#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 0.08 -3.41 1.61 -0.04 -1.26 -4.57 135.00 127.40 2kua n PRO -4 Ca 0.00 0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 2kua n PRO -4 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2kua n PRO -4 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kua n LEU -3 N -1.42 0.00 0.00 1.53 4.32 -1.26 -3.91 117.00 116.26 2kua n LEU -3 Ca 0.05 -1.79 0.00 0.00 -0.02 0.00 0.00 56.01 54.24 2kua n LEU -3 Cb 0.15 0.49 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 2kua n LEU -3 CO 0.12 -0.27 0.00 0.61 -1.22 0.00 0.00 177.39 176.63 2kua n GLY -2 N 0.80 2.84 3.31 -0.72 0.00 -1.26 -4.79 105.19 105.38 2kua n GLY -2 Ca -0.05 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 3.05 0.22 1.61 1.04 -1.26 -4.81 113.70 113.55 2kua s SER 0 Ca 0.00 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 2kua s SER 0 Cb 0.00 -0.33 0.27 0.00 0.10 0.00 0.00 66.02 66.06 2kua s SER 0 CO 0.00 0.30 1.84 -0.03 0.98 0.00 0.00 173.24 176.34 2kua h MET 1 N 5.34 0.86 -5.13 4.02 4.05 -1.99 -3.44 114.93 118.63 2kua h MET 1 Ca -0.44 -0.05 -0.61 0.00 -0.28 0.00 0.00 59.70 58.32 2kua h MET 1 Cb 1.13 -0.19 -0.13 0.00 -0.80 0.00 0.00 31.60 31.60 2kua h MET 1 CO 0.46 0.57 -0.52 0.00 0.23 0.00 0.00 176.91 177.65 2kua s ALA 2 N -6.09 3.41 -0.16 0.39 0.00 -1.26 -5.09 121.76 112.98 2kua s ALA 2 Ca -0.13 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 2kua s ALA 2 Cb 0.17 0.43 -0.10 0.00 0.00 0.00 0.00 23.12 23.61 2kua s ALA 2 CO 0.78 -0.20 0.09 -0.44 0.00 0.00 0.00 175.76 175.99 2kua h ASP 3 N 1.61 0.00 0.00 0.00 3.32 -1.96 -3.44 116.42 115.95 2kua h ASP 3 Ca -0.39 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.38 2kua h ASP 3 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2kua h ASP 3 CO 0.65 0.98 0.00 -0.24 -1.72 0.00 0.00 179.24 178.91 2kua n SER 4 N -4.58 0.15 0.00 6.45 2.88 -1.26 -4.69 113.62 112.57 2kua n SER 4 Ca -0.14 -0.47 0.09 0.00 -1.33 0.00 0.00 58.87 57.02 2kua n SER 4 Cb 0.38 0.45 0.45 0.00 -0.75 0.00 0.00 64.21 64.74 2kua n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kua n GLN 5 N -0.45 0.14 -3.56 -1.46 1.13 -1.26 -4.24 117.38 107.68 2kua n GLN 5 Ca 0.00 0.14 -0.40 0.00 -1.94 0.00 0.00 57.00 54.80 2kua n GLN 5 Cb 0.02 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.82 2kua n GLN 5 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2kua s ASP 6 N -2.78 6.01 0.00 1.08 -4.77 -1.26 -4.89 116.67 110.05 2kua s ASP 6 Ca 0.14 -3.09 0.16 0.00 -3.30 0.00 0.00 52.55 46.45 2kua s ASP 6 Cb 0.13 -1.99 0.92 0.00 -1.09 0.00 0.00 42.92 40.88 2kua s ASP 6 CO 0.32 -0.37 1.34 -0.81 0.70 0.00 0.00 175.17 176.35 2kua n PRO 7 N 3.26 0.47 0.04 2.11 -0.04 -1.26 -2.26 135.00 137.32 2kua n PRO 7 Ca 0.14 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2kua n PRO 7 Cb 0.40 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 2kua n PRO 7 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kua h LEU 8 N 0.00 0.00 0.06 1.53 7.12 -1.95 -3.03 115.31 119.05 2kua h LEU 8 Ca 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.76 2kua h LEU 8 Cb 0.01 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.16 2kua h LEU 8 CO 0.00 0.61 -1.00 1.12 -0.13 0.00 0.00 178.44 179.04 2kua h HIS 9 N 0.00 0.89 0.00 1.25 2.07 -1.88 -2.84 115.15 114.64 2kua h HIS 9 Ca -0.15 -0.53 -0.04 0.00 -2.85 0.00 0.00 60.37 56.80 2kua h HIS 9 Cb 1.60 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 31.49 2kua h HIS 9 CO 0.00 1.37 -0.18 0.93 -3.07 0.00 0.00 177.93 176.97 2kua h GLU 10 N 0.16 0.00 -0.04 5.12 5.08 -1.72 -2.88 114.58 120.30 2kua h GLU 10 Ca -0.14 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.98 2kua h GLU 10 Cb 1.69 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.96 2kua h GLU 10 CO 0.19 0.18 -0.88 0.00 -1.00 0.00 0.00 179.01 177.50 2kua h ARG 11 N 0.00 0.67 -0.32 2.33 3.08 -1.57 -2.91 114.38 115.67 2kua h ARG 11 Ca -0.00 -0.67 -0.18 0.00 0.07 0.00 0.00 59.98 59.20 2kua h ARG 11 Cb 1.02 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 2kua h ARG 11 CO 0.02 1.26 -0.50 1.15 -1.07 0.00 0.00 179.97 180.84 2kua h THR 12 N 0.33 1.27 0.45 2.04 2.02 -1.53 -1.57 112.91 115.93 2kua h THR 12 Ca -0.10 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.38 2kua h THR 12 Cb 1.54 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2kua h THR 12 CO 0.18 0.55 -0.25 -0.09 0.37 0.00 0.00 175.52 176.28 2kua h ARG 13 N 0.69 -0.63 -0.63 6.66 9.65 -1.58 0.29 114.38 128.84 2kua h ARG 13 Ca 0.03 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2kua h ARG 13 Cb 1.10 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 2kua h ARG 13 CO 0.11 -0.42 0.29 0.07 2.80 0.00 0.00 179.97 182.82 2kua h ARG 14 N -0.66 0.91 -0.33 0.20 -0.00 -1.57 0.25 114.38 113.18 2kua h ARG 14 Ca -0.06 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.98 59.77 2kua h ARG 14 Cb 0.52 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 30.32 2kua h ARG 14 CO 0.08 0.74 0.17 1.25 -0.00 0.00 0.00 179.97 182.21 2kua h LEU 15 N 0.87 0.41 -0.03 0.08 5.85 -1.12 0.73 115.31 122.10 2kua h LEU 15 Ca 0.21 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2kua h LEU 15 Cb 0.14 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2kua h LEU 15 CO -0.02 0.39 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.38 2kua h LEU 16 N 0.40 0.06 -1.18 2.25 4.07 -0.22 -2.79 115.31 117.90 2kua h LEU 16 Ca 0.11 -0.43 -0.06 0.00 0.08 0.00 0.00 57.88 57.59 2kua h LEU 16 Cb 0.07 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2kua h LEU 16 CO -0.02 0.48 -0.08 0.28 -1.08 0.00 0.00 178.44 178.02 2kua h SER 17 N -0.35 0.45 -0.79 -0.43 0.02 -0.46 -2.60 113.55 109.38 2kua h SER 17 Ca 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2kua h SER 17 Cb 0.45 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2kua h SER 17 CO 0.00 0.57 0.44 -0.78 -1.14 0.00 0.00 176.83 175.93 2kua h ASP 18 N 0.44 0.99 -0.30 3.07 3.58 0.53 -2.73 116.42 122.00 2kua h ASP 18 Ca 0.09 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2kua h ASP 18 Cb 0.42 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2kua h ASP 18 CO 0.02 0.79 0.10 0.22 -2.88 0.00 0.00 179.24 177.49 2kua h TYR 19 N 1.11 0.49 -0.51 0.28 3.20 -1.18 -2.33 116.97 118.03 2kua h TYR 19 Ca 0.28 -0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.21 2kua h TYR 19 Cb 0.02 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.06 2kua h TYR 19 CO 0.01 0.50 -0.05 0.82 -1.64 0.00 0.00 178.16 177.79 2kua h ILE 20 N 0.33 0.55 -0.01 1.81 1.08 -1.37 0.49 117.51 120.40 2kua h ILE 20 Ca 0.10 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.55 2kua h ILE 20 Cb 0.24 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2kua h ILE 20 CO -0.00 0.01 0.01 -0.26 -0.69 0.00 0.00 178.15 177.21 2kua h PHE 21 N 0.06 0.01 -0.65 1.37 -1.00 -1.40 0.00 116.94 115.33 2kua h PHE 21 Ca 0.25 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.14 2kua h PHE 21 Cb 0.39 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.91 2kua h PHE 21 CO -0.36 0.07 0.43 0.35 -1.61 0.00 0.00 178.31 177.19 2kua h PHE 22 N -0.05 0.47 0.00 -0.55 3.04 -0.79 0.25 116.94 119.31 2kua h PHE 22 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2kua h PHE 22 Cb 0.06 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.42 2kua h PHE 22 CO -0.06 0.21 -0.29 0.00 -2.02 0.00 0.00 178.31 176.16 2kua n ALA 24 N -1.69 2.60 -3.32 0.00 0.00 0.87 -4.71 120.51 114.26 2kua n ALA 24 Ca 0.05 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 2kua n ALA 24 Cb 0.40 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 2.82 0.53 0.00 1.81 -1.23 -5.03 118.95 116.47 2kua s ARG 25 Ca 0.05 -1.03 -0.14 0.00 -1.72 0.00 0.00 55.73 52.90 2kua s ARG 25 Cb 0.04 -3.33 -0.12 0.00 -0.45 0.00 0.00 34.95 31.09 2kua s ARG 25 CO 0.02 -0.53 -0.29 0.39 -0.68 0.00 0.00 175.30 174.21 2kua n GLU 26 N 4.79 0.00 0.01 3.54 4.71 -1.26 -4.76 120.64 127.67 2kua n GLU 26 Ca -0.14 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2kua n GLU 26 Cb 0.46 -0.78 0.31 0.00 -1.01 0.00 0.00 31.44 30.43 2kua n GLU 26 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2kua n PRO 27 N 1.45 0.01 -0.11 3.49 -0.04 -1.26 -2.08 135.00 136.46 2kua n PRO 27 Ca 0.03 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2kua n PRO 27 Cb 0.39 -1.52 0.32 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.53 1.71 -3.87 3.54 9.92 -1.26 -4.84 116.55 120.22 2kua n ASP 28 Ca 0.03 -1.78 -0.12 0.00 -0.53 0.00 0.00 54.79 52.40 2kua n ASP 28 Cb 0.17 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.37 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 -1.72 0.01 0.24 -3.53 -1.32 -0.88 -5.14 115.64 103.29 2kua s THR 29 Ca 0.30 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.44 2kua s THR 29 Cb 0.16 -0.03 -0.09 0.00 -1.51 0.00 0.00 72.50 71.02 2kua s THR 29 CO 0.24 -0.02 1.27 -2.16 -2.21 0.00 0.00 174.62 171.73 2kua s PRO 30 N -0.07 4.42 0.58 7.08 0.04 -1.26 -4.71 135.00 141.08 2kua s PRO 30 Ca -0.01 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 2kua s PRO 30 Cb -0.01 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2kua s PRO 30 CO -0.00 -0.16 1.03 -1.21 0.04 0.00 0.00 177.00 176.71 2kua s GLU 31 N -0.76 3.50 1.01 4.56 8.01 -1.26 -5.05 118.70 128.71 2kua s GLU 31 Ca 0.53 1.10 -0.12 0.00 0.01 0.00 0.00 54.97 56.48 2kua s GLU 31 Cb -0.36 -2.06 0.20 0.00 -4.31 0.00 0.00 34.13 27.59 2kua s GLU 31 CO 0.42 -0.66 1.09 -1.25 0.01 0.00 0.00 175.26 174.88 2kua s PRO 32 N -4.17 0.32 1.02 0.39 0.04 -1.26 -5.04 135.00 126.30 2kua s PRO 32 Ca 0.61 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 2kua s PRO 32 Cb -0.14 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 32.88 2kua s PRO 32 CO 0.37 -2.80 1.09 -1.25 0.04 0.00 0.00 177.00 174.45 2kua s PRO 33 N -4.97 0.23 0.26 0.56 0.04 -1.26 -5.03 135.00 124.83 2kua s PRO 33 Ca 0.66 0.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 2kua s PRO 33 Cb -0.19 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2kua s PRO 33 CO 0.58 -2.85 0.23 -0.35 0.04 0.00 0.00 177.00 174.65 2kua n PRO 34 N -4.25 -1.49 0.00 0.56 -0.04 -1.26 -5.05 135.00 123.47 2kua n PRO 34 Ca 0.05 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2kua n PRO 34 Cb 0.58 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 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 -3.02 0.00 -4.36 0.52 5.66 -1.26 -5.03 114.28 106.79 2kua n THR 35 Ca 0.03 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.83 2kua n THR 35 Cb 0.13 -0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 68.28 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 -2.31 0.48 -0.09 1.09 7.64 -1.26 -5.01 113.62 114.16 2kua n SER 36 Ca 0.00 -2.90 -0.09 0.00 1.01 0.00 0.00 58.87 56.88 2kua n SER 36 Cb 0.25 1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 64.55 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 1.72 1.13 -0.01 0.44 2.07 -2.00 -0.93 116.25 118.67 2kua h VAL 37 Ca -0.25 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2kua h VAL 37 Cb 1.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2kua h VAL 37 CO 0.38 0.13 -0.21 1.05 0.02 0.00 0.00 177.57 178.94 2kua h GLU 38 N 0.38 0.02 -0.06 1.57 4.11 -1.94 -2.40 114.58 116.25 2kua h GLU 38 Ca 0.11 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.34 2kua h GLU 38 Cb 0.05 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2kua h GLU 38 CO -0.02 0.23 -0.77 0.00 0.07 0.00 0.00 179.01 178.52 2kua h ALA 39 N 1.77 0.54 0.31 1.06 0.00 -1.80 -1.96 119.26 119.18 2kua h ALA 39 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2kua h ALA 39 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kua h ALA 39 CO 0.03 0.77 -0.15 0.00 0.00 0.00 0.00 179.25 179.90 2kua h ALA 40 N 0.89 -0.42 0.15 0.00 0.00 -0.70 -1.76 119.26 117.42 2kua h ALA 40 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kua h ALA 40 Cb 1.36 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2kua h ALA 40 CO 0.13 -0.60 -0.07 1.25 0.00 0.00 0.00 179.25 179.96 2kua h LEU 41 N -0.69 -0.18 -0.87 0.00 6.46 -1.56 -2.59 115.31 115.88 2kua h LEU 41 Ca -0.04 -0.10 0.18 0.00 -0.12 0.00 0.00 57.88 57.79 2kua h LEU 41 Cb 0.48 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 40.35 2kua h LEU 41 CO 0.07 -0.01 0.43 0.25 -0.62 0.00 0.00 178.44 178.57 2kua h LEU 42 N -0.34 0.47 -1.83 2.25 5.85 -1.42 0.63 115.31 120.93 2kua h LEU 42 Ca -0.02 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2kua h LEU 42 Cb 0.27 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2kua h LEU 42 CO 0.03 0.15 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.06 2kua h ARG 43 N 0.55 0.00 0.11 1.25 1.12 -1.10 2.20 114.38 118.50 2kua h ARG 43 Ca 0.50 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 59.04 2kua h ARG 43 Cb 0.81 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.76 2kua h ARG 43 CO -0.42 0.13 -1.78 1.03 -3.11 0.00 0.00 179.97 175.82 2kua h SER 44 N 0.00 0.35 0.00 -3.80 0.87 0.41 -3.24 113.55 108.14 2kua h SER 44 Ca -0.00 -0.65 -0.24 0.00 -1.23 0.00 0.00 61.79 59.67 2kua h SER 44 Cb 0.37 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2kua h SER 44 CO 0.02 1.57 -1.36 1.33 -0.53 0.00 0.00 176.83 177.85 2kua n VAL 45 N -3.40 1.52 -0.06 2.23 0.24 0.13 -4.20 118.33 114.78 2kua n VAL 45 Ca -0.24 -0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.14 2kua n VAL 45 Cb 1.05 -2.06 0.52 0.00 -1.47 0.00 0.00 33.84 31.88 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 0.89 -0.33 3.34 1.03 0.35 -0.16 112.91 117.02 2kua h THR 46 Ca -0.36 -0.12 0.01 0.00 -0.01 0.00 0.00 66.41 65.93 2kua h THR 46 Cb 1.26 0.50 -0.02 0.00 -1.07 0.00 0.00 68.15 68.82 2kua h THR 46 CO -0.22 0.07 0.22 0.08 -0.01 0.00 0.00 175.52 175.66 2kua h ARG 47 N 0.36 0.38 0.00 0.00 -0.00 -1.57 -1.40 114.38 112.15 2kua h ARG 47 Ca 0.26 -0.02 -0.20 0.00 -0.00 0.00 0.00 59.98 60.02 2kua h ARG 47 Cb 0.55 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.97 30.41 2kua h ARG 47 CO -0.07 0.25 -0.95 -0.56 -0.00 0.00 0.00 179.97 178.65 2kua h GLN 48 N 0.40 0.00 -0.16 0.08 -0.00 -1.20 -2.92 115.11 111.31 2kua h GLN 48 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 2kua h GLN 48 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.50 2kua h GLN 48 CO -0.03 0.91 -0.18 0.82 -0.00 0.00 0.00 178.83 180.35 2kua h ILE 49 N 0.00 1.21 0.00 1.86 1.08 -0.90 -2.47 117.51 118.29 2kua h ILE 49 Ca -0.02 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2kua h ILE 49 Cb 1.72 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2kua h ILE 49 CO 0.12 0.29 -0.06 1.56 -0.69 0.00 0.00 178.15 179.37 2kua h GLN 50 N 0.25 0.00 -0.00 2.37 4.20 -1.51 -1.26 115.11 119.16 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 0.47 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 2kua h GLN 50 CO 0.03 0.00 0.62 -0.56 -0.67 0.00 0.00 178.83 178.25 2kua h GLN 51 N -0.85 0.00 0.03 1.46 3.07 -1.58 5.37 115.11 122.60 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 27.56 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 -0.93 -4.61 120.64 113.27 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 0.64 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.84 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 -3.53 0.00 -0.17 -1.84 8.25 0.82 -4.43 115.22 114.33 2kua n HIS 53 Ca -0.42 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.27 2kua n HIS 53 Cb 0.97 -0.84 0.36 0.00 1.12 0.00 0.00 29.99 31.60 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 -3.53 0.01 -0.34 -0.41 -0.00 1.72 0.29 117.38 115.12 2kua n GLN 54 Ca -0.42 0.88 0.21 0.00 -0.00 0.00 0.00 57.00 57.67 2kua n GLN 54 Cb 0.88 -2.20 0.44 0.00 -0.00 0.00 0.00 30.24 29.35 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 0.44 0.05 2.61 4.11 -1.76 0.72 114.58 120.76 2kua h GLU 55 Ca 0.41 -0.03 -0.38 0.00 0.07 0.00 0.00 59.36 59.44 2kua h GLU 55 Cb 2.51 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.61 2kua h GLU 55 CO -0.00 0.29 -2.24 1.19 0.07 0.00 0.00 179.01 178.32 2kua n PHE 56 N -4.92 0.58 0.17 2.06 3.01 0.15 -4.11 117.46 114.39 2kua n PHE 56 Ca 0.29 0.13 -0.17 0.00 1.01 0.00 0.00 57.45 58.71 2kua n PHE 56 Cb 0.87 -1.08 -0.09 0.00 -0.01 0.00 0.00 39.48 39.16 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 -1.44 -0.85 1.38 0.04 -1.32 -1.97 116.94 112.80 2kua h PHE 57 Ca -0.50 0.03 0.18 0.00 2.80 0.00 0.00 57.97 60.48 2kua h PHE 57 Cb 1.98 0.60 -0.11 0.00 2.20 0.00 0.00 35.95 40.62 2kua h PHE 57 CO 0.05 -0.61 0.38 1.03 -0.60 0.00 0.00 178.31 178.55 2kua h SER 58 N -0.82 0.36 -0.91 2.17 0.87 -1.11 0.27 113.55 114.37 2kua h SER 58 Ca -0.02 0.13 0.21 0.00 -1.23 0.00 0.00 61.79 60.88 2kua h SER 58 Cb 0.79 0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.78 2kua h SER 58 CO -0.21 0.08 0.60 0.28 -0.53 0.00 0.00 176.83 177.05 2kua h SER 59 N 0.46 0.39 0.23 6.23 0.02 -1.52 -0.69 113.55 118.68 2kua h SER 59 Ca 0.50 0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 61.18 2kua h SER 59 Cb 0.85 -0.03 0.03 0.00 0.14 0.00 0.00 62.40 63.40 2kua h SER 59 CO -0.46 0.15 -1.38 -0.26 -1.14 0.00 0.00 176.83 173.75 2kua h PHE 60 N 0.39 0.90 -0.86 3.45 0.04 -0.22 -3.24 116.94 117.39 2kua h PHE 60 Ca 0.47 -0.66 0.22 0.00 2.80 0.00 0.00 57.97 60.80 2kua h PHE 60 Cb 1.20 -0.04 -0.13 0.00 2.20 0.00 0.00 35.95 39.19 2kua h PHE 60 CO -0.00 1.53 0.29 0.00 -0.60 0.00 0.00 178.31 179.52 2kua n GLU 62 N -5.15 2.26 0.00 0.00 1.02 -1.02 -3.42 120.64 114.34 2kua n GLU 62 Ca 0.21 -2.92 -0.00 0.00 -0.02 0.00 0.00 57.16 54.42 2kua n GLU 62 Cb 0.64 -2.15 -0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.07 0.15 0.03 1.62 2.88 0.21 -4.87 113.62 112.57 2kua n SER 63 Ca 0.58 0.02 0.11 0.00 -1.33 0.00 0.00 58.87 58.25 2kua n SER 63 Cb 1.64 -0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 64.92 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 -2.64 0.54 -0.93 -1.46 3.00 -0.98 -4.96 116.66 109.22 2kua n ARG 64 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 2kua n ARG 64 Cb 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 30.85 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 1.27 0.55 1.26 -0.13 0.00 -1.22 -4.87 105.19 102.05 2kua n GLY 65 Ca -0.01 0.00 -0.03 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 -0.13 3.66 -0.27 1.61 5.03 -1.26 -4.58 115.26 119.31 2kua n ASN 66 Ca 0.00 -2.29 0.23 0.00 0.87 0.00 0.00 54.58 53.39 2kua n ASN 66 Cb 0.07 -0.67 0.39 0.00 -1.02 0.00 0.00 39.78 38.55 2kua n ASN 66 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kua n ARG 67 N 0.49 -0.02 -0.04 3.52 5.12 -1.26 0.19 116.66 124.66 2kua n ARG 67 Ca 0.08 0.73 -0.11 0.00 -1.93 0.00 0.00 57.85 56.62 2kua n ARG 67 Cb 0.62 -1.44 -0.10 0.00 -1.16 0.00 0.00 32.46 30.39 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2kua h LEU 68 N 0.00 -0.03 -1.61 0.55 5.85 -1.93 -2.74 115.31 115.40 2kua h LEU 68 Ca 0.51 -0.67 0.23 0.00 0.84 0.00 0.00 57.88 58.79 2kua h LEU 68 Cb 1.64 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 2kua h LEU 68 CO -0.28 0.75 0.62 -0.33 -0.34 0.00 0.00 178.44 178.87 2kua h GLU 69 N -0.93 0.30 0.01 1.25 5.08 0.18 0.18 114.58 120.65 2kua h GLU 69 Ca -0.00 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2kua h GLU 69 Cb 0.70 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2kua h GLU 69 CO 0.01 0.20 -0.98 -0.07 -1.00 0.00 0.00 179.01 177.17 2kua h LEU 70 N 0.31 0.55 -0.40 1.33 -0.00 -1.14 -1.91 115.31 114.06 2kua h LEU 70 Ca 0.48 -0.46 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2kua h LEU 70 Cb 1.35 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2kua h LEU 70 CO -0.15 1.26 0.20 1.62 -0.00 0.00 0.00 178.44 181.37 2kua h VAL 71 N 0.23 1.17 -0.15 1.22 3.04 -0.36 -1.45 116.25 119.94 2kua h VAL 71 Ca -0.09 -0.45 -0.16 0.00 -1.01 0.00 0.00 66.70 64.99 2kua h VAL 71 Cb 1.62 0.73 0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2kua h VAL 71 CO 0.17 0.18 -0.52 0.07 -1.01 0.00 0.00 177.57 176.46 2kua h LYS 72 N 0.51 0.61 -0.34 4.17 2.10 -1.37 -2.93 116.57 119.32 2kua h LYS 72 Ca 0.14 -0.46 0.06 0.00 -2.00 0.00 0.00 60.65 58.39 2kua h LYS 72 Cb 0.10 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.46 2kua h LYS 72 CO -0.02 1.08 0.01 1.96 -2.00 0.00 0.00 179.45 180.48 2kua h GLN 73 N 0.27 0.11 0.37 0.07 7.50 -1.24 -2.07 115.11 120.11 2kua h GLN 73 Ca -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 2kua h GLN 73 Cb 1.15 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.64 2kua h GLN 73 CO 0.11 0.07 -0.25 0.52 -1.50 0.00 0.00 178.83 177.78 2kua h MET 74 N 0.11 -0.59 -0.13 1.46 2.86 -1.31 -1.29 114.93 116.05 2kua h MET 74 Ca 0.17 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 2kua h MET 74 Cb 0.22 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2kua h MET 74 CO -0.27 -0.39 0.44 0.00 1.06 0.00 0.00 176.91 177.75 2kua h ALA 75 N -0.03 1.62 0.00 6.32 0.00 -1.29 0.63 119.26 126.52 2kua h ALA 75 Ca -0.04 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2kua h ALA 75 Cb 0.51 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2kua h ALA 75 CO 0.02 -0.51 -1.21 0.22 0.00 0.00 0.00 179.25 177.77 2kua h ASP 76 N 0.00 0.00 0.04 0.00 3.58 -0.55 -1.26 116.42 118.24 2kua h ASP 76 Ca 0.06 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 2kua h ASP 76 Cb 0.94 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2kua h ASP 76 CO -0.00 1.00 -0.29 0.07 -2.88 0.00 0.00 179.24 177.14 2kua h LYS 77 N 0.00 0.08 0.00 0.28 2.10 0.69 -3.41 116.57 116.31 2kua h LYS 77 Ca -0.09 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2kua h LYS 77 Cb 1.84 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.23 2kua h LYS 77 CO 0.12 1.07 -0.12 1.37 -2.00 0.00 0.00 179.45 179.88 2kua h LEU 78 N -0.82 0.00-10.20 7.07 -0.00 -1.29 -3.47 115.31 106.60 2kua h LEU 78 Ca -0.06 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.33 2kua h LEU 78 Cb 1.19 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2kua h LEU 78 CO 0.03 0.49 0.19 -0.76 -0.00 0.00 0.00 178.44 178.40 2kua s LEU 79 N -7.86 3.70 0.00 0.17 2.01 -0.47 -4.86 118.68 111.37 2kua s LEU 79 Ca -0.04 1.21 0.00 0.00 0.01 0.00 0.00 54.13 55.31 2kua s LEU 79 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 46.19 42.07 2kua s LEU 79 CO 0.05 -0.51 0.00 -0.24 1.01 0.00 0.00 176.35 176.66 2kua n SER 80 N -1.64 0.00 -0.11 2.29 2.88 -1.25 -3.85 113.62 111.93 2kua n SER 80 Ca 0.03 -0.85 -0.21 0.00 -1.33 0.00 0.00 58.87 56.51 2kua n SER 80 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.54 -0.28 -1.46 2.85 -1.26 -4.49 118.16 114.06 2kua n LYS 81 Ca 0.00 0.23 0.06 0.00 -1.05 0.00 0.00 58.31 57.55 2kua n LYS 81 Cb 0.00 -1.42 0.19 0.00 -0.65 0.00 0.00 35.03 33.16 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 -4.27 2.55 -4.56 -5.58 8.00 -1.26 -4.84 116.55 106.59 2kua n ASP 82 Ca -0.38 -2.12 -0.34 0.00 0.71 0.00 0.00 54.79 52.66 2kua n ASP 82 Cb 0.73 -0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 41.37 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kua s GLN 83 N -1.57 3.82 -0.61 -1.24 1.11 -1.26 -5.00 119.66 114.91 2kua s GLN 83 Ca 0.28 -0.43 -0.26 0.00 0.01 0.00 0.00 55.36 54.97 2kua s GLN 83 Cb 0.16 -3.12 -0.23 0.00 -1.01 0.00 0.00 33.01 28.82 2kua s GLN 83 CO 0.16 0.21 1.84 -0.25 0.01 0.00 0.00 175.29 177.26 2kua n ASP 84 N 3.70 1.98 -4.67 5.90 9.92 -1.26 -4.61 116.55 127.51 2kua n ASP 84 Ca -0.17 -2.60 -0.44 0.00 -0.53 0.00 0.00 54.79 51.05 2kua n ASP 84 Cb 0.52 -1.07 -0.03 0.00 -0.64 0.00 0.00 41.12 39.90 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2kua n PHE 85 N 10.26 2.50 -3.04 1.24 -1.74 -1.26 -4.98 117.46 120.45 2kua n PHE 85 Ca 0.47 -0.20 -0.24 0.00 -0.56 0.00 0.00 57.45 56.92 2kua n PHE 85 Cb 0.43 -2.74 0.00 0.00 1.52 0.00 0.00 39.48 38.69 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 3.68 5.99 0.30 5.98 0.15 -1.26 -4.97 113.70 123.56 2kua s SER 86 Ca 0.87 0.40 0.05 0.00 0.70 0.00 0.00 55.95 57.98 2kua s SER 86 Cb -0.51 -1.74 0.71 0.00 -1.71 0.00 0.00 66.02 62.77 2kua s SER 86 CO 0.42 -0.59 1.79 -0.50 1.20 0.00 0.00 173.24 175.56 2kua h TRP 87 N 0.46 1.08 -0.75 3.44 4.06 -2.01 0.15 115.95 122.37 2kua h TRP 87 Ca -0.47 0.03 0.17 0.00 2.06 0.00 0.00 58.89 60.68 2kua h TRP 87 Cb 1.24 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 29.02 2kua h TRP 87 CO 0.48 0.28 0.51 0.77 -3.56 0.00 0.00 178.44 176.92 2kua h SER 88 N 0.81 0.31 -0.15 -3.49 0.02 -2.00 -0.23 113.55 108.81 2kua h SER 88 Ca 0.56 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 61.30 2kua h SER 88 Cb 0.82 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.33 2kua h SER 88 CO -0.35 0.15 -0.79 1.56 -1.14 0.00 0.00 176.83 176.26 2kua h GLN 89 N 0.32 0.80 0.27 3.45 1.08 -1.08 -2.66 115.11 117.28 2kua h GLN 89 Ca 0.37 -0.66 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 2kua h GLN 89 Cb 0.99 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 2kua h GLN 89 CO -0.10 1.26 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.64 2kua h LEU 90 N 0.54 -0.91 -1.66 1.46 4.07 -0.84 -1.85 115.31 116.11 2kua h LEU 90 Ca -0.06 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2kua h LEU 90 Cb 1.42 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 43.47 2kua h LEU 90 CO 0.16 -0.45 0.04 -0.37 -1.08 0.00 0.00 178.44 176.74 2kua h VAL 91 N -0.65 1.10 -0.40 1.22 -1.51 -1.54 -2.53 116.25 111.94 2kua h VAL 91 Ca -0.00 -0.34 0.01 0.00 -1.23 0.00 0.00 66.70 65.14 2kua h VAL 91 Cb 0.61 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 2kua h VAL 91 CO -0.10 0.12 0.25 -0.03 -1.23 0.00 0.00 177.57 176.58 2kua h MET 92 N 0.25 0.50 -0.53 5.19 -1.53 -0.99 -2.01 114.93 115.82 2kua h MET 92 Ca 0.06 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.31 2kua h MET 92 Cb 0.11 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 2kua h MET 92 CO -0.00 0.33 0.34 -0.07 0.14 0.00 0.00 176.91 177.65 2kua h LEU 93 N 0.52 0.57 -0.00 3.39 3.38 -0.92 -1.63 115.31 120.61 2kua h LEU 93 Ca 0.15 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2kua h LEU 93 Cb -0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2kua h LEU 93 CO -0.05 0.40 -0.13 -0.07 0.09 0.00 0.00 178.44 178.69 2kua h LEU 94 N 0.68 -0.38 0.47 1.67 4.07 -1.36 0.29 115.31 120.74 2kua h LEU 94 Ca 0.20 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 2kua h LEU 94 Cb -0.04 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2kua h LEU 94 CO -0.06 -0.18 -0.43 0.00 -1.08 0.00 0.00 178.44 176.68 2kua h ALA 95 N 0.74 -0.97 0.13 1.53 0.00 -1.14 -2.25 119.26 117.29 2kua h ALA 95 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kua h ALA 95 Cb 0.28 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2kua h ALA 95 CO -0.13 -1.08 -0.51 0.35 0.00 0.00 0.00 179.25 177.88 2kua h PHE 96 N -0.90 -1.48 -1.00 0.00 3.57 -1.19 -0.96 116.94 114.98 2kua h PHE 96 Ca -0.05 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.67 2kua h PHE 96 Cb 0.79 0.63 -0.18 0.00 2.79 0.00 0.00 35.95 39.98 2kua h PHE 96 CO -0.21 -0.58 -0.31 0.00 -2.23 0.00 0.00 178.31 174.97 2kua n ALA 97 N -2.91 0.07 0.19 2.41 0.00 0.08 0.16 120.51 120.51 2kua n ALA 97 Ca -0.08 1.05 0.04 0.00 0.00 0.00 0.00 53.44 54.45 2kua n ALA 97 Cb 0.40 -0.56 0.46 0.00 0.00 0.00 0.00 19.45 19.74 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 0.08 2.00 0.00 0.00 -0.80 -2.07 103.07 102.28 2kua h GLY 98 Ca 0.42 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 2kua h GLY 98 CO -1.01 0.05 -0.23 0.00 0.00 0.00 0.00 176.54 175.35 2kua h THR 99 N 0.07 0.77 0.00 4.70 1.03 0.28 -2.37 112.91 117.40 2kua h THR 99 Ca 0.01 -0.93 -0.03 0.00 -0.01 0.00 0.00 66.41 65.45 2kua h THR 99 Cb 0.36 1.57 -0.00 0.00 -1.07 0.00 0.00 68.15 69.01 2kua h THR 99 CO 0.02 0.22 -0.52 -0.07 -0.01 0.00 0.00 175.52 175.17 2kua h LEU 100 N 0.00 0.00 -5.46 0.00 3.38 -0.59 -3.43 115.31 109.20 2kua h LEU 100 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2kua h LEU 100 Cb 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 2kua h LEU 100 CO 0.03 0.12 1.33 0.80 0.09 0.00 0.00 178.44 180.81 2kua n MET 101 N -2.96 0.00 -1.91 1.13 1.56 -0.89 -4.77 117.12 109.27 2kua n MET 101 Ca 0.01 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.04 2kua n MET 101 Cb 0.59 -0.79 0.00 0.00 2.15 0.00 0.00 33.22 35.18 2kua n MET 101 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 2kua s ASN 102 N 1.90 6.18 -0.09 6.12 2.47 -1.26 -4.81 114.94 125.45 2kua s ASN 102 Ca 0.91 2.84 -0.04 0.00 0.42 0.00 0.00 52.86 56.99 2kua s ASN 102 Cb -0.67 -2.65 0.05 0.00 -1.45 0.00 0.00 41.25 36.53 2kua s ASN 102 CO 0.37 -0.96 0.18 -1.10 -3.72 0.00 0.00 177.10 171.88 2kua s GLN 103 N -2.26 0.11 -0.32 0.43 -1.52 -1.26 -4.31 119.66 110.52 2kua s GLN 103 Ca 0.57 0.50 0.16 0.00 -1.95 0.00 0.00 55.36 54.64 2kua s GLN 103 Cb -0.42 -0.17 0.44 0.00 -0.22 0.00 0.00 33.01 32.64 2kua s GLN 103 CO 0.55 -0.21 1.34 0.41 -0.25 0.00 0.00 175.29 177.12 2kua n GLY 104 N 4.63 1.81 0.00 3.09 0.00 -1.26 -5.13 105.19 108.33 2kua n GLY 104 Ca -0.18 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.00 0.35 0.00 1.61 -0.04 -1.26 -4.98 135.00 129.68 2kua n PRO 105 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2kua n PRO 105 Cb 0.85 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.31 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 -1.16 0.00 -1.27 0.54 9.36 -1.26 -5.02 117.16 118.36 2kua n TYR 106 Ca 0.00 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 2kua n TYR 106 Cb 0.00 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.56 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 -0.79 0.00 0.00 2.98 2.81 -1.26 -4.84 117.12 116.02 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 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 7.54 0.00 -1.00 3.04 0.00 -1.26 -5.08 120.51 123.75 2kua n ALA 108 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2kua n ALA 108 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.05 0.00 3.14 -1.26 -4.46 118.33 113.70 2kua n VAL 109 Ca 0.00 0.51 -0.33 0.00 -2.96 0.00 0.00 64.34 61.56 2kua n VAL 109 Cb 0.00 -1.19 -0.04 0.00 -1.06 0.00 0.00 33.84 31.55 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 -0.34 2.60 0.16 1.45 1.02 -1.26 -4.91 119.74 118.46 2kua s LYS 110 Ca 0.00 0.19 -0.04 0.00 0.02 0.00 0.00 55.97 56.14 2kua s LYS 110 Cb 0.00 -4.69 -0.03 0.00 -0.52 0.00 0.00 37.83 32.59 2kua s LYS 110 CO 0.00 -3.02 0.16 -0.65 -0.92 0.00 0.00 175.35 170.92 2kua s GLN 111 N 7.01 1.07 0.12 1.68 -1.52 -1.26 -5.16 119.66 121.61 2kua s GLN 111 Ca 0.68 -1.38 -0.17 0.00 -1.95 0.00 0.00 55.36 52.54 2kua s GLN 111 Cb -0.10 0.30 0.04 0.00 -0.22 0.00 0.00 33.01 33.03 2kua s GLN 111 CO 0.11 -0.35 0.44 0.15 -0.25 0.00 0.00 175.29 175.38 2kua s LYS 112 N -4.04 1.09 -0.73 2.91 -0.14 -1.26 -4.91 119.74 112.66 2kua s LYS 112 Ca 0.24 -0.64 -0.09 0.00 -1.36 0.00 0.00 55.97 54.12 2kua s LYS 112 Cb 0.06 0.49 0.09 0.00 -1.68 0.00 0.00 37.83 36.79 2kua s LYS 112 CO 0.03 -0.43 0.23 2.89 -0.76 0.00 0.00 175.35 177.31 2kua n ARG 113 N -0.20 -1.54 -0.05 1.68 1.85 -1.26 -4.67 116.66 112.47 2kua n ARG 113 Ca -0.16 0.05 0.12 0.00 -1.00 0.00 0.00 57.85 56.86 2kua n ARG 113 Cb 0.64 -3.30 0.15 0.00 -1.05 0.00 0.00 32.46 28.90 2kua n ARG 113 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kua n ASP 114 N -1.32 3.03 0.26 2.89 8.00 -1.26 -4.43 116.55 123.73 2kua n ASP 114 Ca 0.05 -1.97 0.10 0.00 0.71 0.00 0.00 54.79 53.67 2kua n ASP 114 Cb 0.34 -0.06 0.40 0.00 -0.02 0.00 0.00 41.12 41.78 2kua n ASP 114 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kua h LEU 115 N 4.52 0.00 -5.12 0.64 3.38 -2.01 -3.04 115.31 113.69 2kua h LEU 115 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2kua h LEU 115 Cb 0.97 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.74 2kua h LEU 115 CO 0.00 0.00 3.23 0.61 0.09 0.00 0.00 178.44 182.37 2kua n GLY 116 N -1.42 3.77 2.47 0.83 0.00 -1.26 -4.95 105.19 104.64 2kua n GLY 116 Ca 0.02 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 3.76 -3.50 -4.03 1.61 6.94 -1.15 -4.77 115.26 114.12 2kua n ASN 117 Ca 0.65 0.39 -0.36 0.00 -0.02 0.00 0.00 54.58 55.23 2kua n ASN 117 Cb 0.22 -0.64 0.04 0.00 -2.36 0.00 0.00 39.78 37.04 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 1.44 -0.04 0.06 -3.83 5.12 -1.26 -4.81 116.66 113.34 2kua n ARG 118 Ca 0.04 -0.01 0.12 0.00 -1.93 0.00 0.00 57.85 56.06 2kua n ARG 118 Cb 0.39 -1.06 0.46 0.00 -1.16 0.00 0.00 32.46 31.10 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2kua n VAL 119 N -2.82 0.59 -0.03 1.55 0.31 -1.26 -3.31 118.33 113.35 2kua n VAL 119 Ca -0.02 0.02 0.21 0.00 -0.01 0.00 0.00 64.34 64.55 2kua n VAL 119 Cb 0.61 -0.80 0.69 0.00 -0.91 0.00 0.00 33.84 33.43 2kua n VAL 119 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2kua h ILE 120 N 0.00 0.71 -0.04 2.52 -2.65 -1.92 0.11 117.51 116.24 2kua h ILE 120 Ca 0.00 -0.01 -0.02 0.00 1.03 0.00 0.00 64.86 65.86 2kua h ILE 120 Cb 0.48 0.69 -0.00 0.00 -2.05 0.00 0.00 36.82 35.95 2kua h ILE 120 CO 0.00 0.00 -0.05 1.62 0.03 0.00 0.00 178.15 179.75 2kua h VAL 121 N 0.02 1.41 -0.39 0.16 3.04 -1.74 -1.77 116.25 116.98 2kua h VAL 121 Ca 0.28 -1.28 -0.07 0.00 -1.01 0.00 0.00 66.70 64.61 2kua h VAL 121 Cb 1.10 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 32.55 2kua h VAL 121 CO -0.01 0.35 -0.04 0.00 -1.01 0.00 0.00 177.57 176.85 2kua h THR 122 N -0.39 1.27 -0.76 3.17 1.03 -1.49 0.47 112.91 116.21 2kua h THR 122 Ca 0.00 -1.09 -0.01 0.00 -0.01 0.00 0.00 66.41 65.30 2kua h THR 122 Cb 0.59 1.19 -0.04 0.00 -1.07 0.00 0.00 68.15 68.82 2kua h THR 122 CO 0.01 0.36 0.42 0.08 -0.01 0.00 0.00 175.52 176.38 2kua h ARG 123 N 0.53 1.06 0.00 0.00 0.11 -0.90 -1.20 114.38 113.98 2kua h ARG 123 Ca 0.10 -0.12 -0.14 0.00 0.10 0.00 0.00 59.98 59.92 2kua h ARG 123 Cb 0.54 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 2kua h ARG 123 CO 0.03 0.79 -0.68 -0.44 0.10 0.00 0.00 179.97 179.76 2kua h ASP 124 N 1.05 0.00 -0.24 0.08 5.19 -1.22 -2.98 116.42 118.30 2kua h ASP 124 Ca 0.27 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.61 2kua h ASP 124 Cb 0.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2kua h ASP 124 CO -0.04 0.68 -0.11 0.00 -3.12 0.00 0.00 179.24 176.65 2kua h LEU 127 N 1.05 -0.12 -0.32 0.00 3.38 -1.48 0.15 115.31 117.97 2kua h LEU 127 Ca 0.25 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2kua h LEU 127 Cb 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2kua h LEU 127 CO -0.02 0.51 0.17 -0.29 0.09 0.00 0.00 178.44 178.90 2kua h ILE 128 N -0.90 1.01 -0.11 1.22 2.10 -0.26 -2.37 117.51 118.20 2kua h ILE 128 Ca -0.01 -0.12 -0.13 0.00 1.08 0.00 0.00 64.86 65.67 2kua h ILE 128 Cb 0.54 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 2kua h ILE 128 CO 0.02 0.07 -0.50 0.58 -1.08 0.00 0.00 178.15 177.24 2kua h VAL 129 N 0.36 1.34 -0.78 2.19 2.07 -0.29 -2.97 116.25 118.17 2kua h VAL 129 Ca 0.13 -1.74 0.05 0.00 0.82 0.00 0.00 66.70 65.95 2kua h VAL 129 Cb 0.03 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2kua h VAL 129 CO -0.08 0.52 0.51 -1.13 0.02 0.00 0.00 177.57 177.42 2kua h ASN 130 N 0.23 0.80 0.25 0.57 -1.24 -0.46 0.91 115.58 116.63 2kua h ASN 130 Ca 0.01 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2kua h ASN 130 Cb 0.97 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.84 2kua h ASN 130 CO 0.08 0.54 -0.12 0.15 -1.29 0.00 0.00 177.43 176.79 2kua h PHE 131 N 0.92 -0.31 0.40 0.67 3.57 -1.32 -2.86 116.94 118.01 2kua h PHE 131 Ca 0.32 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 2kua h PHE 131 Cb 0.12 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2kua h PHE 131 CO -0.00 0.05 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.87 2kua h LEU 132 N -0.93 -0.45 -0.82 0.59 3.38 -1.37 0.29 115.31 116.00 2kua h LEU 132 Ca -0.03 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.04 2kua h LEU 132 Cb 0.49 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 2kua h LEU 132 CO 0.06 -0.18 -0.04 0.22 0.09 0.00 0.00 178.44 178.59 2kua h TYR 133 N -0.72 -0.14 0.00 1.13 3.20 0.71 0.70 116.97 121.85 2kua h TYR 133 Ca -0.05 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 2kua h TYR 133 Cb 0.51 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2kua h TYR 133 CO -0.01 -0.31 -0.58 -0.91 -1.64 0.00 0.00 178.16 174.72 2kua h ASN 134 N 0.06 0.00 0.23 -2.11 2.35 -1.42 0.23 115.58 114.91 2kua h ASN 134 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2kua h ASN 134 Cb 0.80 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2kua h ASN 134 CO -0.76 0.58 -0.20 0.25 -1.65 0.00 0.00 177.43 175.65 2kua h LEU 135 N 0.00 -0.53 0.00 1.61 7.12 0.26 -1.73 115.31 122.04 2kua h LEU 135 Ca -0.01 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2kua h LEU 135 Cb 1.12 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2kua h LEU 135 CO 0.08 -0.30 -0.57 0.17 -0.13 0.00 0.00 178.44 177.68 2kua h LEU 136 N -0.45 0.00 -3.10 2.25 -0.00 -1.37 -3.29 115.31 109.35 2kua h LEU 136 Ca -0.01 -0.10 -0.15 0.00 -0.00 0.00 0.00 57.88 57.62 2kua h LEU 136 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.98 2kua h LEU 136 CO -0.03 0.05 0.19 0.80 -0.00 0.00 0.00 178.44 179.45 2kua n MET 137 N -2.41 3.09 -2.25 0.17 1.56 0.07 -1.59 117.12 115.75 2kua n MET 137 Ca 0.03 -2.26 -0.27 0.00 -0.27 0.00 0.00 57.70 54.93 2kua n MET 137 Cb 0.48 -1.98 0.05 0.00 2.15 0.00 0.00 33.22 33.91 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 -0.61 1.64 0.12 -5.12 0.00 -0.67 -4.60 107.32 98.08 2kua s GLY 138 Ca 0.41 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 44.14 2kua s GLY 138 CO 0.10 -0.39 1.64 3.21 0.00 0.00 0.00 173.10 177.66 2kua h ARG 139 N -0.40 -0.36 0.09 2.90 3.08 -1.81 0.73 114.38 118.60 2kua h ARG 139 Ca -0.45 0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.42 2kua h ARG 139 Cb 1.28 0.08 0.02 0.00 0.08 0.00 0.00 29.97 31.43 2kua h ARG 139 CO 0.61 -0.24 -0.86 0.07 -1.07 0.00 0.00 179.97 178.48 2kua h ARG 140 N -0.38 0.42 0.87 0.04 0.11 -1.93 -2.84 114.38 110.66 2kua h ARG 140 Ca 0.06 -0.58 -0.04 0.00 0.10 0.00 0.00 59.98 59.52 2kua h ARG 140 Cb 0.45 0.19 0.01 0.00 1.11 0.00 0.00 29.97 31.73 2kua h ARG 140 CO -0.20 1.23 -0.43 0.45 0.10 0.00 0.00 179.97 181.12 2kua h HIS 141 N -0.12 -1.13 -0.55 4.08 3.86 -1.81 -2.21 115.15 117.27 2kua h HIS 141 Ca -0.13 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.15 2kua h HIS 141 Cb 1.61 0.38 -0.08 0.00 1.06 0.00 0.00 27.41 30.38 2kua h HIS 141 CO 0.16 -0.69 0.10 -0.09 0.86 0.00 0.00 177.93 178.27 2kua h ARG 142 N -1.18 0.23 -0.81 2.45 1.12 0.15 0.29 114.38 116.62 2kua h ARG 142 Ca -0.12 -0.01 0.17 0.00 -1.11 0.00 0.00 59.98 58.90 2kua h ARG 142 Cb 0.91 -0.05 -0.10 0.00 -0.01 0.00 0.00 29.97 30.72 2kua h ARG 142 CO 0.18 0.15 0.34 0.00 -3.11 0.00 0.00 179.97 177.54 2kua h ALA 143 N 1.44 1.20 0.01 2.80 0.00 -1.41 -1.55 119.26 121.76 2kua h ALA 143 Ca 0.29 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 2kua h ALA 143 Cb 0.41 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kua h ALA 143 CO -0.38 -0.23 -0.25 0.00 0.00 0.00 0.00 179.25 178.39 2kua h ARG 144 N 0.45 0.15 -0.87 0.00 2.47 -0.54 -1.42 114.38 114.63 2kua h ARG 144 Ca 0.47 -0.17 0.21 0.00 -1.26 0.00 0.00 59.98 59.22 2kua h ARG 144 Cb 0.76 0.05 -0.16 0.00 -1.65 0.00 0.00 29.97 28.98 2kua h ARG 144 CO -0.44 0.94 0.00 1.25 0.56 0.00 0.00 179.97 182.28 2kua h LEU 145 N -0.56 -0.43 0.13 3.04 7.12 0.16 0.17 115.31 124.94 2kua h LEU 145 Ca -0.03 0.23 -0.28 0.00 0.13 0.00 0.00 57.88 57.93 2kua h LEU 145 Cb 1.03 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 41.58 2kua h LEU 145 CO 0.05 -0.25 -1.31 1.05 -0.13 0.00 0.00 178.44 177.84 2kua h GLU 146 N 0.07 0.28 0.00 1.25 4.11 -1.39 -0.60 114.58 118.29 2kua h GLU 146 Ca 0.49 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2kua h GLU 146 Cb 0.92 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2kua h GLU 146 CO -0.79 1.20 0.16 0.00 0.07 0.00 0.00 179.01 179.65 2kua h ALA 147 N 0.55 1.12 -0.41 1.06 0.00 0.44 0.33 119.26 122.35 2kua h ALA 147 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2kua h ALA 147 Cb 1.99 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.69 2kua h ALA 147 CO 0.20 -0.12 0.05 1.47 0.00 0.00 0.00 179.25 180.84 2kua n LEU 148 N -2.40 4.44 0.00 0.00 -0.00 -0.52 -4.90 117.00 113.63 2kua n LEU 148 Ca -0.02 -3.43 0.00 0.00 -0.00 0.00 0.00 56.01 52.56 2kua n LEU 148 Cb 0.19 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 2kua n LEU 148 CO 0.10 0.98 0.00 0.61 -0.00 0.00 0.00 177.39 179.09 2kua n GLY 149 N -0.81 3.24 3.41 1.47 0.00 0.11 -4.61 105.19 108.00 2kua n GLY 149 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.52 -1.77 0.56 -0.02 0.00 -0.24 -2.88 105.19 99.33 2kua n GLY 150 Ca 0.00 -1.24 0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.28 0.00 -0.05 1.61 5.03 -1.26 0.18 117.44 120.66 2kua n TRP 151 Ca 0.00 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.42 2kua n TRP 151 Cb 0.24 -0.34 -0.06 0.00 -1.03 0.00 0.00 31.31 30.12 2kua n TRP 151 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 2kua h ASP 152 N 0.00 0.29 0.20 -0.99 5.19 -1.94 -2.88 116.42 116.29 2kua h ASP 152 Ca 0.65 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 2kua h ASP 152 Cb 3.01 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 42.43 2kua h ASP 152 CO -0.01 0.51 -0.15 1.23 -3.12 0.00 0.00 179.24 177.71 2kua h GLY 153 N 0.05 0.00 0.73 2.75 0.00 0.21 -2.80 103.07 104.02 2kua h GLY 153 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2kua h GLY 153 CO 0.01 0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.71 2kua h PHE 154 N 0.00 -0.21 -0.77 5.60 3.57 -1.32 1.06 116.94 124.87 2kua h PHE 154 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2kua h PHE 154 Cb 0.29 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 2kua h PHE 154 CO 0.00 0.07 0.45 0.00 -2.23 0.00 0.00 178.31 176.61 2kua h ARG 156 N 0.82 0.00 -0.28 0.00 1.12 -1.44 -1.04 114.38 113.56 2kua h ARG 156 Ca 0.34 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 59.14 2kua h ARG 156 Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 2kua h ARG 156 CO -0.19 0.66 -0.13 0.35 -3.11 0.00 0.00 179.97 177.56 2kua h PHE 157 N 0.00 0.67 -0.56 2.20 3.57 0.22 -3.06 116.94 119.98 2kua h PHE 157 Ca -0.01 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.33 2kua h PHE 157 Cb 1.49 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2kua h PHE 157 CO 0.00 0.82 0.00 1.19 -2.23 0.00 0.00 178.31 178.09 2kua n PHE 158 N -4.44 0.74 -2.55 0.41 3.01 -0.09 -5.03 117.46 109.52 2kua n PHE 158 Ca -0.03 -0.37 -0.02 0.00 1.01 0.00 0.00 57.45 58.03 2kua n PHE 158 Cb 0.36 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.81 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 1.48 -3.26 -2.47 -1.08 4.01 -0.51 -4.91 118.16 111.42 2kua n LYS 159 Ca 0.22 2.48 -0.35 0.00 -0.51 0.00 0.00 58.31 60.14 2kua n LYS 159 Cb 0.59 -3.27 -0.03 0.00 -0.51 0.00 0.00 35.03 31.81 2kua n LYS 159 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2kua s ASN 160 N -0.39 6.33 0.04 4.39 3.84 -0.52 -4.98 114.94 123.66 2kua s ASN 160 Ca -0.10 2.04 -0.20 0.00 0.21 0.00 0.00 52.86 54.81 2kua s ASN 160 Cb 0.01 -2.58 -0.14 0.00 -0.55 0.00 0.00 41.25 37.99 2kua s ASN 160 CO 0.28 -0.79 1.35 1.55 -2.79 0.00 0.00 177.10 176.70 2kua h PRO 161 N 1.81 0.37 -7.22 0.43 0.13 -1.91 -3.45 132.00 122.15 2kua h PRO 161 Ca -0.49 -0.19 -0.52 0.00 -0.87 0.00 0.00 66.00 63.92 2kua h PRO 161 Cb 1.23 0.01 0.20 0.00 0.13 0.00 0.00 31.00 32.57 2kua h PRO 161 CO 0.60 0.75 0.17 1.28 -0.23 0.00 0.00 178.00 180.56 2kua n LEU 162 N -4.55 3.16 -0.02 1.56 7.99 -1.26 -4.96 117.00 118.93 2kua n LEU 162 Ca -0.06 0.43 -0.13 0.00 -0.01 0.00 0.00 56.01 56.24 2kua n LEU 162 Cb 0.37 -1.46 -0.09 0.00 -0.11 0.00 0.00 43.42 42.12 2kua n LEU 162 CO 0.39 -2.23 0.63 1.55 -1.51 0.00 0.00 177.39 176.22 2kua h PRO 163 N -1.76 0.07 0.00 3.23 0.13 -2.05 -3.45 132.00 128.16 2kua h PRO 163 Ca -0.43 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2kua h PRO 163 Cb 1.27 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.47 2kua h PRO 163 CO 0.41 0.53 -0.05 1.28 -0.23 0.00 0.00 178.00 179.95 2kua n LEU 164 N -4.80 0.00 0.00 1.56 7.99 -1.26 -5.12 117.00 115.37 2kua n LEU 164 Ca -0.08 -0.24 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 2kua n LEU 164 Cb 0.27 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 2kua n LEU 164 CO 0.35 -1.86 0.00 0.61 -1.51 0.00 0.00 177.39 174.98