0.09 0.07 -1.12 3.41 -1.26 -3.18 113.62 109.16 2kua n SER 4 Ca -0.13 -1.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.00 2kua n SER 4 Cb 0.69 -0.01 0.34 0.00 -0.26 0.00 0.00 64.21 64.98 2kua n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kua n GLN 5 N -0.64 0.23 -0.74 4.33 6.02 -1.26 -4.72 117.38 120.59 2kua n GLN 5 Ca 0.10 0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 56.90 2kua n GLN 5 Cb 0.06 -1.71 0.14 0.00 1.02 0.00 0.00 30.24 29.75 2kua n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2kua n ASP 6 N -2.08 -1.93 -0.03 1.08 8.00 -1.19 -4.92 116.55 115.48 2kua n ASP 6 Ca 0.05 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 2kua n ASP 6 Cb 0.42 -1.17 -0.09 0.00 -0.02 0.00 0.00 41.12 40.25 2kua n ASP 6 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kua h PRO 7 N -1.77 0.12 -0.08 -0.24 0.13 -1.94 -3.17 132.00 125.04 2kua h PRO 7 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kua h PRO 7 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kua h PRO 7 CO 0.36 0.57 0.00 1.47 -0.23 0.00 0.00 178.00 180.17 2kua n LEU 8 N -4.76 1.71 -0.33 1.56 -0.00 -1.26 -4.40 117.00 109.52 2kua n LEU 8 Ca -0.08 -0.63 -0.02 0.00 -0.00 0.00 0.00 56.01 55.28 2kua n LEU 8 Cb 0.28 -0.05 0.03 0.00 -0.00 0.00 0.00 43.42 43.69 2kua n LEU 8 CO 0.35 0.32 0.60 1.12 -0.00 0.00 0.00 177.39 179.78 2kua h HIS 9 N 2.51 -1.05 0.00 1.47 2.07 -1.86 1.40 115.15 119.69 2kua h HIS 9 Ca 0.00 0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.62 2kua h HIS 9 Cb 0.54 0.59 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2kua h HIS 9 CO 0.05 -0.40 0.00 1.49 -3.07 0.00 0.00 177.93 176.00 2kua h GLU 10 N -0.05 0.00 -0.01 5.12 4.57 -1.81 -2.94 114.58 119.46 2kua h GLU 10 Ca 0.31 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.32 2kua h GLU 10 Cb 0.58 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2kua h GLU 10 CO -0.90 0.00 -0.78 0.00 -1.18 0.00 0.00 179.01 176.15 2kua h ARG 11 N 0.00 0.12 0.07 1.92 -0.00 0.14 -2.79 114.38 113.85 2kua h ARG 11 Ca 0.00 -0.12 -0.15 0.00 -0.50 0.00 0.00 59.98 59.22 2kua h ARG 11 Cb 0.65 0.03 0.02 0.00 0.00 0.00 0.00 29.97 30.67 2kua h ARG 11 CO 0.00 0.83 -0.63 1.15 0.00 0.00 0.00 179.97 181.33 2kua h THR 12 N 0.07 1.51 -0.36 2.04 2.02 -0.47 -2.59 112.91 115.13 2kua h THR 12 Ca -0.02 -2.32 0.02 0.00 0.77 0.00 0.00 66.41 64.86 2kua h THR 12 Cb 1.36 2.99 -0.03 0.00 -1.74 0.00 0.00 68.15 70.73 2kua h THR 12 CO 0.11 0.66 0.19 -0.09 0.37 0.00 0.00 175.52 176.75 2kua h ARG 13 N -0.35 0.37 -0.29 6.66 9.65 -1.60 0.23 114.38 129.05 2kua h ARG 13 Ca -0.10 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 2kua h ARG 13 Cb 1.43 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 2kua h ARG 13 CO 0.12 0.25 0.06 0.07 2.80 0.00 0.00 179.97 183.26 2kua h ARG 14 N 0.38 0.48 -0.01 0.20 -0.00 -1.61 0.68 114.38 114.50 2kua h ARG 14 Ca 0.15 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2kua h ARG 14 Cb 0.05 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 29.96 2kua h ARG 14 CO -0.10 0.57 0.01 1.25 -0.00 0.00 0.00 179.97 181.70 2kua h LEU 15 N 0.31 0.01 0.13 0.08 5.85 -1.17 0.50 115.31 121.02 2kua h LEU 15 Ca 0.09 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2kua h LEU 15 Cb 0.32 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2kua h LEU 15 CO 0.00 0.08 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.05 2kua h LEU 16 N -0.05 -0.15 -0.97 2.25 4.07 -0.51 -2.38 115.31 117.57 2kua h LEU 16 Ca 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 2kua h LEU 16 Cb 0.07 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2kua h LEU 16 CO -0.00 -0.01 0.39 0.77 -1.08 0.00 0.00 178.44 178.51 2kua h SER 17 N -0.27 1.02 -0.66 -0.43 4.64 -0.80 -2.61 113.55 114.43 2kua h SER 17 Ca -0.02 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2kua h SER 17 Cb 0.22 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 2kua h SER 17 CO 0.03 0.85 0.35 0.44 -0.87 0.00 0.00 176.83 177.63 2kua h ASP 18 N 1.12 0.51 -0.62 4.97 3.32 0.21 -2.04 116.42 123.88 2kua h ASP 18 Ca 0.27 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 2kua h ASP 18 Cb 0.09 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2kua h ASP 18 CO -0.04 0.32 0.36 0.22 -1.72 0.00 0.00 179.24 178.38 2kua h TYR 19 N 0.64 0.84 -0.76 4.55 3.20 -1.05 -2.64 116.97 121.75 2kua h TYR 19 Ca 0.31 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.31 2kua h TYR 19 Cb 0.23 -0.27 -0.10 0.00 1.54 0.00 0.00 36.73 38.13 2kua h TYR 19 CO -0.09 0.59 0.28 0.82 -1.64 0.00 0.00 178.16 178.12 2kua h ILE 20 N 0.85 0.62 0.21 1.81 1.08 -1.15 0.34 117.51 121.26 2kua h ILE 20 Ca 0.22 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2kua h ILE 20 Cb 0.01 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 2kua h ILE 20 CO -0.04 0.07 -0.10 -0.26 -0.69 0.00 0.00 178.15 177.14 2kua h PHE 21 N 0.40 -0.26 -0.64 1.37 -1.00 -1.26 -2.04 116.94 113.51 2kua h PHE 21 Ca 0.42 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.26 2kua h PHE 21 Cb 0.67 0.08 -0.06 0.00 3.61 0.00 0.00 35.95 40.25 2kua h PHE 21 CO -0.18 -0.12 0.33 0.35 -1.61 0.00 0.00 178.31 177.08 2kua h PHE 22 N -0.32 0.60 0.00 -0.55 3.04 -1.13 0.11 116.94 118.69 2kua h PHE 22 Ca -0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2kua h PHE 22 Cb 0.25 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.58 2kua h PHE 22 CO -0.05 0.26 0.00 0.00 -2.02 0.00 0.00 178.31 176.50 2kua n ALA 24 N -1.96 2.65 -3.66 0.00 0.00 0.37 -4.71 120.51 113.21 2kua n ALA 24 Ca -0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 2kua n ALA 24 Cb 0.16 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.48 2.66 1.00 0.00 1.81 -0.65 -4.99 118.95 117.29 2kua s ARG 25 Ca 0.09 -1.11 -0.14 0.00 -1.72 0.00 0.00 55.73 52.86 2kua s ARG 25 Cb 0.06 -3.09 0.07 0.00 -0.45 0.00 0.00 34.95 31.54 2kua s ARG 25 CO 0.04 -0.50 0.37 0.39 -0.68 0.00 0.00 175.30 174.92 2kua n GLU 26 N 4.66 -0.69 0.13 3.54 1.02 -1.26 -4.85 120.64 123.19 2kua n GLU 26 Ca -0.15 -0.16 0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2kua n GLU 26 Cb 0.45 -1.86 0.50 0.00 -0.02 0.00 0.00 31.44 30.51 2kua n GLU 26 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kua n PRO 27 N -2.04 0.20 -0.16 3.49 -0.04 -1.26 -1.98 135.00 133.21 2kua n PRO 27 Ca 0.05 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 2kua n PRO 27 Cb 0.56 -1.88 0.28 0.00 -0.04 0.00 0.00 33.50 32.41 2kua n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kua n ASP 28 N -2.25 2.66 -3.97 3.54 8.00 -1.26 -4.88 116.55 118.40 2kua n ASP 28 Ca 0.02 -1.89 -0.15 0.00 0.71 0.00 0.00 54.79 53.48 2kua n ASP 28 Cb 0.23 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.58 0.42 0.26 -3.53 -1.32 -0.84 -5.14 115.64 103.92 2kua s THR 29 Ca 0.35 -0.30 -0.29 0.00 -1.21 0.00 0.00 61.69 60.24 2kua s THR 29 Cb 0.20 -0.37 -0.09 0.00 -1.51 0.00 0.00 72.50 70.73 2kua s THR 29 CO 0.28 0.07 1.26 -2.16 -2.21 0.00 0.00 174.62 171.86 2kua s PRO 30 N -0.26 4.43 0.30 7.08 0.04 -1.26 -4.53 135.00 140.79 2kua s PRO 30 Ca 0.01 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2kua s PRO 30 Cb -0.03 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2kua s PRO 30 CO -0.00 -0.12 0.33 -1.83 0.04 0.00 0.00 177.00 175.41 2kua s GLU 31 N -1.02 3.02 0.79 4.56 1.03 -1.26 -5.01 118.70 120.81 2kua s GLU 31 Ca 0.51 -1.06 -0.11 0.00 0.03 0.00 0.00 54.97 54.35 2kua s GLU 31 Cb -0.37 -2.67 0.07 0.00 -0.80 0.00 0.00 34.13 30.36 2kua s GLU 31 CO 0.44 0.23 1.09 -1.25 -1.33 0.00 0.00 175.26 174.44 2kua s PRO 32 N -4.00 2.10 1.02 -4.83 0.04 -1.26 -5.04 135.00 123.03 2kua s PRO 32 Ca 0.39 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2kua s PRO 32 Cb -0.08 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.78 2kua s PRO 32 CO 0.28 -1.74 1.09 -1.25 0.04 0.00 0.00 177.00 175.42 2kua s PRO 33 N -4.91 0.28 0.61 0.56 0.04 -1.26 -4.95 135.00 125.37 2kua s PRO 33 Ca 0.61 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 2kua s PRO 33 Cb -0.17 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2kua s PRO 33 CO 0.56 -2.82 1.12 -1.25 0.04 0.00 0.00 177.00 174.65 2kua s PRO 34 N -4.97 3.06 -0.12 0.56 0.04 -1.26 -5.01 135.00 127.29 2kua s PRO 34 Ca 0.66 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2kua s PRO 34 Cb -0.19 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2kua s PRO 34 CO 0.58 -1.06 0.29 1.15 0.04 0.00 0.00 177.00 177.99 2kua h THR 35 N 0.55 0.73 -3.69 1.26 2.02 -1.95 -3.49 112.91 108.33 2kua h THR 35 Ca -0.48 -1.57 -0.17 0.00 0.77 0.00 0.00 66.41 64.95 2kua h THR 35 Cb 1.25 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 2kua h THR 35 CO 0.55 0.25 -0.02 -0.55 0.37 0.00 0.00 175.52 176.12 2kua s SER 36 N -5.88 0.55 0.21 4.18 0.15 -1.26 -4.99 113.70 106.65 2kua s SER 36 Ca -0.10 -1.34 -0.19 0.00 0.70 0.00 0.00 55.95 55.02 2kua s SER 36 Cb -0.01 0.73 0.17 0.00 -1.71 0.00 0.00 66.02 65.21 2kua s SER 36 CO 0.31 -1.44 1.57 0.58 1.20 0.00 0.00 173.24 175.46 2kua h VAL 37 N 2.07 0.09 -0.96 4.45 2.07 -1.97 0.62 116.25 122.62 2kua h VAL 37 Ca -0.29 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.39 2kua h VAL 37 Cb 1.24 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 2kua h VAL 37 CO 0.39 0.00 0.61 1.05 0.02 0.00 0.00 177.57 179.64 2kua h GLU 38 N -0.09 0.75 -0.05 1.57 4.11 -1.97 0.12 114.58 119.01 2kua h GLU 38 Ca 0.28 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 2kua h GLU 38 Cb 0.57 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kua h GLU 38 CO -0.82 0.49 -0.65 0.00 0.07 0.00 0.00 179.01 178.11 2kua h ALA 39 N 1.60 0.80 -0.02 1.06 0.00 -0.28 -3.06 119.26 119.35 2kua h ALA 39 Ca 0.51 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2kua h ALA 39 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kua h ALA 39 CO -0.28 0.76 -0.61 0.00 0.00 0.00 0.00 179.25 179.13 2kua h ALA 40 N 1.16 0.95 -0.03 0.00 0.00 0.18 -2.98 119.26 118.54 2kua h ALA 40 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2kua h ALA 40 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kua h ALA 40 CO 0.10 0.75 -0.00 1.25 0.00 0.00 0.00 179.25 181.35 2kua h LEU 41 N 0.05 0.06 0.35 0.00 7.12 -0.92 -2.58 115.31 119.39 2kua h LEU 41 Ca -0.01 -0.34 -0.00 0.00 0.13 0.00 0.00 57.88 57.66 2kua h LEU 41 Cb 1.09 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.18 2kua h LEU 41 CO 0.08 0.38 -0.32 -0.07 -0.13 0.00 0.00 178.44 178.38 2kua h LEU 42 N -0.26 -0.86 -1.99 2.25 3.38 -1.56 0.53 115.31 116.81 2kua h LEU 42 Ca 0.01 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2kua h LEU 42 Cb 0.35 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2kua h LEU 42 CO 0.00 -0.46 0.44 0.08 0.09 0.00 0.00 178.44 178.59 2kua h ARG 43 N -0.69 0.00 0.01 1.13 -0.00 -1.57 4.23 114.38 117.49 2kua h ARG 43 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.82 2kua h ARG 43 Cb 0.62 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.57 2kua h ARG 43 CO -0.04 0.00 -0.75 1.03 -0.00 0.00 0.00 179.97 180.20 2kua h SER 44 N 0.00 0.03 0.00 0.08 0.87 -0.81 -3.32 113.55 110.40 2kua h SER 44 Ca 0.20 -0.73 -0.27 0.00 -1.23 0.00 0.00 61.79 59.76 2kua h SER 44 Cb 1.07 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 2kua h SER 44 CO -0.00 1.30 -1.54 1.33 -0.53 0.00 0.00 176.83 177.39 2kua n VAL 45 N -4.47 1.52 -0.25 2.23 0.24 0.18 -4.27 118.33 113.51 2kua n VAL 45 Ca -0.23 -0.10 0.28 0.00 -2.04 0.00 0.00 64.34 62.26 2kua n VAL 45 Cb 0.62 -2.05 0.66 0.00 -1.47 0.00 0.00 33.84 31.60 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 -0.30 3.34 1.03 0.81 0.43 112.91 117.75 2kua h THR 46 Ca -0.40 -0.05 -0.00 0.00 -0.01 0.00 0.00 66.41 65.95 2kua h THR 46 Cb 1.30 0.38 -0.01 0.00 -1.07 0.00 0.00 68.15 68.74 2kua h THR 46 CO -0.24 0.03 0.17 0.08 -0.01 0.00 0.00 175.52 175.55 2kua h ARG 47 N 0.14 0.40 0.09 0.00 -0.00 -1.47 -1.99 114.38 111.55 2kua h ARG 47 Ca 0.50 -0.03 -0.26 0.00 -0.00 0.00 0.00 59.98 60.19 2kua h ARG 47 Cb 1.73 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.60 2kua h ARG 47 CO -0.09 0.28 -1.18 -0.56 -0.00 0.00 0.00 179.97 178.42 2kua h GLN 48 N 0.41 0.18 -0.14 0.08 -0.00 -0.35 -2.84 115.11 112.45 2kua h GLN 48 Ca 0.11 -0.32 -0.03 0.00 -0.00 0.00 0.00 58.65 58.41 2kua h GLN 48 Cb -0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 2kua h GLN 48 CO -0.02 1.14 -0.07 0.82 -0.00 0.00 0.00 178.83 180.71 2kua h ILE 49 N 0.05 1.14 0.00 1.86 1.08 -1.01 -2.33 117.51 118.30 2kua h ILE 49 Ca -0.10 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2kua h ILE 49 Cb 1.91 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 2kua h ILE 49 CO 0.18 0.18 -0.06 1.56 -0.69 0.00 0.00 178.15 179.32 2kua h GLN 50 N 0.20 0.00 0.00 2.37 4.20 -1.49 -1.30 115.11 119.10 2kua h GLN 50 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kua h GLN 50 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2kua h GLN 50 CO 0.01 0.00 0.63 -0.56 -0.67 0.00 0.00 178.83 178.24 2kua h GLN 51 N -0.84 0.00 0.03 1.46 3.07 -1.54 5.43 115.11 122.72 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 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.57 2kua h GLN 51 CO 0.00 0.00 -2.29 -0.85 0.09 0.00 0.00 178.83 175.78 2kua n GLU 52 N -2.68 0.66 -0.11 0.06 0.28 -0.88 -4.62 120.64 113.34 2kua n GLU 52 Ca -0.01 0.22 -0.19 0.00 -0.16 0.00 0.00 57.16 57.02 2kua n GLU 52 Cb 0.65 -1.58 -0.10 0.00 1.43 0.00 0.00 31.44 31.85 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 -3.55 0.00 -0.08 -1.84 8.25 0.83 -4.42 115.22 114.41 2kua n HIS 53 Ca -0.43 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.22 2kua n HIS 53 Cb 0.97 -0.85 0.29 0.00 1.12 0.00 0.00 29.99 31.52 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 -3.49 0.02 -0.40 -0.41 -0.00 1.73 0.13 117.38 114.96 2kua n GLN 54 Ca -0.42 0.89 0.36 0.00 -0.00 0.00 0.00 57.00 57.83 2kua n GLN 54 Cb 0.89 -2.26 0.70 0.00 -0.00 0.00 0.00 30.24 29.56 2kua n GLN 54 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2kua h GLU 55 N 0.00 0.09 0.00 2.61 4.11 -1.76 -0.14 114.58 119.49 2kua h GLU 55 Ca 0.34 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 59.46 2kua h GLU 55 Cb 2.42 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.59 2kua h GLU 55 CO -0.00 0.06 -2.14 1.19 0.07 0.00 0.00 179.01 178.19 2kua n PHE 56 N -4.32 0.00 0.09 2.06 3.01 0.12 -4.41 117.46 114.01 2kua n PHE 56 Ca 0.30 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.64 2kua n PHE 56 Cb 1.32 -0.78 -0.06 0.00 -0.01 0.00 0.00 39.48 39.94 2kua n PHE 56 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 2kua h PHE 57 N 0.00 -0.91 -0.72 1.38 0.04 -1.25 -2.08 116.94 113.39 2kua h PHE 57 Ca -0.45 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.50 2kua h PHE 57 Cb 1.80 0.39 -0.10 0.00 2.20 0.00 0.00 35.95 40.24 2kua h PHE 57 CO 0.02 -0.43 0.19 1.03 -0.60 0.00 0.00 178.31 178.52 2kua h SER 58 N -0.52 0.06 -0.92 2.17 0.87 -1.32 0.22 113.55 114.11 2kua h SER 58 Ca 0.05 0.14 0.20 0.00 -1.23 0.00 0.00 61.79 60.94 2kua h SER 58 Cb 0.58 0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 2kua h SER 58 CO -0.24 -0.01 0.60 -1.28 -0.53 0.00 0.00 176.83 175.38 2kua h SER 59 N 0.30 0.46 -0.02 6.23 0.87 -1.59 -0.94 113.55 118.85 2kua h SER 59 Ca 0.40 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.88 2kua h SER 59 Cb 0.67 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2kua h SER 59 CO -0.48 0.18 -0.50 -0.26 -0.53 0.00 0.00 176.83 175.24 2kua h PHE 60 N 0.45 0.54 -0.27 2.24 0.04 -0.35 -3.00 116.94 116.60 2kua h PHE 60 Ca 0.49 -0.28 0.08 0.00 2.80 0.00 0.00 57.97 61.06 2kua h PHE 60 Cb 1.15 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 2kua h PHE 60 CO -0.00 1.08 0.56 0.00 -0.60 0.00 0.00 178.31 179.35 2kua n GLU 62 N -3.18 2.02 0.01 0.00 1.02 -1.06 -4.37 120.64 115.07 2kua n GLU 62 Ca 0.05 -3.45 -0.00 0.00 -0.02 0.00 0.00 57.16 53.74 2kua n GLU 62 Cb 0.68 -1.67 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2kua n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kua n SER 63 N -0.87 0.20 -0.00 1.62 2.88 0.17 -4.89 113.62 112.72 2kua n SER 63 Ca 0.24 0.03 0.08 0.00 -1.33 0.00 0.00 58.87 57.89 2kua n SER 63 Cb 0.80 -0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 64.05 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 -2.68 0.97 -0.97 -1.46 5.12 -1.20 -4.98 116.66 111.46 2kua n ARG 64 Ca -0.00 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2kua n ARG 64 Cb 0.01 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 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 1.46 0.62 1.29 -0.13 0.00 -1.25 -4.88 105.19 102.30 2kua n GLY 65 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 3.56 -0.37 1.61 5.03 -1.26 -4.57 115.26 119.18 2kua n ASN 66 Ca 0.00 -2.35 0.30 0.00 0.87 0.00 0.00 54.58 53.40 2kua n ASN 66 Cb 0.04 -0.65 0.49 0.00 -1.02 0.00 0.00 39.78 38.64 2kua n ASN 66 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2kua n ARG 67 N 0.34 -0.02 -0.04 3.52 0.00 -1.26 0.19 116.66 119.38 2kua n ARG 67 Ca 0.11 0.80 -0.12 0.00 -0.00 0.00 0.00 57.85 58.64 2kua n ARG 67 Cb 0.68 -1.65 -0.10 0.00 -0.00 0.00 0.00 32.46 31.39 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 -0.02 -1.56 2.89 5.85 -1.92 -2.62 115.31 117.93 2kua h LEU 68 Ca 0.60 -0.73 0.23 0.00 0.84 0.00 0.00 57.88 58.82 2kua h LEU 68 Cb 2.11 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 43.08 2kua h LEU 68 CO -0.21 0.79 0.63 -0.33 -0.34 0.00 0.00 178.44 178.98 2kua h GLU 69 N -0.91 0.33 0.05 1.25 3.07 0.16 0.11 114.58 118.64 2kua h GLU 69 Ca -0.00 -0.02 -0.27 0.00 -0.50 0.00 0.00 59.36 58.57 2kua h GLU 69 Cb 0.75 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.60 2kua h GLU 69 CO 0.00 0.22 -1.10 -0.07 -1.40 0.00 0.00 179.01 176.66 2kua h LEU 70 N 0.34 0.78 -0.21 1.33 4.07 -1.29 -1.68 115.31 118.64 2kua h LEU 70 Ca 0.49 -0.67 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 2kua h LEU 70 Cb 1.35 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 2kua h LEU 70 CO -0.17 1.47 0.13 1.62 -1.08 0.00 0.00 178.44 180.40 2kua h VAL 71 N 0.30 1.09 -0.08 1.22 3.04 -0.43 -0.19 116.25 121.19 2kua h VAL 71 Ca -0.14 -0.21 -0.17 0.00 -1.01 0.00 0.00 66.70 65.17 2kua h VAL 71 Cb 1.76 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 2kua h VAL 71 CO 0.21 0.08 -0.67 0.07 -1.01 0.00 0.00 177.57 176.25 2kua h LYS 72 N 0.25 0.35 -0.19 4.17 2.10 -1.28 -2.80 116.57 119.17 2kua h LYS 72 Ca 0.07 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.45 2kua h LYS 72 Cb 0.03 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2kua h LYS 72 CO -0.01 0.89 0.07 1.96 -2.00 0.00 0.00 179.45 180.36 2kua h GLN 73 N 0.25 0.29 0.53 0.07 7.50 -1.05 -2.43 115.11 120.27 2kua h GLN 73 Ca -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.05 2kua h GLN 73 Cb 1.21 -0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.70 2kua h GLN 73 CO 0.11 0.37 -0.26 0.52 -1.50 0.00 0.00 178.83 178.07 2kua h MET 74 N 0.15 -0.69 -0.21 1.46 2.86 -1.06 -2.02 114.93 115.42 2kua h MET 74 Ca 0.06 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2kua h MET 74 Cb 0.19 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2kua h MET 74 CO -0.00 -0.44 0.43 0.00 1.06 0.00 0.00 176.91 177.96 2kua h ALA 75 N -0.32 1.75 0.00 6.32 0.00 -1.50 0.64 119.26 126.15 2kua h ALA 75 Ca -0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2kua h ALA 75 Cb 0.57 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2kua h ALA 75 CO 0.12 -0.54 -1.04 0.22 0.00 0.00 0.00 179.25 178.01 2kua h ASP 76 N 0.00 0.00 0.03 0.00 3.58 -0.87 -1.26 116.42 117.90 2kua h ASP 76 Ca 0.10 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2kua h ASP 76 Cb 0.97 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 2kua h ASP 76 CO -0.00 0.81 -0.40 0.07 -2.88 0.00 0.00 179.24 176.83 2kua h LYS 77 N 0.00 0.06 0.00 0.28 2.10 0.79 -3.41 116.57 116.39 2kua h LYS 77 Ca -0.08 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2kua h LYS 77 Cb 1.68 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 33.05 2kua h LYS 77 CO 0.09 1.05 -0.12 1.37 -2.00 0.00 0.00 179.45 179.84 2kua h LEU 78 N -0.85 0.00-10.10 7.07 -0.00 -1.26 -3.47 115.31 106.70 2kua h LEU 78 Ca -0.09 -0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.29 2kua h LEU 78 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 2kua h LEU 78 CO -0.00 0.56 0.13 -0.76 -0.00 0.00 0.00 178.44 178.37 2kua s LEU 79 N -8.47 3.92 0.00 0.17 2.01 -0.47 -4.88 118.68 110.95 2kua s LEU 79 Ca -0.04 1.23 -0.03 0.00 0.01 0.00 0.00 54.13 55.30 2kua s LEU 79 Cb 0.00 -4.08 0.01 0.00 0.01 0.00 0.00 46.19 42.14 2kua s LEU 79 CO 0.06 -0.33 0.25 -0.24 1.01 0.00 0.00 176.35 177.10 2kua n SER 80 N -0.92 -0.71 -0.13 2.29 2.88 -1.26 -3.85 113.62 111.91 2kua n SER 80 Ca 0.03 -1.75 -0.25 0.00 -1.33 0.00 0.00 58.87 55.57 2kua n SER 80 Cb 0.54 1.26 -0.11 0.00 -0.75 0.00 0.00 64.21 65.15 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 -0.24 0.61 0.06 -1.46 2.85 -1.26 -4.48 118.16 114.24 2kua n LYS 81 Ca -0.01 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.58 2kua n LYS 81 Cb 0.25 -1.49 0.22 0.00 -0.65 0.00 0.00 35.03 33.36 2kua n LYS 81 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kua n ASP 82 N -3.85 0.69 -4.69 -5.58 -0.08 -1.26 -4.56 116.55 97.22 2kua n ASP 82 Ca -0.51 0.18 -0.38 0.00 -1.51 0.00 0.00 54.79 52.57 2kua n ASP 82 Cb 0.92 -0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.32 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kua s GLN 83 N -3.14 4.26 -1.33 -0.67 1.11 -1.26 -4.99 119.66 113.64 2kua s GLN 83 Ca 0.07 0.36 -0.16 0.00 0.01 0.00 0.00 55.36 55.64 2kua s GLN 83 Cb 0.14 -3.49 0.02 0.00 -1.01 0.00 0.00 33.01 28.67 2kua s GLN 83 CO 0.70 0.04 2.04 -0.25 0.01 0.00 0.00 175.29 177.82 2kua n ASP 84 N 4.14 4.03 -4.15 5.90 8.00 -1.26 -4.41 116.55 128.80 2kua n ASP 84 Ca -0.07 -2.84 -0.35 0.00 0.71 0.00 0.00 54.79 52.23 2kua n ASP 84 Cb 0.51 -1.64 0.08 0.00 -0.02 0.00 0.00 41.12 40.06 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2kua n PHE 85 N 7.34 -2.57 -4.31 1.24 1.16 -1.26 -5.00 117.46 114.06 2kua n PHE 85 Ca 0.51 0.25 -0.24 0.00 -1.87 0.00 0.00 57.45 56.09 2kua n PHE 85 Cb 0.42 -1.52 -0.08 0.00 -1.61 0.00 0.00 39.48 36.69 2kua n PHE 85 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2kua s SER 86 N -1.39 4.38 0.56 5.98 0.01 -1.26 -5.00 113.70 116.98 2kua s SER 86 Ca 0.46 -0.66 0.33 0.00 1.31 0.00 0.00 55.95 57.39 2kua s SER 86 Cb -0.09 -0.76 1.47 0.00 0.21 0.00 0.00 66.02 66.84 2kua s SER 86 CO 0.72 0.03 1.79 -0.50 0.41 0.00 0.00 173.24 175.69 2kua h TRP 87 N 2.22 0.00 -0.42 2.43 -0.00 -2.00 0.54 115.95 118.72 2kua h TRP 87 Ca -0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.36 2kua h TRP 87 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.38 2kua h TRP 87 CO 0.69 0.00 -0.10 0.77 -0.00 0.00 0.00 178.44 179.80 2kua h SER 88 N 0.00 0.72 0.05 -3.49 0.02 -2.00 -2.79 113.55 106.06 2kua h SER 88 Ca 0.45 -0.21 -0.24 0.00 -0.84 0.00 0.00 61.79 60.95 2kua h SER 88 Cb 1.98 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 64.34 2kua h SER 88 CO -0.00 0.86 -0.92 1.56 -1.14 0.00 0.00 176.83 177.18 2kua h GLN 89 N 0.67 0.64 0.23 3.45 1.08 -0.32 -2.63 115.11 118.24 2kua h GLN 89 Ca 0.12 -0.63 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 2kua h GLN 89 Cb 0.56 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 2kua h GLN 89 CO 0.03 1.23 -0.35 -0.07 -0.95 0.00 0.00 178.83 178.72 2kua h LEU 90 N 0.39 -0.99 -1.44 1.46 4.07 -1.29 -0.78 115.31 116.73 2kua h LEU 90 Ca -0.09 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 2kua h LEU 90 Cb 1.56 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 43.65 2kua h LEU 90 CO 0.18 -0.46 -0.12 -0.37 -1.08 0.00 0.00 178.44 176.59 2kua h VAL 91 N -0.65 1.17 -0.62 1.22 -1.51 -1.60 -2.67 116.25 111.59 2kua h VAL 91 Ca 0.00 -0.73 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 2kua h VAL 91 Cb 0.64 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.96 2kua h VAL 91 CO -0.14 0.23 0.33 -0.03 -1.23 0.00 0.00 177.57 176.73 2kua h MET 92 N 0.21 0.86 -0.81 5.19 -1.53 -0.97 -1.84 114.93 116.04 2kua h MET 92 Ca 0.04 -0.10 -0.02 0.00 -3.44 0.00 0.00 59.70 56.18 2kua h MET 92 Cb 0.35 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.19 2kua h MET 92 CO 0.02 0.66 0.41 1.25 0.14 0.00 0.00 176.91 179.39 2kua h LEU 93 N 0.84 1.04 -0.12 3.39 6.46 -0.82 -2.00 115.31 124.09 2kua h LEU 93 Ca 0.22 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2kua h LEU 93 Cb 0.05 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2kua h LEU 93 CO -0.03 0.86 0.06 -0.07 -0.62 0.00 0.00 178.44 178.64 2kua h LEU 94 N 1.13 0.16 -0.28 2.25 3.38 -1.35 -2.00 115.31 118.60 2kua h LEU 94 Ca 0.28 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2kua h LEU 94 Cb 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2kua h LEU 94 CO -0.04 0.24 0.05 0.00 0.09 0.00 0.00 178.44 178.78 2kua h ALA 95 N 0.92 0.29 0.57 1.53 0.00 -1.15 -2.43 119.26 119.00 2kua h ALA 95 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kua h ALA 95 Cb 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kua h ALA 95 CO -0.00 -0.36 -0.49 0.35 0.00 0.00 0.00 179.25 178.74 2kua h PHE 96 N 0.15 -1.36 -0.88 0.00 3.57 -1.25 -1.68 116.94 115.49 2kua h PHE 96 Ca 0.13 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.81 2kua h PHE 96 Cb 0.14 0.52 -0.17 0.00 2.79 0.00 0.00 35.95 39.23 2kua h PHE 96 CO -0.17 -0.68 -0.22 0.00 -2.23 0.00 0.00 178.31 175.01 2kua h ALA 97 N -1.00 0.58 0.00 2.41 0.00 -1.24 1.30 119.26 121.30 2kua h ALA 97 Ca -0.07 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2kua h ALA 97 Cb 0.88 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2kua h ALA 97 CO -0.02 -0.40 -0.11 0.78 0.00 0.00 0.00 179.25 179.51 2kua h GLY 98 N -0.00 0.00 2.00 0.00 0.00 -1.13 -1.84 103.07 102.11 2kua h GLY 98 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.62 2kua h GLY 98 CO -0.91 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 174.99 2kua h THR 99 N 0.00 1.20 0.15 4.70 1.03 0.26 -3.25 112.91 117.00 2kua h THR 99 Ca -0.00 -2.39 -0.30 0.00 -0.01 0.00 0.00 66.41 63.71 2kua h THR 99 Cb 0.27 2.39 0.01 0.00 -1.07 0.00 0.00 68.15 69.75 2kua h THR 99 CO 0.01 0.62 -1.38 -0.07 -0.01 0.00 0.00 175.52 174.70 2kua h LEU 100 N 0.00 0.49 -6.19 0.00 3.38 -0.44 -3.42 115.31 109.13 2kua h LEU 100 Ca -0.01 -0.57 -0.47 0.00 0.09 0.00 0.00 57.88 56.93 2kua h LEU 100 Cb 1.34 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2kua h LEU 100 CO 0.08 1.45 1.23 0.80 0.09 0.00 0.00 178.44 182.09 2kua n MET 101 N -3.54 0.00 -3.89 1.13 1.56 -0.81 -4.88 117.12 106.69 2kua n MET 101 Ca -0.13 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.10 2kua n MET 101 Cb 1.05 -1.16 -0.03 0.00 2.15 0.00 0.00 33.22 35.23 2kua n MET 101 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2kua s ASN 102 N 6.06 5.88 0.35 6.12 4.22 -1.26 -4.73 114.94 131.57 2kua s ASN 102 Ca 1.00 -0.15 0.05 0.00 -2.14 0.00 0.00 52.86 51.62 2kua s ASN 102 Cb -1.05 -1.48 -0.02 0.00 1.28 0.00 0.00 41.25 39.98 2kua s ASN 102 CO 0.43 -0.17 0.17 0.00 -2.04 0.00 0.00 177.10 175.49 2kua n GLN 103 N -1.38 0.53 0.00 3.55 1.13 -1.26 -4.25 117.38 115.69 2kua n GLN 103 Ca -0.06 -3.08 0.00 0.00 -1.94 0.00 0.00 57.00 51.92 2kua n GLN 103 Cb 0.58 1.95 0.00 0.00 0.11 0.00 0.00 30.24 32.88 2kua n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kua n GLY 104 N -0.53 -1.69 0.00 1.08 0.00 -1.26 -5.04 105.19 97.74 2kua n GLY 104 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 0.60 0.00 1.61 -0.04 -1.26 -4.67 135.00 131.25 2kua n PRO 105 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2kua n PRO 105 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.90 0.00 -1.15 0.54 9.36 -1.26 -4.91 117.16 118.84 2kua n TYR 106 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 2kua n TYR 106 Cb 0.00 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.54 2kua n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kua n MET 107 N -0.97 0.00 0.00 2.98 0.00 -1.26 -4.80 117.12 113.06 2kua n MET 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2kua n MET 107 Cb 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 33.22 32.49 2kua n MET 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua n ALA 108 N 4.53 0.00 -1.00 3.17 0.00 -1.26 -5.09 120.51 120.86 2kua n ALA 108 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2kua n ALA 108 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.10 0.00 3.14 -1.26 -4.40 118.33 113.71 2kua n VAL 109 Ca 0.00 0.55 -0.31 0.00 -2.96 0.00 0.00 64.34 61.63 2kua n VAL 109 Cb 0.00 -1.29 -0.04 0.00 -1.06 0.00 0.00 33.84 31.45 2kua n VAL 109 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2kua s LYS 110 N -0.37 2.66 -0.03 1.45 2.20 -1.26 -4.92 119.74 119.47 2kua s LYS 110 Ca 0.00 -0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2kua s LYS 110 Cb 0.00 -4.92 0.02 0.00 -1.51 0.00 0.00 37.83 31.42 2kua s LYS 110 CO 0.00 -3.12 -0.04 -0.65 -0.36 0.00 0.00 175.35 171.18 2kua s GLN 111 N 6.84 0.63 0.00 4.03 -1.52 -1.26 -5.09 119.66 123.29 2kua s GLN 111 Ca 0.67 -0.08 0.00 0.00 -1.95 0.00 0.00 55.36 54.00 2kua s GLN 111 Cb -0.08 -0.67 0.00 0.00 -0.22 0.00 0.00 33.01 32.04 2kua s GLN 111 CO 0.04 -0.06 0.54 1.63 -0.25 0.00 0.00 175.29 177.19 2kua n LYS 112 N 3.86 0.00 -1.67 2.91 4.76 -1.26 -4.87 118.16 121.89 2kua n LYS 112 Ca -0.24 0.19 -0.25 0.00 -2.87 0.00 0.00 58.31 55.14 2kua n LYS 112 Cb 0.52 -1.08 0.17 0.00 -1.84 0.00 0.00 35.03 32.80 2kua n LYS 112 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kua n ARG 113 N -1.07 -1.04 0.00 1.97 5.12 -1.26 -5.04 116.66 115.34 2kua n ARG 113 Ca 0.00 -1.80 0.00 0.00 -1.93 0.00 0.00 57.85 54.12 2kua n ARG 113 Cb 0.00 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 2kua n ARG 113 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2kua n ASP 114 N -3.68 3.37 0.10 0.55 5.68 -1.26 -4.69 116.55 116.62 2kua n ASP 114 Ca 0.14 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.49 2kua n ASP 114 Cb 0.50 0.37 0.31 0.00 -1.14 0.00 0.00 41.12 41.15 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kua n LEU 115 N -1.46 0.29 -3.59 -2.12 -0.00 -1.26 -4.73 117.00 104.13 2kua n LEU 115 Ca 0.00 0.57 -0.51 0.00 -0.00 0.00 0.00 56.01 56.07 2kua n LEU 115 Cb 0.30 -0.58 -0.09 0.00 -0.00 0.00 0.00 43.42 43.05 2kua n LEU 115 CO 0.00 -0.67 1.22 0.61 -0.00 0.00 0.00 177.39 178.55 2kua n GLY 116 N -1.33 -0.02 2.79 1.47 0.00 -1.26 -4.91 105.19 101.93 2kua n GLY 116 Ca -0.01 0.87 -0.16 0.00 0.00 0.00 0.00 46.02 46.73 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 3.93 0.23 0.87 1.61 2.47 -1.26 -4.65 114.94 118.14 2kua s ASN 117 Ca 0.92 0.12 -0.11 0.00 0.42 0.00 0.00 52.86 54.21 2kua s ASN 117 Cb -1.21 -0.01 0.11 0.00 -1.45 0.00 0.00 41.25 38.69 2kua s ASN 117 CO 0.58 -0.16 1.09 -0.13 -3.72 0.00 0.00 177.10 174.77 2kua s ARG 118 N 1.33 1.45 0.18 0.43 1.81 -1.26 -4.93 118.95 117.96 2kua s ARG 118 Ca -0.06 0.87 0.24 0.00 -1.72 0.00 0.00 55.73 55.06 2kua s ARG 118 Cb -0.13 -1.83 0.91 0.00 -0.45 0.00 0.00 34.95 33.46 2kua s ARG 118 CO -0.04 -2.12 1.74 1.55 -0.68 0.00 0.00 175.30 175.75 2kua n VAL 119 N -3.81 0.65 0.17 3.52 3.14 -1.26 -3.40 118.33 117.33 2kua n VAL 119 Ca 0.07 -0.01 0.17 0.00 -2.96 0.00 0.00 64.34 61.61 2kua n VAL 119 Cb 0.55 -0.82 0.63 0.00 -1.06 0.00 0.00 33.84 33.14 2kua n VAL 119 CO 0.00 0.00 0.00 0.16 -6.46 0.00 0.00 176.83 170.53 2kua h ILE 120 N 0.00 0.14 0.07 1.55 -2.65 -1.91 0.44 117.51 115.15 2kua h ILE 120 Ca 0.00 0.00 -0.00 0.00 1.03 0.00 0.00 64.86 65.89 2kua h ILE 120 Cb 0.53 0.48 0.00 0.00 -2.05 0.00 0.00 36.82 35.77 2kua h ILE 120 CO 0.00 0.00 -0.03 1.62 0.03 0.00 0.00 178.15 179.77 2kua h VAL 121 N 0.00 1.04 -0.16 0.16 3.04 -1.73 -2.80 116.25 115.80 2kua h VAL 121 Ca 0.14 -1.52 -0.10 0.00 -1.01 0.00 0.00 66.70 64.22 2kua h VAL 121 Cb 1.32 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.46 2kua h VAL 121 CO -0.00 0.31 -0.29 0.00 -1.01 0.00 0.00 177.57 176.58 2kua h THR 122 N -0.91 1.36 -0.15 3.17 1.03 -1.31 -0.91 112.91 115.18 2kua h THR 122 Ca -0.01 -1.54 0.04 0.00 -0.01 0.00 0.00 66.41 64.89 2kua h THR 122 Cb 0.58 1.96 -0.04 0.00 -1.07 0.00 0.00 68.15 69.58 2kua h THR 122 CO 0.02 0.46 -0.11 0.08 -0.01 0.00 0.00 175.52 175.96 2kua h ARG 123 N 0.10 -0.11 0.00 0.00 0.11 -0.36 0.26 114.38 114.37 2kua h ARG 123 Ca 0.01 0.01 -0.09 0.00 0.10 0.00 0.00 59.98 60.01 2kua h ARG 123 Cb 0.88 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 2kua h ARG 123 CO 0.07 -0.08 -0.42 -0.44 0.10 0.00 0.00 179.97 179.20 2kua h ASP 124 N -0.12 0.00 -0.24 0.08 3.32 -1.55 -2.92 116.42 115.00 2kua h ASP 124 Ca 0.09 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 2kua h ASP 124 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2kua h ASP 124 CO -0.22 0.42 -0.55 0.00 -1.72 0.00 0.00 179.24 177.18 2kua h LEU 127 N 0.93 0.22 -0.35 0.00 3.38 -1.50 -0.09 115.31 117.89 2kua h LEU 127 Ca 0.18 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.42 2kua h LEU 127 Cb 0.45 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2kua h LEU 127 CO 0.02 0.93 0.22 -0.29 0.09 0.00 0.00 178.44 179.41 2kua h ILE 128 N -0.47 1.06 -0.01 1.22 2.10 -0.86 -2.49 117.51 118.06 2kua h ILE 128 Ca -0.02 -0.15 -0.15 0.00 1.08 0.00 0.00 64.86 65.62 2kua h ILE 128 Cb 0.96 0.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.24 2kua h ILE 128 CO 0.05 0.08 -0.67 0.58 -1.08 0.00 0.00 178.15 177.10 2kua h VAL 129 N 0.45 1.46 -0.36 2.19 2.07 -0.99 -3.04 116.25 118.03 2kua h VAL 129 Ca 0.14 -2.26 0.07 0.00 0.82 0.00 0.00 66.70 65.47 2kua h VAL 129 Cb -0.02 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 2kua h VAL 129 CO -0.05 0.65 -0.03 -1.13 0.02 0.00 0.00 177.57 177.03 2kua h ASN 130 N 0.05 -0.21 0.22 0.57 -1.24 -0.55 1.00 115.58 115.41 2kua h ASN 130 Ca -0.01 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2kua h ASN 130 Cb 1.20 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2kua h ASN 130 CO 0.09 -0.07 -0.11 0.15 -1.29 0.00 0.00 177.43 176.21 2kua h PHE 131 N 0.06 -0.27 0.45 0.67 3.04 -1.53 -2.90 116.94 116.47 2kua h PHE 131 Ca 0.17 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 2kua h PHE 131 Cb 0.25 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 2kua h PHE 131 CO -0.27 0.08 -0.33 -0.07 -2.02 0.00 0.00 178.31 175.69 2kua h LEU 132 N -0.67 -0.87 -0.84 0.59 4.07 -1.39 0.22 115.31 116.41 2kua h LEU 132 Ca -0.03 0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.09 2kua h LEU 132 Cb 0.47 0.27 -0.12 0.00 1.08 0.00 0.00 40.66 42.36 2kua h LEU 132 CO 0.05 -0.50 -0.52 0.22 -1.08 0.00 0.00 178.44 176.61 2kua h TYR 133 N -0.77 -1.60 0.00 1.13 5.03 0.96 0.74 116.97 122.45 2kua h TYR 133 Ca -0.05 0.11 -0.06 0.00 2.58 0.00 0.00 58.73 61.32 2kua h TYR 133 Cb 0.66 0.81 -0.01 0.00 1.55 0.00 0.00 36.73 39.74 2kua h TYR 133 CO -0.14 -0.40 -0.27 -2.95 -1.32 0.00 0.00 178.16 173.08 2kua h ASN 134 N -0.09 0.00 -0.43 -2.11 -1.07 -1.39 0.89 115.58 111.37 2kua h ASN 134 Ca 0.19 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.60 2kua h ASN 134 Cb 0.50 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.71 2kua h ASN 134 CO -0.86 0.27 0.19 0.25 0.07 0.00 0.00 177.43 177.35 2kua h LEU 135 N 0.00 0.25 0.00 6.14 7.12 0.38 -1.65 115.31 127.55 2kua h LEU 135 Ca -0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2kua h LEU 135 Cb 0.54 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 2kua h LEU 135 CO 0.03 0.18 -1.86 0.00 -0.13 0.00 0.00 178.44 176.66 2kua n LEU 136 N -4.95 0.12 -1.60 2.25 -0.00 -0.58 -4.23 117.00 108.01 2kua n LEU 136 Ca 0.03 -0.06 -0.04 0.00 -0.00 0.00 0.00 56.01 55.93 2kua n LEU 136 Cb 0.13 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 43.76 2kua n LEU 136 CO 0.28 0.03 0.82 0.80 -0.00 0.00 0.00 177.39 179.32 2kua n MET 137 N -2.16 2.84 -2.31 1.47 1.56 0.31 -1.53 117.12 117.29 2kua n MET 137 Ca -0.03 -2.05 -0.25 0.00 -0.27 0.00 0.00 57.70 55.09 2kua n MET 137 Cb 0.53 -1.91 0.05 0.00 2.15 0.00 0.00 33.22 34.04 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 -0.52 1.68 0.10 -5.12 0.00 -0.63 -4.71 107.32 98.13 2kua s GLY 138 Ca 0.37 -0.92 -0.24 0.00 0.00 0.00 0.00 44.72 43.93 2kua s GLY 138 CO 0.09 -0.56 1.69 3.21 0.00 0.00 0.00 173.10 177.53 2kua h ARG 139 N -0.40 -0.21 0.07 2.90 3.08 -1.92 0.77 114.38 118.66 2kua h ARG 139 Ca -0.44 0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.39 2kua h ARG 139 Cb 1.30 0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.42 2kua h ARG 139 CO 0.59 -0.14 -0.93 0.07 -1.07 0.00 0.00 179.97 178.50 2kua h ARG 140 N -0.22 0.51 0.75 0.04 0.11 -1.95 -2.79 114.38 110.84 2kua h ARG 140 Ca 0.03 -0.64 -0.04 0.00 0.10 0.00 0.00 59.98 59.43 2kua h ARG 140 Cb 0.24 0.20 0.01 0.00 1.11 0.00 0.00 29.97 31.53 2kua h ARG 140 CO -0.08 1.26 -0.36 0.45 0.10 0.00 0.00 179.97 181.34 2kua h HIS 141 N 0.05 -0.93 -0.43 4.08 3.86 -1.78 -2.43 115.15 117.57 2kua h HIS 141 Ca -0.13 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2kua h HIS 141 Cb 1.64 0.31 -0.08 0.00 1.06 0.00 0.00 27.41 30.33 2kua h HIS 141 CO 0.14 -0.58 -0.13 -0.09 0.86 0.00 0.00 177.93 178.13 2kua h ARG 142 N -1.14 -0.03 -0.93 2.45 1.12 0.16 0.29 114.38 116.29 2kua h ARG 142 Ca -0.10 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 58.97 2kua h ARG 142 Cb 0.77 0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 30.62 2kua h ARG 142 CO 0.17 -0.02 0.50 0.00 -3.11 0.00 0.00 179.97 177.50 2kua h ALA 143 N 1.36 1.53 0.03 2.80 0.00 -1.51 0.46 119.26 123.95 2kua h ALA 143 Ca 0.21 0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.98 2kua h ALA 143 Cb 0.35 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kua h ALA 143 CO -0.46 -0.21 -1.05 0.00 0.00 0.00 0.00 179.25 177.54 2kua h ARG 144 N 0.57 0.50 -0.65 0.00 2.47 -0.55 -0.75 114.38 115.98 2kua h ARG 144 Ca 0.56 -0.58 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2kua h ARG 144 Cb 0.97 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 29.43 2kua h ARG 144 CO -0.45 1.21 0.41 1.25 0.56 0.00 0.00 179.97 182.95 2kua h LEU 145 N 0.26 0.68 0.13 3.04 7.12 0.15 -2.78 115.31 123.90 2kua h LEU 145 Ca -0.11 -0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.61 2kua h LEU 145 Cb 1.70 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.68 2kua h LEU 145 CO 0.19 0.48 -1.32 1.05 -0.13 0.00 0.00 178.44 178.70 2kua h GLU 146 N 0.81 0.27 0.00 1.25 4.11 -1.08 -1.90 114.58 118.04 2kua h GLU 146 Ca 0.25 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2kua h GLU 146 Cb -0.01 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kua h GLU 146 CO -0.09 1.20 0.26 0.00 0.07 0.00 0.00 179.01 180.45 2kua h ALA 147 N 0.55 1.18 -0.35 1.06 0.00 -0.85 0.70 119.26 121.55 2kua h ALA 147 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2kua h ALA 147 Cb 1.99 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.71 2kua h ALA 147 CO 0.20 -0.18 0.00 1.47 0.00 0.00 0.00 179.25 180.74 2kua n LEU 148 N -2.12 4.19 0.00 0.00 -0.00 -1.14 -4.89 117.00 113.04 2kua n LEU 148 Ca -0.01 -3.42 0.00 0.00 -0.00 0.00 0.00 56.01 52.58 2kua n LEU 148 Cb 0.28 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 2kua n LEU 148 CO 0.07 0.98 0.00 0.61 -0.00 0.00 0.00 177.39 179.05 2kua n GLY 149 N -0.85 0.72 5.84 1.47 0.00 0.24 -4.46 105.19 108.15 2kua n GLY 149 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.10 -0.49 0.54 -0.02 0.00 -0.72 -1.00 105.19 101.40 2kua n GLY 150 Ca 0.00 -0.46 0.29 0.00 0.00 0.00 0.00 46.02 45.85 2kua n GLY 150 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2kua h TRP 151 N -0.11 0.00 -0.19 1.61 4.06 -1.94 0.90 115.95 120.28 2kua h TRP 151 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2kua h TRP 151 Cb 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 2kua h TRP 151 CO 0.00 0.00 0.08 -0.44 -3.56 0.00 0.00 178.44 174.52 2kua h ASP 152 N 0.00 0.26 0.47 -3.49 3.32 -1.79 -1.74 116.42 113.46 2kua h ASP 152 Ca 0.51 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 2kua h ASP 152 Cb 2.96 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 42.42 2kua h ASP 152 CO -0.01 0.35 -0.49 1.23 -1.72 0.00 0.00 179.24 178.61 2kua h GLY 153 N 0.16 0.02 0.65 2.75 0.00 0.26 -2.93 103.07 103.98 2kua h GLY 153 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2kua h GLY 153 CO -0.01 0.02 -0.23 -2.75 0.00 0.00 0.00 176.54 173.57 2kua h PHE 154 N 0.01 -0.59 -0.94 5.60 3.57 -1.29 0.51 116.94 123.82 2kua h PHE 154 Ca -0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.65 2kua h PHE 154 Cb 0.87 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.70 2kua h PHE 154 CO 0.00 -0.27 0.53 0.00 -2.23 0.00 0.00 178.31 176.34 2kua h ARG 156 N 0.71 0.00 -0.28 0.00 1.12 -1.49 -0.47 114.38 113.96 2kua h ARG 156 Ca 0.53 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 59.28 2kua h ARG 156 Cb 0.78 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.74 2kua h ARG 156 CO -0.38 0.65 -0.28 0.35 -3.11 0.00 0.00 179.97 177.21 2kua h PHE 157 N 0.00 0.82 0.00 2.20 3.04 0.27 -3.16 116.94 120.11 2kua h PHE 157 Ca -0.01 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.70 2kua h PHE 157 Cb 1.48 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2kua h PHE 157 CO 0.00 0.98 -0.79 0.74 -2.02 0.00 0.00 178.31 177.23 2kua h PHE 158 N 0.41 0.00 -4.79 0.41 -1.00 -0.95 -3.49 116.94 107.53 2kua h PHE 158 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2kua h PHE 158 Cb 0.85 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2kua h PHE 158 CO 0.07 0.00 -0.32 1.63 -1.61 0.00 0.00 178.31 178.09 2kua n LYS 159 N -2.26 -1.70 -1.46 1.51 4.01 -0.23 -4.92 118.16 113.10 2kua n LYS 159 Ca 0.02 1.68 -0.38 0.00 -0.51 0.00 0.00 58.31 59.12 2kua n LYS 159 Cb 0.47 -4.78 0.04 0.00 -0.51 0.00 0.00 35.03 30.25 2kua n LYS 159 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2kua n ASN 160 N -0.58 -1.13 -0.04 4.39 2.85 -0.92 -4.92 115.26 114.91 2kua n ASN 160 Ca 0.08 0.73 -0.13 0.00 -0.11 0.00 0.00 54.58 55.15 2kua n ASN 160 Cb 0.39 -1.16 -0.08 0.00 1.24 0.00 0.00 39.78 40.16 2kua n ASN 160 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2kua h PRO 161 N 0.22 0.20 -7.21 1.20 0.13 -1.91 -3.45 132.00 121.17 2kua h PRO 161 Ca -0.45 -0.11 -0.52 0.00 -0.87 0.00 0.00 66.00 64.05 2kua h PRO 161 Cb 1.40 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.74 2kua h PRO 161 CO 0.47 0.63 0.13 1.28 -0.23 0.00 0.00 178.00 180.28 2kua n LEU 162 N -4.68 2.81 -0.08 1.56 7.99 -1.26 -4.95 117.00 118.39 2kua n LEU 162 Ca -0.07 0.39 -0.13 0.00 -0.01 0.00 0.00 56.01 56.19 2kua n LEU 162 Cb 0.31 -1.44 -0.05 0.00 -0.11 0.00 0.00 43.42 42.13 2kua n LEU 162 CO 0.37 -2.35 0.58 1.55 -1.51 0.00 0.00 177.39 176.03 2kua h PRO 163 N -1.90 0.59 -6.39 3.23 0.13 -2.03 -3.45 132.00 122.18 2kua h PRO 163 Ca -0.44 -0.31 -0.41 0.00 -0.87 0.00 0.00 66.00 63.97 2kua h PRO 163 Cb 1.27 0.01 0.22 0.00 0.13 0.00 0.00 31.00 32.63 2kua h PRO 163 CO 0.40 0.90 -1.31 1.28 -0.23 0.00 0.00 178.00 179.05 2kua n LEU 164 N -4.36 -2.33 0.00 1.56 4.32 -1.26 -5.12 117.00 109.81 2kua n LEU 164 Ca -0.05 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 2kua n LEU 164 Cb 0.43 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 2kua n LEU 164 CO 0.43 -2.95 0.00 0.61 -1.22 0.00 0.00 177.39 174.26