#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kae h LYS 4 N 0.00 0.00 0.00 -1.46 5.09 -2.05 -2.76 116.57 115.40 3kae h LYS 4 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 3kae h LYS 4 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 3kae h LYS 4 CO 0.00 0.00 -0.00 -0.07 -2.09 0.00 0.00 179.45 177.29 3kae h LEU 5 N 0.00 0.00 0.98 7.07 3.38 -2.00 -3.03 115.31 121.71 3kae h LEU 5 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kae h LEU 5 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kae h LEU 5 CO 0.00 0.00 -0.47 0.40 0.09 0.00 0.00 178.44 178.46 3kae h ILE 6 N 0.00 0.02 -0.99 1.22 1.08 -1.89 -1.04 117.51 115.91 3kae h ILE 6 Ca -0.00 -0.02 0.23 0.00 -0.39 0.00 0.00 64.86 64.69 3kae h ILE 6 Cb 0.01 0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 33.69 3kae h ILE 6 CO 0.00 0.00 0.64 1.23 -0.69 0.00 0.00 178.15 179.33 3kae h GLY 7 N -1.33 1.23 1.41 5.37 0.00 -1.75 0.36 103.07 108.36 3kae h GLY 7 Ca -0.13 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3kae h GLY 7 CO 0.22 -0.08 -0.59 0.50 0.00 0.00 0.00 176.54 176.59 3kae h LYS 8 N 0.47 0.62 -0.23 4.80 1.57 -1.48 -1.65 116.57 120.67 3kae h LYS 8 Ca 0.56 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3kae h LYS 8 Cb 1.29 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 3kae h LYS 8 CO -0.28 1.03 -0.04 0.82 -0.57 0.00 0.00 179.45 180.41 3kae h ILE 9 N 0.46 1.28 -0.65 1.86 2.04 0.38 -1.09 117.51 121.79 3kae h ILE 9 Ca -0.00 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 64.90 3kae h ILE 9 Cb 1.16 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.67 3kae h ILE 9 CO 0.11 0.31 0.38 0.00 0.00 0.00 0.00 178.15 178.95 3kae h LYS 11 N 0.71 0.60 -0.03 0.00 3.64 -1.13 -0.68 116.57 119.68 3kae h LYS 11 Ca 0.28 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 3kae h LYS 11 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3kae h LYS 11 CO -0.15 0.52 -0.75 0.77 -2.27 0.00 0.00 179.45 177.56 3kae h SER 12 N 0.60 0.29 0.29 4.20 0.02 0.20 -2.00 113.55 117.14 3kae h SER 12 Ca 0.14 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3kae h SER 12 Cb 0.15 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3kae h SER 12 CO -0.01 0.94 -0.14 0.40 -1.14 0.00 0.00 176.83 176.88 3kae h ILE 13 N 0.16 0.73 -0.97 3.27 2.04 -0.59 0.43 117.51 122.57 3kae h ILE 13 Ca -0.03 -0.58 0.28 0.00 1.00 0.00 0.00 64.86 65.53 3kae h ILE 13 Cb 1.32 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3kae h ILE 13 CO 0.12 0.11 0.72 -0.09 0.00 0.00 0.00 178.15 179.01 3kae h ARG 14 N -0.72 0.00 -0.25 2.37 2.43 -1.09 0.88 114.38 118.00 3kae h ARG 14 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3kae h ARG 14 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3kae h ARG 14 CO 0.07 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.19 3kae n TYR 15 N -4.16 0.32 -1.87 2.20 4.02 -0.76 -4.92 117.16 111.99 3kae n TYR 15 Ca 0.20 -0.16 -0.21 0.00 -0.01 0.00 0.00 57.90 57.72 3kae n TYR 15 Cb 1.05 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.31 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 1.04 -1.52 -2.97 -0.72 5.12 0.31 -4.90 116.66 113.02 3kae n ARG 16 Ca 0.18 1.16 -0.44 0.00 -1.93 0.00 0.00 57.85 56.82 3kae n ARG 16 Cb 0.51 -5.64 -0.01 0.00 -1.16 0.00 0.00 32.46 26.16 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 -2.54 6.97 0.05 0.55 2.15 0.14 -4.85 116.67 119.14 3kae s ASP 17 Ca 0.00 -2.80 -0.12 0.00 0.43 0.00 0.00 52.55 50.06 3kae s ASP 17 Cb 0.00 -2.39 -0.32 0.00 -0.30 0.00 0.00 42.92 39.91 3kae s ASP 17 CO 0.00 -0.80 1.06 1.88 -0.17 0.00 0.00 175.17 177.14 3kae h TYR 18 N 7.54 0.85 -0.63 -5.34 0.05 -1.91 -3.03 116.97 114.50 3kae h TYR 18 Ca 0.27 -0.61 0.13 0.00 0.05 0.00 0.00 58.73 58.57 3kae h TYR 18 Cb 0.91 -0.04 -0.11 0.00 1.01 0.00 0.00 36.73 38.51 3kae h TYR 18 CO 1.10 1.47 -0.00 0.93 -1.05 0.00 0.00 178.16 180.60 3kae h GLU 19 N 0.14 0.11 -0.59 4.88 4.39 -1.95 0.39 114.58 121.95 3kae h GLU 19 Ca -0.21 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.52 3kae h GLU 19 Cb 2.08 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.66 3kae h GLU 19 CO 0.25 0.07 0.35 1.15 -1.16 0.00 0.00 179.01 179.67 3kae h THR 20 N 0.11 1.03 -0.57 1.13 2.02 -1.96 -0.75 112.91 113.92 3kae h THR 20 Ca 0.33 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 3kae h THR 20 Cb 0.54 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3kae h THR 20 CO -0.55 0.12 -0.03 0.00 0.37 0.00 0.00 175.52 175.43 3kae h ALA 21 N 1.28 0.77 -0.15 6.16 0.00 -0.90 0.17 119.26 126.60 3kae h ALA 21 Ca 0.25 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kae h ALA 21 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kae h ALA 21 CO -0.13 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.64 3kae h ILE 22 N 0.91 1.12 0.28 0.00 2.04 -0.07 0.62 117.51 122.41 3kae h ILE 22 Ca 0.16 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3kae h ILE 22 Cb 0.59 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3kae h ILE 22 CO 0.04 0.11 -0.16 0.15 0.00 0.00 0.00 178.15 178.29 3kae h PHE 23 N 0.11 -0.41 0.00 1.37 3.04 -0.84 0.19 116.94 120.39 3kae h PHE 23 Ca 0.05 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3kae h PHE 23 Cb 0.11 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 3kae h PHE 23 CO -0.03 -0.25 -0.06 -0.07 -2.02 0.00 0.00 178.31 175.87 3kae h LEU 24 N -0.41 0.00 -0.21 0.59 3.38 -0.65 -1.44 115.31 116.56 3kae h LEU 24 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3kae h LEU 24 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kae h LEU 24 CO 0.04 0.06 -0.46 0.00 0.09 0.00 0.00 178.44 178.17 3kae h ALA 25 N 1.94 0.34 -0.40 1.53 0.00 -0.40 -2.95 119.26 119.31 3kae h ALA 25 Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3kae h ALA 25 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kae h ALA 25 CO 0.01 0.49 0.27 0.00 0.00 0.00 0.00 179.25 180.01 3kae h ALA 26 N 0.60 1.85 -0.04 0.00 0.00 0.07 -0.63 119.26 121.10 3kae h ALA 26 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kae h ALA 26 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kae h ALA 26 CO 0.10 0.10 -0.41 0.00 0.00 0.00 0.00 179.25 179.04 3kae h LEU 28 N 0.08 0.00 -0.90 0.00 5.85 -0.97 -3.34 115.31 116.03 3kae h LEU 28 Ca 0.01 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.99 3kae h LEU 28 Cb 0.76 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.62 3kae h LEU 28 CO 0.06 0.56 0.09 0.18 -0.34 0.00 0.00 178.44 178.98 3kae n LEU 29 N -3.04 -0.04 -2.34 2.25 4.77 -0.92 -1.19 117.00 116.48 3kae n LEU 29 Ca -0.04 1.53 0.00 0.00 -0.03 0.00 0.00 56.01 57.47 3kae n LEU 29 Cb 0.80 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kae n LEU 29 CO 0.42 -1.58 0.34 -2.65 -1.33 0.00 0.00 177.39 172.60 3kae n PRO 30 N -5.29 0.00 -0.82 3.23 -0.02 -1.26 -2.18 135.00 128.68 3kae n PRO 30 Ca 0.23 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 3kae n PRO 30 Cb 0.77 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.71 3kae n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kae n LYS 32 N -0.02 0.00 -1.81 0.00 -0.00 -0.93 -5.02 118.16 110.39 3kae n LYS 32 Ca -0.16 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.96 3kae n LYS 32 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.48 3kae n LYS 32 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 3kae n TYR 35 N 1.56 -0.28 0.18 5.58 0.18 -1.26 -4.86 117.16 118.25 3kae n TYR 35 Ca 0.00 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.86 3kae n TYR 35 Cb 0.00 -3.40 0.09 0.00 -0.38 0.00 0.00 39.34 35.66 3kae n TYR 35 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3kae h ARG 36 N 0.00 0.00 -0.37 -3.48 2.43 -1.95 -3.24 114.38 107.77 3kae h ARG 36 Ca -0.41 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3kae h ARG 36 Cb 1.28 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 3kae h ARG 36 CO 0.57 0.20 0.17 1.98 -1.51 0.00 0.00 179.97 181.38 3kae h MET 37 N 0.00 0.35 -0.92 0.20 4.05 -1.94 -2.25 114.93 114.42 3kae h MET 37 Ca -0.01 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3kae h MET 37 Cb 1.17 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.84 3kae h MET 37 CO 0.03 0.23 0.60 1.25 0.23 0.00 0.00 176.91 179.25 3kae h LEU 38 N 0.36 1.07 -0.26 3.39 5.85 -1.99 0.09 115.31 123.82 3kae h LEU 38 Ca 0.16 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kae h LEU 38 Cb 0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3kae h LEU 38 CO -0.12 0.78 0.16 -0.03 -0.34 0.00 0.00 178.44 178.89 3kae h MET 39 N 1.25 0.34 -0.44 1.25 4.05 -1.61 -1.92 114.93 117.87 3kae h MET 39 Ca 0.34 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.76 3kae h MET 39 Cb -0.13 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.56 3kae h MET 39 CO -0.07 0.26 0.23 0.77 0.23 0.00 0.00 176.91 178.33 3kae h SER 40 N 0.33 0.35 0.45 1.39 0.02 -0.47 -1.50 113.55 114.12 3kae h SER 40 Ca 0.09 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3kae h SER 40 Cb -0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kae h SER 40 CO -0.02 0.25 -0.22 0.40 -1.14 0.00 0.00 176.83 176.11 3kae h ILE 41 N 0.46 0.56 -0.53 3.27 2.04 -0.91 0.28 117.51 122.68 3kae h ILE 41 Ca 0.18 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.07 3kae h ILE 41 Cb 0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3kae h ILE 41 CO -0.11 0.00 0.35 0.58 0.00 0.00 0.00 178.15 178.97 3kae h VAL 42 N -0.61 1.04 -0.48 1.67 2.07 -1.28 0.32 116.25 118.97 3kae h VAL 42 Ca -0.06 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 3kae h VAL 42 Cb 0.47 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3kae h VAL 42 CO 0.10 0.10 -0.16 0.25 0.02 0.00 0.00 177.57 177.88 3kae h LEU 43 N 0.57 0.98 0.06 2.57 5.85 -0.99 -1.60 115.31 122.75 3kae h LEU 43 Ca 0.22 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3kae h LEU 43 Cb 0.15 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kae h LEU 43 CO -0.06 1.13 -0.03 0.22 -0.34 0.00 0.00 178.44 179.37 3kae h TYR 44 N 0.81 -0.07 -0.42 1.25 3.20 0.11 0.45 116.97 122.31 3kae h TYR 44 Ca 0.12 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.09 3kae h TYR 44 Cb 0.73 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3kae h TYR 44 CO 0.05 0.03 0.29 -0.07 -1.64 0.00 0.00 178.16 176.82 3kae h LEU 45 N -0.16 0.07 -0.69 2.82 3.38 -0.34 0.24 115.31 120.62 3kae h LEU 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kae h LEU 45 Cb 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kae h LEU 45 CO 0.01 0.04 0.00 -3.20 0.09 0.00 0.00 178.44 175.38 3kae n ASN 46 N -4.43 1.04 0.00 -0.43 4.05 -0.61 -4.89 115.26 109.99 3kae n ASN 46 Ca 0.07 -1.64 0.00 0.00 0.45 0.00 0.00 54.58 53.45 3kae n ASN 46 Cb 0.44 -0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.38 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 0.98 0.55 3.08 8.20 0.00 0.07 -5.00 105.19 113.08 3kae n GLY 47 Ca 0.14 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.81 3.17 -0.06 1.61 1.02 0.11 -4.89 120.64 118.79 3kae n GLU 48 Ca 0.00 -4.51 -0.15 0.00 -0.02 0.00 0.00 57.16 52.48 3kae n GLU 48 Cb 0.00 -2.45 -0.06 0.00 -0.02 0.00 0.00 31.44 28.91 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 5.88 0.95 -0.59 -0.32 0.05 -1.89 -1.54 116.97 119.52 3kae h TYR 49 Ca 0.18 -0.36 -0.07 0.00 0.05 0.00 0.00 58.73 58.52 3kae h TYR 49 Cb 0.78 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 3kae h TYR 49 CO 0.78 1.16 0.07 1.15 -1.05 0.00 0.00 178.16 180.28 3kae h THR 50 N 0.47 1.25 -0.21 -2.88 2.02 -1.91 -0.67 112.91 110.98 3kae h THR 50 Ca -0.00 -1.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.05 3kae h THR 50 Cb 1.14 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3kae h THR 50 CO 0.12 0.37 -0.43 0.03 0.37 0.00 0.00 175.52 175.97 3kae h ARG 51 N 0.90 0.50 -0.07 6.66 3.08 -1.95 -2.69 114.38 120.81 3kae h ARG 51 Ca 0.18 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 3kae h ARG 51 Cb 0.42 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3kae h ARG 51 CO 0.01 0.84 -0.56 0.00 -1.07 0.00 0.00 179.97 179.20 3kae h ALA 52 N 1.13 0.93 -0.61 0.04 0.00 -0.86 -2.81 119.26 117.08 3kae h ALA 52 Ca 0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3kae h ALA 52 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kae h ALA 52 CO 0.08 0.70 -0.01 -0.07 0.00 0.00 0.00 179.25 179.95 3kae h LEU 53 N 0.17 1.06 -0.55 0.00 3.38 -0.94 -0.60 115.31 117.83 3kae h LEU 53 Ca -0.00 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.77 3kae h LEU 53 Cb 1.03 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 3kae h LEU 53 CO 0.08 1.11 0.01 0.15 0.09 0.00 0.00 178.44 179.89 3kae h PHE 54 N 0.98 -0.02 -0.08 1.13 3.04 -1.21 0.19 116.94 120.97 3kae h PHE 54 Ca 0.17 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 62.01 3kae h PHE 54 Cb 0.57 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 3kae h PHE 54 CO 0.04 -0.13 -0.60 0.45 -2.02 0.00 0.00 178.31 176.05 3kae h HIS 55 N 0.12 0.35 -0.13 0.41 3.86 -1.40 -3.27 115.15 115.09 3kae h HIS 55 Ca 0.28 -0.13 -0.17 0.00 -1.16 0.00 0.00 60.37 59.19 3kae h HIS 55 Cb 0.44 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3kae h HIS 55 CO -0.33 0.81 -0.63 -0.07 0.86 0.00 0.00 177.93 178.57 3kae h LEU 56 N 0.20 0.53 -1.94 2.43 3.38 0.27 -2.58 115.31 117.60 3kae h LEU 56 Ca -0.01 -0.31 0.14 0.00 0.09 0.00 0.00 57.88 57.79 3kae h LEU 56 Cb 1.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3kae h LEU 56 CO 0.10 1.02 0.36 0.45 0.09 0.00 0.00 178.44 180.46 3kae h HIS 57 N 0.34 0.07 0.00 1.13 3.86 -0.73 0.97 115.15 120.79 3kae h HIS 57 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3kae h HIS 57 Cb 1.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.62 3kae h HIS 57 CO 0.04 0.03 0.00 1.63 0.86 0.00 0.00 177.93 180.49 3kae n LYS 58 N -4.40 0.69 -4.57 2.45 5.02 -0.97 -4.82 118.16 111.55 3kae n LYS 58 Ca 0.09 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 3kae n LYS 58 Cb 0.55 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.16 2.70 -0.48 -0.35 1.43 0.34 -5.11 118.68 115.06 3kae s LEU 59 Ca 0.35 -1.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.16 3kae s LEU 59 Cb 0.17 -0.78 0.22 0.00 0.03 0.00 0.00 46.19 45.83 3kae s LEU 59 CO 0.32 -0.47 0.75 -3.20 0.23 0.00 0.00 176.35 173.98 3kae n ASN 60 N -0.88 -2.48 -4.38 2.29 2.85 -1.26 -4.94 115.26 106.45 3kae n ASN 60 Ca -0.04 -3.04 -0.23 0.00 -0.11 0.00 0.00 54.58 51.16 3kae n ASN 60 Cb 0.67 1.30 -0.10 0.00 1.24 0.00 0.00 39.78 42.88 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 0.45 1.04 0.21 -0.44 -4.23 -1.26 -2.02 115.64 109.39 3kae s THR 61 Ca 0.32 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.74 3kae s THR 61 Cb 0.14 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.47 3kae s THR 61 CO -0.17 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.67 3kae h THR 63 N 0.49 1.27 -0.16 0.00 2.02 -1.91 -0.63 112.91 113.99 3kae h THR 63 Ca 0.32 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 3kae h THR 63 Cb 0.35 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3kae h THR 63 CO -0.28 0.45 -0.10 0.77 0.37 0.00 0.00 175.52 176.73 3kae h SER 64 N 0.87 0.36 -0.18 4.18 4.64 -1.85 -1.66 113.55 119.91 3kae h SER 64 Ca 0.13 -0.43 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 3kae h SER 64 Cb 0.70 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 3kae h SER 64 CO 0.05 0.72 -0.08 0.11 -0.87 0.00 0.00 176.83 176.76 3kae h LYS 65 N 0.01 0.52 0.39 4.77 1.79 -0.90 0.18 116.57 123.32 3kae h LYS 65 Ca 0.03 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3kae h LYS 65 Cb 0.59 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3kae h LYS 65 CO 0.03 0.61 -0.19 -0.92 -1.08 0.00 0.00 179.45 177.90 3kae h TYR 66 N 0.49 -0.48 -0.01 -1.35 3.20 -0.98 -0.47 116.97 117.36 3kae h TYR 66 Ca 0.10 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3kae h TYR 66 Cb 0.44 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3kae h TYR 66 CO 0.02 -0.27 -0.23 1.88 -1.64 0.00 0.00 178.16 177.91 3kae h TYR 67 N -0.57 0.03 0.18 -3.82 -1.99 -1.08 -1.09 116.97 108.63 3kae h TYR 67 Ca -0.05 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 3kae h TYR 67 Cb 0.43 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 3kae h TYR 67 CO -0.04 0.26 -0.11 1.49 -0.00 0.00 0.00 178.16 179.76 3kae h GLU 68 N 0.02 -0.28 -0.97 4.88 4.81 -0.45 -0.47 114.58 122.12 3kae h GLU 68 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3kae h GLU 68 Cb 0.42 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 3kae h GLU 68 CO 0.03 -0.18 0.63 1.03 -0.73 0.00 0.00 179.01 179.78 3kae h SER 69 N -0.29 0.97 -0.47 1.04 0.87 -0.25 0.60 113.55 116.02 3kae h SER 69 Ca -0.02 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3kae h SER 69 Cb 0.24 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3kae h SER 69 CO 0.02 0.61 0.23 -0.07 -0.53 0.00 0.00 176.83 177.08 3kae h LEU 70 N 1.10 0.62 -0.32 2.23 3.38 -0.84 -0.38 115.31 121.09 3kae h LEU 70 Ca 0.43 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 3kae h LEU 70 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kae h LEU 70 CO -0.18 0.57 -0.03 0.00 0.09 0.00 0.00 178.44 178.90 3kae h TYR 72 N 0.38 0.78 -0.34 0.00 0.05 -0.79 -2.10 116.97 114.95 3kae h TYR 72 Ca 0.09 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 3kae h TYR 72 Cb 0.50 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3kae h TYR 72 CO 0.04 0.47 -0.22 -0.22 -1.05 0.00 0.00 178.16 177.18 3kae h LYS 73 N 0.82 0.75 -0.90 4.88 3.64 -0.48 0.16 116.57 125.43 3kae h LYS 73 Ca 0.25 -0.35 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3kae h LYS 73 Cb -0.01 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3kae h LYS 73 CO -0.06 0.97 0.58 0.87 -2.27 0.00 0.00 179.45 179.53 3kae h LYS 74 N 0.52 0.78 -0.20 1.90 1.79 -0.91 -0.86 116.57 119.58 3kae h LYS 74 Ca 0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3kae h LYS 74 Cb 0.78 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3kae h LYS 74 CO 0.06 0.51 0.00 1.63 -1.08 0.00 0.00 179.45 180.57 3kae n LYS 75 N -4.56 1.76 -1.69 3.15 5.02 -0.82 -4.91 118.16 116.11 3kae n LYS 75 Ca 0.17 -1.15 -0.20 0.00 -2.02 0.00 0.00 58.31 55.10 3kae n LYS 75 Cb 0.39 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.38 -1.48 -2.63 1.97 5.02 -0.33 -4.90 118.16 116.20 3kae n LYS 76 Ca 0.16 1.18 -0.43 0.00 -2.02 0.00 0.00 58.31 57.20 3kae n LYS 76 Cb 0.33 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.75 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 -1.41 5.02 0.06 4.39 -0.08 0.40 -4.82 116.55 120.11 3kae n ASP 77 Ca -0.21 -2.99 -0.02 0.00 -1.51 0.00 0.00 54.79 50.07 3kae n ASP 77 Cb 0.67 -1.59 0.25 0.00 2.34 0.00 0.00 41.12 42.79 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 6.79 0.40 -0.48 -0.67 0.05 -1.91 -1.21 116.97 119.94 3kae h TYR 78 Ca 0.38 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 59.00 3kae h TYR 78 Cb 0.79 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 3kae h TYR 78 CO 1.23 0.60 -0.02 0.87 -1.05 0.00 0.00 178.16 179.79 3kae h LYS 79 N 0.32 0.82 -0.01 4.88 6.56 -1.95 0.84 116.57 128.02 3kae h LYS 79 Ca 0.05 -0.23 -0.19 0.00 -1.06 0.00 0.00 60.65 59.22 3kae h LYS 79 Cb 0.64 -0.09 0.01 0.00 -0.57 0.00 0.00 32.23 32.23 3kae h LYS 79 CO 0.05 0.84 -0.72 0.87 -2.06 0.00 0.00 179.45 178.43 3kae h LYS 80 N 0.76 0.50 -0.44 3.15 1.57 -1.86 -1.20 116.57 119.04 3kae h LYS 80 Ca 0.14 -0.53 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3kae h LYS 80 Cb 0.49 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.86 3kae h LYS 80 CO 0.02 1.16 -0.16 0.00 -0.57 0.00 0.00 179.45 179.91 3kae h ALA 81 N 0.35 0.21 0.03 3.86 0.00 -0.97 0.85 119.26 123.59 3kae h ALA 81 Ca -0.09 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kae h ALA 81 Cb 1.41 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3kae h ALA 81 CO 0.14 -0.50 -0.01 0.82 0.00 0.00 0.00 179.25 179.70 3kae h ILE 82 N -0.06 1.00 -0.88 0.00 2.04 -0.82 -2.56 117.51 116.23 3kae h ILE 82 Ca 0.21 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.11 3kae h ILE 82 Cb 0.39 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 3kae h ILE 82 CO -0.49 0.02 0.52 0.11 0.00 0.00 0.00 178.15 178.31 3kae h LYS 83 N -0.07 0.82 -0.65 2.37 1.57 -0.69 -1.62 116.57 118.30 3kae h LYS 83 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kae h LYS 83 Cb 0.06 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3kae h LYS 83 CO 0.01 0.54 0.38 0.77 -0.57 0.00 0.00 179.45 180.58 3kae h SER 84 N 0.85 0.79 -0.33 0.86 0.02 -0.57 -2.66 113.55 112.51 3kae h SER 84 Ca 0.43 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3kae h SER 84 Cb 0.40 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3kae h SER 84 CO -0.25 0.63 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.84 3kae h LEU 85 N 0.89 0.71 -1.43 5.07 3.38 -1.01 -3.05 115.31 119.86 3kae h LEU 85 Ca 0.23 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3kae h LEU 85 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3kae h LEU 85 CO -0.04 0.96 0.43 -0.33 0.09 0.00 0.00 178.44 179.55 3kae h GLU 86 N 0.45 0.70 -0.92 1.13 5.08 -1.15 -0.27 114.58 119.60 3kae h GLU 86 Ca 0.07 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 3kae h GLU 86 Cb 0.69 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 3kae h GLU 86 CO 0.05 0.46 0.50 0.77 -1.00 0.00 0.00 179.01 179.79 3kae h SER 87 N 0.72 0.59 0.44 1.42 0.02 -1.36 0.65 113.55 116.04 3kae h SER 87 Ca 0.27 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3kae h SER 87 Cb 0.16 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3kae h SER 87 CO -0.08 0.18 -0.21 0.40 -1.14 0.00 0.00 176.83 175.98 3kae h ILE 88 N 0.62 0.15 -0.52 3.27 2.04 -1.15 0.17 117.51 122.09 3kae h ILE 88 Ca 0.54 -0.59 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3kae h ILE 88 Cb 0.87 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3kae h ILE 88 CO -0.41 0.03 0.35 -0.07 0.00 0.00 0.00 178.15 178.05 3kae h LEU 89 N -1.11 0.38 -0.11 1.44 3.38 -1.10 0.61 115.31 118.80 3kae h LEU 89 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kae h LEU 89 Cb 0.51 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3kae h LEU 89 CO 0.10 0.24 -0.02 -0.62 0.09 0.00 0.00 178.44 178.24 3kae n GLU 90 N -4.47 0.82 -3.27 1.13 1.02 0.23 -4.95 120.64 111.15 3kae n GLU 90 Ca 0.07 -0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 3kae n GLU 90 Cb 0.27 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.14 -0.19 1.60 0.62 0.00 0.21 -4.95 105.19 103.63 3kae n GLY 91 Ca 0.19 0.02 -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 0.58 0.00 0.00 0.00 173.32 173.90 3kae n LYS 92 N -3.80 2.37 -4.34 1.61 2.85 0.54 -4.99 118.16 112.41 3kae n LYS 92 Ca -0.06 -3.42 -0.20 0.00 -1.05 0.00 0.00 58.31 53.59 3kae n LYS 92 Cb 0.57 -2.01 -0.11 0.00 -0.65 0.00 0.00 35.03 32.83 3kae n LYS 92 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3kae s VAL 93 N -3.80 1.76 0.50 0.58 -7.23 -1.26 -4.94 120.40 106.02 3kae s VAL 93 Ca 0.50 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 3kae s VAL 93 Cb 0.43 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3kae s VAL 93 CO 0.01 -0.48 0.80 -1.61 -0.31 0.00 0.00 175.10 173.52 3kae s GLU 94 N -3.26 3.36 0.21 4.82 0.41 -0.85 -4.85 118.70 118.53 3kae s GLU 94 Ca 0.19 0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.54 3kae s GLU 94 Cb -0.03 -2.37 -0.09 0.00 -1.78 0.00 0.00 34.13 29.86 3kae s GLU 94 CO 0.07 -0.32 1.38 1.03 -0.49 0.00 0.00 175.26 176.92 3kae s ARG 95 N -4.78 4.33 0.75 1.61 0.52 -1.26 -3.58 118.95 116.53 3kae s ARG 95 Ca 0.49 2.17 -0.15 0.00 -0.52 0.00 0.00 55.73 57.72 3kae s ARG 95 Cb -0.10 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.22 3kae s ARG 95 CO 0.44 -0.35 0.93 -0.25 0.02 0.00 0.00 175.30 176.09 3kae n ASP 96 N 2.65 0.24 -4.76 0.23 8.00 -1.26 -4.94 116.55 116.71 3kae n ASP 96 Ca 0.07 0.62 -0.37 0.00 0.71 0.00 0.00 54.79 55.82 3kae n ASP 96 Cb 0.41 -1.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.14 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 -3.43 3.33 -0.01 -0.24 0.02 -1.26 -4.95 135.00 128.47 3kae s PRO 97 Ca 0.71 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 3kae s PRO 97 Cb -0.33 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 31.87 3kae s PRO 97 CO 0.52 -0.96 1.94 0.16 -0.33 0.00 0.00 177.00 178.34 3kae s ASP 98 N -1.24 6.36 0.36 2.53 1.47 -1.26 -4.97 116.67 119.92 3kae s ASP 98 Ca 0.70 2.49 0.04 0.00 1.18 0.00 0.00 52.55 56.95 3kae s ASP 98 Cb -0.34 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 39.68 3kae s ASP 98 CO 0.40 -1.15 0.12 0.68 0.68 0.00 0.00 175.17 175.90 3kae s VAL 99 N 4.88 0.64 0.26 2.11 -7.23 -1.26 -5.10 120.40 114.69 3kae s VAL 99 Ca 0.87 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.76 3kae s VAL 99 Cb -0.40 -2.49 -0.15 0.00 0.56 0.00 0.00 36.38 33.90 3kae s VAL 99 CO 0.39 0.00 0.89 -0.67 -0.31 0.00 0.00 175.10 175.39 3kae n ASP 100 N -1.06 0.62 0.05 4.85 4.64 -1.26 -4.67 116.55 119.73 3kae n ASP 100 Ca -0.03 1.17 0.09 0.00 -1.38 0.00 0.00 54.79 54.64 3kae n ASP 100 Cb 0.65 -1.20 0.54 0.00 -1.04 0.00 0.00 41.12 40.07 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 1.77 1.96 0.00 -1.67 0.00 -1.99 -0.64 119.26 118.70 3kae h ALA 101 Ca -0.37 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3kae h ALA 101 Cb 1.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3kae h ALA 101 CO 0.60 -0.02 -0.47 0.00 0.00 0.00 0.00 179.25 179.36 3kae h ARG 102 N 0.29 0.00 0.25 0.00 3.08 -2.02 -2.90 114.38 113.08 3kae h ARG 102 Ca 0.15 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.86 3kae h ARG 102 Cb 0.24 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.32 3kae h ARG 102 CO -0.03 0.47 -1.52 0.82 -1.07 0.00 0.00 179.97 178.64 3kae h ILE 103 N 0.00 1.24 -0.92 2.04 1.08 -1.56 -3.35 117.51 116.04 3kae h ILE 103 Ca -0.00 -2.69 0.11 0.00 -0.39 0.00 0.00 64.86 61.89 3kae h ILE 103 Cb 0.88 3.01 -0.08 0.00 -3.07 0.00 0.00 36.82 37.56 3kae h ILE 103 CO 0.06 0.82 0.56 1.56 -0.69 0.00 0.00 178.15 180.46 3kae h GLN 104 N 0.14 0.88 -0.18 2.37 7.50 -1.00 -0.06 115.11 124.77 3kae h GLN 104 Ca -0.27 -0.05 0.05 0.00 0.50 0.00 0.00 58.65 58.88 3kae h GLN 104 Cb 2.17 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 29.49 3kae h GLN 104 CO 0.27 0.58 0.27 0.93 -1.50 0.00 0.00 178.83 179.38 3kae h GLU 105 N 0.90 0.00 -0.06 1.46 5.08 -1.64 0.19 114.58 120.51 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 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kae h GLU 105 CO -0.26 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.42 3kae n MET 106 N -3.50 1.59 -3.05 2.33 2.81 -0.04 -4.92 117.12 112.35 3kae n MET 106 Ca 0.02 -0.87 -0.24 0.00 -1.81 0.00 0.00 57.70 54.80 3kae n MET 106 Cb 0.38 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.93 3.40 -0.22 2.03 0.08 0.67 -5.07 117.98 116.95 3kae s PHE 107 Ca 0.37 0.41 -0.11 0.00 0.12 0.00 0.00 56.93 57.71 3kae s PHE 107 Cb 0.19 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3kae s PHE 107 CO 0.31 -0.17 0.19 0.08 -0.10 0.00 0.00 175.22 175.53 3kae s VAL 108 N -2.51 5.35 -0.21 -0.44 1.01 -1.26 -5.07 120.40 117.26 3kae s VAL 108 Ca 0.45 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 3kae s VAL 108 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3kae s VAL 108 CO 0.39 0.36 0.53 -0.62 0.00 0.00 0.00 175.10 175.75 3kae s ASP 109 N 0.84 6.55 0.00 3.32 -1.08 -1.26 -4.53 116.67 120.52 3kae s ASP 109 Ca 0.10 0.66 0.05 0.00 -0.52 0.00 0.00 52.55 52.84 3kae s ASP 109 Cb -0.13 -2.29 0.25 0.00 -1.46 0.00 0.00 42.92 39.28 3kae s ASP 109 CO 0.03 -0.20 0.96 -2.65 0.52 0.00 0.00 175.17 173.83 3kae n PRO 110 N 4.91 0.08 0.00 4.34 -0.02 -1.26 -1.36 135.00 141.68 3kae n PRO 110 Ca -0.04 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 3kae n PRO 110 Cb 0.50 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.86 -1.11 2.55 -1.23 0.00 -1.26 -4.31 105.19 98.96 3kae n GLY 111 Ca 0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.29 7.72 0.21 1.61 8.00 -0.47 -4.77 116.55 127.57 3kae n ASP 112 Ca 0.07 -3.28 0.15 0.00 0.71 0.00 0.00 54.79 52.45 3kae n ASP 112 Cb 0.34 -1.32 0.64 0.00 -0.02 0.00 0.00 41.12 40.75 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 4.57 0.00 -0.64 -1.24 5.08 -1.83 -2.96 114.58 117.57 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 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 3kae h GLU 113 CO 1.41 0.00 0.25 0.93 -1.00 0.00 0.00 179.01 180.60 3kae h GLU 114 N 0.00 0.42 -0.74 2.33 3.07 -1.86 -0.90 114.58 116.90 3kae h GLU 114 Ca 0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 3kae h GLU 114 Cb 0.37 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3kae h GLU 114 CO 0.00 0.28 0.33 0.74 -1.40 0.00 0.00 179.01 178.95 3kae h PHE 115 N 0.43 1.07 -0.20 4.33 0.04 -1.90 -0.37 116.94 120.34 3kae h PHE 115 Ca 0.32 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.94 3kae h PHE 115 Cb 0.41 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 3kae h PHE 115 CO -0.16 0.80 -0.23 0.74 -0.60 0.00 0.00 178.31 178.85 3kae h PHE 116 N 1.06 0.62 -0.18 -0.55 0.04 -1.55 -2.23 116.94 114.14 3kae h PHE 116 Ca 0.25 -0.20 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 3kae h PHE 116 Cb 0.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3kae h PHE 116 CO 0.01 0.88 -0.30 0.93 -0.60 0.00 0.00 178.31 179.23 3kae h GLU 117 N 0.18 0.36 -0.25 1.51 4.39 -1.04 0.25 114.58 119.99 3kae h GLU 117 Ca 0.03 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3kae h GLU 117 Cb 0.79 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3kae h GLU 117 CO 0.06 0.63 -0.05 1.03 -1.16 0.00 0.00 179.01 179.52 3kae h SER 118 N 0.31 0.47 -0.37 1.42 0.87 -1.06 0.12 113.55 115.30 3kae h SER 118 Ca 0.04 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 3kae h SER 118 Cb 0.69 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3kae h SER 118 CO 0.05 0.72 -0.18 0.25 -0.53 0.00 0.00 176.83 177.14 3kae h LEU 119 N 0.22 0.81 -1.45 2.23 7.12 -1.23 -1.41 115.31 121.59 3kae h LEU 119 Ca 0.06 -0.40 0.09 0.00 0.13 0.00 0.00 57.88 57.76 3kae h LEU 119 Cb 0.51 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 40.37 3kae h LEU 119 CO 0.02 1.03 0.48 -0.07 -0.13 0.00 0.00 178.44 179.77 3kae h LEU 120 N 0.58 0.56 -0.13 2.25 3.38 -0.39 0.41 115.31 121.97 3kae h LEU 120 Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kae h LEU 120 Cb 0.73 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kae h LEU 120 CO 0.05 0.34 -0.02 1.23 0.09 0.00 0.00 178.44 180.14 3kae h GLY 121 N 0.62 0.26 0.87 0.83 0.00 0.07 -1.06 103.07 104.67 3kae h GLY 121 Ca 0.33 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3kae h GLY 121 CO -0.12 0.19 0.09 -0.55 0.00 0.00 0.00 176.54 176.16 3kae h ASP 122 N -0.04 0.13 -0.24 0.19 3.32 -0.67 -1.58 116.42 117.52 3kae h ASP 122 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kae h ASP 122 Cb 0.41 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3kae h ASP 122 CO 0.01 0.10 0.13 -0.07 -1.72 0.00 0.00 179.24 177.70 3kae h LEU 123 N 0.21 0.29 -0.15 1.55 3.38 -0.87 0.32 115.31 120.03 3kae h LEU 123 Ca 0.09 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kae h LEU 123 Cb 0.04 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kae h LEU 123 CO -0.08 0.29 -0.04 0.00 0.09 0.00 0.00 178.44 178.70 3kae h THR 125 N -0.00 0.35 0.00 0.00 2.02 -1.08 0.64 112.91 114.84 3kae h THR 125 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3kae h THR 125 Cb 0.11 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3kae h THR 125 CO -0.16 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.60 3kae h LEU 126 N -0.52 0.00 -1.08 2.58 3.38 -0.20 -1.59 115.31 117.89 3kae h LEU 126 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kae h LEU 126 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kae h LEU 126 CO -0.18 0.07 -0.14 -0.24 0.09 0.00 0.00 178.44 178.04 3kae n SER 127 N -3.55 1.81 0.00 -0.43 2.88 -0.04 -4.93 113.62 109.35 3kae n SER 127 Ca -0.02 -1.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 3kae n SER 127 Cb 0.19 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 1.29 0.86 2.94 0.46 0.00 -0.58 -5.03 105.19 105.13 3kae n GLY 128 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.05 3.75 -0.06 1.61 4.01 0.21 -4.93 117.16 119.70 3kae n TYR 129 Ca 0.00 -3.93 -0.11 0.00 -0.16 0.00 0.00 57.90 53.70 3kae n TYR 129 Cb 0.00 -1.00 -0.05 0.00 -0.31 0.00 0.00 39.34 37.98 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 5.48 0.33 -0.09 -0.72 9.65 -1.84 -1.44 114.38 125.74 3kae h ARG 130 Ca 0.18 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 3kae h ARG 130 Cb 0.74 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 3kae h ARG 130 CO 0.91 0.52 -0.04 0.93 2.80 0.00 0.00 179.97 185.09 3kae h GLU 131 N 0.09 -0.03 -0.99 0.20 3.07 -1.95 0.84 114.58 115.82 3kae h GLU 131 Ca 0.05 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 3kae h GLU 131 Cb 0.36 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 3kae h GLU 131 CO 0.01 -0.02 0.65 1.49 -1.40 0.00 0.00 179.01 179.74 3kae h GLU 132 N -0.03 1.24 -0.23 2.33 4.81 -1.95 -2.09 114.58 118.66 3kae h GLU 132 Ca 0.05 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3kae h GLU 132 Cb 0.10 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3kae h GLU 132 CO -0.11 0.82 0.09 0.78 -0.73 0.00 0.00 179.01 179.86 3kae h GLY 133 N 1.28 0.29 0.50 1.92 0.00 -0.49 -1.80 103.07 104.77 3kae h GLY 133 Ca 0.38 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.77 3kae h GLY 133 CO -0.11 0.05 0.64 -2.22 0.00 0.00 0.00 176.54 174.89 3kae h ILE 134 N 0.21 0.94 -0.85 2.60 2.04 -0.46 0.35 117.51 122.34 3kae h ILE 134 Ca 0.10 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3kae h ILE 134 Cb 0.05 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 35.92 3kae h ILE 134 CO -0.09 0.19 0.53 1.23 0.00 0.00 0.00 178.15 180.01 3kae h GLY 135 N 1.02 1.22 0.91 5.37 0.00 -0.68 0.31 103.07 111.22 3kae h GLY 135 Ca 0.49 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3kae h GLY 135 CO -0.26 0.47 -0.23 0.45 0.00 0.00 0.00 176.54 176.98 3kae h HIS 136 N 1.16 0.73 -0.84 5.60 3.86 -0.45 -1.15 115.15 124.06 3kae h HIS 136 Ca 0.31 -0.21 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 3kae h HIS 136 Cb -0.08 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 3kae h HIS 136 CO 0.00 0.92 0.52 1.88 0.86 0.00 0.00 177.93 182.11 3kae h TYR 137 N 0.33 0.97 -0.13 2.45 0.05 -0.51 0.37 116.97 120.51 3kae h TYR 137 Ca 0.05 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3kae h TYR 137 Cb 0.78 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3kae h TYR 137 CO 0.07 0.50 0.04 0.28 -1.05 0.00 0.00 178.16 178.01 3kae h VAL 138 N 0.97 1.18 -0.58 -2.88 2.07 -0.30 0.12 116.25 116.82 3kae h VAL 138 Ca 0.36 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3kae h VAL 138 Cb 0.14 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kae h VAL 138 CO -0.16 0.16 0.14 -0.09 0.02 0.00 0.00 177.57 177.64 3kae h ARG 139 N 0.03 0.90 0.07 1.57 2.43 -0.60 -1.48 114.38 117.28 3kae h ARG 139 Ca 0.04 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3kae h ARG 139 Cb 0.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3kae h ARG 139 CO -0.00 0.80 -0.03 1.03 -1.51 0.00 0.00 179.97 180.26 3kae h SER 140 N 0.86 -0.08 0.16 -3.80 0.87 -0.08 -3.10 113.55 108.38 3kae h SER 140 Ca 0.19 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3kae h SER 140 Cb 0.31 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3kae h SER 140 CO -0.00 0.08 -0.13 0.15 -0.53 0.00 0.00 176.83 176.40 3kae h PHE 141 N -0.24 0.00 -0.05 2.24 3.57 -0.43 -0.14 116.94 121.89 3kae h PHE 141 Ca -0.01 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3kae h PHE 141 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3kae h PHE 141 CO -0.03 0.13 0.04 0.78 -2.23 0.00 0.00 178.31 177.01 3kae h GLY 142 N 0.46 0.00 0.40 2.40 0.00 -1.20 -2.99 103.07 102.14 3kae h GLY 142 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 3kae h GLY 142 CO 0.02 0.00 -2.15 1.17 0.00 0.00 0.00 176.54 175.58 3kae n LYS 143 N -4.09 0.69 -3.61 4.80 4.81 -0.10 -5.06 118.16 115.60 3kae n LYS 143 Ca -0.02 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.53 3kae n LYS 143 Cb 0.14 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 33.50 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 -6.39 -0.28 0.00 3.14 0.15 -0.98 -5.07 113.70 104.27 3kae s SER 144 Ca -0.20 0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.51 3kae s SER 144 Cb 0.07 0.30 -0.07 0.00 -1.71 0.00 0.00 66.02 64.62 3kae s SER 144 CO 0.75 -0.22 1.64 0.12 1.20 0.00 0.00 173.24 176.73 3kae s PHE 145 N -0.82 2.21 0.08 3.44 2.19 -1.26 -4.20 117.98 119.62 3kae s PHE 145 Ca 0.02 0.28 0.03 0.00 0.33 0.00 0.00 56.93 57.59 3kae s PHE 145 Cb -0.02 -3.92 -0.03 0.00 -1.31 0.00 0.00 43.02 37.74 3kae s PHE 145 CO -0.03 -3.77 -0.09 -0.51 1.83 0.00 0.00 175.22 172.65 3kae s LEU 146 N 3.35 2.36 0.12 6.12 1.43 -1.26 -5.09 118.68 125.72 3kae s LEU 146 Ca 0.73 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 3kae s LEU 146 Cb -0.36 -0.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 3kae s LEU 146 CO 0.31 -0.26 1.65 0.15 0.23 0.00 0.00 176.35 178.43 3kae h PHE 147 N 3.84 0.56 -0.24 0.29 3.04 -1.99 -2.69 116.94 119.76 3kae h PHE 147 Ca -0.37 -0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.40 3kae h PHE 147 Cb 1.19 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 3kae h PHE 147 CO 0.63 0.54 -0.36 1.03 -2.02 0.00 0.00 178.31 178.13 3kae h SER 148 N 0.42 0.74 -0.20 0.41 0.87 -1.98 -0.25 113.55 113.56 3kae h SER 148 Ca 0.12 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 3kae h SER 148 Cb 0.23 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3kae h SER 148 CO -0.01 1.11 0.08 -0.65 -0.53 0.00 0.00 176.83 176.84 3kae h PRO 149 N 0.39 0.30 0.15 2.24 0.11 -1.89 -2.28 132.00 131.02 3kae h PRO 149 Ca 0.02 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3kae h PRO 149 Cb 0.95 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3kae h PRO 149 CO 0.08 0.37 -0.21 0.28 -0.21 0.00 0.00 178.00 178.31 3kae h VAL 150 N 0.17 0.53 -0.06 3.15 2.07 -1.45 0.15 116.25 120.80 3kae h VAL 150 Ca 0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3kae h VAL 150 Cb 0.18 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3kae h VAL 150 CO -0.01 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.04 3kae h GLU 151 N -0.42 0.10 0.12 1.57 4.39 -1.06 -0.18 114.58 119.09 3kae h GLU 151 Ca 0.02 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 3kae h GLU 151 Cb 0.43 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3kae h GLU 151 CO -0.09 0.32 -1.30 -0.91 -1.16 0.00 0.00 179.01 175.87 3kae h ASN 152 N 0.10 0.38 -0.12 1.42 2.35 -1.24 -1.65 115.58 116.82 3kae h ASN 152 Ca 0.02 -0.43 -0.21 0.00 -0.55 0.00 0.00 56.30 55.12 3kae h ASN 152 Cb 0.44 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.69 3kae h ASN 152 CO 0.03 1.34 -0.72 -0.07 -1.65 0.00 0.00 177.43 176.37 3kae h LEU 153 N 0.07 0.88 -0.14 1.61 3.38 -0.46 -1.53 115.31 119.12 3kae h LEU 153 Ca -0.15 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 3kae h LEU 153 Cb 1.97 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 3kae h LEU 153 CO 0.19 1.34 0.04 -0.07 0.09 0.00 0.00 178.44 180.03 3kae h LEU 154 N 0.53 0.22 -0.91 1.67 3.38 -1.09 0.84 115.31 119.95 3kae h LEU 154 Ca -0.03 -0.23 0.18 0.00 0.09 0.00 0.00 57.88 57.89 3kae h LEU 154 Cb 1.34 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.92 3kae h LEU 154 CO 0.15 0.39 0.48 0.25 0.09 0.00 0.00 178.44 179.79 3kae h LEU 155 N 0.04 0.55 -0.82 1.67 5.85 -1.22 0.90 115.31 122.28 3kae h LEU 155 Ca 0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kae h LEU 155 Cb 0.26 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3kae h LEU 155 CO 0.00 0.18 0.00 -0.62 -0.34 0.00 0.00 178.44 177.66 3kae n GLU 156 N -4.89 1.55 -1.22 1.25 -0.58 -0.59 -4.90 120.64 111.26 3kae n GLU 156 Ca 0.20 -0.81 -0.10 0.00 -0.42 0.00 0.00 57.16 56.03 3kae n GLU 156 Cb 0.54 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 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 -0.00 -4.44 -2.09 1.62 5.15 0.31 -4.83 115.26 110.98 3kae n ASN 157 Ca 0.19 0.26 -0.12 0.00 -0.60 0.00 0.00 54.58 54.30 3kae n ASN 157 Cb 0.30 -3.53 0.26 0.00 -0.53 0.00 0.00 39.78 36.28 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 -1.05 3.19 -2.36 1.20 4.01 0.15 -4.95 118.16 118.35 3kae n LYS 158 Ca -0.10 -3.01 -0.42 0.00 -0.51 0.00 0.00 58.31 54.27 3kae n LYS 158 Cb 0.48 -2.20 -0.03 0.00 -0.51 0.00 0.00 35.03 32.78 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 -3.06 3.66 -0.08 -0.18 0.11 -1.15 -4.94 120.40 114.76 3kae s VAL 159 Ca 0.55 1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 60.61 3kae s VAL 159 Cb 0.45 -3.83 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 3kae s VAL 159 CO 0.13 0.16 1.20 -2.84 -3.33 0.00 0.00 175.10 170.42 3kae s PRO 160 N 0.30 4.33 0.19 1.54 0.02 -1.26 -5.04 135.00 135.08 3kae s PRO 160 Ca 0.56 1.64 0.10 0.00 0.02 0.00 0.00 61.00 63.33 3kae s PRO 160 Cb -0.32 -3.60 -0.04 0.00 0.02 0.00 0.00 34.50 30.56 3kae s PRO 160 CO 0.34 -0.49 -0.17 -0.65 -0.33 0.00 0.00 177.00 175.69 3kae s GLN 161 N 2.47 1.78 0.00 5.54 -0.21 -1.26 -5.13 119.66 122.85 3kae s GLN 161 Ca 0.55 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.52 3kae s GLN 161 Cb -0.23 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.78 3kae s GLN 161 CO 0.20 0.42 0.00 0.36 -2.12 0.00 0.00 175.29 174.14 3kae n LYS 162 N 0.15 3.06 -0.55 2.91 -0.00 -1.26 -5.31 118.16 117.15 3kae n LYS 162 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.19 3kae n LYS 162 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.58 3kae n LYS 162 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3kae n ARG 163 N 0.00 0.00 -0.67 -1.58 1.85 -1.26 -5.32 116.66 109.69 3kae n ARG 163 Ca 0.00 -0.18 0.03 0.00 -1.00 0.00 0.00 57.85 56.70 3kae n ARG 163 Cb 0.00 0.01 -0.02 0.00 -1.05 0.00 0.00 32.46 31.40 3kae n ARG 163 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kae n GLY 175 N 0.00 -0.58 0.23 2.89 0.00 -1.26 -5.38 105.19 101.10 3kae n GLY 175 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.08 1.24 -0.21 -0.61 2.10 -2.05 -1.16 117.51 115.74 3kae h ILE 176 Ca -0.03 -1.12 -0.16 0.00 1.08 0.00 0.00 64.86 64.63 3kae h ILE 176 Cb 0.28 1.35 -0.01 0.00 -1.09 0.00 0.00 36.82 37.36 3kae h ILE 176 CO 0.01 0.35 -0.51 1.05 -1.08 0.00 0.00 178.15 177.97 3kae h GLU 177 N 0.30 0.58 0.00 2.19 9.09 -2.05 -1.75 114.58 122.95 3kae h GLU 177 Ca 0.05 -0.35 -0.12 0.00 0.05 0.00 0.00 59.36 58.99 3kae h GLU 177 Cb 0.57 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.69 3kae h GLU 177 CO 0.04 0.95 -0.58 0.93 0.05 0.00 0.00 179.01 180.41 3kae h GLU 178 N 0.46 0.00 -0.36 1.06 4.39 -1.90 -1.15 114.58 117.08 3kae h GLU 178 Ca 0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3kae h GLU 178 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3kae h GLU 178 CO 0.10 0.58 -0.21 1.49 -1.16 0.00 0.00 179.01 179.80 3kae h GLU 179 N 0.00 0.69 -0.76 2.33 4.81 -1.14 -1.71 114.58 118.80 3kae h GLU 179 Ca -0.01 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 3kae h GLU 179 Cb 1.04 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 3kae h GLU 179 CO 0.07 0.85 0.36 -0.92 -0.73 0.00 0.00 179.01 178.64 3kae h TYR 180 N 0.61 1.10 -0.19 0.92 5.03 -0.35 -0.11 116.97 123.97 3kae h TYR 180 Ca 0.09 -0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 3kae h TYR 180 Cb 0.69 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 3kae h TYR 180 CO 0.03 0.80 -0.14 0.28 -1.32 0.00 0.00 178.16 177.81 3kae h VAL 181 N 1.09 1.32 -0.31 1.81 2.07 -1.18 -1.94 116.25 119.11 3kae h VAL 181 Ca 0.26 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3kae h VAL 181 Cb 0.12 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3kae h VAL 181 CO -0.03 0.38 0.00 0.28 0.02 0.00 0.00 177.57 178.22 3kae h SER 182 N 0.11 -0.12 -0.91 0.57 0.02 -0.96 0.72 113.55 112.98 3kae h SER 182 Ca 0.04 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3kae h SER 182 Cb 0.66 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 3kae h SER 182 CO 0.04 -0.03 0.52 0.44 -1.14 0.00 0.00 176.83 176.66 3kae h ASP 183 N 0.09 1.11 -0.42 3.07 3.32 -1.02 -0.98 116.42 121.59 3kae h ASP 183 Ca 0.15 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3kae h ASP 183 Cb 0.20 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3kae h ASP 183 CO -0.25 0.87 0.06 0.28 -1.72 0.00 0.00 179.24 178.49 3kae h SER 184 N 1.26 0.68 -0.24 6.45 0.02 -0.67 0.31 113.55 121.35 3kae h SER 184 Ca 0.32 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3kae h SER 184 Cb -0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3kae h SER 184 CO -0.06 0.77 0.12 0.40 -1.14 0.00 0.00 176.83 176.93 3kae h ILE 185 N 0.56 1.00 -0.31 3.27 2.04 -0.55 -2.29 117.51 121.22 3kae h ILE 185 Ca 0.13 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3kae h ILE 185 Cb 0.39 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3kae h ILE 185 CO 0.01 0.05 0.11 -0.08 0.00 0.00 0.00 178.15 178.24 3kae h GLU 186 N 0.26 0.48 -0.14 2.37 4.81 -0.81 -2.74 114.58 118.80 3kae h GLU 186 Ca 0.10 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3kae h GLU 186 Cb 0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3kae h GLU 186 CO -0.06 0.50 -0.25 0.35 -0.73 0.00 0.00 179.01 178.82 3kae h PHE 187 N 0.35 0.28 -0.62 0.92 3.04 -0.36 -0.27 116.94 120.28 3kae h PHE 187 Ca 0.10 -0.05 0.05 0.00 3.98 0.00 0.00 57.97 62.05 3kae h PHE 187 Cb 0.21 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 3kae h PHE 187 CO 0.00 0.49 0.35 1.25 -2.02 0.00 0.00 178.31 178.38 3kae h HIS 188 N 0.23 0.65 -0.01 0.41 2.76 -1.10 0.54 115.15 118.63 3kae h HIS 188 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3kae h HIS 188 Cb 0.57 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.32 3kae h HIS 188 CO 0.01 0.33 -0.52 0.39 -1.30 0.00 0.00 177.93 176.85 3kae n GLU 189 N -4.78 0.51 0.00 5.26 4.71 -0.93 -4.44 120.64 120.97 3kae n GLU 189 Ca 0.07 -0.36 0.00 0.00 -0.01 0.00 0.00 57.16 56.86 3kae n GLU 189 Cb 0.13 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 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 -0.93 4.20 -2.55 1.62 3.41 -0.16 -5.01 113.62 114.21 3kae n SER 190 Ca 0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.52 3kae n SER 190 Cb 0.37 0.81 -0.00 0.00 -0.26 0.00 0.00 64.21 65.12 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 -1.55 -4.57 1.04 4.32 0.19 -4.83 117.00 110.31 3kae n LEU 191 Ca 0.00 0.05 -0.48 0.00 -0.02 0.00 0.00 56.01 55.55 3kae n LEU 191 Cb 0.03 -2.45 -0.05 0.00 -1.62 0.00 0.00 43.42 39.32 3kae n LEU 191 CO 0.00 -0.10 1.71 -0.24 -1.22 0.00 0.00 177.39 177.54 3kae n SER 192 N -1.97 2.84 0.24 -1.43 2.88 -1.26 -4.87 113.62 110.06 3kae n SER 192 Ca -0.16 0.55 0.11 0.00 -1.33 0.00 0.00 58.87 58.04 3kae n SER 192 Cb 0.63 -1.37 0.61 0.00 -0.75 0.00 0.00 64.21 63.33 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 11.99 0.00 -0.12 -1.46 0.11 -1.99 -1.67 132.00 138.86 3kae h PRO 193 Ca -0.38 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 3kae h PRO 193 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3kae h PRO 193 CO 0.98 0.17 -0.39 0.66 -0.21 0.00 0.00 178.00 179.21 3kae h SER 194 N 0.00 0.27 -0.13 -2.05 4.64 -1.99 -2.14 113.55 112.15 3kae h SER 194 Ca -0.00 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3kae h SER 194 Cb 0.51 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3kae h SER 194 CO 0.02 0.64 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.43 3kae h LEU 195 N 0.22 0.33 -0.51 5.97 4.07 -1.70 -1.59 115.31 122.10 3kae h LEU 195 Ca 0.02 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 57.56 3kae h LEU 195 Cb 0.79 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.39 3kae h LEU 195 CO 0.06 0.74 0.22 0.58 -1.08 0.00 0.00 178.44 178.96 3kae h VAL 196 N -0.07 0.89 -0.45 1.22 2.07 -1.45 -2.01 116.25 116.45 3kae h VAL 196 Ca 0.02 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3kae h VAL 196 Cb 0.64 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kae h VAL 196 CO 0.03 0.08 -0.15 0.11 0.02 0.00 0.00 177.57 177.66 3kae h LYS 197 N 0.43 0.85 -0.55 1.57 6.56 -1.40 -1.20 116.57 122.83 3kae h LYS 197 Ca 0.23 -0.31 0.03 0.00 -1.06 0.00 0.00 60.65 59.54 3kae h LYS 197 Cb 0.20 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 31.77 3kae h LYS 197 CO -0.20 0.95 0.32 -0.22 -2.06 0.00 0.00 179.45 178.23 3kae h LYS 198 N 0.76 0.61 -0.00 3.15 3.64 -0.82 -2.91 116.57 121.00 3kae h LYS 198 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kae h LYS 198 Cb 0.67 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kae h LYS 198 CO 0.05 0.40 -0.32 0.66 -2.27 0.00 0.00 179.45 177.97 3kae n TYR 199 N -4.80 0.00 0.19 1.91 4.01 -0.80 -3.71 117.16 113.96 3kae n TYR 199 Ca 0.05 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.81 3kae n TYR 199 Cb 0.10 -0.28 0.37 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.20 0.00 0.00 -0.72 4.05 -1.00 -2.63 114.93 114.83 3kae h MET 200 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3kae h MET 200 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 3kae h MET 200 CO 0.00 0.36 0.00 0.93 0.23 0.00 0.00 176.91 178.43 3kae h GLU 201 N 0.00 0.00 -1.96 0.39 3.07 -1.65 -3.33 114.58 111.11 3kae h GLU 201 Ca -0.00 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 3kae h GLU 201 Cb 0.64 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.19 3kae h GLU 201 CO 0.05 0.00 0.01 0.72 -1.40 0.00 0.00 179.01 178.38 3kae n HIS 202 N -2.44 3.38 -3.86 4.33 -0.00 -0.99 -4.92 115.22 110.72 3kae n HIS 202 Ca 0.03 -3.07 -0.28 0.00 -0.00 0.00 0.00 57.72 54.40 3kae n HIS 202 Cb 0.32 -0.63 -0.16 0.00 -0.00 0.00 0.00 29.99 29.51 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 -4.95 1.00 0.58 1.59 1.01 -1.25 -0.16 120.40 118.21 3kae s VAL 203 Ca 0.48 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 3kae s VAL 203 Cb 0.34 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3kae s VAL 203 CO -0.22 0.06 1.10 -2.84 0.00 0.00 0.00 175.10 173.20 3kae s PRO 204 N 1.67 3.24 0.00 2.72 0.02 -1.25 -4.86 135.00 136.54 3kae s PRO 204 Ca 0.00 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3kae s PRO 204 Cb -0.16 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3kae s PRO 204 CO -0.07 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 3kae n GLY 205 N -0.29 0.66 0.35 0.52 0.00 -1.05 -4.83 105.19 100.55 3kae n GLY 205 Ca 0.10 -1.60 0.17 0.00 0.00 0.00 0.00 46.02 44.69 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 0.77 0.00 -0.61 2.10 -1.94 -0.67 117.51 117.17 3kae h ILE 206 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.89 3kae h ILE 206 Cb 0.00 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 36.54 3kae h ILE 206 CO 0.00 0.00 -0.23 1.23 -1.08 0.00 0.00 178.15 178.07 3kae h GLY 207 N 0.00 0.00 1.01 8.18 0.00 -0.71 -2.36 103.07 109.18 3kae h GLY 207 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.50 3kae h GLY 207 CO -0.00 0.00 0.48 1.76 0.00 0.00 0.00 176.54 178.78 3kae h SER 208 N 0.00 0.85 0.50 0.19 0.02 -1.12 0.19 113.55 114.19 3kae h SER 208 Ca -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3kae h SER 208 Cb 0.40 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3kae h SER 208 CO 0.03 0.63 -0.24 1.88 -1.14 0.00 0.00 176.83 177.99 3kae h TYR 209 N 1.00 -0.62 -0.06 3.45 0.05 -1.58 -2.14 116.97 117.07 3kae h TYR 209 Ca 0.27 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.07 3kae h TYR 209 Cb -0.10 0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 3kae h TYR 209 CO -0.02 -0.30 -0.38 0.35 -1.05 0.00 0.00 178.16 176.76 3kae h PHE 210 N -0.97 -1.07 -0.61 4.88 3.57 -1.15 0.22 116.94 121.80 3kae h PHE 210 Ca -0.07 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3kae h PHE 210 Cb 0.61 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3kae h PHE 210 CO 0.01 -0.46 0.41 0.82 -2.23 0.00 0.00 178.31 176.86 3kae h ILE 211 N -0.50 1.15 -0.44 1.41 1.08 -0.74 0.15 117.51 119.63 3kae h ILE 211 Ca 0.07 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 64.16 3kae h ILE 211 Cb 0.61 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3kae h ILE 211 CO -0.34 0.15 -0.11 0.28 -0.69 0.00 0.00 178.15 177.44 3kae h SER 212 N 0.82 0.85 -0.59 1.72 0.02 -0.64 -0.16 113.55 115.57 3kae h SER 212 Ca 0.23 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3kae h SER 212 Cb -0.08 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 3kae h SER 212 CO -0.05 1.02 0.23 0.78 -1.14 0.00 0.00 176.83 177.66 3kae h ASN 213 N 0.67 0.82 -0.24 3.07 2.35 -0.00 -2.99 115.58 119.25 3kae h ASN 213 Ca 0.11 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3kae h ASN 213 Cb 0.65 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 3kae h ASN 213 CO 0.04 0.77 -0.24 0.00 -1.65 0.00 0.00 177.43 176.36 3kae h ALA 214 N 1.08 -0.12 -0.81 -0.83 0.00 -0.34 -0.63 119.26 117.60 3kae h ALA 214 Ca 0.20 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.31 3kae h ALA 214 Cb 0.21 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3kae h ALA 214 CO -0.01 -0.66 0.53 0.00 0.00 0.00 0.00 179.25 179.10 3kae h ALA 215 N 0.81 1.90 -0.17 0.00 0.00 -0.99 -0.14 119.26 120.67 3kae h ALA 215 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3kae h ALA 215 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kae h ALA 215 CO -0.39 -0.10 -0.29 -0.09 0.00 0.00 0.00 179.25 178.39 3kae h ARG 216 N 0.62 0.49 -0.52 0.00 2.43 -1.02 -2.57 114.38 113.80 3kae h ARG 216 Ca 0.40 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kae h ARG 216 Cb 0.67 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3kae h ARG 216 CO -0.16 0.90 0.32 -0.09 -1.51 0.00 0.00 179.97 179.43 3kae h ARG 217 N 0.13 0.61 -0.71 0.20 9.65 -0.01 -2.16 114.38 122.11 3kae h ARG 217 Ca 0.01 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3kae h ARG 217 Cb 0.87 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.27 3kae h ARG 217 CO 0.06 0.41 0.44 1.88 2.80 0.00 0.00 179.97 185.56 3kae h TYR 218 N 0.63 0.82 0.19 2.20 0.05 -1.05 -2.19 116.97 117.63 3kae h TYR 218 Ca 0.21 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 3kae h TYR 218 Cb 0.01 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.48 3kae h TYR 218 CO -0.06 0.46 -0.09 0.74 -1.05 0.00 0.00 178.16 178.16 3kae h PHE 219 N 0.86 -0.24 -0.10 4.88 -1.00 -1.06 -1.71 116.94 118.56 3kae h PHE 219 Ca 0.29 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.09 3kae h PHE 219 Cb 0.03 0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 3kae h PHE 219 CO -0.04 -0.09 0.40 -0.91 -1.61 0.00 0.00 178.31 176.06 3kae h ASN 220 N -0.33 0.00 -0.02 2.17 2.35 -1.05 0.30 115.58 118.99 3kae h ASN 220 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3kae h ASN 220 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3kae h ASN 220 CO 0.04 0.00 -0.02 0.18 -1.65 0.00 0.00 177.43 175.99 3kae n LEU 221 N -3.06 2.51 0.00 1.61 4.77 -0.75 -4.94 117.00 117.14 3kae n LEU 221 Ca 0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3kae n LEU 221 Cb 0.48 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3kae n LEU 221 CO 0.16 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3kae n GLY 222 N 1.30 1.88 3.18 -0.72 0.00 0.10 -4.95 105.19 105.99 3kae n GLY 222 Ca 0.15 0.00 -0.41 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 2.52 0.22 1.61 2.81 -0.72 -4.73 117.12 116.83 3kae n MET 223 Ca 0.00 -2.64 0.07 0.00 -1.81 0.00 0.00 57.70 53.32 3kae n MET 223 Cb 0.00 -3.34 0.50 0.00 -0.71 0.00 0.00 33.22 29.66 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 7.35 0.00 0.53 7.83 2.35 -1.88 -2.47 115.58 129.29 3kae h ASN 224 Ca 0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.18 3kae h ASN 224 Cb 0.76 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.13 3kae h ASN 224 CO 1.68 0.26 -0.25 0.44 -1.65 0.00 0.00 177.43 177.91 3kae h ASP 225 N 0.00 -0.60 -0.21 5.81 3.45 -1.95 -1.79 116.42 121.13 3kae h ASP 225 Ca -0.00 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 3kae h ASP 225 Cb 0.56 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.47 3kae h ASP 225 CO 0.03 -0.36 -0.17 0.11 -1.57 0.00 0.00 179.24 177.28 3kae h LYS 226 N -0.81 0.64 -0.42 3.56 1.79 -1.95 -2.25 116.57 117.12 3kae h LYS 226 Ca -0.07 -0.22 0.07 0.00 -2.18 0.00 0.00 60.65 58.24 3kae h LYS 226 Cb 0.59 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.13 3kae h LYS 226 CO 0.12 0.78 0.06 1.03 -1.08 0.00 0.00 179.45 180.36 3kae h SER 227 N 0.57 -0.04 -0.04 0.86 0.87 -1.31 -0.46 113.55 114.01 3kae h SER 227 Ca 0.09 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.56 3kae h SER 227 Cb 0.62 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3kae h SER 227 CO 0.04 0.02 -0.59 0.11 -0.53 0.00 0.00 176.83 175.88 3kae h LYS 228 N 0.19 0.64 0.02 2.24 6.56 -1.18 -2.11 116.57 122.94 3kae h LYS 228 Ca 0.21 -0.43 0.03 0.00 -1.06 0.00 0.00 60.65 59.40 3kae h LYS 228 Cb 0.27 0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 31.94 3kae h LYS 228 CO -0.29 1.04 -0.30 0.00 -2.06 0.00 0.00 179.45 177.84 3kae h ALA 229 N 0.86 -0.45 -0.20 3.86 0.00 -0.89 0.42 119.26 122.86 3kae h ALA 229 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kae h ALA 229 Cb 1.16 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 3kae h ALA 229 CO 0.12 -0.82 0.04 0.00 0.00 0.00 0.00 179.25 178.59 3kae h PHE 231 N 0.13 0.37 -0.67 0.00 -1.00 -1.19 -2.76 116.94 111.81 3kae h PHE 231 Ca 0.09 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.94 3kae h PHE 231 Cb 0.08 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 3kae h PHE 231 CO -0.14 0.29 0.35 0.93 -1.61 0.00 0.00 178.31 178.13 3kae h GLU 232 N 0.34 0.61 0.09 1.51 5.08 0.13 0.33 114.58 122.68 3kae h GLU 232 Ca 0.10 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3kae h GLU 232 Cb 0.03 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3kae h GLU 232 CO -0.02 0.40 -0.40 1.25 -1.00 0.00 0.00 179.01 179.25 3kae h LEU 233 N 0.63 -1.17 -0.89 1.33 5.85 -0.85 -1.76 115.31 118.45 3kae h LEU 233 Ca 0.32 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.13 3kae h LEU 233 Cb 0.27 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3kae h LEU 233 CO -0.22 -0.46 0.30 0.58 -0.34 0.00 0.00 178.44 178.29 3kae h VAL 234 N -0.61 1.25 -0.67 1.05 2.07 -1.25 -0.62 116.25 117.46 3kae h VAL 234 Ca 0.03 -0.79 0.16 0.00 0.82 0.00 0.00 66.70 66.92 3kae h VAL 234 Cb 0.65 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3kae h VAL 234 CO -0.25 0.32 0.46 0.03 0.02 0.00 0.00 177.57 178.15 3kae h ARG 235 N 1.08 0.22 0.02 1.57 -0.00 -0.43 0.15 114.38 116.99 3kae h ARG 235 Ca 0.25 -0.01 -0.31 0.00 -0.50 0.00 0.00 59.98 59.41 3kae h ARG 235 Cb 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.09 3kae h ARG 235 CO -0.02 0.14 -1.72 2.89 0.00 0.00 0.00 179.97 181.26 3kae n ARG 236 N -4.43 0.61 0.00 0.04 1.85 -0.71 -2.91 116.66 111.12 3kae n ARG 236 Ca 0.13 0.43 0.14 0.00 -1.00 0.00 0.00 57.85 57.55 3kae n ARG 236 Cb 0.59 -1.68 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 -4.16 0.02 -2.72 2.89 4.76 -0.31 -4.34 118.16 114.31 3kae n LYS 237 Ca -0.37 -0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 54.98 3kae n LYS 237 Cb 0.81 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.59 3kae n LYS 237 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3kae n ASP 238 N -1.49 -2.16 0.21 4.39 4.64 0.52 -3.78 116.55 118.89 3kae n ASP 238 Ca 0.07 -3.39 0.12 0.00 -1.38 0.00 0.00 54.79 50.21 3kae n ASP 238 Cb 0.34 1.80 0.69 0.00 -1.04 0.00 0.00 41.12 42.91 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 2.86 0.00 0.00 -0.67 0.11 -1.41 -0.57 132.00 132.33 3kae h PRO 239 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kae h PRO 239 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kae h PRO 239 CO 0.11 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 3kae h MET 240 N 0.00 0.00 -6.71 1.05 -0.00 -1.86 -3.47 114.93 103.93 3kae h MET 240 Ca 0.05 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.19 3kae h MET 240 Cb 0.22 0.00 0.18 0.00 -0.00 0.00 0.00 31.60 32.00 3kae h MET 240 CO -0.00 0.00 -0.20 0.34 -0.00 0.00 0.00 176.91 177.05 3kae n PHE 241 N -2.78 -0.18 -0.07 -0.10 7.35 -0.22 -5.22 117.46 116.23 3kae n PHE 241 Ca 0.04 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 3kae n PHE 241 Cb 0.43 -2.00 0.00 0.00 0.35 0.00 0.00 39.48 38.27 3kae n PHE 241 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28