#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kua h PRO -4 N 0.00 0.00 0.00 1.61 0.13 -2.06 -3.21 132.00 128.48 2kua h PRO -4 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kua h PRO -4 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kua h PRO -4 CO 0.00 0.01 -0.41 1.28 -0.23 0.00 0.00 178.00 178.65 2kua n LEU -3 N -3.10 0.00 0.00 1.56 7.99 -1.26 -5.14 117.00 117.05 2kua n LEU -3 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 56.01 55.78 2kua n LEU -3 Cb 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 2kua n LEU -3 CO 0.27 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.76 2kua n GLY -2 N 1.47 -0.28 3.61 -0.72 0.00 -1.21 -4.99 105.19 103.06 2kua n GLY -2 Ca 0.00 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 2kua n GLY -2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kua s SER 0 N -2.45 6.48 -0.18 1.61 0.15 -1.26 -4.23 113.70 113.81 2kua s SER 0 Ca 0.00 0.46 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 2kua s SER 0 Cb 0.00 -2.31 -0.21 0.00 -1.71 0.00 0.00 66.02 61.79 2kua s SER 0 CO 0.00 -0.41 0.22 0.80 1.20 0.00 0.00 173.24 175.05 2kua n MET 1 N 5.75 0.64 -2.46 5.44 0.00 -1.26 -4.97 117.12 120.25 2kua n MET 1 Ca -0.02 0.43 -0.25 0.00 0.00 0.00 0.00 57.70 57.87 2kua n MET 1 Cb 0.49 -1.71 0.11 0.00 0.00 0.00 0.00 33.22 32.11 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 -2.45 3.45 -0.06 -5.12 0.00 -1.26 -5.04 121.76 111.29 2kua s ALA 2 Ca -0.27 -1.57 -0.09 0.00 0.00 0.00 0.00 51.96 50.03 2kua s ALA 2 Cb 0.07 -2.17 -0.30 0.00 0.00 0.00 0.00 23.12 20.72 2kua s ALA 2 CO 0.65 -1.55 0.62 -0.44 0.00 0.00 0.00 175.76 175.04 2kua h ASP 3 N -0.66 0.55 -0.05 0.00 5.19 -2.04 -3.31 116.42 116.10 2kua h ASP 3 Ca -0.38 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.13 2kua h ASP 3 Cb 1.27 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2kua h ASP 3 CO 0.42 1.77 0.00 -1.20 -3.12 0.00 0.00 179.24 177.11 2kua n SER 4 N -3.55 0.79 -3.51 6.45 7.64 -1.26 -4.49 113.62 115.69 2kua n SER 4 Ca -0.25 -2.03 -0.40 0.00 1.01 0.00 0.00 58.87 57.19 2kua n SER 4 Cb 1.07 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.99 2kua n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kua n GLN 5 N -0.16 3.80 -0.79 1.43 1.13 -1.25 -4.98 117.38 116.56 2kua n GLN 5 Ca 0.02 -2.81 -0.33 0.00 -1.94 0.00 0.00 57.00 51.94 2kua n GLN 5 Cb 0.18 -2.86 0.12 0.00 0.11 0.00 0.00 30.24 27.79 2kua n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kua n ASP 6 N 3.54 -1.90 0.00 1.08 8.00 -1.26 -4.89 116.55 121.12 2kua n ASP 6 Ca 0.64 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2kua n ASP 6 Cb 0.28 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2kua n ASP 6 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kua n PRO 7 N -1.88 0.00 -0.07 -0.24 -0.04 -1.26 -4.72 135.00 126.78 2kua n PRO 7 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2kua n PRO 7 Cb 0.53 -0.23 0.08 0.00 -0.04 0.00 0.00 33.50 33.84 2kua n PRO 7 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kua n LEU 8 N 0.00 2.24 0.00 1.53 -0.00 -1.26 -4.72 117.00 114.79 2kua n LEU 8 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 56.01 54.43 2kua n LEU 8 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 2kua n LEU 8 CO 0.00 0.53 0.25 1.57 -0.00 0.00 0.00 177.39 179.74 2kua n HIS 9 N 0.32 0.00 0.22 1.47 -0.00 -1.26 0.58 115.22 116.55 2kua n HIS 9 Ca 0.07 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.37 2kua n HIS 9 Cb 0.30 -0.01 0.62 0.00 -0.12 0.00 0.00 29.99 30.78 2kua n HIS 9 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 2kua h GLU 10 N 0.00 0.00 -0.17 1.57 4.57 -1.92 -1.74 114.58 116.90 2kua h GLU 10 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 2kua h GLU 10 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2kua h GLU 10 CO 0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 179.01 177.14 2kua h ARG 11 N 0.00 0.69 0.08 1.92 3.08 -1.26 -2.64 114.38 116.25 2kua h ARG 11 Ca 0.00 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 2kua h ARG 11 Cb 0.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kua h ARG 11 CO 0.00 1.13 -0.04 1.15 -1.07 0.00 0.00 179.97 181.14 2kua h THR 12 N 0.49 1.08 -0.33 2.04 2.02 0.11 -2.25 112.91 116.07 2kua h THR 12 Ca -0.02 -1.42 0.07 0.00 0.77 0.00 0.00 66.41 65.81 2kua h THR 12 Cb 1.29 1.89 -0.08 0.00 -1.74 0.00 0.00 68.15 69.50 2kua h THR 12 CO 0.14 0.31 -0.22 -0.09 0.37 0.00 0.00 175.52 176.03 2kua h ARG 13 N -0.86 -0.17 -0.42 6.66 9.65 -1.63 0.26 114.38 127.86 2kua h ARG 13 Ca -0.01 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kua h ARG 13 Cb 0.59 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 2kua h ARG 13 CO 0.02 -0.12 0.25 0.07 2.80 0.00 0.00 179.97 183.00 2kua h ARG 14 N -0.18 0.57 -0.47 0.20 -0.00 -1.59 0.11 114.38 113.03 2kua h ARG 14 Ca 0.17 -0.05 0.03 0.00 -0.00 0.00 0.00 59.98 60.12 2kua h ARG 14 Cb 0.44 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.97 30.25 2kua h ARG 14 CO -0.43 0.42 0.26 1.25 -0.00 0.00 0.00 179.97 181.47 2kua h LEU 15 N 0.56 0.41 -0.08 0.08 5.85 -0.69 0.34 115.31 121.78 2kua h LEU 15 Ca 0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2kua h LEU 15 Cb -0.00 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2kua h LEU 15 CO -0.03 0.29 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.29 2kua h LEU 16 N 0.52 0.14 -1.12 2.25 4.07 -0.26 -2.89 115.31 118.02 2kua h LEU 16 Ca 0.19 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2kua h LEU 16 Cb 0.05 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 2kua h LEU 16 CO -0.11 0.43 0.46 -1.28 -1.08 0.00 0.00 178.44 176.86 2kua h SER 17 N -0.15 0.94 -0.37 -0.43 0.87 -0.56 -2.62 113.55 111.22 2kua h SER 17 Ca 0.02 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2kua h SER 17 Cb 0.36 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2kua h SER 17 CO 0.00 0.73 0.11 -0.78 -0.53 0.00 0.00 176.83 176.37 2kua h ASP 18 N 1.08 0.09 -0.74 6.23 3.58 -0.23 -2.15 116.42 124.29 2kua h ASP 18 Ca 0.28 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.83 2kua h ASP 18 Cb -0.03 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 2kua h ASP 18 CO -0.05 0.09 0.44 0.22 -2.88 0.00 0.00 179.24 177.06 2kua h TYR 19 N 0.25 0.82 -0.71 0.28 3.20 -1.26 -2.14 116.97 117.40 2kua h TYR 19 Ca 0.17 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.21 2kua h TYR 19 Cb 0.17 -0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.08 2kua h TYR 19 CO -0.16 0.42 0.24 0.82 -1.64 0.00 0.00 178.16 177.84 2kua h ILE 20 N 0.82 0.63 -0.45 1.81 1.08 -1.20 -0.90 117.51 119.29 2kua h ILE 20 Ca 0.32 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 2kua h ILE 20 Cb 0.14 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 2kua h ILE 20 CO -0.16 0.07 0.23 -0.26 -0.69 0.00 0.00 178.15 177.34 2kua h PHE 21 N 0.37 0.64 -0.42 1.37 -1.00 -1.20 -1.64 116.94 115.06 2kua h PHE 21 Ca 0.39 -0.02 0.12 0.00 2.81 0.00 0.00 57.97 61.26 2kua h PHE 21 Cb 0.61 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 2kua h PHE 21 CO -0.20 0.50 0.30 0.35 -1.61 0.00 0.00 178.31 177.65 2kua h PHE 22 N 0.59 0.03 0.00 -0.55 3.04 -0.89 0.29 116.94 119.46 2kua h PHE 22 Ca 0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2kua h PHE 22 Cb 0.09 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2kua h PHE 22 CO -0.01 0.02 -0.54 0.00 -2.02 0.00 0.00 178.31 175.75 2kua n ALA 24 N -1.73 2.59 -3.50 0.00 0.00 0.10 -4.70 120.51 113.28 2kua n ALA 24 Ca 0.04 -0.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 2kua n ALA 24 Cb 0.41 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.38 2.74 0.70 0.00 1.81 -1.24 -5.06 118.95 116.52 2kua s ARG 25 Ca 0.05 -1.07 -0.17 0.00 -1.72 0.00 0.00 55.73 52.83 2kua s ARG 25 Cb 0.03 -3.21 -0.14 0.00 -0.45 0.00 0.00 34.95 31.19 2kua s ARG 25 CO 0.02 -0.52 -0.42 0.39 -0.68 0.00 0.00 175.30 174.10 2kua n GLU 26 N 4.72 0.00 0.00 3.54 -0.58 -1.26 -4.77 120.64 122.29 2kua n GLU 26 Ca -0.14 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2kua n GLU 26 Cb 0.46 -0.95 0.33 0.00 -0.57 0.00 0.00 31.44 30.70 2kua n GLU 26 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2kua n PRO 27 N 1.87 0.08 -0.13 3.49 -0.04 -1.26 -2.04 135.00 136.97 2kua n PRO 27 Ca 0.03 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2kua n PRO 27 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.42 2.16 -3.82 3.54 9.92 -1.26 -4.86 116.55 120.81 2kua n ASP 28 Ca 0.05 -1.83 -0.12 0.00 -0.53 0.00 0.00 54.79 52.36 2kua n ASP 28 Cb 0.15 -0.17 -0.12 0.00 -0.64 0.00 0.00 41.12 40.34 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kua s THR 29 N -1.66 0.01 0.27 -3.53 -1.32 -0.86 -5.15 115.64 103.40 2kua s THR 29 Ca 0.33 -0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 2kua s THR 29 Cb 0.18 -0.26 -0.09 0.00 -1.51 0.00 0.00 72.50 70.81 2kua s THR 29 CO 0.26 -0.03 1.26 -2.16 -2.21 0.00 0.00 174.62 171.73 2kua s PRO 30 N -0.03 4.44 0.63 7.08 0.04 -1.26 -4.63 135.00 141.27 2kua s PRO 30 Ca -0.01 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 2kua s PRO 30 Cb -0.02 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 2kua s PRO 30 CO 0.00 -0.11 1.05 -1.21 0.04 0.00 0.00 177.00 176.77 2kua s GLU 31 N -1.06 3.19 1.02 4.56 8.01 -1.26 -5.05 118.70 128.11 2kua s GLU 31 Ca 0.51 1.09 -0.13 0.00 0.01 0.00 0.00 54.97 56.45 2kua s GLU 31 Cb -0.37 -2.02 0.20 0.00 -4.31 0.00 0.00 34.13 27.63 2kua s GLU 31 CO 0.44 -0.90 1.09 -1.25 0.01 0.00 0.00 175.26 174.65 2kua s PRO 32 N -4.47 0.27 1.02 0.39 0.04 -1.26 -5.04 135.00 125.95 2kua s PRO 32 Ca 0.61 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 2kua s PRO 32 Cb -0.15 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.87 2kua s PRO 32 CO 0.44 -2.83 1.09 -1.25 0.04 0.00 0.00 177.00 174.49 2kua s PRO 33 N -4.97 0.24 0.00 0.56 0.04 -1.26 -4.98 135.00 124.64 2kua s PRO 33 Ca 0.66 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2kua s PRO 33 Cb -0.19 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2kua s PRO 33 CO 0.58 -2.85 0.00 -0.35 0.04 0.00 0.00 177.00 174.42 2kua n PRO 34 N -4.25 -0.53 0.03 0.56 -0.04 -1.26 -5.05 135.00 124.47 2kua n PRO 34 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kua n PRO 34 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.02 0.16 -4.43 0.52 5.66 -1.26 -5.04 114.28 107.87 2kua n THR 35 Ca 0.00 0.05 -0.19 0.00 -3.05 0.00 0.00 64.05 60.86 2kua n THR 35 Cb 0.00 -0.93 -0.05 0.00 -1.55 0.00 0.00 70.33 67.80 2kua n THR 35 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kua n SER 36 N -2.96 2.24 -0.01 1.09 7.64 -1.26 -5.01 113.62 115.34 2kua n SER 36 Ca 0.00 -2.44 -0.12 0.00 1.01 0.00 0.00 58.87 57.32 2kua n SER 36 Cb 0.14 0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2kua n SER 36 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kua h VAL 37 N 1.27 1.20 0.00 0.44 2.07 -2.00 -1.75 116.25 117.48 2kua h VAL 37 Ca -0.25 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2kua h VAL 37 Cb 0.82 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2kua h VAL 37 CO 0.41 0.17 -0.27 1.05 0.02 0.00 0.00 177.57 178.94 2kua h GLU 38 N -0.10 0.00 0.00 1.57 9.09 -1.97 -2.29 114.58 120.88 2kua h GLU 38 Ca 0.02 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.31 2kua h GLU 38 Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2kua h GLU 38 CO 0.00 0.27 -0.58 0.00 0.05 0.00 0.00 179.01 178.76 2kua h ALA 39 N 1.73 0.95 -0.04 1.06 0.00 -1.86 -2.71 119.26 118.39 2kua h ALA 39 Ca -0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.15 2kua h ALA 39 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kua h ALA 39 CO 0.04 0.72 -0.92 0.00 0.00 0.00 0.00 179.25 179.08 2kua h ALA 40 N 1.42 0.31 -0.32 0.00 0.00 -0.76 -2.99 119.26 116.92 2kua h ALA 40 Ca -0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2kua h ALA 40 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kua h ALA 40 CO 0.07 0.75 -0.07 1.25 0.00 0.00 0.00 179.25 181.25 2kua h LEU 41 N 0.34 0.63 0.53 0.00 6.46 -1.44 -2.85 115.31 118.98 2kua h LEU 41 Ca -0.09 -0.36 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2kua h LEU 41 Cb 1.55 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 2kua h LEU 41 CO 0.17 0.84 -0.38 -0.07 -0.62 0.00 0.00 178.44 178.39 2kua h LEU 42 N 0.40 -0.97 -1.94 2.25 -0.00 -1.55 0.38 115.31 113.88 2kua h LEU 42 Ca 0.08 0.07 0.11 0.00 -0.00 0.00 0.00 57.88 58.14 2kua h LEU 42 Cb 0.57 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.51 2kua h LEU 42 CO 0.03 -0.57 0.46 0.08 -0.00 0.00 0.00 178.44 178.45 2kua h ARG 43 N -0.88 0.00 0.10 1.13 -0.00 -1.57 3.44 114.38 116.60 2kua h ARG 43 Ca -0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.68 2kua h ARG 43 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.70 2kua h ARG 43 CO 0.03 0.00 -1.22 1.03 -0.00 0.00 0.00 179.97 179.81 2kua h SER 44 N 0.00 0.33 0.00 0.08 0.87 -1.04 -3.29 113.55 110.50 2kua h SER 44 Ca 0.19 -0.84 -0.16 0.00 -1.23 0.00 0.00 61.79 59.75 2kua h SER 44 Cb 1.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2kua h SER 44 CO -0.00 1.53 -1.11 1.33 -0.53 0.00 0.00 176.83 178.05 2kua n VAL 45 N -4.05 1.49 -0.29 2.23 0.24 0.12 -4.27 118.33 113.81 2kua n VAL 45 Ca -0.23 0.04 0.27 0.00 -2.04 0.00 0.00 64.34 62.37 2kua n VAL 45 Cb 0.84 -2.17 0.61 0.00 -1.47 0.00 0.00 33.84 31.64 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 0.51 -0.29 3.34 1.03 0.62 0.48 112.91 117.60 2kua h THR 46 Ca -0.24 -0.08 0.02 0.00 -0.01 0.00 0.00 66.41 66.11 2kua h THR 46 Cb 1.03 0.26 -0.02 0.00 -1.07 0.00 0.00 68.15 68.36 2kua h THR 46 CO -0.14 0.04 0.20 0.08 -0.01 0.00 0.00 175.52 175.68 2kua h ARG 47 N 0.23 0.29 0.04 0.00 -0.00 -1.58 -1.45 114.38 111.91 2kua h ARG 47 Ca 0.55 -0.02 -0.23 0.00 -0.00 0.00 0.00 59.98 60.28 2kua h ARG 47 Cb 1.70 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 31.59 2kua h ARG 47 CO -0.16 0.19 -1.07 -0.56 -0.00 0.00 0.00 179.97 178.37 2kua h GLN 48 N 0.30 0.10 -0.17 0.08 -0.00 -0.22 -2.85 115.11 112.35 2kua h GLN 48 Ca 0.12 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.65 58.57 2kua h GLN 48 Cb 0.10 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.63 2kua h GLN 48 CO -0.02 1.06 -0.08 0.82 -0.00 0.00 0.00 178.83 180.61 2kua h ILE 49 N 0.03 1.16 0.00 1.86 1.08 -0.97 -2.30 117.51 118.36 2kua h ILE 49 Ca -0.05 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2kua h ILE 49 Cb 1.81 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 2kua h ILE 49 CO 0.15 0.22 -0.06 1.56 -0.69 0.00 0.00 178.15 179.33 2kua h GLN 50 N 0.26 0.00 0.00 2.37 4.20 -1.50 -1.36 115.11 119.07 2kua h GLN 50 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kua h GLN 50 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2kua h GLN 50 CO 0.01 0.00 0.60 -0.56 -0.67 0.00 0.00 178.83 178.21 2kua h GLN 51 N -0.91 0.00 0.04 1.46 3.07 -1.55 5.43 115.11 122.65 2kua h GLN 51 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 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 -2.28 -0.85 0.09 0.00 0.00 178.83 175.79 2kua n GLU 52 N -2.72 0.67 -0.11 0.06 0.28 -0.87 -4.61 120.64 113.34 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 0.63 -1.59 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 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 -3.51 0.00 -0.11 -1.84 8.25 0.77 -4.43 115.22 114.35 2kua n HIS 53 Ca -0.42 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2kua n HIS 53 Cb 0.98 -0.82 0.32 0.00 1.12 0.00 0.00 29.99 31.59 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 -3.52 0.02 -0.38 -0.41 -0.00 1.74 0.23 117.38 115.05 2kua n GLN 54 Ca -0.41 0.90 0.35 0.00 -0.00 0.00 0.00 57.00 57.84 2kua n GLN 54 Cb 0.87 -2.28 0.69 0.00 -0.00 0.00 0.00 30.24 29.52 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 0.10 0.00 2.61 5.08 -1.76 0.43 114.58 121.03 2kua h GLU 55 Ca 0.37 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.39 2kua h GLU 55 Cb 2.49 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 31.66 2kua h GLU 55 CO -0.00 0.06 -2.24 1.19 -1.00 0.00 0.00 179.01 177.02 2kua n PHE 56 N -4.31 0.00 0.11 4.33 3.01 0.13 -4.35 117.46 116.38 2kua n PHE 56 Ca 0.29 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.61 2kua n PHE 56 Cb 1.27 -0.83 -0.07 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.03 -1.07 -0.80 1.38 0.04 -1.34 -1.95 116.94 113.17 2kua h PHE 57 Ca -0.49 0.03 0.17 0.00 2.80 0.00 0.00 57.97 60.48 2kua h PHE 57 Cb 1.74 0.46 -0.11 0.00 2.20 0.00 0.00 35.95 40.24 2kua h PHE 57 CO 0.02 -0.49 0.29 1.03 -0.60 0.00 0.00 178.31 178.56 2kua h SER 58 N -0.61 0.20 -0.97 2.17 0.87 -1.20 0.22 113.55 114.24 2kua h SER 58 Ca 0.03 0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.92 2kua h SER 58 Cb 0.64 0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.66 2kua h SER 58 CO -0.23 0.02 0.61 -1.28 -0.53 0.00 0.00 176.83 175.42 2kua h SER 59 N 0.37 0.64 0.53 6.23 0.87 -1.55 -0.13 113.55 120.51 2kua h SER 59 Ca 0.46 0.07 -0.28 0.00 -1.23 0.00 0.00 61.79 60.82 2kua h SER 59 Cb 0.80 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2kua h SER 59 CO -0.49 0.25 -1.24 -0.26 -0.53 0.00 0.00 176.83 174.56 2kua h PHE 60 N 0.63 0.59 -0.55 2.24 0.04 -0.39 -3.24 116.94 116.26 2kua h PHE 60 Ca 0.53 -0.42 0.16 0.00 2.80 0.00 0.00 57.97 61.04 2kua h PHE 60 Cb 0.99 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 2kua h PHE 60 CO -0.00 1.31 0.64 0.00 -0.60 0.00 0.00 178.31 179.66 2kua n GLU 62 N -3.55 2.06 0.01 0.00 0.28 -1.13 -4.39 120.64 113.92 2kua n GLU 62 Ca 0.11 -3.47 -0.00 0.00 -0.16 0.00 0.00 57.16 53.64 2kua n GLU 62 Cb 0.85 -1.69 -0.00 0.00 1.43 0.00 0.00 31.44 32.02 2kua n GLU 62 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kua n SER 63 N -0.87 0.19 0.02 -1.84 7.64 0.14 -4.87 113.62 114.03 2kua n SER 63 Ca 0.25 0.03 0.09 0.00 1.01 0.00 0.00 58.87 60.24 2kua n SER 63 Cb 0.81 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.80 2kua n SER 63 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kua n ARG 64 N -2.67 0.64 -0.99 1.43 3.00 -1.19 -4.97 116.66 111.92 2kua n ARG 64 Ca -0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 2kua n ARG 64 Cb 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.83 2kua n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kua n GLY 65 N 1.28 0.91 1.27 -0.13 0.00 -1.25 -4.88 105.19 102.39 2kua n GLY 65 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.00 3.53 -0.42 1.61 3.02 -1.26 -4.56 115.26 117.17 2kua n ASN 66 Ca 0.00 -2.33 0.33 0.00 -0.03 0.00 0.00 54.58 52.55 2kua n ASN 66 Cb 0.00 -0.64 0.52 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.36 -0.01 -0.02 3.52 -4.01 -1.26 0.20 116.66 115.44 2kua n ARG 67 Ca 0.10 0.79 -0.12 0.00 -1.04 0.00 0.00 57.85 57.58 2kua n ARG 67 Cb 0.67 -1.70 -0.10 0.00 -3.04 0.00 0.00 32.46 28.29 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2kua h LEU 68 N 0.00 -0.05 -1.65 2.89 5.85 -1.94 -2.65 115.31 117.76 2kua h LEU 68 Ca 0.63 -0.62 0.22 0.00 0.84 0.00 0.00 57.88 58.95 2kua h LEU 68 Cb 2.33 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 43.31 2kua h LEU 68 CO -0.13 0.65 0.60 -0.08 -0.34 0.00 0.00 178.44 179.14 2kua h GLU 69 N -0.80 0.27 -0.00 1.25 4.81 0.20 0.18 114.58 120.49 2kua h GLU 69 Ca -0.01 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 2kua h GLU 69 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2kua h GLU 69 CO 0.01 0.18 -0.94 -0.07 -0.73 0.00 0.00 179.01 177.46 2kua h LEU 70 N 0.28 0.53 -0.35 1.64 3.38 -1.40 -1.87 115.31 117.52 2kua h LEU 70 Ca 0.45 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kua h LEU 70 Cb 1.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2kua h LEU 70 CO -0.13 1.22 0.18 1.62 0.09 0.00 0.00 178.44 181.42 2kua h VAL 71 N 0.23 1.15 -0.15 1.22 3.04 -0.30 -1.08 116.25 120.36 2kua h VAL 71 Ca -0.08 -0.40 -0.13 0.00 -1.01 0.00 0.00 66.70 65.08 2kua h VAL 71 Cb 1.57 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2kua h VAL 71 CO 0.16 0.15 -0.44 0.07 -1.01 0.00 0.00 177.57 176.51 2kua h LYS 72 N 0.44 0.55 -0.36 4.17 2.10 -1.42 -2.98 116.57 119.07 2kua h LYS 72 Ca 0.12 -0.40 0.06 0.00 -2.00 0.00 0.00 60.65 58.43 2kua h LYS 72 Cb 0.08 0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.42 2kua h LYS 72 CO -0.02 1.02 0.04 1.96 -2.00 0.00 0.00 179.45 180.45 2kua h GLN 73 N 0.18 0.14 0.47 0.07 7.50 -1.25 -1.97 115.11 120.26 2kua h GLN 73 Ca -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2kua h GLN 73 Cb 1.06 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.54 2kua h GLN 73 CO 0.09 0.10 -0.40 0.52 -1.50 0.00 0.00 178.83 177.64 2kua h MET 74 N 0.15 -0.83 0.00 1.46 2.86 -1.24 -0.78 114.93 116.54 2kua h MET 74 Ca 0.17 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2kua h MET 74 Cb 0.22 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2kua h MET 74 CO -0.25 -0.56 0.33 0.00 1.06 0.00 0.00 176.91 177.49 2kua h ALA 75 N -0.52 1.31 0.00 6.32 0.00 -1.34 0.55 119.26 125.58 2kua h ALA 75 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2kua h ALA 75 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2kua h ALA 75 CO -0.02 -0.31 -1.11 0.22 0.00 0.00 0.00 179.25 178.04 2kua h ASP 76 N 0.00 0.00 0.01 0.00 1.82 -0.38 -1.24 116.42 116.63 2kua h ASP 76 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 2kua h ASP 76 Cb 0.65 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 2kua h ASP 76 CO 0.00 0.94 -0.86 0.07 -1.61 0.00 0.00 179.24 177.78 2kua h LYS 77 N 0.00 0.02 0.04 0.28 2.10 0.51 -3.41 116.57 116.11 2kua h LYS 77 Ca -0.07 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2kua h LYS 77 Cb 1.78 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 2kua h LYS 77 CO 0.11 1.02 -0.02 1.37 -2.00 0.00 0.00 179.45 179.93 2kua h LEU 78 N -0.93 -0.04-10.16 7.07 -0.00 -1.28 -3.46 115.31 106.51 2kua h LEU 78 Ca -0.23 -0.48 -0.50 0.00 -0.00 0.00 0.00 57.88 56.67 2kua h LEU 78 Cb 1.25 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.92 2kua h LEU 78 CO -0.11 0.67 -0.20 -0.76 -0.00 0.00 0.00 178.44 178.04 2kua s LEU 79 N -8.51 4.06 0.00 0.17 2.01 -0.47 -4.75 118.68 111.20 2kua s LEU 79 Ca -0.10 0.54 0.00 0.00 0.01 0.00 0.00 54.13 54.57 2kua s LEU 79 Cb -0.01 -3.37 0.00 0.00 0.01 0.00 0.00 46.19 42.82 2kua s LEU 79 CO 0.38 -0.22 0.00 -0.24 1.01 0.00 0.00 176.35 177.29 2kua n SER 80 N -1.28 0.00 -0.03 2.29 2.88 -1.25 -3.83 113.62 112.40 2kua n SER 80 Ca -0.04 -0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.40 2kua n SER 80 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.00 0.18 0.25 -1.46 2.85 -1.26 -4.62 118.16 114.11 2kua n LYS 81 Ca 0.00 0.07 0.14 0.00 -1.05 0.00 0.00 58.31 57.47 2kua n LYS 81 Cb 0.00 -0.80 0.51 0.00 -0.65 0.00 0.00 35.03 34.09 2kua n LYS 81 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2kua h ASP 82 N -0.34 0.00 -3.25 -5.58 2.03 -2.00 -3.45 116.42 103.83 2kua h ASP 82 Ca 0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 2kua h ASP 82 Cb 0.34 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.89 2kua h ASP 82 CO 0.00 0.07 0.76 -1.10 -1.03 0.00 0.00 179.24 177.93 2kua s GLN 83 N -3.54 4.29 -0.79 4.15 1.11 -1.26 -4.87 119.66 118.74 2kua s GLN 83 Ca 0.02 2.24 -0.06 0.00 0.01 0.00 0.00 55.36 57.57 2kua s GLN 83 Cb 0.08 -3.15 -0.11 0.00 -1.01 0.00 0.00 33.01 28.82 2kua s GLN 83 CO 0.60 -0.42 2.58 -0.25 0.01 0.00 0.00 175.29 177.81 2kua n ASP 84 N 2.82 5.61 -4.61 5.90 8.00 -1.26 -4.69 116.55 128.32 2kua n ASP 84 Ca 0.08 -2.36 -0.57 0.00 0.71 0.00 0.00 54.79 52.66 2kua n ASP 84 Cb 0.41 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.23 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 3.50 1.38 -4.03 1.24 -1.74 -1.26 -4.95 117.46 111.59 2kua n PHE 85 Ca 0.49 0.81 -0.21 0.00 -0.56 0.00 0.00 57.45 57.98 2kua n PHE 85 Cb 0.35 -2.27 -0.03 0.00 1.52 0.00 0.00 39.48 39.05 2kua n PHE 85 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2kua s SER 86 N 1.21 5.96 0.56 5.98 1.04 -1.26 -4.98 113.70 122.21 2kua s SER 86 Ca 0.92 -0.08 0.33 0.00 0.48 0.00 0.00 55.95 57.60 2kua s SER 86 Cb -1.14 -1.65 1.47 0.00 0.10 0.00 0.00 66.02 64.80 2kua s SER 86 CO 0.58 -0.06 1.81 -0.50 0.98 0.00 0.00 173.24 176.05 2kua h TRP 87 N 1.31 0.00 -0.33 5.02 -0.00 -2.01 0.52 115.95 120.47 2kua h TRP 87 Ca -0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.35 2kua h TRP 87 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.38 2kua h TRP 87 CO 0.50 0.00 0.06 0.77 -0.00 0.00 0.00 178.44 179.77 2kua h SER 88 N 0.00 0.44 -0.02 -3.49 0.02 -2.00 -2.76 113.55 105.74 2kua h SER 88 Ca 0.44 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.24 2kua h SER 88 Cb 1.92 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 64.35 2kua h SER 88 CO -0.00 0.47 -0.36 1.56 -1.14 0.00 0.00 176.83 177.36 2kua h GLN 89 N 0.47 0.28 -0.32 3.45 1.08 -0.33 -2.46 115.11 117.28 2kua h GLN 89 Ca 0.11 -0.27 0.07 0.00 -1.45 0.00 0.00 58.65 57.11 2kua h GLN 89 Cb 0.22 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 2kua h GLN 89 CO -0.00 0.96 -0.36 -0.07 -0.95 0.00 0.00 178.83 178.41 2kua h LEU 90 N -0.30 -1.18 -1.31 1.46 3.38 -1.32 0.75 115.31 116.79 2kua h LEU 90 Ca -0.04 0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2kua h LEU 90 Cb 1.06 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2kua h LEU 90 CO 0.07 -0.35 -0.26 -0.37 0.09 0.00 0.00 178.44 177.62 2kua h VAL 91 N -0.33 1.22 -0.27 1.22 -1.51 -1.60 -2.93 116.25 112.05 2kua h VAL 91 Ca 0.14 -1.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 2kua h VAL 91 Cb 0.56 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 2kua h VAL 91 CO -0.50 0.31 0.14 -0.03 -1.23 0.00 0.00 177.57 176.26 2kua h MET 92 N 0.12 0.38 -0.85 5.19 -1.53 -0.45 -2.59 114.93 115.20 2kua h MET 92 Ca 0.02 -0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.27 2kua h MET 92 Cb 0.53 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.45 2kua h MET 92 CO 0.04 0.35 0.54 1.25 0.14 0.00 0.00 176.91 179.23 2kua h LEU 93 N 0.31 0.90 -0.46 3.39 5.85 -0.79 -2.31 115.31 122.20 2kua h LEU 93 Ca 0.09 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2kua h LEU 93 Cb 0.08 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2kua h LEU 93 CO -0.01 0.61 0.22 -0.07 -0.34 0.00 0.00 178.44 178.84 2kua h LEU 94 N 1.05 0.30 0.58 2.25 4.07 -1.39 -1.61 115.31 120.55 2kua h LEU 94 Ca 0.34 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.32 2kua h LEU 94 Cb 0.03 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2kua h LEU 94 CO -0.12 0.21 -0.42 0.00 -1.08 0.00 0.00 178.44 177.03 2kua h ALA 95 N 1.26 -1.01 -0.09 1.53 0.00 -1.05 -2.82 119.26 117.09 2kua h ALA 95 Ca 0.20 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2kua h ALA 95 Cb 0.14 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2kua h ALA 95 CO -0.16 -1.09 -0.53 0.35 0.00 0.00 0.00 179.25 177.82 2kua h PHE 96 N -0.96 -1.55 -0.92 0.00 3.57 -1.29 -0.82 116.94 114.97 2kua h PHE 96 Ca -0.07 0.06 0.21 0.00 3.53 0.00 0.00 57.97 61.69 2kua h PHE 96 Cb 0.80 0.69 -0.17 0.00 2.79 0.00 0.00 35.95 40.06 2kua h PHE 96 CO -0.15 -0.55 -0.15 0.00 -2.23 0.00 0.00 178.31 175.24 2kua n ALA 97 N -2.98 0.30 0.19 2.41 0.00 -0.62 0.24 120.51 120.04 2kua n ALA 97 Ca -0.06 1.00 0.05 0.00 0.00 0.00 0.00 53.44 54.43 2kua n ALA 97 Cb 0.38 -0.64 0.37 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.01 -2.82 103.07 101.24 2kua h GLY 98 Ca 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 2kua h GLY 98 CO -0.92 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 175.23 2kua h THR 99 N 0.00 0.95 0.02 4.70 1.03 0.44 -3.02 112.91 117.02 2kua h THR 99 Ca -0.00 -1.56 -0.23 0.00 -0.01 0.00 0.00 66.41 64.61 2kua h THR 99 Cb 0.82 1.93 -0.03 0.00 -1.07 0.00 0.00 68.15 69.80 2kua h THR 99 CO 0.05 0.39 -1.13 -0.07 -0.01 0.00 0.00 175.52 174.75 2kua h LEU 100 N 0.00 0.06 -4.67 0.00 3.38 -0.90 -3.42 115.31 109.76 2kua h LEU 100 Ca -0.00 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 2kua h LEU 100 Cb 0.90 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2kua h LEU 100 CO 0.05 1.05 1.12 0.80 0.09 0.00 0.00 178.44 181.56 2kua n MET 101 N -3.34 0.00 -2.23 1.13 1.56 -1.11 -4.79 117.12 108.34 2kua n MET 101 Ca -0.03 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.02 2kua n MET 101 Cb 0.96 -0.70 -0.01 0.00 2.15 0.00 0.00 33.22 35.62 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 2.17 6.15 -0.43 6.12 4.22 -1.26 -4.87 114.94 127.03 2kua s ASN 102 Ca 0.78 2.34 0.05 0.00 -2.14 0.00 0.00 52.86 53.88 2kua s ASN 102 Cb -0.59 -2.61 0.17 0.00 1.28 0.00 0.00 41.25 39.50 2kua s ASN 102 CO 0.31 -0.94 0.46 -1.10 -2.04 0.00 0.00 177.10 173.80 2kua s GLN 103 N -2.68 0.90 -0.32 3.55 -1.52 -1.26 -4.46 119.66 113.87 2kua s GLN 103 Ca 0.63 -1.56 0.04 0.00 -1.95 0.00 0.00 55.36 52.52 2kua s GLN 103 Cb -0.29 -0.88 0.29 0.00 -0.22 0.00 0.00 33.01 31.90 2kua s GLN 103 CO 0.36 -1.33 1.37 0.41 -0.25 0.00 0.00 175.29 175.84 2kua n GLY 104 N 3.14 -1.50 0.00 3.09 0.00 -1.26 -5.14 105.19 103.52 2kua n GLY 104 Ca 0.23 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 0.34 0.36 0.00 1.61 -0.04 -1.26 -5.04 135.00 130.98 2kua n PRO 105 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2kua n PRO 105 Cb 0.74 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.20 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 -1.14 0.00 -1.21 0.54 9.36 -1.26 -5.00 117.16 118.45 2kua n TYR 106 Ca 0.00 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.01 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 -1.33 0.22 0.00 0.00 176.86 175.75 2kua n MET 107 N -1.65 0.00 -0.60 2.98 2.81 -1.26 -4.66 117.12 114.73 2kua n MET 107 Ca 0.00 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 2kua n MET 107 Cb 0.37 -0.90 0.31 0.00 -0.71 0.00 0.00 33.22 32.30 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 5.37 3.28 -0.10 3.04 0.00 -1.26 -4.54 120.51 126.30 2kua n ALA 108 Ca 0.54 -2.11 -0.19 0.00 0.00 0.00 0.00 53.44 51.68 2kua n ALA 108 Cb 0.09 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.02 1.51 -3.65 0.00 3.14 -1.26 -4.68 118.33 113.37 2kua n VAL 109 Ca 0.23 -0.01 -0.31 0.00 -2.96 0.00 0.00 64.34 61.29 2kua n VAL 109 Cb 0.98 -2.10 -0.09 0.00 -1.06 0.00 0.00 33.84 31.58 2kua n VAL 109 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2kua n LYS 110 N -4.45 2.41 -4.92 1.45 5.02 -1.26 -5.05 118.16 111.36 2kua n LYS 110 Ca -0.29 -4.54 -0.33 0.00 -2.02 0.00 0.00 58.31 51.13 2kua n LYS 110 Cb 0.62 -2.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.16 2kua n LYS 110 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kua s GLN 111 N -1.79 2.92 0.23 1.97 1.11 -1.26 -5.10 119.66 117.73 2kua s GLN 111 Ca 0.30 -0.73 -0.13 0.00 0.01 0.00 0.00 55.36 54.81 2kua s GLN 111 Cb 0.00 -2.45 0.05 0.00 -1.01 0.00 0.00 33.01 29.60 2kua s GLN 111 CO -0.10 0.39 0.65 1.63 0.01 0.00 0.00 175.29 177.87 2kua n LYS 112 N 2.99 0.70 -2.04 2.91 4.76 -1.26 -5.06 118.16 121.16 2kua n LYS 112 Ca -0.18 -1.43 -0.27 0.00 -2.87 0.00 0.00 58.31 53.56 2kua n LYS 112 Cb 0.52 1.83 0.02 0.00 -1.84 0.00 0.00 35.03 35.57 2kua n LYS 112 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2kua n ARG 113 N -0.45 3.38 0.06 1.97 0.00 -1.26 -4.60 116.66 115.77 2kua n ARG 113 Ca -0.05 -4.10 0.00 0.00 -0.00 0.00 0.00 57.85 53.71 2kua n ARG 113 Cb 0.43 -2.27 0.00 0.00 -0.00 0.00 0.00 32.46 30.62 2kua n ARG 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kua n ASP 114 N -0.67 0.11 0.06 2.89 2.03 -1.26 -4.81 116.55 114.91 2kua n ASP 114 Ca 0.46 0.19 0.05 0.00 0.52 0.00 0.00 54.79 56.01 2kua n ASP 114 Cb 0.79 0.09 0.25 0.00 -0.72 0.00 0.00 41.12 41.53 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kua n LEU 115 N -2.98 0.23 -1.49 -2.67 -0.00 -1.26 -4.95 117.00 103.88 2kua n LEU 115 Ca 0.00 0.60 0.01 0.00 -0.00 0.00 0.00 56.01 56.63 2kua n LEU 115 Cb 0.00 -0.63 -0.01 0.00 -0.00 0.00 0.00 43.42 42.79 2kua n LEU 115 CO 0.00 -0.66 -0.48 0.61 -0.00 0.00 0.00 177.39 176.87 2kua n GLY 116 N -1.30 -3.96 0.00 1.47 0.00 -1.26 -4.83 105.19 95.31 2kua n GLY 116 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2kua n GLY 116 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kua n ASN 117 N -2.71 0.00 0.00 1.61 6.94 -1.26 -4.70 115.26 115.14 2kua n ASN 117 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 2kua n ASN 117 Cb 0.48 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 2kua n ASN 117 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kua n ARG 118 N 0.00 -1.01 0.02 -3.83 1.74 -1.26 -4.83 116.66 107.49 2kua n ARG 118 Ca 0.00 0.25 -0.01 0.00 -0.77 0.00 0.00 57.85 57.32 2kua n ARG 118 Cb 0.00 -4.50 -0.01 0.00 -1.02 0.00 0.00 32.46 26.93 2kua n ARG 118 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2kua h VAL 119 N 0.00 0.00 0.08 1.55 3.04 -1.97 -3.17 116.25 115.78 2kua h VAL 119 Ca 0.00 -0.31 -0.29 0.00 -1.01 0.00 0.00 66.70 65.09 2kua h VAL 119 Cb 0.50 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.77 2kua h VAL 119 CO 0.00 0.00 -1.50 0.16 -1.01 0.00 0.00 177.57 175.22 2kua h ILE 120 N -0.40 1.17 -0.65 3.17 -2.65 -1.91 -3.27 117.51 112.98 2kua h ILE 120 Ca -0.01 -2.86 0.00 0.00 1.03 0.00 0.00 64.86 63.02 2kua h ILE 120 Cb 0.07 2.71 -0.03 0.00 -2.05 0.00 0.00 36.82 37.52 2kua h ILE 120 CO 0.02 0.79 0.41 1.62 0.03 0.00 0.00 178.15 181.02 2kua h VAL 121 N 0.05 1.18 -0.71 0.16 3.04 -1.78 0.64 116.25 118.83 2kua h VAL 121 Ca -0.22 -0.37 -0.07 0.00 -1.01 0.00 0.00 66.70 65.03 2kua h VAL 121 Cb 1.98 0.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 2kua h VAL 121 CO 0.14 0.18 0.19 0.00 -1.01 0.00 0.00 177.57 177.07 2kua h THR 122 N 0.88 1.26 0.01 3.17 1.03 -1.68 0.62 112.91 118.21 2kua h THR 122 Ca 0.24 -0.95 -0.22 0.00 -0.01 0.00 0.00 66.41 65.47 2kua h THR 122 Cb -0.06 0.52 -0.00 0.00 -1.07 0.00 0.00 68.15 67.54 2kua h THR 122 CO -0.05 0.37 -0.94 0.08 -0.01 0.00 0.00 175.52 174.97 2kua h ARG 123 N 1.07 0.30 0.02 0.00 0.11 -1.51 -2.69 114.38 111.68 2kua h ARG 123 Ca 0.22 -0.34 -0.21 0.00 0.10 0.00 0.00 59.98 59.75 2kua h ARG 123 Cb 0.35 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 2kua h ARG 123 CO -0.00 1.05 -0.96 0.22 0.10 0.00 0.00 179.97 180.38 2kua h ASP 124 N 0.16 0.20 -0.13 0.08 1.82 0.48 -2.84 116.42 116.18 2kua h ASP 124 Ca -0.07 -0.18 -0.05 0.00 -0.39 0.00 0.00 57.03 56.34 2kua h ASP 124 Cb 1.59 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.53 2kua h ASP 124 CO 0.15 1.04 -0.11 0.00 -1.61 0.00 0.00 179.24 178.71 2kua h LEU 127 N 1.11 -0.13 -0.28 0.00 4.07 -1.49 0.11 115.31 118.69 2kua h LEU 127 Ca 0.26 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.83 2kua h LEU 127 Cb 0.22 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2kua h LEU 127 CO -0.02 0.49 0.16 -0.29 -1.08 0.00 0.00 178.44 177.69 2kua h ILE 128 N -0.91 1.02 -0.09 1.22 2.10 -0.25 -2.42 117.51 118.18 2kua h ILE 128 Ca -0.02 -0.11 -0.12 0.00 1.08 0.00 0.00 64.86 65.69 2kua h ILE 128 Cb 0.53 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 2kua h ILE 128 CO 0.03 0.06 -0.49 0.58 -1.08 0.00 0.00 178.15 177.25 2kua h VAL 129 N 0.32 1.34 -0.96 2.19 2.07 -0.28 -3.00 116.25 117.94 2kua h VAL 129 Ca 0.11 -1.70 0.08 0.00 0.82 0.00 0.00 66.70 66.01 2kua h VAL 129 Cb 0.01 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 2kua h VAL 129 CO -0.06 0.51 0.61 -1.13 0.02 0.00 0.00 177.57 177.51 2kua h ASN 130 N 0.19 0.94 0.26 0.57 -1.24 -0.48 0.69 115.58 116.51 2kua h ASN 130 Ca 0.01 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2kua h ASN 130 Cb 0.93 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.81 2kua h ASN 130 CO 0.07 0.57 -0.13 0.15 -1.29 0.00 0.00 177.43 176.81 2kua h PHE 131 N 1.06 -0.33 0.47 0.67 3.57 -1.38 -2.96 116.94 118.04 2kua h PHE 131 Ca 0.44 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2kua h PHE 131 Cb 0.27 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2kua h PHE 131 CO -0.01 0.03 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.78 2kua h LEU 132 N -0.89 -0.62 -0.83 0.59 3.38 -1.38 0.73 115.31 116.30 2kua h LEU 132 Ca -0.04 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2kua h LEU 132 Cb 0.51 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 2kua h LEU 132 CO 0.06 -0.42 -0.41 0.22 0.09 0.00 0.00 178.44 177.99 2kua h TYR 133 N -0.67 -1.17 0.00 1.13 3.20 0.28 0.83 116.97 120.57 2kua h TYR 133 Ca -0.06 0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2kua h TYR 133 Cb 0.53 0.63 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2kua h TYR 133 CO -0.07 -0.40 -0.31 -2.95 -1.64 0.00 0.00 178.16 172.80 2kua h ASN 134 N -0.08 0.00 -0.70 -2.11 -1.07 -1.39 0.13 115.58 110.35 2kua h ASN 134 Ca 0.27 0.00 0.08 0.00 0.07 0.00 0.00 56.30 56.72 2kua h ASN 134 Cb 0.56 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.75 2kua h ASN 134 CO -0.86 0.31 0.38 0.25 0.07 0.00 0.00 177.43 177.57 2kua h LEU 135 N 0.00 0.53 0.00 6.14 7.12 0.31 -1.32 115.31 128.09 2kua h LEU 135 Ca -0.00 0.04 -0.26 0.00 0.13 0.00 0.00 57.88 57.79 2kua h LEU 135 Cb 0.67 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.70 2kua h LEU 135 CO 0.04 0.32 -2.01 0.00 -0.13 0.00 0.00 178.44 176.66 2kua n LEU 136 N -4.81 0.34 0.00 2.25 -0.00 -0.83 -4.05 117.00 109.89 2kua n LEU 136 Ca 0.10 0.16 0.04 0.00 -0.00 0.00 0.00 56.01 56.31 2kua n LEU 136 Cb 0.22 0.28 0.24 0.00 -0.00 0.00 0.00 43.42 44.17 2kua n LEU 136 CO 0.27 0.34 0.57 0.23 -0.00 0.00 0.00 177.39 178.80 2kua n MET 137 N -2.77 0.80 -2.20 1.47 2.81 0.44 0.18 117.12 117.86 2kua n MET 137 Ca -0.21 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.34 2kua n MET 137 Cb 0.99 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 2kua n MET 137 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2kua s GLY 138 N -1.45 2.33 0.27 3.03 0.00 -0.52 -4.63 107.32 106.35 2kua s GLY 138 Ca 0.12 0.55 0.01 0.00 0.00 0.00 0.00 44.72 45.40 2kua s GLY 138 CO 0.09 0.87 1.71 3.21 0.00 0.00 0.00 173.10 178.99 2kua h ARG 139 N 0.85 0.43 0.07 2.90 2.47 -1.90 1.24 114.38 120.44 2kua h ARG 139 Ca -0.48 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2kua h ARG 139 Cb 1.23 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2kua h ARG 139 CO 0.57 0.28 -0.03 -0.09 0.56 0.00 0.00 179.97 181.27 2kua h ARG 140 N 0.44 -0.09 0.54 0.04 9.65 -1.93 -2.50 114.38 120.54 2kua h ARG 140 Ca 0.51 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.38 2kua h ARG 140 Cb 0.88 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 2kua h ARG 140 CO -0.47 0.03 -0.50 0.45 2.80 0.00 0.00 179.97 182.28 2kua h HIS 141 N -1.02 -1.37 -0.42 2.20 3.86 -1.74 -1.69 115.15 114.98 2kua h HIS 141 Ca -0.01 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 2kua h HIS 141 Cb 0.17 0.52 -0.06 0.00 1.06 0.00 0.00 27.41 29.10 2kua h HIS 141 CO 0.03 -0.68 0.03 -0.09 0.86 0.00 0.00 177.93 178.08 2kua h ARG 142 N -1.03 0.14 -0.70 2.45 1.12 1.17 0.40 114.38 117.93 2kua h ARG 142 Ca -0.07 -0.01 0.15 0.00 -1.11 0.00 0.00 59.98 58.95 2kua h ARG 142 Cb 0.88 -0.03 -0.11 0.00 -0.01 0.00 0.00 29.97 30.70 2kua h ARG 142 CO -0.04 0.09 0.13 0.00 -3.11 0.00 0.00 179.97 177.04 2kua h ALA 143 N 1.35 0.85 0.01 2.80 0.00 -1.21 -0.33 119.26 122.74 2kua h ALA 143 Ca 0.21 0.18 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 2kua h ALA 143 Cb 0.28 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kua h ALA 143 CO -0.32 -0.36 -0.95 0.00 0.00 0.00 0.00 179.25 177.63 2kua h ARG 144 N 0.22 0.38 -0.65 0.00 3.08 -0.41 -2.04 114.38 114.96 2kua h ARG 144 Ca 0.39 -0.42 0.12 0.00 0.07 0.00 0.00 59.98 60.14 2kua h ARG 144 Cb 0.66 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.75 2kua h ARG 144 CO -0.52 1.10 0.20 1.25 -1.07 0.00 0.00 179.97 180.93 2kua h LEU 145 N 0.21 0.14 0.12 3.04 7.12 0.14 -1.90 115.31 124.18 2kua h LEU 145 Ca -0.08 0.10 -0.29 0.00 0.13 0.00 0.00 57.88 57.75 2kua h LEU 145 Cb 1.59 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 41.83 2kua h LEU 145 CO 0.16 0.07 -1.36 1.05 -0.13 0.00 0.00 178.44 178.23 2kua h GLU 146 N 0.35 0.26 0.00 1.25 4.11 -1.37 -0.98 114.58 118.20 2kua h GLU 146 Ca 0.34 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2kua h GLU 146 Cb 0.50 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2kua h GLU 146 CO -0.38 1.17 0.14 0.00 0.07 0.00 0.00 179.01 180.01 2kua h ALA 147 N 0.55 1.10 -0.39 1.06 0.00 -0.61 0.35 119.26 121.33 2kua h ALA 147 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 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 0.19 -0.10 0.04 1.47 0.00 0.00 0.00 179.25 180.84 2kua n LEU 148 N -2.25 4.38 0.00 0.00 -0.00 -0.85 -4.89 117.00 113.39 2kua n LEU 148 Ca -0.01 -3.37 0.00 0.00 -0.00 0.00 0.00 56.01 52.63 2kua n LEU 148 Cb 0.18 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 2kua n LEU 148 CO 0.09 0.93 0.00 0.61 -0.00 0.00 0.00 177.39 179.02 2kua n GLY 149 N -0.75 1.53 4.47 1.47 0.00 0.12 -4.62 105.19 107.41 2kua n GLY 149 Ca 0.30 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.82 -1.45 0.36 -0.02 0.00 -0.37 -2.02 105.19 99.86 2kua n GLY 150 Ca 0.00 -1.11 0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.73 0.77 -0.08 1.61 5.03 -1.26 0.17 117.44 120.95 2kua n TRP 151 Ca 0.00 0.77 -0.09 0.00 3.03 0.00 0.00 57.50 61.22 2kua n TRP 151 Cb 0.26 -1.19 -0.01 0.00 -1.03 0.00 0.00 31.31 29.34 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 0.26 0.06 -0.99 1.82 -1.95 -1.94 116.42 113.69 2kua h ASP 152 Ca 0.75 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.39 2kua h ASP 152 Cb 2.27 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 42.23 2kua h ASP 152 CO -0.51 0.19 -0.05 1.23 -1.61 0.00 0.00 179.24 178.50 2kua h GLY 153 N 0.34 0.00 0.59 -0.78 0.00 0.24 -2.53 103.07 100.92 2kua h GLY 153 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2kua h GLY 153 CO -0.06 0.00 -0.24 -2.75 0.00 0.00 0.00 176.54 173.49 2kua h PHE 154 N 0.00 -0.63 -0.97 5.60 3.57 -1.08 0.40 116.94 123.82 2kua h PHE 154 Ca -0.00 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.67 2kua h PHE 154 Cb 0.09 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 38.94 2kua h PHE 154 CO 0.00 -0.34 0.57 0.00 -2.23 0.00 0.00 178.31 176.31 2kua h ARG 156 N 0.72 0.00 0.01 0.00 -0.00 -1.46 0.32 114.38 113.97 2kua h ARG 156 Ca 0.56 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.32 2kua h ARG 156 Cb 0.86 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.85 2kua h ARG 156 CO -0.39 0.43 -0.88 0.35 -0.00 0.00 0.00 179.97 179.48 2kua h PHE 157 N 0.00 0.86 -0.77 4.08 3.57 0.32 -3.25 116.94 121.75 2kua h PHE 157 Ca -0.00 -0.48 -0.26 0.00 3.53 0.00 0.00 57.97 60.76 2kua h PHE 157 Cb 1.33 -0.09 -0.15 0.00 2.79 0.00 0.00 35.95 39.82 2kua h PHE 157 CO 0.00 1.31 0.32 1.19 -2.23 0.00 0.00 178.31 178.90 2kua n PHE 158 N -4.00 2.52 -3.21 0.41 3.01 0.11 -4.99 117.46 111.31 2kua n PHE 158 Ca -0.11 -1.30 -0.05 0.00 1.01 0.00 0.00 57.45 57.00 2kua n PHE 158 Cb 0.81 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 -0.31 -0.45 -2.04 -1.08 4.76 -0.97 -4.83 118.16 113.24 2kua n LYS 159 Ca 0.43 0.83 -0.39 0.00 -2.87 0.00 0.00 58.31 56.31 2kua n LYS 159 Cb 1.42 -1.08 -0.00 0.00 -1.84 0.00 0.00 35.03 33.53 2kua n LYS 159 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2kua s ASN 160 N -1.04 6.22 0.04 4.39 3.84 0.11 -4.96 114.94 123.55 2kua s ASN 160 Ca 0.05 2.64 -0.20 0.00 0.21 0.00 0.00 52.86 55.56 2kua s ASN 160 Cb -0.00 -2.64 -0.14 0.00 -0.55 0.00 0.00 41.25 37.92 2kua s ASN 160 CO 0.10 -0.91 1.35 1.55 -2.79 0.00 0.00 177.10 176.40 2kua h PRO 161 N 2.55 0.38 -7.28 0.43 0.13 -1.89 -3.45 132.00 122.86 2kua h PRO 161 Ca -0.50 -0.20 -0.51 0.00 -0.87 0.00 0.00 66.00 63.92 2kua h PRO 161 Cb 1.25 0.01 0.17 0.00 0.13 0.00 0.00 31.00 32.56 2kua h PRO 161 CO 0.62 0.76 0.24 -0.51 -0.23 0.00 0.00 178.00 178.88 2kua s LEU 162 N -9.09 2.72 -0.02 1.56 1.02 -1.26 -4.98 118.68 108.64 2kua s LEU 162 Ca -0.14 1.97 -0.26 0.00 0.02 0.00 0.00 54.13 55.73 2kua s LEU 162 Cb 0.05 -4.42 -0.20 0.00 0.02 0.00 0.00 46.19 41.64 2kua s LEU 162 CO 0.76 -2.81 1.24 1.55 0.02 0.00 0.00 176.35 177.11 2kua h PRO 163 N -1.66 -0.03 0.00 1.29 0.13 -2.02 -3.45 132.00 126.25 2kua h PRO 163 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2kua h PRO 163 Cb 1.26 0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.46 2kua h PRO 163 CO 0.46 0.44 -0.05 1.28 -0.23 0.00 0.00 178.00 179.91 2kua n LEU 164 N -4.88 0.00 0.00 1.56 7.99 -1.26 -5.12 117.00 115.30 2kua n LEU 164 Ca -0.08 -0.23 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 2kua n LEU 164 Cb 0.25 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 2kua n LEU 164 CO 0.33 -1.85 0.00 0.61 -1.51 0.00 0.00 177.39 174.97