#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4c h PHE 2 N 0.00 1.16 -0.57 -2.53 0.05 -1.87 0.90 116.94 114.08 2h4c h PHE 2 Ca 0.00 -0.13 0.09 0.00 3.82 0.00 0.00 57.97 61.75 2h4c h PHE 2 Cb 0.00 -0.33 -0.11 0.00 2.00 0.00 0.00 35.95 37.51 2h4c h PHE 2 CO 0.00 0.93 -0.42 0.74 -0.18 0.00 0.00 178.31 179.39 2h4c h PHE 3 N 1.06 -1.21 -0.79 -0.55 0.04 -1.99 0.90 116.94 114.39 2h4c h PHE 3 Ca 0.23 0.08 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 2h4c h PHE 3 Cb 0.33 0.61 -0.04 0.00 2.20 0.00 0.00 35.95 39.06 2h4c h PHE 3 CO 0.03 -0.42 0.38 1.96 -0.60 0.00 0.00 178.31 179.66 2h4c h GLN 4 N -0.22 1.13 -0.30 1.51 4.20 -1.83 -2.86 115.11 116.73 2h4c h GLN 4 Ca 0.19 -0.16 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 2h4c h GLN 4 Cb 0.56 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2h4c h GLN 4 CO -0.68 0.87 -0.39 0.35 -0.67 0.00 0.00 178.83 178.31 2h4c h PHE 5 N 1.11 0.85 -0.13 2.96 3.57 0.13 -3.10 116.94 122.32 2h4c h PHE 5 Ca 0.27 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2h4c h PHE 5 Cb 0.11 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2h4c h PHE 5 CO 0.01 0.99 0.04 0.00 -2.23 0.00 0.00 178.31 177.12 2h4c h ALA 6 N 0.97 0.17 0.00 2.41 0.00 0.82 -2.37 119.26 121.27 2h4c h ALA 6 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2h4c h ALA 6 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2h4c h ALA 6 CO 0.08 -0.20 0.04 0.93 0.00 0.00 0.00 179.25 180.10 2h4c h GLU 7 N 0.02 0.00 0.13 0.00 3.07 -1.53 0.12 114.58 116.39 2h4c h GLU 7 Ca 0.04 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.58 2h4c h GLU 7 Cb 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2h4c h GLU 7 CO -0.00 0.00 -1.59 0.52 -1.40 0.00 0.00 179.01 176.54 2h4c h MET 8 N 0.00 0.28 -0.04 2.33 2.86 -1.36 -3.11 114.93 115.89 2h4c h MET 8 Ca 0.00 -0.49 -0.17 0.00 -2.06 0.00 0.00 59.70 56.98 2h4c h MET 8 Cb 0.08 0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2h4c h MET 8 CO 0.00 1.16 -0.66 0.82 1.06 0.00 0.00 176.91 179.29 2h4c h ILE 9 N 0.08 1.38 0.00 -1.22 2.04 -1.06 -2.97 117.51 115.75 2h4c h ILE 9 Ca -0.27 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2h4c h ILE 9 Cb 2.04 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 40.53 2h4c h ILE 9 CO 0.17 0.60 0.00 0.52 0.00 0.00 0.00 178.15 179.44 2h4c n VAL 10 N -4.15 0.00 -2.23 1.67 0.31 0.35 -0.86 118.33 113.42 2h4c n VAL 10 Ca -0.10 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2h4c n VAL 10 Cb 0.69 -0.32 0.07 0.00 -0.91 0.00 0.00 33.84 33.38 2h4c n VAL 10 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2h4c n LYS 11 N -0.49 0.44 0.00 5.55 4.76 -1.12 -4.28 118.16 123.02 2h4c n LYS 11 Ca 0.00 -2.34 0.00 0.00 -2.87 0.00 0.00 58.31 53.10 2h4c n LYS 11 Cb 0.00 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 2h4c n LYS 11 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2h4c n MET 12 N 0.03 1.54 -3.62 1.97 1.56 -0.33 -5.00 117.12 113.27 2h4c n MET 12 Ca 0.09 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.23 2h4c n MET 12 Cb 1.01 -0.22 -0.12 0.00 2.15 0.00 0.00 33.22 36.04 2h4c n MET 12 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2h4c s THR 13 N -0.42 1.01 0.00 1.12 2.01 -0.04 -4.77 115.64 114.55 2h4c s THR 13 Ca 0.00 -2.38 0.00 0.00 0.31 0.00 0.00 61.69 59.62 2h4c s THR 13 Cb 0.00 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2h4c s THR 13 CO 0.00 -0.95 0.00 0.61 -0.69 0.00 0.00 174.62 173.59 2h4c n GLY 14 N 3.58 3.28 2.69 4.40 0.00 -1.26 -4.16 105.19 113.72 2h4c n GLY 14 Ca 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 2h4c n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h4c n LYS 16 N 14.00 1.22 0.00 1.61 5.02 -1.26 -4.30 118.16 134.45 2h4c n LYS 16 Ca 0.00 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 2h4c n LYS 16 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2h4c n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2h4c n GLU 17 N -0.20 0.00 0.26 1.97 2.13 -1.26 -5.00 120.64 118.53 2h4c n GLU 17 Ca 0.07 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.01 2h4c n GLU 17 Cb 0.82 0.00 0.69 0.00 0.27 0.00 0.00 31.44 33.22 2h4c n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2h4c h ALA 18 N 0.00 1.26 -1.59 4.31 0.00 -1.83 -3.40 119.26 118.01 2h4c h ALA 18 Ca 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.29 2h4c h ALA 18 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2h4c h ALA 18 CO 0.00 0.17 1.46 0.08 0.00 0.00 0.00 179.25 180.96 2h4c s VAL 19 N -4.14 3.22 0.00 0.00 1.01 -1.26 -2.45 120.40 116.78 2h4c s VAL 19 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2h4c s VAL 19 Cb 0.13 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2h4c s VAL 19 CO 0.59 -0.48 0.00 1.57 0.00 0.00 0.00 175.10 176.78 2h4c n HIS 20 N 13.72 0.00 -0.27 5.22 -0.00 -1.26 -4.89 115.22 127.74 2h4c n HIS 20 Ca 0.27 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 58.07 2h4c n HIS 20 Cb 0.52 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.72 2h4c n HIS 20 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2h4c h SER 21 N 0.00 -0.18 0.18 0.26 0.02 -1.80 -1.35 113.55 110.67 2h4c h SER 21 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2h4c h SER 21 Cb 0.00 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2h4c h SER 21 CO 0.00 -0.15 -0.44 -1.22 -1.14 0.00 0.00 176.83 173.89 2h4c n TYR 22 N -5.28 0.00 0.31 3.45 4.01 -1.02 -4.13 117.16 114.50 2h4c n TYR 22 Ca 0.16 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.09 2h4c n TYR 22 Cb 0.53 -0.09 0.97 0.00 -0.31 0.00 0.00 39.34 40.44 2h4c n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h4c h ALA 23 N 3.56 1.05 -0.73 -0.72 0.00 -1.42 -3.14 119.26 117.87 2h4c h ALA 23 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2h4c h ALA 23 Cb 0.58 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.18 2h4c h ALA 23 CO 0.00 0.02 -0.34 -1.50 0.00 0.00 0.00 179.25 177.43 2h4c s ILE 24 N -4.00 -0.73 0.35 0.00 2.07 -1.25 -2.35 121.20 115.29 2h4c s ILE 24 Ca -0.03 -0.10 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 2h4c s ILE 24 Cb 0.12 0.00 -0.04 0.00 0.13 0.00 0.00 42.46 42.66 2h4c s ILE 24 CO 0.48 0.00 0.10 -0.47 -1.91 0.00 0.00 174.94 173.14 2h4c s TYR 25 N 1.76 1.81 0.00 3.50 6.14 -1.26 0.26 117.35 129.56 2h4c s TYR 25 Ca 0.17 -1.15 0.00 0.00 0.64 0.00 0.00 57.07 56.73 2h4c s TYR 25 Cb -0.01 -1.16 0.00 0.00 0.42 0.00 0.00 41.96 41.21 2h4c s TYR 25 CO -0.09 -0.19 0.00 0.41 0.64 0.00 0.00 175.55 176.31 2h4c n GLY 26 N -0.75 0.59 0.00 8.97 0.00 -0.98 -2.97 105.19 110.05 2h4c n GLY 26 Ca -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.00 2h4c n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h4c n TYR 28 N -1.62 0.00 -0.03 0.00 4.01 -1.25 0.24 117.16 118.52 2h4c n TYR 28 Ca -0.01 -0.56 -0.22 0.00 -0.16 0.00 0.00 57.90 56.96 2h4c n TYR 28 Cb 0.21 -0.09 -0.13 0.00 -0.31 0.00 0.00 39.34 39.02 2h4c n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2h4c n GLY 30 N 1.77 2.36 3.07 0.00 0.00 -1.19 -4.62 105.19 106.59 2h4c n GLY 30 Ca -0.30 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2h4c n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2h4c n TRP 31 N 0.00 3.20 0.00 1.61 7.02 -0.99 -4.55 117.44 123.73 2h4c n TRP 31 Ca 0.00 -2.48 0.00 0.00 -1.02 0.00 0.00 57.50 54.00 2h4c n TRP 31 Cb 0.00 -2.34 0.00 0.00 -2.42 0.00 0.00 31.31 26.55 2h4c n TRP 31 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2h4c n GLY 32 N 4.63 2.64 0.54 6.99 0.00 -1.26 -5.01 105.19 113.71 2h4c n GLY 32 Ca 0.50 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2h4c n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h4c n GLY 33 N 0.00 0.84 3.58 -0.02 0.00 0.14 -4.99 105.19 104.73 2h4c n GLY 33 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 2h4c n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2h4c s GLN 34 N -2.12 0.61 0.00 1.61 0.74 -1.11 -4.96 119.66 114.43 2h4c s GLN 34 Ca 0.00 1.24 0.00 0.00 0.05 0.00 0.00 55.36 56.65 2h4c s GLN 34 Cb 0.00 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.46 2h4c s GLN 34 CO 0.00 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 2h4c n GLY 35 N 4.71 0.04 3.17 2.59 0.00 -0.95 -4.61 105.19 110.15 2h4c n GLY 35 Ca -0.17 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 2h4c n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h4c s LYS 36 N 0.00 2.17 -0.28 1.61 -2.85 -1.22 -2.62 119.74 116.55 2h4c s LYS 36 Ca 0.00 -0.71 -0.36 0.00 -1.00 0.00 0.00 55.97 53.90 2h4c s LYS 36 Cb 0.00 -1.81 -0.16 0.00 -2.06 0.00 0.00 37.83 33.80 2h4c s LYS 36 CO 0.00 0.25 1.15 -2.30 0.10 0.00 0.00 175.35 174.55 2h4c n PRO 37 N 3.23 0.00 0.04 1.78 -0.02 -1.26 -4.77 135.00 133.99 2h4c n PRO 37 Ca -0.19 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.43 2h4c n PRO 37 Cb 0.53 -1.20 0.53 0.00 -0.02 0.00 0.00 33.50 33.33 2h4c n PRO 37 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2h4c n GLN 38 N 2.59 0.09 -3.46 -0.52 6.02 -1.26 -4.80 117.38 116.04 2h4c n GLN 38 Ca 0.22 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2h4c n GLN 38 Cb -0.01 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.64 2h4c n GLN 38 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2h4c n ASP 39 N -1.77 0.00 0.00 1.08 5.68 -1.26 -4.96 116.55 115.32 2h4c n ASP 39 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 2h4c n ASP 39 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2h4c n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2h4c n ALA 40 N 0.00 0.00 -0.32 2.12 0.00 -1.26 0.12 120.51 121.16 2h4c n ALA 40 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 2h4c n ALA 40 Cb 0.00 0.35 0.55 0.00 0.00 0.00 0.00 19.45 20.35 2h4c n ALA 40 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2h4c h THR 41 N 0.00 0.09 0.03 0.00 2.02 -1.88 -0.35 112.91 112.82 2h4c h THR 41 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2h4c h THR 41 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 2h4c h THR 41 CO 0.00 0.02 -0.01 -0.78 0.37 0.00 0.00 175.52 175.12 2h4c h ASP 42 N 0.10 -0.03 -0.23 4.18 3.58 0.49 0.88 116.42 125.38 2h4c h ASP 42 Ca 0.81 -0.60 0.07 0.00 0.42 0.00 0.00 57.03 57.73 2h4c h ASP 42 Cb 2.06 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 43.11 2h4c h ASP 42 CO -0.72 0.60 0.29 0.03 -2.88 0.00 0.00 179.24 176.56 2h4c h ARG 43 N -0.68 0.00 0.16 0.28 2.47 0.16 0.49 114.38 117.26 2h4c h ARG 43 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2h4c h ARG 43 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2h4c h ARG 43 CO 0.01 0.00 -0.08 0.00 0.56 0.00 0.00 179.97 180.46 2h4c h PHE 46 N 0.32 -0.78 -0.18 0.00 3.57 -0.10 -3.13 116.94 116.64 2h4c h PHE 46 Ca 0.54 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.07 2h4c h PHE 46 Cb 1.50 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 2h4c h PHE 46 CO -0.00 -0.48 0.32 0.28 -2.23 0.00 0.00 178.31 176.20 2h4c h VAL 47 N -1.14 0.23 0.09 1.41 2.07 0.13 -2.26 116.25 116.78 2h4c h VAL 47 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2h4c h VAL 47 Cb 0.64 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2h4c h VAL 47 CO 0.14 0.00 -0.04 -0.74 0.02 0.00 0.00 177.57 176.95 2h4c h HIS 48 N 0.00 -0.11 0.00 1.57 -0.00 -0.59 -2.70 115.15 113.31 2h4c h HIS 48 Ca 0.09 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 2h4c h HIS 48 Cb 0.73 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.17 2h4c h HIS 48 CO 0.00 0.28 -0.08 -0.44 -0.00 0.00 0.00 177.93 177.69 2h4c h ASP 49 N -0.54 0.00 0.25 3.26 3.32 -1.39 0.91 116.42 122.24 2h4c h ASP 49 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2h4c h ASP 49 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2h4c h ASP 49 CO 0.02 0.08 -0.12 0.00 -1.72 0.00 0.00 179.24 177.50 2h4c h TYR 52 N 0.02 -0.04 -0.35 0.00 -1.99 -0.77 -3.25 116.97 110.59 2h4c h TYR 52 Ca 0.60 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.40 2h4c h TYR 52 Cb 1.27 0.01 -0.09 0.00 2.00 0.00 0.00 36.73 39.92 2h4c h TYR 52 CO -0.46 0.31 -0.37 0.78 -0.00 0.00 0.00 178.16 178.43 2h4c h GLY 53 N -0.39 -0.41 1.19 3.88 0.00 0.70 -2.33 103.07 105.71 2h4c h GLY 53 Ca -0.00 0.47 0.11 0.00 0.00 0.00 0.00 47.33 47.91 2h4c h GLY 53 CO 0.01 -0.20 0.30 -0.91 0.00 0.00 0.00 176.54 175.73 2h4c h THR 54 N -0.31 0.82 -2.06 4.70 1.35 -0.40 -3.39 112.91 113.61 2h4c h THR 54 Ca 0.15 -0.02 -0.56 0.00 -0.55 0.00 0.00 66.41 65.43 2h4c h THR 54 Cb 0.56 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2h4c h THR 54 CO -0.52 0.01 1.47 -0.69 -0.25 0.00 0.00 175.52 175.53 2h4c s VAL 55 N -5.08 3.13 -0.27 6.82 1.01 -0.88 -4.71 120.40 120.42 2h4c s VAL 55 Ca -0.05 0.12 0.12 0.00 0.00 0.00 0.00 61.98 62.17 2h4c s VAL 55 Cb 0.19 -3.20 -0.16 0.00 0.00 0.00 0.00 36.38 33.21 2h4c s VAL 55 CO 0.72 -0.15 0.38 0.59 0.00 0.00 0.00 175.10 176.64 2h4c n ASN 56 N 12.29 1.43 -0.06 3.32 3.02 -1.26 -4.59 115.26 129.41 2h4c n ASN 56 Ca 0.29 -0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.33 2h4c n ASN 56 Cb 0.48 1.29 -0.07 0.00 -0.61 0.00 0.00 39.78 40.87 2h4c n ASN 56 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2h4c h ASP 58 N 0.00 0.61 -2.60 6.41 3.32 -1.96 -3.47 116.42 118.72 2h4c h ASP 58 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2h4c h ASP 58 Cb 0.42 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2h4c h ASP 58 CO 0.00 1.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 2h4c s ASN 61 N -0.65 5.13 0.39 0.00 0.01 -1.26 -4.98 114.94 113.59 2h4c s ASN 61 Ca 0.00 -2.68 0.23 0.00 -0.71 0.00 0.00 52.86 49.70 2h4c s ASN 61 Cb 0.00 -1.82 1.30 0.00 0.41 0.00 0.00 41.25 41.14 2h4c s ASN 61 CO 0.00 -0.39 1.63 -0.65 -1.51 0.00 0.00 177.10 176.18 2h4c h PRO 68 N 7.21 0.15 0.00 -0.60 0.11 -1.87 0.67 132.00 137.66 2h4c h PRO 68 Ca -0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2h4c h PRO 68 Cb 0.97 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2h4c h PRO 68 CO 0.70 0.10 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.34 2h4c h LYS 69 N 0.15 0.00 0.00 1.05 3.64 -1.96 -3.23 116.57 116.22 2h4c h LYS 69 Ca 0.79 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.93 2h4c h LYS 69 Cb 2.19 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.97 2h4c h LYS 69 CO -0.54 0.02 -1.92 -0.12 -2.27 0.00 0.00 179.45 174.62 2h4c n MET 70 N -3.11 0.91 -1.58 1.90 1.56 0.16 -4.32 117.12 112.63 2h4c n MET 70 Ca 0.03 0.06 -0.56 0.00 -0.27 0.00 0.00 57.70 56.96 2h4c n MET 70 Cb 0.46 -1.33 -0.07 0.00 2.15 0.00 0.00 33.22 34.42 2h4c n MET 70 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2h4c n ALA 71 N -2.81 -1.87 -3.69 -5.12 0.00 0.18 -4.49 120.51 102.71 2h4c n ALA 71 Ca -0.27 0.53 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 2h4c n ALA 71 Cb 0.85 -1.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 2h4c n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2h4c s THR 72 N 0.81 3.25 0.51 0.00 2.01 -1.26 0.35 115.64 121.31 2h4c s THR 72 Ca 0.90 -1.81 0.08 0.00 0.31 0.00 0.00 61.69 61.17 2h4c s THR 72 Cb -1.12 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 68.34 2h4c s THR 72 CO 0.55 -0.50 0.69 -0.72 -0.69 0.00 0.00 174.62 173.96 2h4c s TYR 73 N 1.19 2.16 -0.12 4.92 -0.85 -1.26 -5.05 117.35 118.34 2h4c s TYR 73 Ca 0.04 -0.51 -0.03 0.00 -0.52 0.00 0.00 57.07 56.05 2h4c s TYR 73 Cb -0.22 -2.36 -0.03 0.00 0.38 0.00 0.00 41.96 39.74 2h4c s TYR 73 CO -0.03 -0.81 -0.02 -1.12 -1.52 0.00 0.00 175.55 172.05 2h4c s SER 74 N -4.51 4.98 0.22 -0.18 0.01 -1.26 -5.03 113.70 107.93 2h4c s SER 74 Ca 0.59 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.72 2h4c s SER 74 Cb -0.08 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 2h4c s SER 74 CO 0.36 0.26 0.41 -0.72 0.41 0.00 0.00 173.24 173.96 2h4c s TYR 75 N -0.18 0.38 -0.18 2.43 1.13 -1.26 -0.02 117.35 119.65 2h4c s TYR 75 Ca 0.04 -0.73 -0.18 0.00 -1.41 0.00 0.00 57.07 54.79 2h4c s TYR 75 Cb -0.13 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 40.87 2h4c s TYR 75 CO 0.02 -0.89 0.50 -1.54 -2.51 0.00 0.00 175.55 171.13 2h4c s SER 76 N -3.00 -0.51 -0.74 -0.18 1.04 -0.14 -4.91 113.70 105.25 2h4c s SER 76 Ca 0.21 0.97 -0.12 0.00 0.48 0.00 0.00 55.95 57.48 2h4c s SER 76 Cb 0.01 0.98 0.19 0.00 0.10 0.00 0.00 66.02 67.30 2h4c s SER 76 CO 0.06 -0.20 0.66 0.12 0.98 0.00 0.00 173.24 174.86 2h4c s PHE 77 N 0.17 3.62 -0.25 5.02 5.36 -1.26 -0.62 117.98 130.02 2h4c s PHE 77 Ca -0.01 -2.00 0.01 0.00 -0.96 0.00 0.00 56.93 53.97 2h4c s PHE 77 Cb -0.03 -3.70 0.06 0.00 -0.34 0.00 0.00 43.02 39.01 2h4c s PHE 77 CO 0.01 -0.97 -0.05 -1.83 -1.46 0.00 0.00 175.22 170.92 2h4c s GLU 78 N 0.39 1.69 0.00 10.12 -1.05 -0.59 -4.70 118.70 124.56 2h4c s GLU 78 Ca 0.15 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.84 2h4c s GLU 78 Cb -0.15 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2h4c s GLU 78 CO -0.06 -0.64 0.00 -1.71 0.95 0.00 0.00 175.26 173.80 2h4c n ASN 79 N 4.60 0.00 0.00 0.83 4.05 -1.26 -3.75 115.26 119.73 2h4c n ASN 79 Ca -0.11 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.92 2h4c n ASN 79 Cb 0.43 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.44 2h4c n ASN 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2h4c n GLY 80 N -2.00 1.07 3.28 8.20 0.00 -1.26 -5.08 105.19 109.40 2h4c n GLY 80 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2h4c n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h4c s ASP 81 N -2.03 3.04 -0.23 1.61 3.68 -1.25 -5.12 116.67 116.38 2h4c s ASP 81 Ca 0.00 -0.49 -0.13 0.00 2.13 0.00 0.00 52.55 54.06 2h4c s ASP 81 Cb 0.00 -0.62 -0.04 0.00 -1.45 0.00 0.00 42.92 40.81 2h4c s ASP 81 CO 0.00 0.28 0.28 -0.63 0.13 0.00 0.00 175.17 175.23 2h4c s ILE 82 N -0.36 5.27 0.07 4.11 1.01 -1.26 -1.54 121.20 128.50 2h4c s ILE 82 Ca 0.02 0.44 0.09 0.00 0.00 0.00 0.00 60.65 61.20 2h4c s ILE 82 Cb -0.12 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2h4c s ILE 82 CO 0.02 0.27 -0.22 -0.69 0.00 0.00 0.00 174.94 174.32 2h4c s VAL 83 N 1.37 2.52 -0.13 2.92 1.01 0.21 -4.97 120.40 123.33 2h4c s VAL 83 Ca 0.13 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 2h4c s VAL 83 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2h4c s VAL 83 CO 0.07 0.26 0.13 0.00 0.00 0.00 0.00 175.10 175.56 2h4c n GLY 85 N 2.25 2.94 3.83 0.00 0.00 0.97 -4.95 105.19 110.22 2h4c n GLY 85 Ca -0.19 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2h4c n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h4c s ASP 86 N -1.01 6.92 -0.09 1.61 1.01 -1.25 -4.86 116.67 119.00 2h4c s ASP 86 Ca 0.07 1.10 -0.11 0.00 0.71 0.00 0.00 52.55 54.33 2h4c s ASP 86 Cb 0.04 -2.30 -0.28 0.00 1.01 0.00 0.00 42.92 41.39 2h4c s ASP 86 CO 0.05 0.26 0.52 -1.13 0.21 0.00 0.00 175.17 175.08 2h4c h ASN 88 N 4.40 0.47 0.00 0.27 -0.73 -1.95 -3.38 115.58 114.67 2h4c h ASN 88 Ca -0.50 -0.91 -0.57 0.00 1.87 0.00 0.00 56.30 56.19 2h4c h ASN 88 Cb 1.21 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 39.58 2h4c h ASN 88 CO 0.63 1.76 1.55 -3.20 -0.37 0.00 0.00 177.43 177.80 2h4c n ASN 89 N -3.67 0.44 -0.07 1.15 2.85 -1.26 -4.64 115.26 110.05 2h4c n ASN 89 Ca -0.28 0.34 0.21 0.00 -0.11 0.00 0.00 54.58 54.75 2h4c n ASN 89 Cb 1.01 -0.88 0.35 0.00 1.24 0.00 0.00 39.78 41.50 2h4c n ASN 89 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 2h4c h LEU 90 N 10.54 0.00 0.06 1.20 -0.00 -1.98 0.29 115.31 125.42 2h4c h LEU 90 Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.55 2h4c h LEU 90 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.94 2h4c h LEU 90 CO 1.24 0.00 -1.40 0.00 -0.00 0.00 0.00 178.44 178.28 2h4c h LEU 92 N -0.56 0.00 -0.20 0.00 4.07 -0.84 0.13 115.31 117.91 2h4c h LEU 92 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2h4c h LEU 92 Cb 1.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.32 2h4c h LEU 92 CO -0.05 0.08 0.00 1.17 -1.08 0.00 0.00 178.44 178.55 2h4c n LYS 93 N -3.99 0.16 -0.12 1.13 3.00 -0.27 -3.14 118.16 114.94 2h4c n LYS 93 Ca -0.03 0.24 -0.25 0.00 -0.00 0.00 0.00 58.31 58.27 2h4c n LYS 93 Cb 0.16 -1.73 -0.11 0.00 0.00 0.00 0.00 35.03 33.36 2h4c n LYS 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2h4c n THR 94 N -2.01 1.54 -0.34 3.15 -1.04 0.38 -2.73 114.28 113.23 2h4c n THR 94 Ca 0.05 -0.21 0.12 0.00 -2.04 0.00 0.00 64.05 61.97 2h4c n THR 94 Cb 0.32 -1.95 0.31 0.00 -1.82 0.00 0.00 70.33 67.19 2h4c n THR 94 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2h4c h VAL 95 N -0.94 0.68 0.14 12.58 2.07 -1.45 0.34 116.25 129.67 2h4c h VAL 95 Ca -0.51 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2h4c h VAL 95 Cb 1.48 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2h4c h VAL 95 CO -0.29 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.36 2h4c h GLU 97 N -0.53 0.79 0.42 0.00 4.57 -0.87 1.13 114.58 120.09 2h4c h GLU 97 Ca -0.02 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2h4c h GLU 97 Cb 0.42 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2h4c h GLU 97 CO 0.03 0.53 -0.20 0.00 -1.18 0.00 0.00 179.01 178.18 2h4c h ASP 99 N -0.78 0.47 0.01 0.00 5.19 -0.49 0.85 116.42 121.67 2h4c h ASP 99 Ca -0.06 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2h4c h ASP 99 Cb 0.53 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2h4c h ASP 99 CO 0.10 0.33 -0.06 -0.09 -3.12 0.00 0.00 179.24 176.39 2h4c h ARG 100 N 0.58 -0.08 -0.71 3.56 2.43 0.14 0.26 114.38 120.56 2h4c h ARG 100 Ca 0.20 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.54 2h4c h ARG 100 Cb 0.03 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.48 2h4c h ARG 100 CO -0.10 -0.06 0.03 0.00 -1.51 0.00 0.00 179.97 178.34 2h4c h ALA 101 N -1.41 0.76 -0.67 2.80 0.00 -0.87 -0.92 119.26 118.95 2h4c h ALA 101 Ca -0.00 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2h4c h ALA 101 Cb 0.09 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 2h4c h ALA 101 CO -0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.59 2h4c h ALA 102 N 1.65 0.32 0.00 0.00 0.00 0.13 0.40 119.26 121.76 2h4c h ALA 102 Ca 0.39 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2h4c h ALA 102 Cb 0.67 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2h4c h ALA 102 CO -0.61 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.16 2h4c n ALA 103 N -3.16 1.62 -0.07 0.00 0.00 -0.01 -0.69 120.51 118.20 2h4c n ALA 103 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 2h4c n ALA 103 Cb 0.36 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 2h4c n ALA 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2h4c n ILE 104 N -1.50 1.44 -0.04 0.00 5.41 0.10 -3.36 119.36 121.42 2h4c n ILE 104 Ca 0.03 -0.83 -0.13 0.00 1.00 0.00 0.00 62.75 62.83 2h4c n ILE 104 Cb 0.16 -0.67 -0.08 0.00 -0.71 0.00 0.00 39.64 38.34 2h4c n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2h4c n LEU 106 N -4.72 0.66 -0.03 0.00 4.77 0.13 -3.40 117.00 114.42 2h4c n LEU 106 Ca -0.07 0.65 -0.01 0.00 -0.03 0.00 0.00 56.01 56.56 2h4c n LEU 106 Cb 0.28 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2h4c n LEU 106 CO 0.36 -0.51 -0.06 1.23 -1.33 0.00 0.00 177.39 177.08 2h4c h GLY 107 N 2.50 0.00 0.55 -0.72 0.00 -1.51 -3.24 103.07 100.65 2h4c h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h4c h GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2h4c n GLN 108 N -3.65 0.19 0.00 4.80 6.02 -0.98 -1.89 117.38 121.87 2h4c n GLN 108 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2h4c n GLN 108 Cb 0.05 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.03 2h4c n GLN 108 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2h4c n ASN 109 N -0.77 0.93 0.25 1.08 3.02 -1.22 -4.79 115.26 113.75 2h4c n ASN 109 Ca 0.02 -1.36 0.10 0.00 -0.03 0.00 0.00 54.58 53.31 2h4c n ASN 109 Cb 0.01 0.00 0.52 0.00 -0.61 0.00 0.00 39.78 39.70 2h4c n ASN 109 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2h4c h VAL 110 N 0.99 0.00 0.00 2.41 -1.51 -1.40 0.15 116.25 116.89 2h4c h VAL 110 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2h4c h VAL 110 Cb 0.54 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2h4c h VAL 110 CO 0.00 0.00 -0.64 -0.46 -1.23 0.00 0.00 177.57 175.24 2h4c n ASN 111 N -2.43 0.64 0.09 4.19 0.23 -1.26 -3.41 115.26 113.30 2h4c n ASN 111 Ca -0.01 0.01 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 2h4c n ASN 111 Cb 0.40 0.24 0.13 0.00 -2.08 0.00 0.00 39.78 38.47 2h4c n ASN 111 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2h4c h THR 112 N 0.00 0.00 -1.59 5.53 2.02 -1.07 -3.46 112.91 114.33 2h4c h THR 112 Ca 0.00 -0.69 -0.72 0.00 0.77 0.00 0.00 66.41 65.77 2h4c h THR 112 Cb 0.69 1.30 0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2h4c h THR 112 CO 0.00 0.00 0.73 0.00 0.37 0.00 0.00 175.52 176.62 2h4c n TYR 113 N -2.38 1.84 -3.61 3.16 4.19 -1.21 -4.91 117.16 114.25 2h4c n TYR 113 Ca 0.02 0.58 -0.40 0.00 3.31 0.00 0.00 57.90 61.41 2h4c n TYR 113 Cb 0.48 -2.41 -0.10 0.00 0.49 0.00 0.00 39.34 37.80 2h4c n TYR 113 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2h4c s ASP 114 N 2.38 5.63 0.00 2.98 2.15 -1.26 -4.93 116.67 123.61 2h4c s ASP 114 Ca 0.93 -1.51 0.00 0.00 0.43 0.00 0.00 52.55 52.40 2h4c s ASP 114 Cb -1.03 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 39.61 2h4c s ASP 114 CO 0.59 -0.54 0.20 1.17 -0.17 0.00 0.00 175.17 176.42 2h4c n LYS 115 N 4.91 0.00 -0.10 4.34 4.81 -1.26 -0.61 118.16 130.25 2h4c n LYS 115 Ca -0.10 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.45 2h4c n LYS 115 Cb 0.43 -1.20 0.15 0.00 0.02 0.00 0.00 35.03 34.42 2h4c n LYS 115 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2h4c n ASN 116 N -0.70 3.05 -0.20 3.14 3.02 -1.26 -4.42 115.26 117.89 2h4c n ASN 116 Ca 0.00 -1.91 0.03 0.00 -0.03 0.00 0.00 54.58 52.67 2h4c n ASN 116 Cb 0.00 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 2h4c n ASN 116 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2h4c n TYR 117 N 1.25 0.00 -2.07 3.10 4.01 0.22 -5.05 117.16 118.62 2h4c n TYR 117 Ca 0.15 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.59 2h4c n TYR 117 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.58 2h4c n TYR 117 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2h4c s GLU 118 N -0.65 3.52 -1.17 -0.72 -1.05 -1.26 -2.32 118.70 115.06 2h4c s GLU 118 Ca 0.06 0.58 -0.17 0.00 -0.15 0.00 0.00 54.97 55.29 2h4c s GLU 118 Cb 0.05 -2.15 -0.01 0.00 -0.44 0.00 0.00 34.13 31.57 2h4c s GLU 118 CO 0.10 -0.51 0.77 0.09 0.95 0.00 0.00 175.26 176.65 2h4c n ASN 119 N -2.64 -4.70 -4.83 0.83 3.02 0.73 -4.91 115.26 102.75 2h4c n ASN 119 Ca 0.05 -0.98 -0.32 0.00 -0.03 0.00 0.00 54.58 53.29 2h4c n ASN 119 Cb 0.55 -3.53 -0.02 0.00 -0.61 0.00 0.00 39.78 36.16 2h4c n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2h4c s TYR 120 N -3.52 3.36 0.00 3.10 5.04 -1.25 -5.06 117.35 119.02 2h4c s TYR 120 Ca 0.40 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 2h4c s TYR 120 Cb -0.14 -2.84 0.00 0.00 0.35 0.00 0.00 41.96 39.34 2h4c s TYR 120 CO 0.85 -0.53 0.00 0.00 -1.34 0.00 0.00 175.55 174.53 2h4c n ALA 121 N -1.69 0.00 0.00 3.97 0.00 -1.26 -5.02 120.51 116.50 2h4c n ALA 121 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2h4c n ALA 121 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2h4c n ALA 121 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2h4c n ILE 122 N -0.31 0.00 0.18 0.00 3.06 -1.26 -4.92 119.36 116.10 2h4c n ILE 122 Ca 0.00 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.27 2h4c n ILE 122 Cb 0.00 0.00 0.32 0.00 0.54 0.00 0.00 39.64 40.50 2h4c n ILE 122 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 2h4c h SER 124 N 0.00 0.00 -0.26 9.51 0.87 -1.99 2.28 113.55 123.96 2h4c h SER 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2h4c h SER 124 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2h4c h SER 124 CO 0.00 0.43 0.00 1.41 -0.53 0.00 0.00 176.83 178.14 2h4c n HIS 125 N -4.00 0.35 -1.17 2.24 8.25 -1.26 -3.96 115.22 115.66 2h4c n HIS 125 Ca -0.02 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2h4c n HIS 125 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2h4c n HIS 125 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h4c n THR 127 N 0.00 0.43 -0.23 0.00 -2.24 0.75 -2.85 114.28 110.14 2h4c n THR 127 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2h4c n THR 127 Cb 0.23 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 2h4c n THR 127 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2h4c n GLU 128 N -0.99 -0.07 -2.27 -0.78 0.28 -1.26 -4.92 120.64 110.63 2h4c n GLU 128 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2h4c n GLU 128 Cb 0.06 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.90 2h4c n GLU 128 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2h4c s GLU 129 N -1.53 4.37 -1.04 3.44 1.03 -1.26 -3.79 118.70 119.92 2h4c s GLU 129 Ca 0.00 1.95 -0.18 0.00 0.03 0.00 0.00 54.97 56.77 2h4c s GLU 129 Cb 0.00 -3.28 0.12 0.00 -0.80 0.00 0.00 34.13 30.16 2h4c s GLU 129 CO 0.00 -0.36 1.32 -1.12 -1.33 0.00 0.00 175.26 173.77 2h4c s SER 130 N 1.05 6.72 0.13 0.83 0.01 -1.26 -2.24 113.70 118.94 2h4c s SER 130 Ca 0.62 -2.16 -0.20 0.00 1.31 0.00 0.00 55.95 55.51 2h4c s SER 130 Cb -0.34 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 63.32 2h4c s SER 130 CO 0.30 -1.10 0.40 -0.62 0.41 0.00 0.00 173.24 172.63 2h4c n GLU 131 N 7.01 0.00 -1.88 12.44 1.02 -1.08 -4.85 120.64 133.31 2h4c n GLU 131 Ca 0.31 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 2h4c n GLU 131 Cb 0.48 -0.73 0.06 0.00 -0.02 0.00 0.00 31.44 31.22 2h4c n GLU 131 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2h4c s GLN 132 N -0.65 2.61 0.00 3.49 1.11 -1.26 -5.02 119.66 119.93 2h4c s GLN 132 Ca 0.47 0.38 0.00 0.00 0.01 0.00 0.00 55.36 56.21 2h4c s GLN 132 Cb -0.68 -2.00 0.00 0.00 -1.01 0.00 0.00 33.01 29.32 2h4c s GLN 132 CO 0.40 -1.20 0.00 0.00 0.01 0.00 0.00 175.29 174.50