#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kae h LEU 5 N 0.00 0.00 0.87 -5.58 3.38 -2.00 -3.02 115.31 108.96 3kae h LEU 5 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kae h LEU 5 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kae h LEU 5 CO 0.00 0.00 -0.42 0.40 0.09 0.00 0.00 178.44 178.51 3kae h ILE 6 N 0.00 0.09 -0.94 1.22 1.08 -1.99 -0.91 117.51 116.06 3kae h ILE 6 Ca 0.04 -0.07 0.21 0.00 -0.39 0.00 0.00 64.86 64.65 3kae h ILE 6 Cb 0.16 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 33.93 3kae h ILE 6 CO -0.00 0.00 0.61 1.23 -0.69 0.00 0.00 178.15 179.31 3kae h GLY 7 N -1.23 1.05 1.60 5.37 0.00 -1.97 0.12 103.07 108.01 3kae h GLY 7 Ca -0.12 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 3kae h GLY 7 CO 0.20 -0.03 -0.64 0.50 0.00 0.00 0.00 176.54 176.57 3kae h LYS 8 N 0.46 0.41 -0.16 4.80 1.57 -1.47 -1.52 116.57 120.65 3kae h LYS 8 Ca 0.50 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3kae h LYS 8 Cb 1.17 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 3kae h LYS 8 CO -0.22 0.91 -0.08 0.82 -0.57 0.00 0.00 179.45 180.32 3kae h ILE 9 N 0.29 1.31 -0.61 1.86 2.04 0.61 -1.69 117.51 121.33 3kae h ILE 9 Ca -0.01 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.79 3kae h ILE 9 Cb 1.19 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 3kae h ILE 9 CO 0.11 0.33 0.31 0.00 0.00 0.00 0.00 178.15 178.91 3kae h LYS 11 N 0.58 0.68 -0.04 0.00 3.64 -1.17 -0.79 116.57 119.47 3kae h LYS 11 Ca 0.28 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 3kae h LYS 11 Cb 0.20 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3kae h LYS 11 CO -0.19 0.52 -0.76 0.77 -2.27 0.00 0.00 179.45 177.52 3kae h SER 12 N 0.69 0.34 0.14 4.20 0.02 -0.20 -2.05 113.55 116.69 3kae h SER 12 Ca 0.18 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3kae h SER 12 Cb 0.04 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3kae h SER 12 CO -0.03 0.98 -0.07 0.40 -1.14 0.00 0.00 176.83 176.98 3kae h ILE 13 N 0.19 1.00 -0.73 3.27 2.04 -0.52 0.37 117.51 123.12 3kae h ILE 13 Ca -0.03 -0.60 0.21 0.00 1.00 0.00 0.00 64.86 65.44 3kae h ILE 13 Cb 1.33 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 3kae h ILE 13 CO 0.12 0.14 0.57 -0.09 0.00 0.00 0.00 178.15 178.89 3kae h ARG 14 N -0.47 0.00 -0.02 2.37 2.43 -1.13 0.36 114.38 117.92 3kae h ARG 14 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kae h ARG 14 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3kae h ARG 14 CO 0.03 0.00 -0.01 0.66 -1.51 0.00 0.00 179.97 179.14 3kae n TYR 15 N -4.15 0.00 -1.68 2.20 4.02 -0.78 -4.92 117.16 111.85 3kae n TYR 15 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.88 3kae n TYR 15 Cb 0.84 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.11 3kae n TYR 15 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3kae n ARG 16 N 0.93 -1.13 -2.98 -0.72 5.12 0.13 -4.91 116.66 113.09 3kae n ARG 16 Ca 0.15 0.97 -0.44 0.00 -1.93 0.00 0.00 57.85 56.60 3kae n ARG 16 Cb 0.52 -5.19 -0.01 0.00 -1.16 0.00 0.00 32.46 26.62 3kae n ARG 16 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3kae s ASP 17 N -2.69 6.95 0.01 0.55 2.15 0.12 -4.85 116.67 118.91 3kae s ASP 17 Ca 0.00 -2.75 -0.06 0.00 0.43 0.00 0.00 52.55 50.17 3kae s ASP 17 Cb 0.00 -2.38 -0.30 0.00 -0.30 0.00 0.00 42.92 39.95 3kae s ASP 17 CO 0.00 -0.80 0.89 1.88 -0.17 0.00 0.00 175.17 176.97 3kae h TYR 18 N 7.64 0.59 -0.50 -5.34 0.05 -1.91 -3.05 116.97 114.44 3kae h TYR 18 Ca 0.25 -0.43 0.10 0.00 0.05 0.00 0.00 58.73 58.71 3kae h TYR 18 Cb 0.92 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.55 3kae h TYR 18 CO 1.09 1.45 -0.09 0.93 -1.05 0.00 0.00 178.16 180.49 3kae h GLU 19 N 0.09 0.03 -0.64 4.88 4.39 -1.95 0.32 114.58 121.70 3kae h GLU 19 Ca -0.25 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.49 3kae h GLU 19 Cb 2.05 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.65 3kae h GLU 19 CO 0.19 0.02 0.38 1.15 -1.16 0.00 0.00 179.01 179.59 3kae h THR 20 N 0.03 1.05 -0.57 1.13 2.02 -1.96 -0.43 112.91 114.17 3kae h THR 20 Ca 0.25 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 3kae h THR 20 Cb 0.38 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3kae h THR 20 CO -0.49 0.14 0.01 0.00 0.37 0.00 0.00 175.52 175.55 3kae h ALA 21 N 1.29 0.77 -0.31 6.16 0.00 -1.09 0.21 119.26 126.29 3kae h ALA 21 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kae h ALA 21 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kae h ALA 21 CO -0.13 0.59 0.20 0.82 0.00 0.00 0.00 179.25 180.73 3kae h ILE 22 N 0.89 1.10 0.28 0.00 2.04 -0.16 0.28 117.51 121.94 3kae h ILE 22 Ca 0.16 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3kae h ILE 22 Cb 0.53 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3kae h ILE 22 CO 0.03 0.09 -0.14 0.15 0.00 0.00 0.00 178.15 178.29 3kae h PHE 23 N 0.41 -0.35 0.00 1.37 3.04 -0.73 0.14 116.94 120.82 3kae h PHE 23 Ca 0.11 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3kae h PHE 23 Cb -0.02 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 3kae h PHE 23 CO -0.05 -0.16 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.00 3kae h LEU 24 N -0.46 0.00 -0.12 0.59 3.38 -0.59 -1.45 115.31 116.66 3kae h LEU 24 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3kae h LEU 24 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kae h LEU 24 CO 0.06 0.01 -0.55 0.00 0.09 0.00 0.00 178.44 178.05 3kae h ALA 25 N 1.99 0.22 -0.77 1.53 0.00 -0.43 -2.99 119.26 118.82 3kae h ALA 25 Ca -0.00 -0.52 0.12 0.00 0.00 0.00 0.00 54.91 54.51 3kae h ALA 25 Cb 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3kae h ALA 25 CO 0.00 0.44 0.51 0.00 0.00 0.00 0.00 179.25 180.20 3kae h ALA 26 N 0.49 1.91 0.00 0.00 0.00 0.30 0.00 119.26 121.96 3kae h ALA 26 Ca -0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3kae h ALA 26 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kae h ALA 26 CO 0.11 -0.09 -0.48 0.00 0.00 0.00 0.00 179.25 178.80 3kae h LEU 28 N 0.00 0.00 -0.83 0.00 5.85 -0.87 -3.36 115.31 116.11 3kae h LEU 28 Ca -0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.88 3kae h LEU 28 Cb 0.87 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 3kae h LEU 28 CO 0.06 0.81 -0.20 0.18 -0.34 0.00 0.00 178.44 178.95 3kae n LEU 29 N -3.17 -0.30 0.28 2.25 4.77 -0.89 -1.85 117.00 118.09 3kae n LEU 29 Ca -0.05 1.42 -0.11 0.00 -0.03 0.00 0.00 56.01 57.24 3kae n LEU 29 Cb 0.90 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3kae n LEU 29 CO 0.44 -1.36 0.37 -0.65 -1.33 0.00 0.00 177.39 174.86 3kae h PRO 30 N 0.00 -0.70 -0.16 3.23 0.11 -1.81 -3.28 132.00 129.38 3kae h PRO 30 Ca 0.40 0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.57 3kae h PRO 30 Cb 0.61 0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 3kae h PRO 30 CO -0.85 -0.47 -0.18 0.00 -0.21 0.00 0.00 178.00 176.29 3kae s LYS 32 N -3.83 1.31 0.54 0.00 0.00 -0.77 -4.99 119.74 112.00 3kae s LYS 32 Ca -0.04 -1.93 0.31 0.00 0.00 0.00 0.00 55.97 54.31 3kae s LYS 32 Cb 0.03 -2.50 1.54 0.00 0.00 0.00 0.00 37.83 36.89 3kae s LYS 32 CO 0.20 -1.10 2.08 -1.35 0.00 0.00 0.00 175.35 175.17 3kae h PRO 33 N 7.00 0.00 -0.94 1.78 0.11 -1.77 -3.16 132.00 135.01 3kae h PRO 33 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3kae h PRO 33 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kae h PRO 33 CO 0.51 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.54 3kae n GLU 34 N -3.41 0.51 0.00 1.05 0.00 -1.26 -2.41 120.64 115.13 3kae n GLU 34 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3kae n GLU 34 Cb 0.25 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.43 3kae n GLU 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3kae n TYR 35 N 0.46 0.00 0.27 -1.84 4.01 -1.20 -4.73 117.16 114.14 3kae n TYR 35 Ca 0.00 -0.19 0.15 0.00 -0.16 0.00 0.00 57.90 57.70 3kae n TYR 35 Cb 0.19 -0.02 0.76 0.00 -0.31 0.00 0.00 39.34 39.96 3kae n TYR 35 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kae h ARG 36 N 0.00 0.00 -0.18 -0.72 2.43 -1.75 -1.51 114.38 112.65 3kae h ARG 36 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3kae h ARG 36 Cb 0.79 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3kae h ARG 36 CO 0.00 0.08 0.10 1.98 -1.51 0.00 0.00 179.97 180.63 3kae h MET 37 N 0.00 0.21 -0.81 0.20 4.05 -1.86 -2.05 114.93 114.68 3kae h MET 37 Ca -0.00 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.50 3kae h MET 37 Cb 0.39 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.07 3kae h MET 37 CO 0.01 0.14 0.46 1.25 0.23 0.00 0.00 176.91 179.00 3kae h LEU 38 N 0.22 0.65 -0.30 3.39 5.85 -1.62 0.31 115.31 123.81 3kae h LEU 38 Ca 0.07 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kae h LEU 38 Cb -0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3kae h LEU 38 CO -0.03 0.38 0.19 -0.03 -0.34 0.00 0.00 178.44 178.60 3kae h MET 39 N 0.77 0.40 -0.52 1.25 4.05 -1.43 -1.39 114.93 118.06 3kae h MET 39 Ca 0.39 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.82 3kae h MET 39 Cb 0.34 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.01 3kae h MET 39 CO -0.24 0.29 0.26 0.77 0.23 0.00 0.00 176.91 178.22 3kae h SER 40 N 0.39 0.37 0.52 1.39 0.02 -0.29 -1.44 113.55 114.51 3kae h SER 40 Ca 0.11 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3kae h SER 40 Cb -0.01 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.50 3kae h SER 40 CO -0.02 0.25 -0.25 0.40 -1.14 0.00 0.00 176.83 176.07 3kae h ILE 41 N 0.50 0.45 -0.62 3.27 2.04 -0.75 0.04 117.51 122.44 3kae h ILE 41 Ca 0.23 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.97 3kae h ILE 41 Cb 0.14 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3kae h ILE 41 CO -0.16 0.04 0.41 0.58 0.00 0.00 0.00 178.15 179.02 3kae h VAL 42 N -0.84 0.90 -0.47 1.67 2.07 -1.21 0.36 116.25 118.73 3kae h VAL 42 Ca -0.07 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 3kae h VAL 42 Cb 0.60 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3kae h VAL 42 CO 0.12 0.08 -0.11 0.25 0.02 0.00 0.00 177.57 177.92 3kae h LEU 43 N 0.43 0.91 -0.10 2.57 5.85 -1.02 -1.67 115.31 122.29 3kae h LEU 43 Ca 0.29 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kae h LEU 43 Cb 0.54 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3kae h LEU 43 CO -0.08 1.06 0.05 0.22 -0.34 0.00 0.00 178.44 179.35 3kae h TYR 44 N 0.75 0.14 -0.17 1.25 3.20 0.14 0.12 116.97 122.41 3kae h TYR 44 Ca 0.12 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3kae h TYR 44 Cb 0.66 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3kae h TYR 44 CO 0.05 0.18 0.13 -0.07 -1.64 0.00 0.00 178.16 176.81 3kae h LEU 45 N 0.06 0.00 -1.07 2.82 3.38 -0.27 0.29 115.31 120.52 3kae h LEU 45 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kae h LEU 45 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kae h LEU 45 CO -0.01 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.32 3kae n ASN 46 N -4.32 1.58 0.00 -0.43 4.05 -0.64 -4.89 115.26 110.61 3kae n ASN 46 Ca 0.01 -1.84 0.00 0.00 0.45 0.00 0.00 54.58 53.20 3kae n ASN 46 Cb 0.26 -0.15 0.00 0.00 1.23 0.00 0.00 39.78 41.12 3kae n ASN 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kae n GLY 47 N 1.04 0.45 3.16 8.20 0.00 0.09 -4.99 105.19 113.15 3kae n GLY 47 Ca 0.13 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3kae n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kae n GLU 48 N -2.97 3.26 -0.03 1.61 1.02 -0.01 -4.89 120.64 118.63 3kae n GLU 48 Ca 0.00 -4.49 -0.16 0.00 -0.02 0.00 0.00 57.16 52.48 3kae n GLU 48 Cb 0.00 -2.47 -0.08 0.00 -0.02 0.00 0.00 31.44 28.87 3kae n GLU 48 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3kae h TYR 49 N 6.08 0.84 -0.59 -0.32 0.05 -1.89 -1.21 116.97 119.93 3kae h TYR 49 Ca 0.18 -0.37 -0.07 0.00 0.05 0.00 0.00 58.73 58.52 3kae h TYR 49 Cb 0.80 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 3kae h TYR 49 CO 0.77 1.16 0.09 1.15 -1.05 0.00 0.00 178.16 180.29 3kae h THR 50 N 0.27 1.25 -0.43 -2.88 2.02 -1.91 -0.25 112.91 110.98 3kae h THR 50 Ca -0.04 -0.97 -0.14 0.00 0.77 0.00 0.00 66.41 66.04 3kae h THR 50 Cb 1.23 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3kae h THR 50 CO 0.12 0.36 -0.26 0.03 0.37 0.00 0.00 175.52 176.14 3kae h ARG 51 N 0.90 0.93 -0.67 6.66 3.08 -1.95 -2.75 114.38 120.58 3kae h ARG 51 Ca 0.18 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3kae h ARG 51 Cb 0.40 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3kae h ARG 51 CO 0.01 1.09 0.26 0.00 -1.07 0.00 0.00 179.97 180.26 3kae h ALA 52 N 0.82 1.20 -0.82 0.04 0.00 -0.81 -2.50 119.26 117.18 3kae h ALA 52 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kae h ALA 52 Cb 0.84 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3kae h ALA 52 CO 0.07 0.58 0.41 -0.07 0.00 0.00 0.00 179.25 180.24 3kae h LEU 53 N 0.97 1.07 -0.62 0.00 3.38 -0.93 -0.22 115.31 118.95 3kae h LEU 53 Ca 0.22 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.18 3kae h LEU 53 Cb 0.20 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3kae h LEU 53 CO -0.02 0.89 0.23 0.15 0.09 0.00 0.00 178.44 179.78 3kae h PHE 54 N 1.17 0.40 -0.04 1.13 3.04 -1.15 0.63 116.94 122.12 3kae h PHE 54 Ca 0.29 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 62.08 3kae h PHE 54 Cb 0.10 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 3kae h PHE 54 CO 0.01 0.09 -0.78 0.45 -2.02 0.00 0.00 178.31 176.06 3kae h HIS 55 N 0.41 0.44 -0.18 0.41 3.86 -1.32 -3.26 115.15 115.50 3kae h HIS 55 Ca 0.32 -0.21 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 3kae h HIS 55 Cb 0.41 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3kae h HIS 55 CO -0.17 0.98 -0.42 -0.07 0.86 0.00 0.00 177.93 179.11 3kae h LEU 56 N 0.20 0.45 -2.05 2.43 3.38 0.04 -2.52 115.31 117.24 3kae h LEU 56 Ca -0.04 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3kae h LEU 56 Cb 1.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kae h LEU 56 CO 0.13 0.82 0.12 0.45 0.09 0.00 0.00 178.44 180.05 3kae h HIS 57 N 0.35 0.00 0.00 1.13 3.86 -0.96 0.15 115.15 119.68 3kae h HIS 57 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3kae h HIS 57 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3kae h HIS 57 CO 0.03 0.00 0.00 1.63 0.86 0.00 0.00 177.93 180.45 3kae n LYS 58 N -4.38 0.72 -4.54 2.45 5.02 -0.95 -4.81 118.16 111.67 3kae n LYS 58 Ca 0.01 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 3kae n LYS 58 Cb 0.25 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 3kae n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kae s LEU 59 N -2.12 2.59 -0.48 -0.35 1.43 0.54 -5.11 118.68 115.18 3kae s LEU 59 Ca 0.36 -1.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.18 3kae s LEU 59 Cb 0.18 -0.70 0.23 0.00 0.03 0.00 0.00 46.19 45.93 3kae s LEU 59 CO 0.32 -0.48 0.79 -3.20 0.23 0.00 0.00 176.35 174.01 3kae n ASN 60 N -0.82 -2.51 -4.42 2.29 2.85 -1.26 -4.94 115.26 106.44 3kae n ASN 60 Ca -0.04 -3.12 -0.25 0.00 -0.11 0.00 0.00 54.58 51.05 3kae n ASN 60 Cb 0.66 1.41 -0.09 0.00 1.24 0.00 0.00 39.78 42.99 3kae n ASN 60 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3kae s THR 61 N 0.46 1.11 0.23 -0.44 -4.23 -1.26 -2.03 115.64 109.47 3kae s THR 61 Ca 0.32 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 3kae s THR 61 Cb 0.17 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.61 3kae s THR 61 CO -0.19 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.71 3kae h THR 63 N 0.80 1.27 -0.09 0.00 2.02 -1.91 -0.97 112.91 114.04 3kae h THR 63 Ca 0.34 -1.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 3kae h THR 63 Cb 0.20 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3kae h THR 63 CO -0.19 0.45 -0.45 0.77 0.37 0.00 0.00 175.52 176.47 3kae h SER 64 N 0.60 0.55 0.08 4.18 4.64 -1.81 -1.94 113.55 119.86 3kae h SER 64 Ca 0.08 -0.65 -0.09 0.00 -0.47 0.00 0.00 61.79 60.67 3kae h SER 64 Cb 0.75 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3kae h SER 64 CO 0.06 1.11 -0.28 0.11 -0.87 0.00 0.00 176.83 176.96 3kae h LYS 65 N 0.03 0.32 0.34 4.77 1.79 -0.95 0.12 116.57 122.99 3kae h LYS 65 Ca -0.03 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 3kae h LYS 65 Cb 1.10 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3kae h LYS 65 CO 0.09 0.57 -0.17 -0.92 -1.08 0.00 0.00 179.45 177.95 3kae h TYR 66 N 0.28 -0.43 -0.14 -1.35 3.20 -1.09 -1.13 116.97 116.31 3kae h TYR 66 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3kae h TYR 66 Cb 0.64 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3kae h TYR 66 CO 0.01 -0.15 0.03 1.88 -1.64 0.00 0.00 178.16 178.29 3kae h TYR 67 N -0.67 0.19 0.15 -3.82 -1.99 -1.20 -1.14 116.97 108.49 3kae h TYR 67 Ca -0.05 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3kae h TYR 67 Cb 0.47 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 3kae h TYR 67 CO -0.00 0.18 -0.14 1.49 -0.00 0.00 0.00 178.16 179.69 3kae h GLU 68 N 0.20 -0.29 -0.69 4.88 4.81 -0.55 0.24 114.58 123.18 3kae h GLU 68 Ca 0.05 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3kae h GLU 68 Cb 0.09 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3kae h GLU 68 CO -0.00 -0.19 0.38 1.03 -0.73 0.00 0.00 179.01 179.49 3kae h SER 69 N -0.30 0.54 -0.53 1.04 0.87 -0.35 0.17 113.55 114.99 3kae h SER 69 Ca 0.00 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3kae h SER 69 Cb 0.28 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3kae h SER 69 CO -0.03 0.34 0.33 -0.07 -0.53 0.00 0.00 176.83 176.87 3kae h LEU 70 N 0.68 0.55 -0.33 2.23 3.38 -0.76 0.26 115.31 121.33 3kae h LEU 70 Ca 0.32 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 3kae h LEU 70 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kae h LEU 70 CO -0.21 0.39 0.07 0.00 0.09 0.00 0.00 178.44 178.79 3kae h TYR 72 N 0.37 1.09 -0.31 0.00 0.05 -0.80 -1.96 116.97 115.40 3kae h TYR 72 Ca 0.10 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 3kae h TYR 72 Cb 0.31 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3kae h TYR 72 CO 0.02 0.56 -0.05 -0.22 -1.05 0.00 0.00 178.16 177.41 3kae h LYS 73 N 1.06 0.59 -0.74 4.88 3.64 -0.47 0.13 116.57 125.66 3kae h LYS 73 Ca 0.41 -0.21 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 3kae h LYS 73 Cb 0.21 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3kae h LYS 73 CO -0.16 0.76 0.49 0.87 -2.27 0.00 0.00 179.45 179.14 3kae h LYS 74 N 0.36 0.53 -0.24 1.90 1.79 -0.84 0.50 116.57 120.58 3kae h LYS 74 Ca 0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3kae h LYS 74 Cb 0.53 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3kae h LYS 74 CO 0.03 0.35 0.00 1.63 -1.08 0.00 0.00 179.45 180.38 3kae n LYS 75 N -4.49 1.83 -1.53 3.15 5.02 -0.77 -4.92 118.16 116.45 3kae n LYS 75 Ca 0.13 -1.27 -0.18 0.00 -2.02 0.00 0.00 58.31 54.97 3kae n LYS 75 Cb 0.41 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 3kae n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kae n LYS 76 N 0.50 -1.44 -2.66 1.97 5.02 0.17 -4.90 118.16 116.81 3kae n LYS 76 Ca 0.15 1.11 -0.43 0.00 -2.02 0.00 0.00 58.31 57.12 3kae n LYS 76 Cb 0.35 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 3kae n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kae n ASP 77 N -1.16 5.01 0.10 4.39 -0.08 0.31 -4.81 116.55 120.30 3kae n ASP 77 Ca -0.18 -2.96 -0.00 0.00 -1.51 0.00 0.00 54.79 50.13 3kae n ASP 77 Cb 0.62 -1.63 0.29 0.00 2.34 0.00 0.00 41.12 42.74 3kae n ASP 77 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3kae h TYR 78 N 7.03 0.29 -0.51 -0.67 0.05 -1.91 -1.22 116.97 120.04 3kae h TYR 78 Ca 0.39 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 59.02 3kae h TYR 78 Cb 0.83 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 3kae h TYR 78 CO 1.26 0.53 -0.05 0.87 -1.05 0.00 0.00 178.16 179.71 3kae h LYS 79 N 0.23 0.89 0.00 4.88 6.56 -1.95 0.92 116.57 128.10 3kae h LYS 79 Ca 0.03 -0.28 -0.21 0.00 -1.06 0.00 0.00 60.65 59.13 3kae h LYS 79 Cb 0.63 -0.08 0.02 0.00 -0.57 0.00 0.00 32.23 32.23 3kae h LYS 79 CO 0.05 0.92 -0.83 0.87 -2.06 0.00 0.00 179.45 178.39 3kae h LYS 80 N 0.81 0.56 -0.45 3.15 1.57 -1.88 -1.22 116.57 119.12 3kae h LYS 80 Ca 0.14 -0.61 0.09 0.00 -1.87 0.00 0.00 60.65 58.41 3kae h LYS 80 Cb 0.56 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 3kae h LYS 80 CO 0.03 1.22 -0.14 0.00 -0.57 0.00 0.00 179.45 179.99 3kae h ALA 81 N 0.36 0.24 0.20 3.86 0.00 -0.99 0.55 119.26 123.48 3kae h ALA 81 Ca -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kae h ALA 81 Cb 1.52 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3kae h ALA 81 CO 0.16 -0.48 -0.10 0.82 0.00 0.00 0.00 179.25 179.66 3kae h ILE 82 N -0.04 0.80 -1.01 0.00 2.04 -0.80 -2.58 117.51 115.93 3kae h ILE 82 Ca 0.22 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.20 3kae h ILE 82 Cb 0.37 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3kae h ILE 82 CO -0.48 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.41 3kae h LYS 83 N -0.27 0.95 -0.59 2.37 1.57 -0.78 -1.50 116.57 118.32 3kae h LYS 83 Ca -0.03 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3kae h LYS 83 Cb 0.21 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3kae h LYS 83 CO 0.04 0.63 0.21 0.77 -0.57 0.00 0.00 179.45 180.53 3kae h SER 84 N 0.97 0.83 -0.36 0.86 0.02 -0.65 -2.77 113.55 112.45 3kae h SER 84 Ca 0.51 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 3kae h SER 84 Cb 0.54 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3kae h SER 84 CO -0.28 0.79 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.90 3kae h LEU 85 N 0.82 0.84 -1.58 5.07 3.38 -0.94 -3.02 115.31 119.87 3kae h LEU 85 Ca 0.19 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3kae h LEU 85 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kae h LEU 85 CO -0.01 1.09 0.29 -0.33 0.09 0.00 0.00 178.44 179.56 3kae h GLU 86 N 0.59 0.56 -0.92 1.13 5.08 -1.19 -0.49 114.58 119.33 3kae h GLU 86 Ca 0.07 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 3kae h GLU 86 Cb 0.80 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 3kae h GLU 86 CO 0.07 0.37 0.50 0.77 -1.00 0.00 0.00 179.01 179.72 3kae h SER 87 N 0.58 0.61 0.47 1.42 0.02 -1.36 0.65 113.55 115.93 3kae h SER 87 Ca 0.16 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3kae h SER 87 Cb -0.05 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kae h SER 87 CO -0.04 0.22 -0.22 0.40 -1.14 0.00 0.00 176.83 176.05 3kae h ILE 88 N 0.66 0.15 -0.33 3.27 2.04 -1.18 0.18 117.51 122.29 3kae h ILE 88 Ca 0.52 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3kae h ILE 88 Cb 0.79 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3kae h ILE 88 CO -0.39 0.03 0.23 -0.07 0.00 0.00 0.00 178.15 177.95 3kae h LEU 89 N -1.11 0.25 -0.10 1.44 3.38 -1.12 0.58 115.31 118.61 3kae h LEU 89 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kae h LEU 89 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kae h LEU 89 CO 0.11 0.17 -0.02 -0.62 0.09 0.00 0.00 178.44 178.16 3kae n GLU 90 N -4.48 0.77 -3.28 1.13 1.02 0.22 -4.95 120.64 111.07 3kae n GLU 90 Ca 0.03 -0.10 -0.17 0.00 -0.02 0.00 0.00 57.16 56.90 3kae n GLU 90 Cb 0.20 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.19 3kae n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kae n GLY 91 N 1.17 -0.21 1.64 0.62 0.00 0.20 -4.95 105.19 103.67 3kae n GLY 91 Ca 0.18 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 3kae n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kae n LYS 92 N -3.84 2.34 -4.32 1.61 5.02 0.59 -5.00 118.16 114.56 3kae n LYS 92 Ca -0.06 -3.37 -0.19 0.00 -2.02 0.00 0.00 58.31 52.66 3kae n LYS 92 Cb 0.57 -2.02 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 3kae n LYS 92 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kae s VAL 93 N -3.76 1.67 0.49 -0.18 -7.23 -1.26 -4.94 120.40 105.19 3kae s VAL 93 Ca 0.51 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3kae s VAL 93 Cb 0.43 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 3kae s VAL 93 CO 0.02 -0.46 0.79 -1.61 -0.31 0.00 0.00 175.10 173.52 3kae s GLU 94 N -3.14 3.40 0.22 4.82 0.41 -0.86 -4.86 118.70 118.68 3kae s GLU 94 Ca 0.17 0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.53 3kae s GLU 94 Cb -0.03 -2.38 -0.09 0.00 -1.78 0.00 0.00 34.13 29.84 3kae s GLU 94 CO 0.06 -0.28 1.38 -0.98 -0.49 0.00 0.00 175.26 174.95 3kae s ARG 95 N -4.76 4.32 0.75 1.61 1.70 -1.26 -3.66 118.95 117.66 3kae s ARG 95 Ca 0.48 2.18 -0.15 0.00 -0.47 0.00 0.00 55.73 57.77 3kae s ARG 95 Cb -0.10 -3.16 0.01 0.00 -0.57 0.00 0.00 34.95 31.13 3kae s ARG 95 CO 0.44 -0.35 0.88 -0.25 -1.08 0.00 0.00 175.30 174.95 3kae n ASP 96 N 2.60 0.06 -4.76 -2.89 8.00 -1.26 -4.94 116.55 113.37 3kae n ASP 96 Ca 0.07 0.61 -0.37 0.00 0.71 0.00 0.00 54.79 55.81 3kae n ASP 96 Cb 0.41 -1.37 0.02 0.00 -0.02 0.00 0.00 41.12 40.16 3kae n ASP 96 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3kae s PRO 97 N -3.39 3.26 -0.01 -0.24 0.02 -1.26 -4.95 135.00 128.44 3kae s PRO 97 Ca 0.71 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 63.35 3kae s PRO 97 Cb -0.33 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 3kae s PRO 97 CO 0.53 -1.00 1.93 -0.51 -0.33 0.00 0.00 177.00 177.62 3kae s ASP 98 N -1.35 6.39 0.34 2.53 1.01 -1.26 -4.97 116.67 119.36 3kae s ASP 98 Ca 0.72 2.48 0.03 0.00 0.71 0.00 0.00 52.55 56.49 3kae s ASP 98 Cb -0.32 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.03 3kae s ASP 98 CO 0.37 -1.13 0.11 0.68 0.21 0.00 0.00 175.17 175.41 3kae s VAL 99 N 4.80 0.72 0.22 -1.27 -7.23 -1.26 -5.06 120.40 111.31 3kae s VAL 99 Ca 0.86 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 3kae s VAL 99 Cb -0.39 -2.55 -0.16 0.00 0.56 0.00 0.00 36.38 33.84 3kae s VAL 99 CO 0.38 0.00 0.76 -0.67 -0.31 0.00 0.00 175.10 175.26 3kae n ASP 100 N -0.94 -0.15 0.00 4.85 4.64 -1.26 -4.67 116.55 119.02 3kae n ASP 100 Ca -0.03 1.15 0.08 0.00 -1.38 0.00 0.00 54.79 54.61 3kae n ASP 100 Cb 0.66 -1.08 0.49 0.00 -1.04 0.00 0.00 41.12 40.14 3kae n ASP 100 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kae h ALA 101 N 1.60 1.87 0.00 -1.67 0.00 -1.99 -0.92 119.26 118.16 3kae h ALA 101 Ca -0.34 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3kae h ALA 101 Cb 1.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3kae h ALA 101 CO 0.60 0.06 -0.37 0.00 0.00 0.00 0.00 179.25 179.54 3kae h ARG 102 N 0.42 0.00 0.22 0.00 3.08 -2.02 -2.88 114.38 113.20 3kae h ARG 102 Ca 0.18 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.89 3kae h ARG 102 Cb 0.19 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.26 3kae h ARG 102 CO -0.04 0.37 -1.56 0.82 -1.07 0.00 0.00 179.97 178.48 3kae h ILE 103 N 0.00 1.18 -0.99 2.04 1.08 -1.57 -3.35 117.51 115.90 3kae h ILE 103 Ca -0.00 -2.67 0.08 0.00 -0.39 0.00 0.00 64.86 61.88 3kae h ILE 103 Cb 0.76 2.93 -0.07 0.00 -3.07 0.00 0.00 36.82 37.38 3kae h ILE 103 CO 0.05 0.83 0.63 -0.61 -0.69 0.00 0.00 178.15 178.36 3kae h GLN 104 N 0.13 1.06 -0.15 2.37 5.75 -1.02 0.30 115.11 123.55 3kae h GLN 104 Ca -0.28 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.20 3kae h GLN 104 Cb 2.13 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 30.44 3kae h GLN 104 CO 0.24 0.70 0.21 0.93 -2.65 0.00 0.00 178.83 178.26 3kae h GLU 105 N 1.09 0.00 -0.07 1.69 5.08 -1.64 0.17 114.58 120.90 3kae h GLU 105 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3kae h GLU 105 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kae h GLU 105 CO -0.20 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.48 3kae n MET 106 N -3.58 1.48 -3.36 2.33 2.81 0.10 -4.91 117.12 111.98 3kae n MET 106 Ca 0.01 -0.71 -0.23 0.00 -1.81 0.00 0.00 57.70 54.96 3kae n MET 106 Cb 0.32 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 31.41 3kae n MET 106 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3kae s PHE 107 N -1.92 3.40 -0.20 2.03 0.08 0.61 -5.08 117.98 116.90 3kae s PHE 107 Ca 0.35 0.24 -0.11 0.00 0.12 0.00 0.00 56.93 57.53 3kae s PHE 107 Cb 0.18 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 3kae s PHE 107 CO 0.29 0.04 0.20 0.08 -0.10 0.00 0.00 175.22 175.73 3kae s VAL 108 N -2.32 5.36 -0.20 -0.44 1.01 -1.26 -5.07 120.40 117.47 3kae s VAL 108 Ca 0.42 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 3kae s VAL 108 Cb -0.10 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3kae s VAL 108 CO 0.35 0.38 0.47 -0.62 0.00 0.00 0.00 175.10 175.69 3kae s ASP 109 N 0.65 6.51 0.00 3.32 -1.08 -1.26 -4.52 116.67 120.29 3kae s ASP 109 Ca 0.11 0.61 0.07 0.00 -0.52 0.00 0.00 52.55 52.81 3kae s ASP 109 Cb -0.12 -2.27 0.35 0.00 -1.46 0.00 0.00 42.92 39.42 3kae s ASP 109 CO 0.02 -0.14 1.05 -2.65 0.52 0.00 0.00 175.17 173.97 3kae n PRO 110 N 4.69 0.11 0.00 4.34 -0.02 -1.26 -1.45 135.00 141.41 3kae n PRO 110 Ca -0.06 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3kae n PRO 110 Cb 0.51 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.81 3kae n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kae n GLY 111 N -0.69 -0.99 2.55 -1.23 0.00 -1.26 -4.35 105.19 99.22 3kae n GLY 111 Ca 0.03 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 3kae n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kae n ASP 112 N -1.14 7.68 0.20 1.61 8.00 -0.53 -4.78 116.55 127.59 3kae n ASP 112 Ca 0.09 -3.26 0.14 0.00 0.71 0.00 0.00 54.79 52.47 3kae n ASP 112 Cb 0.34 -1.33 0.55 0.00 -0.02 0.00 0.00 41.12 40.66 3kae n ASP 112 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3kae h GLU 113 N 4.61 0.00 -0.53 -1.24 5.08 -1.84 -2.90 114.58 117.76 3kae h GLU 113 Ca 0.64 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.10 3kae h GLU 113 Cb 0.33 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 3kae h GLU 113 CO 1.42 0.00 0.06 0.93 -1.00 0.00 0.00 179.01 180.43 3kae h GLU 114 N 0.00 0.18 -1.01 2.33 3.07 -1.86 -0.76 114.58 116.54 3kae h GLU 114 Ca 0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3kae h GLU 114 Cb 0.50 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 3kae h GLU 114 CO 0.00 0.12 0.67 0.74 -1.40 0.00 0.00 179.01 179.14 3kae h PHE 115 N 0.19 1.26 -0.16 4.33 0.04 -1.89 -0.02 116.94 120.69 3kae h PHE 115 Ca 0.27 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 61.01 3kae h PHE 115 Cb 0.40 -0.43 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 3kae h PHE 115 CO -0.27 0.79 -0.14 0.74 -0.60 0.00 0.00 178.31 178.82 3kae h PHE 116 N 1.35 0.44 -0.59 -0.55 0.04 -1.55 -2.18 116.94 113.90 3kae h PHE 116 Ca 0.37 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.95 3kae h PHE 116 Cb -0.14 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 3kae h PHE 116 CO -0.00 0.75 0.12 0.93 -0.60 0.00 0.00 178.31 179.51 3kae h GLU 117 N 0.01 0.93 -0.07 1.51 4.39 -1.04 0.29 114.58 120.62 3kae h GLU 117 Ca 0.03 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 3kae h GLU 117 Cb 0.67 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3kae h GLU 117 CO 0.04 0.84 0.03 1.03 -1.16 0.00 0.00 179.01 179.80 3kae h SER 118 N 0.89 0.08 -0.59 1.42 0.87 -1.02 0.16 113.55 115.36 3kae h SER 118 Ca 0.19 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3kae h SER 118 Cb 0.35 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3kae h SER 118 CO 0.00 0.15 -0.01 0.25 -0.53 0.00 0.00 176.83 176.70 3kae h LEU 119 N 0.01 1.03 -1.64 2.23 7.12 -1.18 -0.90 115.31 121.97 3kae h LEU 119 Ca 0.02 -0.31 0.04 0.00 0.13 0.00 0.00 57.88 57.76 3kae h LEU 119 Cb 0.09 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 39.92 3kae h LEU 119 CO -0.00 1.09 0.31 -0.07 -0.13 0.00 0.00 178.44 179.63 3kae h LEU 120 N 0.94 0.40 -0.05 2.25 3.38 -0.26 0.01 115.31 121.98 3kae h LEU 120 Ca 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kae h LEU 120 Cb 0.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kae h LEU 120 CO 0.03 0.27 -0.02 1.23 0.09 0.00 0.00 178.44 180.05 3kae h GLY 121 N 0.47 0.12 0.75 0.83 0.00 0.60 -1.28 103.07 104.56 3kae h GLY 121 Ca 0.19 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.46 3kae h GLY 121 CO -0.05 0.09 0.23 -0.55 0.00 0.00 0.00 176.54 176.26 3kae h ASP 122 N -0.25 0.32 -0.07 0.19 3.32 -0.83 -1.24 116.42 117.87 3kae h ASP 122 Ca 0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kae h ASP 122 Cb 0.42 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kae h ASP 122 CO 0.01 0.23 0.03 -0.07 -1.72 0.00 0.00 179.24 177.72 3kae h LEU 123 N 0.45 0.08 -0.41 1.55 3.38 -0.96 0.19 115.31 119.59 3kae h LEU 123 Ca 0.20 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3kae h LEU 123 Cb 0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3kae h LEU 123 CO -0.14 0.15 0.11 0.00 0.09 0.00 0.00 178.44 178.65 3kae h THR 125 N 0.25 0.49 0.00 0.00 2.02 -1.06 0.58 112.91 115.20 3kae h THR 125 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3kae h THR 125 Cb 0.21 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3kae h THR 125 CO -0.23 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.57 3kae h LEU 126 N -0.66 0.00 -0.95 2.58 3.38 -0.46 -1.60 115.31 117.60 3kae h LEU 126 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kae h LEU 126 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kae h LEU 126 CO 0.08 0.02 -0.12 -0.24 0.09 0.00 0.00 178.44 178.27 3kae n SER 127 N -3.85 1.59 0.00 -0.43 2.88 0.13 -4.93 113.62 109.02 3kae n SER 127 Ca -0.03 -1.37 0.00 0.00 -1.33 0.00 0.00 58.87 56.14 3kae n SER 127 Cb 0.11 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3kae n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kae n GLY 128 N 1.27 0.91 2.84 0.46 0.00 -0.60 -5.03 105.19 105.05 3kae n GLY 128 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3kae n GLY 128 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kae n TYR 129 N -2.15 3.54 -0.04 1.61 4.01 0.19 -4.92 117.16 119.40 3kae n TYR 129 Ca 0.00 -3.80 -0.11 0.00 -0.16 0.00 0.00 57.90 53.83 3kae n TYR 129 Cb 0.00 -0.94 -0.04 0.00 -0.31 0.00 0.00 39.34 38.05 3kae n TYR 129 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kae h ARG 130 N 5.21 0.24 -0.28 -0.72 9.65 -1.84 -1.52 114.38 125.13 3kae h ARG 130 Ca 0.18 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3kae h ARG 130 Cb 0.71 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 3kae h ARG 130 CO 0.95 0.23 0.17 0.93 2.80 0.00 0.00 179.97 185.05 3kae h GLU 131 N 0.18 0.37 -0.97 0.20 3.07 -1.95 0.11 114.58 115.61 3kae h GLU 131 Ca 0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3kae h GLU 131 Cb 0.06 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.85 3kae h GLU 131 CO -0.01 0.29 0.60 1.49 -1.40 0.00 0.00 179.01 179.98 3kae h GLU 132 N 0.35 1.30 -0.29 2.33 4.81 -1.95 -2.22 114.58 118.90 3kae h GLU 132 Ca 0.10 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3kae h GLU 132 Cb 0.01 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3kae h GLU 132 CO -0.02 0.89 0.14 0.78 -0.73 0.00 0.00 179.01 180.07 3kae h GLY 133 N 1.32 0.39 0.44 1.92 0.00 -0.43 -1.85 103.07 104.86 3kae h GLY 133 Ca 0.35 -0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.70 3kae h GLY 133 CO -0.07 0.07 0.57 -2.22 0.00 0.00 0.00 176.54 174.90 3kae h ILE 134 N 0.29 0.89 -0.90 2.60 2.04 -0.52 0.43 117.51 122.34 3kae h ILE 134 Ca 0.12 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3kae h ILE 134 Cb 0.05 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 35.98 3kae h ILE 134 CO -0.09 0.16 0.58 1.23 0.00 0.00 0.00 178.15 180.03 3kae h GLY 135 N 0.90 1.34 1.06 5.37 0.00 -0.75 0.33 103.07 111.32 3kae h GLY 135 Ca 0.47 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 3kae h GLY 135 CO -0.28 0.33 -0.42 0.45 0.00 0.00 0.00 176.54 176.63 3kae h HIS 136 N 1.09 0.99 -0.75 5.60 3.86 -0.52 -1.42 115.15 124.00 3kae h HIS 136 Ca 0.38 -0.33 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3kae h HIS 136 Cb 0.09 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3kae h HIS 136 CO -0.02 1.13 0.48 1.88 0.86 0.00 0.00 177.93 182.26 3kae h TYR 137 N 0.57 0.90 -0.25 2.45 0.05 -0.39 0.26 116.97 120.56 3kae h TYR 137 Ca 0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 3kae h TYR 137 Cb 1.02 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 3kae h TYR 137 CO 0.07 0.53 0.15 0.28 -1.05 0.00 0.00 178.16 178.15 3kae h VAL 138 N 0.95 1.09 -0.21 -2.88 2.07 -0.28 0.11 116.25 117.09 3kae h VAL 138 Ca 0.29 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 3kae h VAL 138 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3kae h VAL 138 CO -0.09 0.09 -0.31 -0.09 0.02 0.00 0.00 177.57 177.18 3kae h ARG 139 N 0.31 0.43 -0.06 1.57 2.43 -0.63 -1.57 114.38 116.86 3kae h ARG 139 Ca 0.09 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3kae h ARG 139 Cb 0.01 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3kae h ARG 139 CO -0.02 0.70 -0.02 1.03 -1.51 0.00 0.00 179.97 180.15 3kae h SER 140 N 0.37 0.12 0.04 -3.80 0.87 -0.27 -3.09 113.55 107.78 3kae h SER 140 Ca 0.05 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 3kae h SER 140 Cb 0.74 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3kae h SER 140 CO 0.06 0.49 -0.04 0.15 -0.53 0.00 0.00 176.83 176.96 3kae h PHE 141 N -0.24 0.00 -0.09 2.24 3.57 -0.53 -1.43 116.94 120.46 3kae h PHE 141 Ca 0.01 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3kae h PHE 141 Cb 0.44 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3kae h PHE 141 CO 0.06 0.04 0.08 0.78 -2.23 0.00 0.00 178.31 177.04 3kae h GLY 142 N 0.11 0.00 0.27 2.40 0.00 -1.21 -2.99 103.07 101.66 3kae h GLY 142 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 3kae h GLY 142 CO 0.00 0.00 -2.26 1.17 0.00 0.00 0.00 176.54 175.46 3kae n LYS 143 N -4.14 0.69 -3.58 4.80 4.81 -0.58 -5.05 118.16 115.11 3kae n LYS 143 Ca -0.01 0.18 -0.11 0.00 -0.87 0.00 0.00 58.31 57.51 3kae n LYS 143 Cb 0.18 -1.60 -0.05 0.00 0.02 0.00 0.00 35.03 33.58 3kae n LYS 143 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kae s SER 144 N -6.56 -0.38 -0.01 3.14 0.15 -0.96 -5.05 113.70 104.03 3kae s SER 144 Ca -0.26 0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.54 3kae s SER 144 Cb 0.08 0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 64.68 3kae s SER 144 CO 0.70 -0.33 1.65 0.12 1.20 0.00 0.00 173.24 176.58 3kae s PHE 145 N -0.98 2.13 0.09 3.44 2.19 -1.26 -4.15 117.98 119.43 3kae s PHE 145 Ca -0.01 0.24 0.03 0.00 0.33 0.00 0.00 56.93 57.52 3kae s PHE 145 Cb -0.01 -3.93 -0.03 0.00 -1.31 0.00 0.00 43.02 37.74 3kae s PHE 145 CO 0.01 -3.83 -0.10 -0.51 1.83 0.00 0.00 175.22 172.62 3kae s LEU 146 N 3.56 2.38 0.13 6.12 1.43 -1.26 -5.08 118.68 125.96 3kae s LEU 146 Ca 0.74 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 3kae s LEU 146 Cb -0.35 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 3kae s LEU 146 CO 0.31 -0.26 1.58 0.15 0.23 0.00 0.00 176.35 178.35 3kae h PHE 147 N 3.69 0.79 -0.17 0.29 3.04 -1.99 -2.69 116.94 119.89 3kae h PHE 147 Ca -0.37 -0.13 -0.10 0.00 3.98 0.00 0.00 57.97 61.34 3kae h PHE 147 Cb 1.19 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 3kae h PHE 147 CO 0.63 0.79 -0.29 1.03 -2.02 0.00 0.00 178.31 178.45 3kae h SER 148 N 0.56 0.56 -0.23 0.41 0.87 -1.98 -1.02 113.55 112.72 3kae h SER 148 Ca 0.12 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3kae h SER 148 Cb 0.47 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3kae h SER 148 CO 0.02 0.99 0.14 -0.65 -0.53 0.00 0.00 176.83 176.80 3kae h PRO 149 N 0.15 0.31 0.06 2.24 0.11 -1.89 -2.16 132.00 130.82 3kae h PRO 149 Ca 0.01 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3kae h PRO 149 Cb 0.88 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3kae h PRO 149 CO 0.07 0.24 -0.15 0.28 -0.21 0.00 0.00 178.00 178.23 3kae h VAL 150 N 0.29 0.64 -0.13 3.15 2.07 -1.48 0.12 116.25 120.91 3kae h VAL 150 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3kae h VAL 150 Cb 0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kae h VAL 150 CO -0.02 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.02 3kae h GLU 151 N -0.28 0.23 0.10 1.57 4.39 -1.19 -0.25 114.58 119.15 3kae h GLU 151 Ca 0.03 -0.07 -0.26 0.00 0.34 0.00 0.00 59.36 59.40 3kae h GLU 151 Cb 0.31 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3kae h GLU 151 CO -0.10 0.45 -1.18 -0.91 -1.16 0.00 0.00 179.01 176.10 3kae h ASN 152 N 0.21 0.40 -0.18 1.42 2.35 -1.21 -1.78 115.58 116.79 3kae h ASN 152 Ca 0.04 -0.41 -0.20 0.00 -0.55 0.00 0.00 56.30 55.17 3kae h ASN 152 Cb 0.52 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.77 3kae h ASN 152 CO 0.04 1.30 -0.68 -0.07 -1.65 0.00 0.00 177.43 176.37 3kae h LEU 153 N 0.08 0.90 0.04 1.61 3.38 -0.55 -2.08 115.31 118.69 3kae h LEU 153 Ca -0.12 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 3kae h LEU 153 Cb 1.90 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3kae h LEU 153 CO 0.19 1.36 -0.02 -0.07 0.09 0.00 0.00 178.44 179.99 3kae h LEU 154 N 0.50 -0.04 -1.00 1.67 3.38 -1.11 0.56 115.31 119.27 3kae h LEU 154 Ca -0.03 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.11 3kae h LEU 154 Cb 1.30 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.95 3kae h LEU 154 CO 0.14 -0.00 0.60 0.25 0.09 0.00 0.00 178.44 179.52 3kae h LEU 155 N -0.08 0.76 -1.12 1.67 5.85 -1.32 0.40 115.31 121.48 3kae h LEU 155 Ca -0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kae h LEU 155 Cb 0.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3kae h LEU 155 CO 0.01 0.25 0.00 -0.62 -0.34 0.00 0.00 178.44 177.74 3kae n GLU 156 N -4.79 1.76 -1.29 1.25 -0.58 -0.79 -4.90 120.64 111.30 3kae n GLU 156 Ca 0.24 -1.12 -0.12 0.00 -0.42 0.00 0.00 57.16 55.74 3kae n GLU 156 Cb 0.60 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 3kae n GLU 156 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kae n ASN 157 N 0.35 -4.69 -2.00 1.62 5.15 0.13 -4.84 115.26 110.99 3kae n ASN 157 Ca 0.18 0.29 -0.05 0.00 -0.60 0.00 0.00 54.58 54.41 3kae n ASN 157 Cb 0.38 -3.76 0.31 0.00 -0.53 0.00 0.00 39.78 36.19 3kae n ASN 157 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3kae n LYS 158 N -1.21 3.82 -2.32 1.20 4.01 0.02 -4.95 118.16 118.73 3kae n LYS 158 Ca -0.12 -3.03 -0.42 0.00 -0.51 0.00 0.00 58.31 54.24 3kae n LYS 158 Cb 0.52 -2.21 -0.03 0.00 -0.51 0.00 0.00 35.03 32.79 3kae n LYS 158 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3kae s VAL 159 N -2.91 3.61 -0.07 -0.18 0.11 -1.18 -4.94 120.40 114.84 3kae s VAL 159 Ca 0.54 1.24 -0.30 0.00 -2.93 0.00 0.00 61.98 60.53 3kae s VAL 159 Cb 0.43 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.46 3kae s VAL 159 CO 0.14 0.14 1.22 -2.84 -3.33 0.00 0.00 175.10 170.43 3kae s PRO 160 N 0.48 4.33 0.20 1.54 0.02 -1.26 -5.04 135.00 135.27 3kae s PRO 160 Ca 0.58 1.68 0.10 0.00 0.02 0.00 0.00 61.00 63.38 3kae s PRO 160 Cb -0.33 -3.59 -0.04 0.00 0.02 0.00 0.00 34.50 30.56 3kae s PRO 160 CO 0.33 -0.49 -0.15 -0.65 -0.33 0.00 0.00 177.00 175.71 3kae s GLN 161 N 2.43 1.86 0.00 5.54 -0.21 -1.26 -5.13 119.66 122.88 3kae s GLN 161 Ca 0.56 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 54.54 3kae s GLN 161 Cb -0.24 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3kae s GLN 161 CO 0.21 0.41 0.00 0.36 -2.12 0.00 0.00 175.29 174.15 3kae n LYS 162 N 0.03 2.97 0.00 2.91 -0.00 -1.26 -5.02 118.16 117.79 3kae n LYS 162 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 3kae n LYS 162 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.59 3kae n LYS 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kae n ARG 163 N 0.00 -0.48 0.00 -1.58 0.63 -1.26 -5.31 116.66 108.65 3kae n ARG 163 Ca 0.00 -0.36 0.00 0.00 -0.92 0.00 0.00 57.85 56.57 3kae n ARG 163 Cb 0.00 -0.81 0.00 0.00 0.45 0.00 0.00 32.46 32.10 3kae n ARG 163 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3kae n ASP 164 N -0.02 0.00 0.00 6.15 9.92 -1.26 -5.39 116.55 125.95 3kae n ASP 164 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3kae n ASP 164 Cb 0.11 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 3kae n ASP 164 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3kae n ARG 173 N -0.38 0.00 -4.48 -1.24 3.00 -1.26 -5.32 116.66 106.98 3kae n ARG 173 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 3kae n ARG 173 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 3kae n ARG 173 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kae s ARG 174 N -0.19 1.93 0.00 -0.14 3.00 -1.26 -4.91 118.95 117.38 3kae s ARG 174 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 55.73 54.65 3kae s ARG 174 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 34.95 32.80 3kae s ARG 174 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 175.30 176.22 3kae n GLY 175 N 1.17 3.57 0.23 -3.53 0.00 -1.26 -4.80 105.19 100.58 3kae n GLY 175 Ca -0.16 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 44.76 3kae n GLY 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kae h ILE 176 N 1.00 1.21 -0.03 -0.61 2.10 -1.99 -1.08 117.51 118.12 3kae h ILE 176 Ca 0.00 -0.96 -0.17 0.00 1.08 0.00 0.00 64.86 64.81 3kae h ILE 176 Cb 0.00 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 3kae h ILE 176 CO 0.00 0.30 -0.75 1.05 -1.08 0.00 0.00 178.15 177.67 3kae h GLU 177 N 0.26 0.21 -0.01 2.19 9.09 -1.99 -1.73 114.58 122.60 3kae h GLU 177 Ca 0.05 -0.18 -0.14 0.00 0.05 0.00 0.00 59.36 59.14 3kae h GLU 177 Cb 0.47 0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.60 3kae h GLU 177 CO 0.03 0.86 -0.65 0.93 0.05 0.00 0.00 179.01 180.23 3kae h GLU 178 N 0.13 0.02 -0.20 1.06 4.39 -1.76 -1.85 114.58 116.39 3kae h GLU 178 Ca -0.03 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 3kae h GLU 178 Cb 1.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 3kae h GLU 178 CO 0.11 0.66 -0.30 1.49 -1.16 0.00 0.00 179.01 179.82 3kae h GLU 179 N 0.02 0.39 -0.42 2.33 4.81 -1.11 -1.69 114.58 118.91 3kae h GLU 179 Ca -0.01 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3kae h GLU 179 Cb 1.15 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3kae h GLU 179 CO 0.09 0.65 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.97 3kae h TYR 180 N 0.34 0.83 -0.22 0.92 5.03 -0.64 -0.82 116.97 122.41 3kae h TYR 180 Ca 0.05 -0.16 -0.11 0.00 2.58 0.00 0.00 58.73 61.08 3kae h TYR 180 Cb 0.70 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.77 3kae h TYR 180 CO 0.02 0.84 -0.31 0.28 -1.32 0.00 0.00 178.16 177.67 3kae h VAL 181 N 0.68 1.32 -0.26 1.81 2.07 -1.23 -2.19 116.25 118.46 3kae h VAL 181 Ca 0.11 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 66.17 3kae h VAL 181 Cb 0.61 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3kae h VAL 181 CO 0.04 0.47 0.00 0.28 0.02 0.00 0.00 177.57 178.38 3kae h SER 182 N 0.29 -0.10 -0.85 0.57 0.02 -1.10 -0.41 113.55 111.97 3kae h SER 182 Ca 0.02 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kae h SER 182 Cb 0.89 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3kae h SER 182 CO 0.07 -0.02 0.55 0.44 -1.14 0.00 0.00 176.83 176.73 3kae h ASP 183 N 0.08 1.00 -0.26 3.07 3.32 -1.15 -1.18 116.42 121.30 3kae h ASP 183 Ca 0.12 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3kae h ASP 183 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3kae h ASP 183 CO -0.20 0.74 0.09 0.28 -1.72 0.00 0.00 179.24 178.43 3kae h SER 184 N 1.16 0.36 -0.50 6.45 0.02 -0.94 0.34 113.55 120.45 3kae h SER 184 Ca 0.31 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3kae h SER 184 Cb -0.10 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3kae h SER 184 CO -0.06 0.44 0.31 0.40 -1.14 0.00 0.00 176.83 176.78 3kae h ILE 185 N 0.26 1.09 -0.38 3.27 2.04 -0.75 -1.25 117.51 121.78 3kae h ILE 185 Ca 0.08 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3kae h ILE 185 Cb 0.20 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3kae h ILE 185 CO -0.01 0.12 0.14 -0.08 0.00 0.00 0.00 178.15 178.32 3kae h GLU 186 N 0.63 0.58 -0.48 2.37 4.81 -0.85 -2.90 114.58 118.73 3kae h GLU 186 Ca 0.19 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3kae h GLU 186 Cb -0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3kae h GLU 186 CO -0.07 0.56 0.02 0.35 -0.73 0.00 0.00 179.01 179.14 3kae h PHE 187 N 0.47 0.84 -0.57 0.92 3.04 -0.06 0.04 116.94 121.62 3kae h PHE 187 Ca 0.13 -0.11 0.08 0.00 3.98 0.00 0.00 57.97 62.05 3kae h PHE 187 Cb 0.21 -0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.42 3kae h PHE 187 CO 0.00 0.77 0.21 1.25 -2.02 0.00 0.00 178.31 178.52 3kae h HIS 188 N 0.74 0.37 0.00 0.41 2.76 -1.03 0.89 115.15 119.30 3kae h HIS 188 Ca 0.15 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3kae h HIS 188 Cb 0.43 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.31 3kae h HIS 188 CO 0.02 0.11 -0.67 0.39 -1.30 0.00 0.00 177.93 176.48 3kae n GLU 189 N -4.99 0.05 0.00 5.26 4.71 -1.02 -4.40 120.64 120.25 3kae n GLU 189 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3kae n GLU 189 Cb 0.24 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 3kae n GLU 189 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3kae n SER 190 N -1.60 3.55 -2.50 1.62 3.41 -0.03 -5.01 113.62 113.08 3kae n SER 190 Ca 0.05 -0.12 -0.15 0.00 -0.26 0.00 0.00 58.87 58.39 3kae n SER 190 Cb 0.35 0.94 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 3kae n SER 190 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kae n LEU 191 N -1.30 -1.42 -4.56 1.04 4.32 0.31 -4.83 117.00 110.56 3kae n LEU 191 Ca 0.00 0.10 -0.47 0.00 -0.02 0.00 0.00 56.01 55.62 3kae n LEU 191 Cb 0.00 -2.37 -0.05 0.00 -1.62 0.00 0.00 43.42 39.38 3kae n LEU 191 CO 0.00 -0.12 1.77 -0.24 -1.22 0.00 0.00 177.39 177.57 3kae n SER 192 N -1.91 2.93 0.23 -1.43 2.88 -1.26 -4.87 113.62 110.19 3kae n SER 192 Ca -0.16 0.43 0.08 0.00 -1.33 0.00 0.00 58.87 57.88 3kae n SER 192 Cb 0.63 -1.42 0.56 0.00 -0.75 0.00 0.00 64.21 63.23 3kae n SER 192 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kae h PRO 193 N 12.99 0.00 -0.20 -1.46 0.11 -1.99 -1.69 132.00 139.76 3kae h PRO 193 Ca -0.38 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 3kae h PRO 193 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3kae h PRO 193 CO 0.98 0.19 -0.18 0.66 -0.21 0.00 0.00 178.00 179.44 3kae h SER 194 N 0.00 0.33 -0.14 -2.05 4.64 -1.99 -1.35 113.55 112.98 3kae h SER 194 Ca -0.00 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3kae h SER 194 Cb 0.37 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3kae h SER 194 CO 0.02 0.53 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.33 3kae h LEU 195 N 0.31 0.35 -0.89 5.97 4.07 -1.70 -1.78 115.31 121.65 3kae h LEU 195 Ca 0.06 -0.46 0.03 0.00 0.08 0.00 0.00 57.88 57.58 3kae h LEU 195 Cb 0.50 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.09 3kae h LEU 195 CO 0.03 0.74 0.58 0.58 -1.08 0.00 0.00 178.44 179.28 3kae h VAL 196 N -0.03 1.17 -0.13 1.22 2.07 -1.36 -2.06 116.25 117.13 3kae h VAL 196 Ca 0.03 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 3kae h VAL 196 Cb 0.63 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3kae h VAL 196 CO 0.03 0.21 -0.57 0.11 0.02 0.00 0.00 177.57 177.37 3kae h LYS 197 N 1.13 0.39 -0.52 1.57 6.56 -1.25 -1.54 116.57 122.91 3kae h LYS 197 Ca 0.35 -0.25 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 3kae h LYS 197 Cb -0.03 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 3kae h LYS 197 CO -0.11 0.85 0.24 -0.22 -2.06 0.00 0.00 179.45 178.16 3kae h LYS 198 N 0.30 0.76 -0.00 3.15 3.64 -0.78 -3.01 116.57 120.63 3kae h LYS 198 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3kae h LYS 198 Cb 1.08 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3kae h LYS 198 CO 0.10 0.64 -0.34 0.66 -2.27 0.00 0.00 179.45 178.24 3kae n TYR 199 N -4.57 0.00 0.14 1.91 4.01 -0.82 -3.76 117.16 114.06 3kae n TYR 199 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 3kae n TYR 199 Cb 0.13 -0.28 0.35 0.00 -0.31 0.00 0.00 39.34 39.23 3kae n TYR 199 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3kae h MET 200 N 0.19 0.14 0.00 -0.72 4.05 -1.14 -2.70 114.93 114.76 3kae h MET 200 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3kae h MET 200 Cb 0.49 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3kae h MET 200 CO 0.00 0.41 0.00 0.93 0.23 0.00 0.00 176.91 178.48 3kae h GLU 201 N 0.13 0.00 -1.94 0.39 3.07 -1.66 -3.30 114.58 111.27 3kae h GLU 201 Ca 0.02 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.21 3kae h GLU 201 Cb 0.56 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.11 3kae h GLU 201 CO 0.04 0.00 -0.02 0.72 -1.40 0.00 0.00 179.01 178.35 3kae n HIS 202 N -2.34 3.38 -3.87 4.33 -0.00 -1.02 -4.92 115.22 110.78 3kae n HIS 202 Ca 0.03 -3.08 -0.28 0.00 -0.00 0.00 0.00 57.72 54.40 3kae n HIS 202 Cb 0.31 -0.61 -0.17 0.00 -0.00 0.00 0.00 29.99 29.52 3kae n HIS 202 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kae s VAL 203 N -4.97 1.00 0.60 1.59 1.01 -1.24 -0.17 120.40 118.22 3kae s VAL 203 Ca 0.48 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3kae s VAL 203 Cb 0.34 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3kae s VAL 203 CO -0.22 0.10 1.11 -2.84 0.00 0.00 0.00 175.10 173.26 3kae s PRO 204 N 1.68 3.10 0.00 2.72 0.02 -1.25 -4.87 135.00 136.41 3kae s PRO 204 Ca 0.01 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.49 3kae s PRO 204 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3kae s PRO 204 CO -0.07 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 175.98 3kae n GLY 205 N -0.27 0.76 0.33 0.52 0.00 -1.07 -4.83 105.19 100.64 3kae n GLY 205 Ca 0.11 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3kae n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kae h ILE 206 N 0.00 0.82 -0.21 -0.61 2.10 -1.94 -1.16 117.51 116.52 3kae h ILE 206 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 3kae h ILE 206 Cb 0.00 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 36.56 3kae h ILE 206 CO 0.00 0.00 -0.06 1.23 -1.08 0.00 0.00 178.15 178.24 3kae h GLY 207 N 0.00 0.34 0.74 8.18 0.00 -0.72 -2.38 103.07 109.23 3kae h GLY 207 Ca 0.15 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.34 3kae h GLY 207 CO -0.00 0.18 0.61 1.76 0.00 0.00 0.00 176.54 179.10 3kae h SER 208 N 0.31 0.98 0.10 0.19 0.02 -1.21 0.20 113.55 114.14 3kae h SER 208 Ca 0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3kae h SER 208 Cb 0.32 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3kae h SER 208 CO 0.01 0.63 -0.05 1.88 -1.14 0.00 0.00 176.83 178.16 3kae h TYR 209 N 1.12 -0.13 0.18 3.45 0.05 -1.55 -2.38 116.97 117.72 3kae h TYR 209 Ca 0.41 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.20 3kae h TYR 209 Cb 0.16 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 3kae h TYR 209 CO -0.01 0.36 -0.24 0.35 -1.05 0.00 0.00 178.16 177.56 3kae h PHE 210 N -0.70 -0.65 -0.40 4.88 3.57 -1.12 0.66 116.94 123.17 3kae h PHE 210 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3kae h PHE 210 Cb 0.54 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 3kae h PHE 210 CO 0.09 -0.35 0.19 0.82 -2.23 0.00 0.00 178.31 176.83 3kae h ILE 211 N -0.48 1.14 -0.14 1.41 1.08 -0.74 0.22 117.51 120.00 3kae h ILE 211 Ca 0.01 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3kae h ILE 211 Cb 0.48 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3kae h ILE 211 CO -0.10 0.16 0.03 0.28 -0.69 0.00 0.00 178.15 177.84 3kae h SER 212 N 0.56 0.21 -0.78 1.72 0.02 -0.85 -0.46 113.55 113.97 3kae h SER 212 Ca 0.14 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3kae h SER 212 Cb 0.07 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3kae h SER 212 CO -0.02 0.39 0.37 0.78 -1.14 0.00 0.00 176.83 177.21 3kae h ASN 213 N 0.02 1.04 -0.27 3.07 2.35 -0.30 -2.51 115.58 118.97 3kae h ASN 213 Ca 0.04 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3kae h ASN 213 Cb 0.26 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3kae h ASN 213 CO 0.00 0.88 -0.13 0.00 -1.65 0.00 0.00 177.43 176.53 3kae h ALA 214 N 1.28 0.09 -0.53 -0.83 0.00 -0.24 -0.80 119.26 118.22 3kae h ALA 214 Ca 0.27 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.37 3kae h ALA 214 Cb 0.12 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3kae h ALA 214 CO -0.03 -0.54 0.36 0.00 0.00 0.00 0.00 179.25 179.04 3kae h ALA 215 N 1.12 2.02 -0.02 0.00 0.00 -0.68 -0.67 119.26 121.03 3kae h ALA 215 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3kae h ALA 215 Cb 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kae h ALA 215 CO -0.33 -0.14 -0.36 -0.09 0.00 0.00 0.00 179.25 178.33 3kae h ARG 216 N 0.36 0.28 -0.57 0.00 2.43 -0.87 -2.40 114.38 113.61 3kae h ARG 216 Ca 0.24 -0.28 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3kae h ARG 216 Cb 0.48 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 3kae h ARG 216 CO -0.06 0.97 0.31 -0.09 -1.51 0.00 0.00 179.97 179.59 3kae h ARG 217 N -0.30 0.58 -0.69 0.20 9.65 -0.60 -1.72 114.38 121.49 3kae h ARG 217 Ca -0.04 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3kae h ARG 217 Cb 1.08 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.47 3kae h ARG 217 CO 0.07 0.38 0.38 1.88 2.80 0.00 0.00 179.97 185.49 3kae h TYR 218 N 0.59 0.70 0.06 2.20 0.05 -1.11 -2.12 116.97 117.34 3kae h TYR 218 Ca 0.25 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.05 3kae h TYR 218 Cb 0.14 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.66 3kae h TYR 218 CO -0.09 0.32 -0.03 0.35 -1.05 0.00 0.00 178.16 177.66 3kae h PHE 219 N 0.69 -0.08 -0.06 4.88 3.04 -0.86 -1.88 116.94 122.68 3kae h PHE 219 Ca 0.32 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.28 3kae h PHE 219 Cb 0.22 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 3kae h PHE 219 CO -0.08 0.06 0.29 -0.91 -2.02 0.00 0.00 178.31 175.65 3kae h ASN 220 N -0.20 0.00 -0.04 0.41 2.35 -1.04 0.26 115.58 117.32 3kae h ASN 220 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kae h ASN 220 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3kae h ASN 220 CO 0.01 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 3kae n LEU 221 N -3.07 2.54 0.00 1.61 4.77 -0.80 -4.94 117.00 117.11 3kae n LEU 221 Ca -0.01 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3kae n LEU 221 Cb 0.36 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kae n LEU 221 CO 0.17 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3kae n GLY 222 N 1.30 2.13 3.15 -0.72 0.00 0.90 -4.94 105.19 107.00 3kae n GLY 222 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kae n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kae n MET 223 N -2.00 2.36 0.22 1.61 2.81 -0.78 -4.73 117.12 116.61 3kae n MET 223 Ca 0.00 -2.52 0.07 0.00 -1.81 0.00 0.00 57.70 53.44 3kae n MET 223 Cb 0.00 -3.30 0.50 0.00 -0.71 0.00 0.00 33.22 29.71 3kae n MET 223 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3kae h ASN 224 N 7.44 0.00 0.47 7.83 2.35 -1.88 -2.43 115.58 129.35 3kae h ASN 224 Ca 0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.18 3kae h ASN 224 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3kae h ASN 224 CO 1.71 0.25 -0.22 0.44 -1.65 0.00 0.00 177.43 177.96 3kae h ASP 225 N 0.00 -0.53 -0.29 5.81 3.45 -1.95 -1.45 116.42 121.46 3kae h ASP 225 Ca -0.00 -0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 3kae h ASP 225 Cb 0.51 0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.39 3kae h ASP 225 CO 0.03 -0.27 -0.09 0.11 -1.57 0.00 0.00 179.24 177.45 3kae h LYS 226 N -0.77 0.69 -0.29 3.56 1.79 -1.95 -2.32 116.57 117.28 3kae h LYS 226 Ca -0.06 -0.21 0.06 0.00 -2.18 0.00 0.00 60.65 58.26 3kae h LYS 226 Cb 0.55 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 3kae h LYS 226 CO 0.10 0.77 -0.09 1.03 -1.08 0.00 0.00 179.45 180.18 3kae h SER 227 N 0.63 -0.32 -0.12 0.86 0.87 -1.29 -0.74 113.55 113.44 3kae h SER 227 Ca 0.11 0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 3kae h SER 227 Cb 0.53 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3kae h SER 227 CO 0.03 -0.12 -0.38 0.11 -0.53 0.00 0.00 176.83 175.94 3kae h LYS 228 N -0.03 0.64 0.22 2.24 1.57 -1.14 -2.12 116.57 117.95 3kae h LYS 228 Ca 0.14 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3kae h LYS 228 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3kae h LYS 228 CO -0.32 0.91 -0.29 0.00 -0.57 0.00 0.00 179.45 179.19 3kae h ALA 229 N 1.05 -0.57 -0.23 3.86 0.00 -0.93 0.35 119.26 122.79 3kae h ALA 229 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kae h ALA 229 Cb 0.90 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3kae h ALA 229 CO 0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 179.25 178.39 3kae h PHE 231 N -0.02 0.34 -0.80 0.00 0.04 -1.20 -2.77 116.94 112.52 3kae h PHE 231 Ca 0.12 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.95 3kae h PHE 231 Cb 0.20 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 3kae h PHE 231 CO -0.25 0.26 0.48 0.93 -0.60 0.00 0.00 178.31 179.12 3kae h GLU 232 N 0.32 0.84 0.17 1.51 3.07 -0.01 0.44 114.58 120.93 3kae h GLU 232 Ca 0.09 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3kae h GLU 232 Cb 0.02 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 27.69 3kae h GLU 232 CO -0.02 0.56 -0.42 1.25 -1.40 0.00 0.00 179.01 178.98 3kae h LEU 233 N 0.87 -1.22 -0.85 1.33 5.85 -0.87 -2.14 115.31 118.28 3kae h LEU 233 Ca 0.36 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.19 3kae h LEU 233 Cb 0.21 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3kae h LEU 233 CO -0.19 -0.50 0.46 0.58 -0.34 0.00 0.00 178.44 178.45 3kae h VAL 234 N -0.68 1.25 -0.52 1.05 2.07 -1.28 -0.71 116.25 117.43 3kae h VAL 234 Ca 0.01 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.04 3kae h VAL 234 Cb 0.69 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3kae h VAL 234 CO -0.21 0.28 0.37 0.03 0.02 0.00 0.00 177.57 178.06 3kae h ARG 235 N 1.19 0.05 0.03 1.57 -0.00 -0.57 0.14 114.38 116.77 3kae h ARG 235 Ca 0.30 -0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.44 3kae h ARG 235 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 29.96 3kae h ARG 235 CO -0.05 0.03 -1.89 2.89 0.00 0.00 0.00 179.97 180.96 3kae n ARG 236 N -4.40 0.62 0.00 0.04 1.85 -0.81 -2.93 116.66 111.04 3kae n ARG 236 Ca 0.09 0.38 0.14 0.00 -1.00 0.00 0.00 57.85 57.46 3kae n ARG 236 Cb 0.56 -1.65 0.59 0.00 -1.05 0.00 0.00 32.46 30.91 3kae n ARG 236 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3kae n LYS 237 N -4.04 0.04 -2.72 2.89 5.02 -0.34 -4.35 118.16 114.66 3kae n LYS 237 Ca -0.39 -0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 55.81 3kae n LYS 237 Cb 0.85 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.45 3kae n LYS 237 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kae n ASP 238 N -1.48 -2.17 0.11 4.39 4.64 0.46 -3.74 116.55 118.76 3kae n ASP 238 Ca 0.07 -3.33 0.06 0.00 -1.38 0.00 0.00 54.79 50.22 3kae n ASP 238 Cb 0.33 1.78 0.52 0.00 -1.04 0.00 0.00 41.12 42.71 3kae n ASP 238 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3kae h PRO 239 N 2.93 0.29 0.00 -0.67 0.11 -1.42 -1.45 132.00 131.80 3kae h PRO 239 Ca -0.14 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.82 3kae h PRO 239 Cb 1.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3kae h PRO 239 CO 0.12 0.19 -0.60 0.52 -0.21 0.00 0.00 178.00 178.02 3kae h MET 240 N 0.30 0.00 0.06 1.05 2.86 -1.87 -3.29 114.93 114.04 3kae h MET 240 Ca 0.09 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3kae h MET 240 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 3kae h MET 240 CO -0.02 0.60 -0.39 0.35 1.06 0.00 0.00 176.91 178.51 3kae h PHE 241 N 0.00 -1.09 0.00 -0.22 3.57 -1.60 -3.54 116.94 114.06 3kae h PHE 241 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kae h PHE 241 Cb 1.27 0.47 0.00 0.00 2.79 0.00 0.00 35.95 40.48 3kae h PHE 241 CO 0.00 -0.48 0.00 1.28 -2.23 0.00 0.00 178.31 176.88