#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3chg s LYS 16 N 0.00 2.99 0.06 -3.83 1.02 -1.26 -5.12 119.74 113.60 3chg s LYS 16 Ca 0.00 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 54.87 3chg s LYS 16 Cb 0.00 -2.30 0.08 0.00 -0.52 0.00 0.00 37.83 35.09 3chg s LYS 16 CO 0.00 0.13 0.70 0.99 -0.92 0.00 0.00 175.35 176.25 3chg s THR 17 N 0.46 0.00 -0.13 2.17 2.01 -1.26 -4.23 115.64 114.65 3chg s THR 17 Ca -0.16 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 3chg s THR 17 Cb -0.17 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.39 3chg s THR 17 CO 0.06 0.00 0.11 -0.51 -0.69 0.00 0.00 174.62 173.59 3chg s ILE 18 N -2.94 -0.15 0.19 1.82 2.07 0.36 -4.56 121.20 118.00 3chg s ILE 18 Ca -0.01 0.06 -0.25 0.00 -1.41 0.00 0.00 60.65 59.05 3chg s ILE 18 Cb -0.01 -0.44 -0.08 0.00 0.13 0.00 0.00 42.46 42.06 3chg s ILE 18 CO -0.07 -0.10 0.79 -0.63 -1.91 0.00 0.00 174.94 173.02 3chg s ILE 19 N 2.19 4.37 0.00 2.00 1.01 -0.96 -1.71 121.20 128.11 3chg s ILE 19 Ca 0.04 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.35 3chg s ILE 19 Cb -0.14 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3chg s ILE 19 CO -0.07 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3chg n GLY 20 N 1.34 5.26 0.00 6.18 0.00 -0.99 -2.73 105.19 114.26 3chg n GLY 20 Ca -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3chg n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3chg n ILE 21 N 0.00 0.00 -1.66 -0.61 -5.35 -0.84 -3.81 119.36 107.10 3chg n ILE 21 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 3chg n ILE 21 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 3chg n ILE 21 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3chg n ASP 22 N -0.25 1.88 -0.19 7.28 5.75 -1.26 -3.75 116.55 126.00 3chg n ASP 22 Ca 0.00 1.06 -0.03 0.00 -0.01 0.00 0.00 54.79 55.81 3chg n ASP 22 Cb 0.00 -1.43 0.16 0.00 -1.03 0.00 0.00 41.12 38.82 3chg n ASP 22 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3chg h PRO 23 N 1.76 0.97 0.00 0.11 0.13 -1.98 -3.02 132.00 129.96 3chg h PRO 23 Ca -0.46 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3chg h PRO 23 Cb 1.32 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3chg h PRO 23 CO 0.58 0.81 0.00 0.78 -0.23 0.00 0.00 178.00 179.94 3chg h GLY 24 N 1.04 0.00 -1.28 1.56 0.00 -1.91 -3.41 103.07 99.07 3chg h GLY 24 Ca 0.22 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.03 3chg h GLY 24 CO -0.01 0.00 0.24 -1.35 0.00 0.00 0.00 176.54 175.42 3chg s SER 25 N -5.16 3.23 -0.09 0.19 1.04 -1.14 -4.70 113.70 107.06 3chg s SER 25 Ca 0.00 2.10 -0.15 0.00 0.48 0.00 0.00 55.95 58.38 3chg s SER 25 Cb 0.10 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.54 3chg s SER 25 CO 0.46 -2.89 0.54 1.23 0.98 0.00 0.00 173.24 173.55 3chg h GLY 26 N -1.73 -0.12 -0.39 7.32 0.00 -1.87 -3.16 103.07 103.11 3chg h GLY 26 Ca -0.43 0.05 0.15 0.00 0.00 0.00 0.00 47.33 47.09 3chg h GLY 26 CO 0.44 -0.05 -0.13 1.19 0.00 0.00 0.00 176.54 177.99 3chg h ILE 27 N -0.97 0.31 -0.03 2.60 2.10 -1.95 0.28 117.51 119.86 3chg h ILE 27 Ca -0.01 -0.01 0.03 0.00 1.08 0.00 0.00 64.86 65.95 3chg h ILE 27 Cb 0.46 0.28 -0.06 0.00 -1.09 0.00 0.00 36.82 36.41 3chg h ILE 27 CO 0.02 0.00 -0.48 -0.03 -1.08 0.00 0.00 178.15 176.59 3chg h MET 28 N 0.02 -0.59 -0.59 2.19 4.05 -1.86 0.14 114.93 118.30 3chg h MET 28 Ca 0.35 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.88 3chg h MET 28 Cb 0.57 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.44 3chg h MET 28 CO -0.71 -0.39 0.29 1.03 0.23 0.00 0.00 176.91 177.36 3chg h SER 29 N -0.61 0.39 0.12 1.39 0.87 -1.20 -0.62 113.55 113.89 3chg h SER 29 Ca 0.04 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3chg h SER 29 Cb 0.69 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3chg h SER 29 CO -0.36 0.26 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.09 3chg h LEU 30 N 0.54 0.00 -0.06 2.23 3.38 0.36 -2.70 115.31 119.06 3chg h LEU 30 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3chg h LEU 30 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3chg h LEU 30 CO -0.20 0.04 0.00 0.41 0.09 0.00 0.00 178.44 178.77 3chg n THR 31 N -3.74 0.42 -0.01 0.22 -1.04 0.41 -2.21 114.28 108.32 3chg n THR 31 Ca -0.03 0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3chg n THR 31 Cb 0.13 -0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 3chg n THR 31 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3chg h ASP 32 N 0.00 0.01 -0.84 8.00 3.32 -1.52 -3.18 116.42 122.21 3chg h ASP 32 Ca 0.00 -0.45 0.13 0.00 0.02 0.00 0.00 57.03 56.73 3chg h ASP 32 Cb 0.48 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 3chg h ASP 32 CO 0.00 0.46 0.45 0.50 -1.72 0.00 0.00 179.24 178.93 3chg h LYS 33 N -0.43 0.65 -0.77 3.56 3.64 -1.59 0.18 116.57 121.81 3chg h LYS 33 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3chg h LYS 33 Cb 0.45 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3chg h LYS 33 CO 0.00 0.43 0.51 0.00 -2.27 0.00 0.00 179.45 178.12 3chg h ALA 34 N 1.53 0.98 0.00 5.00 0.00 -1.65 0.43 119.26 125.55 3chg h ALA 34 Ca 0.44 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3chg h ALA 34 Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3chg h ALA 34 CO -0.33 0.40 -0.39 0.52 0.00 0.00 0.00 179.25 179.45 3chg h MET 35 N 1.05 0.00 0.17 0.00 2.86 -0.68 0.15 114.93 118.47 3chg h MET 35 Ca 0.28 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.61 3chg h MET 35 Cb -0.11 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.58 3chg h MET 35 CO -0.06 0.39 -1.31 0.87 1.06 0.00 0.00 176.91 177.86 3chg h LYS 36 N 0.00 0.59 0.00 1.72 1.57 -0.78 -0.17 116.57 119.50 3chg h LYS 36 Ca -0.00 -0.86 -0.11 0.00 -1.87 0.00 0.00 60.65 57.81 3chg h LYS 36 Cb 0.70 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3chg h LYS 36 CO 0.05 1.40 -0.52 -0.44 -0.57 0.00 0.00 179.45 179.37 3chg h ASP 37 N 0.21 0.00 -0.06 0.86 3.32 0.27 -3.30 116.42 117.72 3chg h ASP 37 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3chg h ASP 37 Cb 1.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.54 3chg h ASP 37 CO 0.25 0.52 0.00 -1.22 -1.72 0.00 0.00 179.24 177.07 3chg n TYR 38 N -3.55 0.10 -2.93 4.55 4.02 0.48 -5.01 117.16 114.82 3chg n TYR 38 Ca -0.00 -0.60 -0.22 0.00 -0.01 0.00 0.00 57.90 57.06 3chg n TYR 38 Cb 0.61 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.89 3chg n TYR 38 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3chg n ASP 39 N -0.53 -6.12 -1.59 7.72 9.92 -1.05 -4.87 116.55 120.03 3chg n ASP 39 Ca 0.05 -0.25 -0.01 0.00 -0.53 0.00 0.00 54.79 54.05 3chg n ASP 39 Cb 0.37 -4.95 -0.02 0.00 -0.64 0.00 0.00 41.12 35.87 3chg n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3chg n LEU 40 N -3.88 5.02 -0.93 0.64 4.77 -0.10 -4.51 117.00 118.02 3chg n LEU 40 Ca -0.13 -2.37 0.05 0.00 -0.03 0.00 0.00 56.01 53.53 3chg n LEU 40 Cb 0.63 -1.10 0.19 0.00 -2.33 0.00 0.00 43.42 40.81 3chg n LEU 40 CO 0.45 1.03 0.62 0.59 -1.33 0.00 0.00 177.39 178.75 3chg n ASN 41 N 1.66 2.66 -0.01 -1.43 3.02 -1.25 -2.50 115.26 117.41 3chg n ASN 41 Ca 0.05 -2.20 0.02 0.00 -0.03 0.00 0.00 54.58 52.42 3chg n ASN 41 Cb 0.52 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 3chg n ASN 41 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3chg n ASP 42 N 0.52 2.01 -4.93 6.41 5.75 -1.26 -5.04 116.55 120.01 3chg n ASP 42 Ca 0.14 -2.15 -0.26 0.00 -0.01 0.00 0.00 54.79 52.50 3chg n ASP 42 Cb 0.50 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 3chg n ASP 42 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3chg s TRP 43 N -1.27 3.48 -0.08 2.11 0.52 -1.04 -4.91 118.94 117.76 3chg s TRP 43 Ca 0.05 0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.60 3chg s TRP 43 Cb 0.04 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3chg s TRP 43 CO 0.00 0.26 -0.22 0.99 0.02 0.00 0.00 176.95 178.00 3chg s THR 44 N -2.06 2.31 -0.45 2.01 2.01 -1.26 -5.00 115.64 113.20 3chg s THR 44 Ca 0.40 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3chg s THR 44 Cb -0.10 -1.88 0.09 0.00 0.01 0.00 0.00 72.50 70.62 3chg s THR 44 CO 0.31 0.56 0.32 -0.22 -0.69 0.00 0.00 174.62 174.91 3chg s LEU 45 N -0.01 5.43 0.05 4.42 2.96 -1.26 -0.48 118.68 129.79 3chg s LEU 45 Ca -0.07 -1.54 -0.21 0.00 -0.22 0.00 0.00 54.13 52.09 3chg s LEU 45 Cb -0.15 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 3chg s LEU 45 CO 0.05 -0.61 0.61 -0.63 -1.32 0.00 0.00 176.35 174.45 3chg s ILE 46 N 1.48 4.76 0.00 6.68 -1.09 -0.70 -5.02 121.20 127.32 3chg s ILE 46 Ca 0.04 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 3chg s ILE 46 Cb -0.24 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 3chg s ILE 46 CO 0.03 0.49 0.54 -1.20 -1.23 0.00 0.00 174.94 173.57 3chg n SER 47 N 2.12 0.00 0.00 3.58 7.64 -1.26 -2.35 113.62 123.35 3chg n SER 47 Ca -0.08 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3chg n SER 47 Cb 0.51 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3chg n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3chg n ALA 48 N -1.43 0.00 0.00 -0.43 0.00 -1.26 -1.98 120.51 115.41 3chg n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3chg n ALA 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3chg n ALA 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3chg n SER 49 N 2.80 -0.29 -0.16 0.00 2.88 -1.25 -4.56 113.62 113.03 3chg n SER 49 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3chg n SER 49 Cb 0.00 0.81 0.07 0.00 -0.75 0.00 0.00 64.21 64.34 3chg n SER 49 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3chg h SER 50 N 0.00 -0.11 -0.56 -3.46 0.87 -1.86 -1.61 113.55 106.82 3chg h SER 50 Ca 0.00 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3chg h SER 50 Cb 0.00 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 3chg h SER 50 CO 0.00 -0.03 0.29 0.00 -0.53 0.00 0.00 176.83 176.56 3chg h ALA 51 N 1.43 0.73 -0.40 6.23 0.00 -1.90 -2.19 119.26 123.16 3chg h ALA 51 Ca 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3chg h ALA 51 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3chg h ALA 51 CO -0.39 -0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.01 3chg h ALA 52 N 1.30 0.52 -0.88 0.00 0.00 -1.66 -3.12 119.26 115.42 3chg h ALA 52 Ca 0.25 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.26 3chg h ALA 52 Cb 0.16 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3chg h ALA 52 CO -0.17 0.08 0.39 1.98 0.00 0.00 0.00 179.25 181.53 3chg h MET 53 N 0.51 0.42 0.02 0.00 4.05 -0.66 0.25 114.93 119.53 3chg h MET 53 Ca 0.14 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.31 3chg h MET 53 Cb 0.11 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3chg h MET 53 CO -0.02 0.28 -0.96 1.79 0.23 0.00 0.00 176.91 178.23 3chg h THR 54 N 0.43 1.47 -0.41 -0.77 1.35 -1.53 -1.32 112.91 112.13 3chg h THR 54 Ca 0.54 -2.66 -0.13 0.00 -0.55 0.00 0.00 66.41 63.60 3chg h THR 54 Cb 0.98 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.93 3chg h THR 54 CO -0.50 0.78 -0.28 0.00 -0.25 0.00 0.00 175.52 175.27 3chg h ALA 55 N 0.83 0.73 -0.67 6.62 0.00 -1.11 0.15 119.26 125.82 3chg h ALA 55 Ca -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3chg h ALA 55 Cb 1.61 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3chg h ALA 55 CO 0.15 0.66 0.29 1.15 0.00 0.00 0.00 179.25 181.51 3chg h THR 56 N 0.75 1.23 -0.72 0.00 2.02 -0.57 -2.59 112.91 113.03 3chg h THR 56 Ca 0.09 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 3chg h THR 56 Cb 0.84 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3chg h THR 56 CO 0.07 0.28 0.26 0.25 0.37 0.00 0.00 175.52 176.75 3chg h LEU 57 N 0.94 1.03 0.05 2.58 5.85 -0.87 -2.94 115.31 121.94 3chg h LEU 57 Ca 0.23 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3chg h LEU 57 Cb 0.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3chg h LEU 57 CO -0.02 0.94 -0.15 0.50 -0.34 0.00 0.00 178.44 179.37 3chg h LYS 58 N 1.05 -0.26 -0.09 1.25 3.64 -0.49 -2.48 116.57 119.18 3chg h LYS 58 Ca 0.24 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 3chg h LYS 58 Cb 0.26 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3chg h LYS 58 CO -0.01 -0.17 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.55 3chg h LYS 59 N -0.27 -0.30 -0.50 1.90 1.63 -1.34 -1.42 116.57 116.27 3chg h LYS 59 Ca 0.03 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 3chg h LYS 59 Cb 0.30 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3chg h LYS 59 CO -0.11 -0.20 0.06 0.77 -3.45 0.00 0.00 179.45 176.52 3chg h SER 60 N -0.31 0.82 -0.20 4.20 0.02 -1.49 -2.76 113.55 113.83 3chg h SER 60 Ca 0.09 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3chg h SER 60 Cb 0.44 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3chg h SER 60 CO -0.27 0.89 0.04 0.22 -1.14 0.00 0.00 176.83 176.56 3chg h TYR 61 N 0.72 0.35 -0.80 3.45 3.20 -1.29 0.56 116.97 123.17 3chg h TYR 61 Ca 0.15 -0.05 0.16 0.00 3.14 0.00 0.00 58.73 62.13 3chg h TYR 61 Cb 0.43 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.50 3chg h TYR 61 CO 0.03 0.47 0.32 -0.44 -1.64 0.00 0.00 178.16 176.90 3chg h ASP 62 N 0.13 0.27 -0.14 -2.11 3.45 -1.24 0.35 116.42 117.13 3chg h ASP 62 Ca 0.06 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3chg h ASP 62 Cb 0.31 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3chg h ASP 62 CO 0.00 0.07 0.00 0.54 -1.57 0.00 0.00 179.24 178.28 3chg n ARG 63 N -5.02 1.72 -3.97 3.56 1.74 -1.05 -4.94 116.66 108.71 3chg n ARG 63 Ca 0.16 -1.08 -0.31 0.00 -0.77 0.00 0.00 57.85 55.85 3chg n ARG 63 Cb 0.48 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.52 3chg n ARG 63 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3chg n LYS 64 N 0.31 -4.83 -3.56 5.56 5.02 0.11 -4.99 118.16 115.78 3chg n LYS 64 Ca 0.17 0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 56.64 3chg n LYS 64 Cb 0.34 -5.32 -0.06 0.00 -0.02 0.00 0.00 35.03 29.97 3chg n LYS 64 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3chg s LYS 65 N -6.63 3.79 0.50 1.97 1.02 0.18 -5.00 119.74 115.57 3chg s LYS 65 Ca 0.59 0.23 -0.23 0.00 0.02 0.00 0.00 55.97 56.58 3chg s LYS 65 Cb -0.30 -3.07 -0.07 0.00 -0.52 0.00 0.00 37.83 33.88 3chg s LYS 65 CO 0.85 0.60 1.38 -1.25 -0.92 0.00 0.00 175.35 176.02 3chg s PRO 66 N -1.65 3.43 -0.28 -1.68 0.04 -1.26 -4.42 135.00 129.17 3chg s PRO 66 Ca 0.30 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.48 3chg s PRO 66 Cb -0.15 -2.46 0.11 0.00 0.04 0.00 0.00 34.50 32.04 3chg s PRO 66 CO 0.16 -0.99 0.82 -1.50 0.04 0.00 0.00 177.00 175.53 3chg s ILE 67 N -1.26 0.00 -0.18 0.56 2.07 -1.26 -5.03 121.20 116.10 3chg s ILE 67 Ca 0.66 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.89 3chg s ILE 67 Cb -0.42 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.17 3chg s ILE 67 CO 0.51 0.00 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.79 3chg s ILE 68 N 1.42 2.79 0.33 2.00 1.09 -1.26 -4.34 121.20 123.23 3chg s ILE 68 Ca -0.09 -0.71 0.09 0.00 -1.10 0.00 0.00 60.65 58.84 3chg s ILE 68 Cb -0.04 -2.21 -0.05 0.00 -1.06 0.00 0.00 42.46 39.10 3chg s ILE 68 CO -0.17 0.49 0.02 0.27 -0.10 0.00 0.00 174.94 175.46 3chg s ILE 69 N 1.08 2.74 -0.56 2.92 -4.36 -0.67 -2.25 121.20 120.11 3chg s ILE 69 Ca -0.00 -1.94 -0.17 0.00 -0.26 0.00 0.00 60.65 58.27 3chg s ILE 69 Cb -0.14 -2.81 0.11 0.00 1.25 0.00 0.00 42.46 40.87 3chg s ILE 69 CO -0.03 -0.22 0.59 0.42 0.24 0.00 0.00 174.94 175.94 3chg s THR 70 N -2.49 5.02 0.02 8.37 -4.23 -1.11 -1.40 115.64 119.83 3chg s THR 70 Ca 0.35 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.74 3chg s THR 70 Cb -0.01 -4.39 -0.03 0.00 1.34 0.00 0.00 72.50 69.41 3chg s THR 70 CO 0.20 -0.96 -0.20 -0.83 -0.54 0.00 0.00 174.62 172.29 3chg s GLY 71 N 3.49 1.51 0.19 3.99 0.00 0.26 -4.82 107.32 111.94 3chg s GLY 71 Ca 0.08 -1.16 0.10 0.00 0.00 0.00 0.00 44.72 43.73 3chg s GLY 71 CO 0.05 -1.02 -0.20 0.66 0.00 0.00 0.00 173.10 172.59 3chg s TRP 72 N -0.84 2.01 -0.09 1.90 -2.14 -1.26 -0.93 118.94 117.60 3chg s TRP 72 Ca 0.13 -0.43 0.00 0.00 2.66 0.00 0.00 56.10 58.47 3chg s TRP 72 Cb -0.10 -0.97 -0.03 0.00 -3.10 0.00 0.00 33.47 29.27 3chg s TRP 72 CO 0.03 0.44 -0.08 0.95 -2.66 0.00 0.00 176.95 175.63 3chg s THR 73 N -2.10 3.59 0.39 0.66 -4.23 -0.30 -4.08 115.64 109.58 3chg s THR 73 Ca 0.20 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 60.03 3chg s THR 73 Cb -0.06 -2.48 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 3chg s THR 73 CO 0.09 0.57 0.86 -2.16 -0.54 0.00 0.00 174.62 173.44 3chg s PRO 74 N -0.50 4.08 -0.29 3.99 0.04 -1.26 -3.98 135.00 137.09 3chg s PRO 74 Ca 0.07 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 3chg s PRO 74 Cb -0.12 -2.29 0.13 0.00 0.04 0.00 0.00 34.50 32.27 3chg s PRO 74 CO 0.02 0.02 0.92 -1.58 0.04 0.00 0.00 177.00 176.42 3chg s HIS 75 N -2.16 -0.68 0.36 0.56 2.46 -1.26 -4.67 115.29 109.91 3chg s HIS 75 Ca 0.58 1.34 0.21 0.00 0.47 0.00 0.00 55.06 57.66 3chg s HIS 75 Cb -0.10 0.41 1.12 0.00 -0.13 0.00 0.00 32.58 33.88 3chg s HIS 75 CO 0.18 -0.34 1.58 0.11 -2.47 0.00 0.00 174.74 173.80 3chg h TRP 76 N 6.33 0.00 -0.69 3.88 5.08 -1.91 -2.57 115.95 126.07 3chg h TRP 76 Ca -0.28 0.00 0.12 0.00 1.08 0.00 0.00 58.89 59.81 3chg h TRP 76 Cb 1.19 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.23 3chg h TRP 76 CO 0.11 0.00 -0.33 0.52 -1.28 0.00 0.00 178.44 177.46 3chg h MET 77 N 0.00 -0.11 0.00 0.12 2.86 -1.95 -2.60 114.93 113.25 3chg h MET 77 Ca 0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3chg h MET 77 Cb 0.71 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 3chg h MET 77 CO 0.00 -0.07 -0.11 0.74 1.06 0.00 0.00 176.91 178.53 3chg h PHE 78 N -0.11 0.00 0.00 -0.22 0.04 -1.67 -0.08 116.94 114.90 3chg h PHE 78 Ca 0.27 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.87 3chg h PHE 78 Cb 0.56 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 3chg h PHE 78 CO -0.68 0.11 -0.88 0.66 -0.60 0.00 0.00 178.31 176.91 3chg h SER 79 N 0.00 0.00 0.14 2.17 4.64 -1.67 -3.38 113.55 115.45 3chg h SER 79 Ca -0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3chg h SER 79 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 3chg h SER 79 CO 0.01 0.79 -2.17 0.54 -0.87 0.00 0.00 176.83 175.13 3chg n ARG 80 N -3.26 0.67 -4.52 4.77 5.12 -0.91 -4.94 116.66 113.59 3chg n ARG 80 Ca -0.01 0.05 -0.26 0.00 -1.93 0.00 0.00 57.85 55.70 3chg n ARG 80 Cb 0.86 -1.59 -0.13 0.00 -1.16 0.00 0.00 32.46 30.44 3chg n ARG 80 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3chg s TYR 81 N -2.62 1.97 -0.64 -1.55 2.02 -0.09 -5.09 117.35 111.35 3chg s TYR 81 Ca -0.08 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 55.94 3chg s TYR 81 Cb 0.07 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.53 3chg s TYR 81 CO 0.83 0.18 1.23 0.15 -1.57 0.00 0.00 175.55 176.38 3chg s LYS 82 N -1.58 3.39 0.20 -0.62 1.02 -1.26 -4.42 119.74 116.47 3chg s LYS 82 Ca 0.09 0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.21 3chg s LYS 82 Cb -0.10 -4.08 -0.05 0.00 -0.52 0.00 0.00 37.83 33.09 3chg s LYS 82 CO 0.03 -1.87 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.01 3chg s LEU 83 N 5.29 2.42 -0.04 3.17 1.43 -1.26 -0.94 118.68 128.75 3chg s LEU 83 Ca 0.40 -1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 3chg s LEU 83 Cb -0.08 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.72 3chg s LEU 83 CO 0.22 -0.35 0.25 -1.59 0.23 0.00 0.00 176.35 175.10 3chg s LYS 84 N -3.76 0.50 0.84 1.70 -2.85 -0.56 -4.78 119.74 110.84 3chg s LYS 84 Ca 0.23 -0.06 -0.12 0.00 -1.00 0.00 0.00 55.97 55.03 3chg s LYS 84 Cb 0.03 0.22 0.10 0.00 -2.06 0.00 0.00 37.83 36.12 3chg s LYS 84 CO 0.06 -0.12 1.15 0.71 0.10 0.00 0.00 175.35 177.25 3chg s TYR 85 N -0.85 2.78 -0.01 1.78 2.02 -1.26 -1.21 117.35 120.60 3chg s TYR 85 Ca -0.09 0.84 0.08 0.00 -0.37 0.00 0.00 57.07 57.53 3chg s TYR 85 Cb -0.05 -3.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.10 3chg s TYR 85 CO 0.02 -1.99 -0.25 -0.51 -1.57 0.00 0.00 175.55 171.26 3chg s LEU 86 N -5.77 2.07 0.03 -1.29 1.43 -1.17 -4.87 118.68 109.11 3chg s LEU 86 Ca 0.62 -0.47 -0.38 0.00 -1.03 0.00 0.00 54.13 52.87 3chg s LEU 86 Cb -0.13 -1.26 -0.19 0.00 0.03 0.00 0.00 46.19 44.64 3chg s LEU 86 CO 0.51 0.29 1.06 0.47 0.23 0.00 0.00 176.35 178.92 3chg n ASP 87 N 2.36 0.15 -3.13 2.29 9.92 0.18 -4.60 116.55 123.72 3chg n ASP 87 Ca -0.16 1.15 -0.28 0.00 -0.53 0.00 0.00 54.79 54.98 3chg n ASP 87 Cb 0.52 -0.97 -0.05 0.00 -0.64 0.00 0.00 41.12 39.98 3chg n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3chg n ASP 88 N 1.69 4.37 0.30 -2.24 4.64 -1.26 -1.94 116.55 122.11 3chg n ASP 88 Ca 0.19 -3.61 0.20 0.00 -1.38 0.00 0.00 54.79 50.20 3chg n ASP 88 Cb 0.11 -0.62 1.02 0.00 -1.04 0.00 0.00 41.12 40.59 3chg n ASP 88 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3chg h PRO 89 N 3.44 0.00 -0.00 -0.67 0.13 -2.01 0.56 132.00 133.45 3chg h PRO 89 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3chg h PRO 89 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3chg h PRO 89 CO 0.84 0.00 -0.35 1.63 -0.23 0.00 0.00 178.00 179.89 3chg n LYS 90 N -2.97 0.01 -3.37 0.86 5.02 -1.26 -4.96 118.16 111.50 3chg n LYS 90 Ca -0.02 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 3chg n LYS 90 Cb 0.12 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 3chg n LYS 90 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3chg n GLN 91 N -1.49 -6.46 0.23 1.97 6.02 0.19 -4.92 117.38 112.93 3chg n GLN 91 Ca 0.06 0.72 0.08 0.00 -0.01 0.00 0.00 57.00 57.85 3chg n GLN 91 Cb 0.34 -5.40 0.57 0.00 1.02 0.00 0.00 30.24 26.77 3chg n GLN 91 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3chg h SER 92 N -2.09 0.00 -0.27 1.08 0.02 -1.93 -0.65 113.55 109.70 3chg h SER 92 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3chg h SER 92 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3chg h SER 92 CO 0.46 0.19 0.00 -1.22 -1.14 0.00 0.00 176.83 175.12 3chg n TYR 93 N -3.99 0.48 -3.27 3.45 4.01 -1.26 -4.74 117.16 111.84 3chg n TYR 93 Ca -0.02 -0.21 0.04 0.00 -0.16 0.00 0.00 57.90 57.54 3chg n TYR 93 Cb 0.27 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 3chg n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3chg n GLY 94 N 0.79 -1.67 2.97 2.72 0.00 -0.25 -4.90 105.19 104.84 3chg n GLY 94 Ca 0.10 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 3chg n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3chg s SER 95 N -4.27 0.17 -0.83 1.61 1.04 -1.26 -4.92 113.70 105.24 3chg s SER 95 Ca 0.00 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 3chg s SER 95 Cb 0.00 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 3chg s SER 95 CO 0.00 -0.24 0.75 0.00 0.98 0.00 0.00 173.24 174.73 3chg n ALA 96 N 1.91 -2.51 -2.55 5.32 0.00 -1.26 -4.92 120.51 116.50 3chg n ALA 96 Ca -0.21 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 3chg n ALA 96 Cb 0.56 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 3chg n ALA 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3chg s GLU 97 N -3.50 3.59 0.06 0.00 2.56 -1.25 -4.66 118.70 115.50 3chg s GLU 97 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.97 55.02 3chg s GLU 97 Cb -0.02 -2.65 -0.04 0.00 2.00 0.00 0.00 34.13 33.43 3chg s GLU 97 CO 0.76 0.19 -0.05 -1.21 -0.56 0.00 0.00 175.26 174.38 3chg s GLU 98 N -3.77 0.66 -0.01 4.30 2.02 -0.11 -1.16 118.70 120.63 3chg s GLU 98 Ca 0.43 -1.15 -0.06 0.00 0.02 0.00 0.00 54.97 54.21 3chg s GLU 98 Cb -0.10 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.06 3chg s GLU 98 CO 0.32 -0.05 0.25 0.42 0.02 0.00 0.00 175.26 176.22 3chg s ILE 99 N -3.25 5.34 0.07 -1.63 1.01 -0.46 -1.23 121.20 121.05 3chg s ILE 99 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.88 3chg s ILE 99 Cb 0.03 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3chg s ILE 99 CO -0.06 0.39 -0.13 -1.00 0.00 0.00 0.00 174.94 174.14 3chg s HIS 100 N -1.27 1.12 -0.24 3.97 3.76 0.21 -2.45 115.29 120.38 3chg s HIS 100 Ca 0.26 -0.49 -0.10 0.00 -0.15 0.00 0.00 55.06 54.58 3chg s HIS 100 Cb -0.13 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 3chg s HIS 100 CO 0.15 0.03 0.14 0.99 -0.85 0.00 0.00 174.74 175.21 3chg s THR 101 N -1.46 5.09 0.03 1.30 2.01 0.22 -3.35 115.64 119.49 3chg s THR 101 Ca -0.02 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.13 3chg s THR 101 Cb -0.09 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3chg s THR 101 CO 0.02 0.33 -0.17 0.27 -0.69 0.00 0.00 174.62 174.38 3chg s ILE 102 N 1.26 1.32 0.08 1.82 -5.25 0.75 -1.80 121.20 119.38 3chg s ILE 102 Ca 0.07 -1.01 0.03 0.00 -0.99 0.00 0.00 60.65 58.74 3chg s ILE 102 Cb -0.14 -1.16 -0.03 0.00 2.95 0.00 0.00 42.46 44.07 3chg s ILE 102 CO 0.06 0.13 -0.09 0.42 -1.79 0.00 0.00 174.94 173.67 3chg s THR 103 N -0.75 0.78 0.92 8.37 -4.23 0.24 -0.26 115.64 120.70 3chg s THR 103 Ca 0.04 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 3chg s THR 103 Cb -0.08 -1.27 0.14 0.00 1.34 0.00 0.00 72.50 72.63 3chg s THR 103 CO 0.01 -0.60 1.11 0.00 -0.54 0.00 0.00 174.62 174.60 3chg s ARG 104 N -2.79 1.05 0.23 3.99 1.70 -0.48 0.42 118.95 123.07 3chg s ARG 104 Ca 0.04 1.26 -0.32 0.00 -0.47 0.00 0.00 55.73 56.23 3chg s ARG 104 Cb -0.02 -1.75 -0.13 0.00 -0.57 0.00 0.00 34.95 32.48 3chg s ARG 104 CO -0.01 -2.51 1.54 1.63 -1.08 0.00 0.00 175.30 174.87 3chg n LYS 105 N -4.12 2.34 -0.99 3.89 4.76 -1.26 -2.53 118.16 120.25 3chg n LYS 105 Ca 0.09 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.37 3chg n LYS 105 Cb 0.53 -2.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.14 3chg n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3chg n GLY 106 N 2.75 0.49 0.35 0.72 0.00 -1.26 -4.91 105.19 103.32 3chg n GLY 106 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3chg n GLY 106 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3chg h PHE 107 N 0.00 0.97 -0.87 1.61 3.57 -1.85 -2.08 116.94 118.29 3chg h PHE 107 Ca 0.00 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.60 3chg h PHE 107 Cb 0.13 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.48 3chg h PHE 107 CO 0.08 0.62 0.57 0.77 -2.23 0.00 0.00 178.31 178.12 3chg h SER 108 N 1.03 0.79 -0.51 0.41 0.02 -1.86 -2.53 113.55 110.90 3chg h SER 108 Ca 0.27 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3chg h SER 108 Cb -0.08 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 3chg h SER 108 CO -0.06 0.47 0.12 0.50 -1.14 0.00 0.00 176.83 176.72 3chg h LYS 109 N 0.88 0.89 0.02 3.45 3.64 -1.78 -2.86 116.57 120.80 3chg h LYS 109 Ca 0.40 -0.20 -0.35 0.00 -1.27 0.00 0.00 60.65 59.23 3chg h LYS 109 Cb 0.38 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 3chg h LYS 109 CO -0.16 0.81 -2.16 0.39 -2.27 0.00 0.00 179.45 176.05 3chg n GLU 110 N -4.25 0.68 -3.24 1.90 1.02 -1.09 -4.56 120.64 111.09 3chg n GLU 110 Ca 0.04 0.16 -0.25 0.00 -0.02 0.00 0.00 57.16 57.09 3chg n GLU 110 Cb 0.25 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 3chg n GLU 110 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3chg n GLN 111 N -3.08 1.75 0.13 3.49 6.02 -0.97 -4.94 117.38 119.78 3chg n GLN 111 Ca -0.32 -3.99 0.11 0.00 -0.01 0.00 0.00 57.00 52.80 3chg n GLN 111 Cb 1.07 -1.80 0.49 0.00 1.02 0.00 0.00 30.24 31.03 3chg n GLN 111 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3chg n PRO 112 N 0.82 0.17 0.02 -1.09 -0.04 -1.08 -1.55 135.00 132.24 3chg n PRO 112 Ca 0.26 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 64.09 3chg n PRO 112 Cb 0.49 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 3chg n PRO 112 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3chg h ASN 113 N 0.00 -0.12 0.44 3.54 -0.73 -1.92 -2.71 115.58 114.07 3chg h ASN 113 Ca 0.00 -0.42 -0.03 0.00 1.87 0.00 0.00 56.30 57.72 3chg h ASN 113 Cb 0.27 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 3chg h ASN 113 CO 0.00 0.50 -0.15 0.00 -0.37 0.00 0.00 177.43 177.41 3chg h ALA 114 N -0.35 1.27 0.27 1.57 0.00 -1.85 -1.29 119.26 118.88 3chg h ALA 114 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3chg h ALA 114 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3chg h ALA 114 CO 0.02 0.19 -0.13 0.00 0.00 0.00 0.00 179.25 179.34 3chg h ALA 115 N 1.85 -0.36 0.00 0.00 0.00 -1.39 -2.30 119.26 117.06 3chg h ALA 115 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3chg h ALA 115 Cb 0.41 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3chg h ALA 115 CO 0.02 -0.48 -0.01 -0.22 0.00 0.00 0.00 179.25 178.55 3chg h LYS 116 N -0.80 0.00 0.42 0.00 3.64 -1.13 1.17 116.57 119.87 3chg h LYS 116 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3chg h LYS 116 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3chg h LYS 116 CO 0.06 0.01 -0.20 1.25 -2.27 0.00 0.00 179.45 178.30 3chg h LEU 117 N 0.00 -0.48 0.19 5.20 6.46 -1.27 -3.26 115.31 122.16 3chg h LEU 117 Ca -0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3chg h LEU 117 Cb 0.03 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3chg h LEU 117 CO 0.00 -0.08 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.51 3chg h LEU 118 N -0.99 -0.42 -1.50 2.25 4.07 -0.58 -2.68 115.31 115.46 3chg h LEU 118 Ca -0.06 0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.97 3chg h LEU 118 Cb 0.56 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3chg h LEU 118 CO 0.10 -0.25 0.55 0.77 -1.08 0.00 0.00 178.44 178.52 3chg h SER 119 N -0.37 0.00 -0.25 -0.43 4.64 0.12 0.35 113.55 117.61 3chg h SER 119 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3chg h SER 119 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3chg h SER 119 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 3chg n GLN 120 N -2.93 2.88 -2.51 4.77 6.02 -1.03 -4.55 117.38 120.03 3chg n GLN 120 Ca 0.01 -1.96 -0.42 0.00 -0.01 0.00 0.00 57.00 54.62 3chg n GLN 120 Cb 0.61 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.61 3chg n GLN 120 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3chg s PHE 121 N -1.12 3.41 -0.08 1.08 5.36 0.12 -4.63 117.98 122.14 3chg s PHE 121 Ca 0.19 1.38 -0.18 0.00 -0.96 0.00 0.00 56.93 57.35 3chg s PHE 121 Cb 0.10 -3.34 0.04 0.00 -0.34 0.00 0.00 43.02 39.48 3chg s PHE 121 CO 0.11 -0.95 0.43 0.21 -1.46 0.00 0.00 175.22 173.57 3chg s LYS 122 N 1.47 0.69 -0.26 10.12 2.20 -1.26 -3.94 119.74 128.77 3chg s LYS 122 Ca 0.56 0.19 -0.34 0.00 -0.36 0.00 0.00 55.97 56.02 3chg s LYS 122 Cb -0.25 0.32 0.17 0.00 -1.51 0.00 0.00 37.83 36.55 3chg s LYS 122 CO 0.26 -0.17 1.31 1.67 -0.36 0.00 0.00 175.35 178.07 3chg s TRP 123 N -0.74 -0.07 0.67 4.03 1.48 -0.59 -5.04 118.94 118.68 3chg s TRP 123 Ca -0.08 0.08 -0.05 0.00 -1.06 0.00 0.00 56.10 54.99 3chg s TRP 123 Cb -0.04 0.50 0.06 0.00 -1.16 0.00 0.00 33.47 32.83 3chg s TRP 123 CO 0.04 -0.08 0.96 0.95 -4.06 0.00 0.00 176.95 174.75 3chg s THR 124 N -1.67 2.36 0.26 0.66 -4.23 -1.26 -4.39 115.64 107.37 3chg s THR 124 Ca 0.09 -0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 3chg s THR 124 Cb -0.01 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 71.01 3chg s THR 124 CO -0.05 0.00 1.83 1.56 -0.54 0.00 0.00 174.62 177.42 3chg h GLN 125 N -0.44 1.01 -0.61 3.99 4.20 -1.96 -3.00 115.11 118.30 3chg h GLN 125 Ca -0.44 -0.18 0.18 0.00 0.06 0.00 0.00 58.65 58.27 3chg h GLN 125 Cb 1.31 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 3chg h GLN 125 CO 0.58 0.83 0.47 0.38 -0.67 0.00 0.00 178.83 180.41 3chg h ASP 126 N 0.98 0.00 0.23 1.46 2.03 -2.00 -0.63 116.42 118.50 3chg h ASP 126 Ca 0.23 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.23 3chg h ASP 126 Cb 0.21 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.65 3chg h ASP 126 CO -0.02 0.00 -2.04 -0.62 -1.03 0.00 0.00 179.24 175.53 3chg n GLU 127 N -4.21 0.66 0.12 4.15 1.02 -1.14 -3.77 120.64 117.47 3chg n GLU 127 Ca 0.12 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.34 3chg n GLU 127 Cb 0.71 -1.64 0.17 0.00 -0.02 0.00 0.00 31.44 30.65 3chg n GLU 127 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3chg h MET 128 N 0.00 0.08 -0.33 3.49 4.05 -1.41 -3.15 114.93 117.65 3chg h MET 128 Ca -0.39 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.04 3chg h MET 128 Cb 2.03 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 32.78 3chg h MET 128 CO 0.05 0.65 -0.03 0.78 0.23 0.00 0.00 176.91 178.59 3chg h GLY 129 N 1.68 0.30 -0.83 1.39 0.00 -1.23 0.48 103.07 104.85 3chg h GLY 129 Ca -0.01 0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.53 3chg h GLY 129 CO 0.08 -0.10 -0.30 1.18 0.00 0.00 0.00 176.54 177.41 3chg n GLU 130 N -5.21 -0.17 0.04 4.80 1.02 -1.19 -0.46 120.64 119.47 3chg n GLU 130 Ca 0.01 1.28 -0.20 0.00 -0.02 0.00 0.00 57.16 58.24 3chg n GLU 130 Cb 0.18 -1.91 -0.14 0.00 -0.02 0.00 0.00 31.44 29.55 3chg n GLU 130 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3chg h ILE 131 N 0.00 1.51 -0.55 -3.67 2.04 -1.49 -2.91 117.51 112.46 3chg h ILE 131 Ca 0.32 -2.48 0.06 0.00 1.00 0.00 0.00 64.86 63.75 3chg h ILE 131 Cb 0.52 3.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.70 3chg h ILE 131 CO -0.83 0.70 0.26 0.24 0.00 0.00 0.00 178.15 178.53 3chg h MET 132 N -0.36 0.49 -0.04 2.37 2.86 -0.42 0.22 114.93 120.05 3chg h MET 132 Ca -0.13 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3chg h MET 132 Cb 1.59 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 3chg h MET 132 CO 0.14 0.32 0.01 0.82 1.06 0.00 0.00 176.91 179.27 3chg h ILE 133 N 0.50 1.18 -0.59 -1.22 2.04 -0.89 0.20 117.51 118.74 3chg h ILE 133 Ca 0.25 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3chg h ILE 133 Cb 0.19 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3chg h ILE 133 CO -0.19 0.15 0.32 0.11 0.00 0.00 0.00 178.15 178.55 3chg h LYS 134 N -0.15 0.60 -0.69 2.37 1.79 -1.25 0.47 116.57 119.70 3chg h LYS 134 Ca 0.01 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 3chg h LYS 134 Cb 0.23 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 3chg h LYS 134 CO 0.00 0.40 0.14 0.28 -1.08 0.00 0.00 179.45 179.18 3chg h VAL 135 N 0.62 1.26 0.00 0.50 2.07 -0.51 -2.56 116.25 117.63 3chg h VAL 135 Ca 0.25 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 3chg h VAL 135 Cb 0.13 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3chg h VAL 135 CO -0.15 0.39 -0.26 -0.08 0.02 0.00 0.00 177.57 177.48 3chg h GLU 136 N 1.06 0.00 -0.21 1.57 4.57 0.52 -1.97 114.58 120.12 3chg h GLU 136 Ca 0.21 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3chg h GLU 136 Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3chg h GLU 136 CO 0.01 0.26 0.07 1.49 -1.18 0.00 0.00 179.01 179.66 3chg h GLU 137 N 0.00 0.29 0.00 1.92 4.57 0.24 -3.46 114.58 118.13 3chg h GLU 137 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3chg h GLU 137 Cb 0.48 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3chg h GLU 137 CO 0.03 0.25 0.00 0.41 -1.18 0.00 0.00 179.01 178.52 3chg n GLY 138 N -1.33 1.50 3.57 1.92 0.00 -0.74 -5.10 105.19 105.01 3chg n GLY 138 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3chg n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3chg s GLU 139 N 0.00 3.89 -0.08 1.61 2.02 -1.00 -5.03 118.70 120.11 3chg s GLU 139 Ca 0.00 -0.37 -0.40 0.00 0.02 0.00 0.00 54.97 54.22 3chg s GLU 139 Cb 0.00 -3.36 -0.19 0.00 0.10 0.00 0.00 34.13 30.68 3chg s GLU 139 CO 0.00 0.03 1.29 1.63 0.02 0.00 0.00 175.26 178.23 3chg n LYS 140 N 4.29 0.40 0.07 1.61 4.76 -1.26 -4.01 118.16 124.02 3chg n LYS 140 Ca -0.16 0.15 -0.04 0.00 -2.87 0.00 0.00 58.31 55.38 3chg n LYS 140 Cb 0.52 -1.70 0.16 0.00 -1.84 0.00 0.00 35.03 32.16 3chg n LYS 140 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3chg h PRO 141 N 4.12 0.30 -0.55 1.97 0.11 -1.94 -1.83 132.00 134.18 3chg h PRO 141 Ca -0.49 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 65.40 3chg h PRO 141 Cb 1.39 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.49 3chg h PRO 141 CO 0.77 0.73 0.13 0.00 -0.21 0.00 0.00 178.00 179.42 3chg h ALA 142 N 1.24 0.72 -0.39 -0.75 0.00 -1.89 -2.51 119.26 115.68 3chg h ALA 142 Ca 0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 3chg h ALA 142 Cb 0.96 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3chg h ALA 142 CO 0.08 0.43 0.04 1.63 0.00 0.00 0.00 179.25 181.42 3chg n LYS 143 N -4.40 2.55 -0.07 0.00 4.01 -1.22 -3.87 118.16 115.16 3chg n LYS 143 Ca 0.02 -3.01 -0.07 0.00 -0.51 0.00 0.00 58.31 54.74 3chg n LYS 143 Cb 0.23 -1.89 -0.13 0.00 -0.51 0.00 0.00 35.03 32.73 3chg n LYS 143 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 3chg n VAL 144 N -0.75 1.03 0.29 -0.18 3.14 -0.69 -4.45 118.33 116.71 3chg n VAL 144 Ca 0.30 -0.67 0.10 0.00 -2.96 0.00 0.00 64.34 61.11 3chg n VAL 144 Cb 1.05 -0.51 0.48 0.00 -1.06 0.00 0.00 33.84 33.80 3chg n VAL 144 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3chg n ALA 145 N -2.57 1.37 -0.03 1.55 0.00 -0.95 -1.17 120.51 118.71 3chg n ALA 145 Ca -0.25 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 3chg n ALA 145 Cb 0.99 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 3chg n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3chg h ALA 146 N 2.16 0.05 -0.77 0.00 0.00 -1.78 -3.12 119.26 115.80 3chg h ALA 146 Ca 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 54.91 54.57 3chg h ALA 146 Cb 0.19 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 3chg h ALA 146 CO 0.00 0.09 0.39 1.49 0.00 0.00 0.00 179.25 181.21 3chg h GLU 147 N -0.43 0.61 -0.52 0.00 4.81 -1.39 0.12 114.58 117.77 3chg h GLU 147 Ca -0.03 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3chg h GLU 147 Cb 0.97 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 3chg h GLU 147 CO 0.05 0.40 0.18 -0.92 -0.73 0.00 0.00 179.01 177.99 3chg h TYR 148 N 0.63 0.32 0.00 0.92 3.20 -1.60 0.44 116.97 120.88 3chg h TYR 148 Ca 0.39 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 3chg h TYR 148 Cb 0.46 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3chg h TYR 148 CO -0.10 0.10 -0.12 0.28 -1.64 0.00 0.00 178.16 176.68 3chg h VAL 149 N 0.36 0.52 0.00 1.81 2.07 -0.93 0.13 116.25 120.21 3chg h VAL 149 Ca 0.25 -0.55 -0.23 0.00 0.82 0.00 0.00 66.70 66.99 3chg h VAL 149 Cb 0.27 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3chg h VAL 149 CO -0.26 0.11 -1.67 0.59 0.02 0.00 0.00 177.57 176.37 3chg n ASN 150 N -3.58 0.71 0.09 0.57 4.13 -0.43 -4.42 115.26 112.32 3chg n ASN 150 Ca -0.02 0.33 -0.08 0.00 1.68 0.00 0.00 54.58 56.49 3chg n ASN 150 Cb 0.25 0.27 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 3chg n ASN 150 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3chg h LYS 151 N 0.00 -0.30 -7.01 3.52 1.57 0.32 -3.44 116.57 111.24 3chg h LYS 151 Ca -0.25 0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.10 3chg h LYS 151 Cb 1.80 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 3chg h LYS 151 CO 0.05 -0.03 0.30 -1.01 -0.57 0.00 0.00 179.45 178.20 3chg s HIS 152 N -3.00 3.33 0.00 -1.35 3.76 0.42 -4.97 115.29 113.48 3chg s HIS 152 Ca -0.09 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 3chg s HIS 152 Cb 0.00 -2.80 0.00 0.00 1.11 0.00 0.00 32.58 30.89 3chg s HIS 152 CO 0.30 -0.07 0.00 1.63 -0.85 0.00 0.00 174.74 175.75 3chg n LYS 153 N -0.57 0.00 -0.35 1.40 5.02 -1.26 -4.46 118.16 117.94 3chg n LYS 153 Ca 0.06 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.51 3chg n LYS 153 Cb 0.54 -0.15 0.36 0.00 -0.02 0.00 0.00 35.03 35.75 3chg n LYS 153 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3chg h ASP 154 N 0.00 0.72 -0.09 4.39 5.19 -1.95 -1.91 116.42 122.77 3chg h ASP 154 Ca 0.00 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3chg h ASP 154 Cb 0.00 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 3chg h ASP 154 CO 0.00 0.21 -0.05 -0.61 -3.12 0.00 0.00 179.24 175.67 3chg h GLN 155 N 0.67 0.19 0.00 3.56 4.15 -1.99 -1.83 115.11 119.86 3chg h GLN 155 Ca 0.60 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.92 3chg h GLN 155 Cb 1.05 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 3chg h GLN 155 CO -0.40 0.55 -0.09 0.82 -1.93 0.00 0.00 178.83 177.78 3chg h ILE 156 N -0.18 0.25 -0.36 2.39 5.03 -1.81 0.59 117.51 123.42 3chg h ILE 156 Ca 0.02 -0.73 -0.11 0.00 -0.12 0.00 0.00 64.86 63.92 3chg h ILE 156 Cb 0.50 1.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.86 3chg h ILE 156 CO 0.01 0.09 -0.22 0.00 -0.68 0.00 0.00 178.15 177.36 3chg h ALA 157 N 1.91 0.51 -0.08 1.87 0.00 -1.19 -2.38 119.26 119.89 3chg h ALA 157 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3chg h ALA 157 Cb 0.57 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3chg h ALA 157 CO 0.01 0.48 -0.62 0.93 0.00 0.00 0.00 179.25 180.04 3chg h GLU 158 N 0.57 0.57 -0.81 0.00 4.39 -0.42 -1.34 114.58 117.54 3chg h GLU 158 Ca 0.07 -0.50 0.14 0.00 0.34 0.00 0.00 59.36 59.41 3chg h GLU 158 Cb 0.77 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 29.45 3chg h GLU 158 CO 0.06 1.13 0.39 -1.49 -1.16 0.00 0.00 179.01 177.94 3chg h TRP 159 N 0.18 0.69 -0.73 4.33 4.06 0.06 -2.82 115.95 121.72 3chg h TRP 159 Ca -0.05 0.03 -0.51 0.00 2.06 0.00 0.00 58.89 60.42 3chg h TRP 159 Cb 1.28 -0.18 -0.34 0.00 -1.00 0.00 0.00 29.16 28.92 3chg h TRP 159 CO 0.11 0.16 -0.29 0.25 -3.56 0.00 0.00 178.44 175.12 3chg n THR 160 N -4.90 2.80 -2.19 1.49 -2.24 -0.90 -4.66 114.28 103.68 3chg n THR 160 Ca 0.15 -3.66 -0.42 0.00 -2.27 0.00 0.00 64.05 57.85 3chg n THR 160 Cb 0.40 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 3chg n THR 160 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3chg s LYS 161 N -3.60 4.32 -1.03 -0.78 2.20 -0.51 -3.00 119.74 117.34 3chg s LYS 161 Ca 0.53 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 3chg s LYS 161 Cb 0.43 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 3chg s LYS 161 CO 0.02 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 3chg n GLY 162 N 3.53 0.91 3.29 5.54 0.00 -1.26 -4.96 105.19 112.25 3chg n GLY 162 Ca 0.12 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3chg n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3chg s VAL 163 N -2.40 4.10 -0.12 1.61 1.01 -1.16 -5.06 120.40 118.37 3chg s VAL 163 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 3chg s VAL 163 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3chg s VAL 163 CO 0.00 -0.31 1.36 -1.10 0.00 0.00 0.00 175.10 175.05 3chg s GLN 164 N 1.44 4.23 0.36 2.72 -1.52 -1.26 -5.01 119.66 120.62 3chg s GLN 164 Ca 0.01 1.81 -0.27 0.00 -1.95 0.00 0.00 55.36 54.95 3chg s GLN 164 Cb -0.21 -3.80 -0.12 0.00 -0.22 0.00 0.00 33.01 28.67 3chg s GLN 164 CO 0.03 -0.72 1.28 1.17 -0.25 0.00 0.00 175.29 176.81 3chg n LYS 165 N 6.60 2.08 -4.23 2.91 4.81 -1.26 -5.00 118.16 124.07 3chg n LYS 165 Ca 0.15 0.73 -0.25 0.00 -0.87 0.00 0.00 58.31 58.07 3chg n LYS 165 Cb 0.44 -2.34 -0.08 0.00 0.02 0.00 0.00 35.03 33.08 3chg n LYS 165 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3chg s VAL 166 N -1.12 2.52 -0.26 3.15 -7.23 0.98 -5.02 120.40 113.42 3chg s VAL 166 Ca 0.57 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3chg s VAL 166 Cb -0.55 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.48 3chg s VAL 166 CO 0.61 -0.10 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.53 3chg s LYS 167 N -3.81 2.92 0.00 4.82 2.36 -1.26 -4.19 119.74 120.58 3chg s LYS 167 Ca 0.38 -0.93 0.00 0.00 -2.55 0.00 0.00 55.97 52.86 3chg s LYS 167 Cb 0.02 -3.10 0.00 0.00 -1.05 0.00 0.00 37.83 33.70 3chg s LYS 167 CO 0.21 -0.41 0.00 0.41 1.55 0.00 0.00 175.35 177.11 3chg n GLY 168 N 4.73 2.79 3.59 5.54 0.00 -1.26 -5.00 105.19 115.57 3chg n GLY 168 Ca -0.16 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.33 3chg n GLY 168 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3chg n ASP 169 N 0.51 1.55 -4.76 1.61 8.00 -1.26 -4.35 116.55 117.85 3chg n ASP 169 Ca 0.00 1.12 -0.26 0.00 0.71 0.00 0.00 54.79 56.36 3chg n ASP 169 Cb 0.00 -1.16 0.09 0.00 -0.02 0.00 0.00 41.12 40.03 3chg n ASP 169 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3chg s LYS 170 N 0.62 1.86 0.00 -1.24 -0.14 -1.26 -2.32 119.74 117.26 3chg s LYS 170 Ca 0.86 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 55.11 3chg s LYS 170 Cb -0.99 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 3chg s LYS 170 CO 0.49 -1.49 0.00 1.51 -0.76 0.00 0.00 175.35 175.10 3chg n ILE 171 N -3.08 0.00 -2.75 2.17 3.06 -1.26 -4.92 119.36 112.59 3chg n ILE 171 Ca 0.10 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.92 3chg n ILE 171 Cb 0.60 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.75 3chg n ILE 171 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 3chg s ASN 172 N 0.00 6.56 -0.02 9.51 2.47 -1.26 -4.06 114.94 128.13 3chg s ASN 172 Ca 0.00 0.27 -0.25 0.00 0.42 0.00 0.00 52.86 53.29 3chg s ASN 172 Cb 0.00 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.28 3chg s ASN 172 CO 0.00 -1.11 0.79 -0.76 -3.72 0.00 0.00 177.10 172.30 3chg s LEU 173 N 3.97 4.36 -0.07 3.21 1.43 -0.93 -2.04 118.68 128.62 3chg s LEU 173 Ca 0.41 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3chg s LEU 173 Cb -0.09 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3chg s LEU 173 CO 0.28 -0.12 -0.08 0.00 0.23 0.00 0.00 176.35 176.66 3chg s ALA 174 N 0.64 2.93 0.15 4.21 0.00 -0.19 -0.94 121.76 128.55 3chg s ALA 174 Ca 0.41 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 3chg s ALA 174 Cb -0.19 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3chg s ALA 174 CO 0.22 0.55 0.06 1.52 0.00 0.00 0.00 175.76 178.11 3chg s TYR 175 N -0.74 0.99 -0.01 0.00 -0.85 -0.97 -4.08 117.35 111.69 3chg s TYR 175 Ca 0.11 -1.21 0.01 0.00 -0.52 0.00 0.00 57.07 55.46 3chg s TYR 175 Cb -0.11 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 3chg s TYR 175 CO 0.01 -0.47 0.01 0.08 -1.52 0.00 0.00 175.55 173.66 3chg s VAL 176 N -3.98 4.26 0.00 -3.49 1.01 -1.25 -2.20 120.40 114.74 3chg s VAL 176 Ca 0.26 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3chg s VAL 176 Cb 0.07 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.44 3chg s VAL 176 CO 0.04 0.38 1.92 0.00 0.00 0.00 0.00 175.10 177.44 3chg n ALA 177 N 1.40 3.61 -2.55 5.51 0.00 -1.26 -4.36 120.51 122.86 3chg n ALA 177 Ca -0.14 -0.76 -0.37 0.00 0.00 0.00 0.00 53.44 52.16 3chg n ALA 177 Cb 0.53 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 3chg n ALA 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3chg s TRP 178 N 1.75 3.68 0.12 0.00 0.51 -1.26 -4.88 118.94 118.86 3chg s TRP 178 Ca 0.28 0.91 -0.20 0.00 -2.12 0.00 0.00 56.10 54.97 3chg s TRP 178 Cb 0.13 -2.23 -0.05 0.00 -0.81 0.00 0.00 33.47 30.52 3chg s TRP 178 CO 0.00 0.62 1.73 -0.44 -0.51 0.00 0.00 176.95 178.35 3chg h ASP 179 N 4.47 -0.02 -0.91 2.95 5.19 -1.96 1.50 116.42 127.63 3chg h ASP 179 Ca -0.51 0.03 0.24 0.00 -0.62 0.00 0.00 57.03 56.17 3chg h ASP 179 Cb 1.21 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.72 3chg h ASP 179 CO 0.62 0.02 0.63 0.77 -3.12 0.00 0.00 179.24 178.16 3chg h SER 180 N 0.09 0.22 -0.01 6.45 4.64 -1.95 1.29 113.55 124.28 3chg h SER 180 Ca 0.08 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3chg h SER 180 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3chg h SER 180 CO -0.12 0.08 -0.52 -0.62 -0.87 0.00 0.00 176.83 174.77 3chg n GLU 181 N -4.41 1.32 0.10 4.77 4.71 -0.18 -2.49 120.64 124.46 3chg n GLU 181 Ca 0.20 -0.69 0.07 0.00 -0.01 0.00 0.00 57.16 56.73 3chg n GLU 181 Cb 0.84 -1.38 -0.00 0.00 -1.01 0.00 0.00 31.44 29.89 3chg n GLU 181 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3chg h ILE 182 N 1.61 0.24 0.16 -3.67 2.04 0.47 -3.31 117.51 115.04 3chg h ILE 182 Ca 0.00 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 3chg h ILE 182 Cb 0.60 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3chg h ILE 182 CO 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 178.15 178.21 3chg h ALA 183 N 1.77 -0.38 -0.99 1.87 0.00 0.14 -3.33 119.26 118.34 3chg h ALA 183 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3chg h ALA 183 Cb 1.22 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3chg h ALA 183 CO 0.02 -0.37 0.64 0.66 0.00 0.00 0.00 179.25 180.21 3chg h SER 184 N -0.52 1.05 0.19 0.00 4.64 -1.67 -2.58 113.55 114.66 3chg h SER 184 Ca -0.02 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 3chg h SER 184 Cb 0.16 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3chg h SER 184 CO 0.04 0.69 -0.72 0.74 -0.87 0.00 0.00 176.83 176.70 3chg h THR 185 N 1.20 1.36 0.00 2.95 2.02 -1.77 -1.69 112.91 116.99 3chg h THR 185 Ca 0.41 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.50 3chg h THR 185 Cb 0.09 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3chg h THR 185 CO -0.15 0.64 0.00 0.78 0.37 0.00 0.00 175.52 177.15 3chg h ASN 186 N 0.32 0.00 0.09 4.18 4.21 -1.59 1.02 115.58 123.81 3chg h ASN 186 Ca -0.03 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 3chg h ASN 186 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 3chg h ASN 186 CO 0.13 0.00 -0.04 1.62 -1.29 0.00 0.00 177.43 177.85 3chg h VAL 187 N 0.00 1.03 -0.87 2.81 3.04 -1.13 -2.59 116.25 118.53 3chg h VAL 187 Ca 0.00 -1.41 -0.02 0.00 -1.01 0.00 0.00 66.70 64.26 3chg h VAL 187 Cb 0.52 1.80 -0.04 0.00 -2.01 0.00 0.00 31.29 31.56 3chg h VAL 187 CO 0.00 0.30 0.47 0.40 -1.01 0.00 0.00 177.57 177.72 3chg h ILE 188 N -0.88 1.25 0.00 3.17 1.08 -1.18 -2.36 117.51 118.60 3chg h ILE 188 Ca -0.01 -0.64 -0.03 0.00 -0.39 0.00 0.00 64.86 63.79 3chg h ILE 188 Cb 0.58 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3chg h ILE 188 CO 0.02 0.29 -0.15 1.23 -0.69 0.00 0.00 178.15 178.84 3chg h GLY 189 N 1.21 0.00 -4.68 5.37 0.00 0.99 -1.24 103.07 104.72 3chg h GLY 189 Ca 0.30 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.93 3chg h GLY 189 CO -0.05 0.00 0.54 1.17 0.00 0.00 0.00 176.54 178.20 3chg n LYS 190 N -3.79 2.94 0.00 4.80 3.00 -0.90 -3.22 118.16 120.99 3chg n LYS 190 Ca -0.02 -3.74 0.00 0.00 -0.00 0.00 0.00 58.31 54.55 3chg n LYS 190 Cb 0.26 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.02 3chg n LYS 190 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3chg n VAL 191 N -0.59 0.00 0.04 3.15 0.31 -0.55 -4.76 118.33 115.93 3chg n VAL 191 Ca 0.51 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.70 3chg n VAL 191 Cb 0.43 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.22 3chg n VAL 191 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3chg h LEU 192 N 0.00 0.28 -2.04 7.52 3.38 -1.49 -3.34 115.31 119.62 3chg h LEU 192 Ca 0.00 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3chg h LEU 192 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3chg h LEU 192 CO 0.00 1.36 0.00 -0.08 0.09 0.00 0.00 178.44 179.81 3chg h GLU 193 N 0.05 0.00 0.00 1.13 4.81 -1.71 -1.80 114.58 117.06 3chg h GLU 193 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3chg h GLU 193 Cb 1.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.37 3chg h GLU 193 CO 0.14 0.00 -0.78 -0.25 -0.73 0.00 0.00 179.01 177.38 3chg n ASP 194 N -2.97 0.63 -0.77 1.04 9.92 -1.25 -4.22 116.55 118.92 3chg n ASP 194 Ca -0.01 -0.10 0.07 0.00 -0.53 0.00 0.00 54.79 54.22 3chg n ASP 194 Cb 0.19 0.46 0.19 0.00 -0.64 0.00 0.00 41.12 41.31 3chg n ASP 194 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3chg n LEU 195 N -1.94 3.20 0.00 0.64 4.77 -0.70 -4.99 117.00 117.99 3chg n LEU 195 Ca 0.03 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 3chg n LEU 195 Cb 0.42 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3chg n LEU 195 CO 0.38 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3chg n GLY 196 N 0.55 3.40 3.51 -0.72 0.00 -1.15 -0.02 105.19 110.76 3chg n GLY 196 Ca 0.14 -0.93 -0.48 0.00 0.00 0.00 0.00 46.02 44.75 3chg n GLY 196 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3chg n TYR 197 N 0.00 0.54 -3.00 1.61 4.02 -1.05 -4.43 117.16 114.86 3chg n TYR 197 Ca 0.00 0.83 -0.44 0.00 -0.01 0.00 0.00 57.90 58.29 3chg n TYR 197 Cb 0.00 -2.13 -0.05 0.00 -0.02 0.00 0.00 39.34 37.14 3chg n TYR 197 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3chg s GLU 198 N -0.94 3.14 0.19 -0.72 2.12 -0.98 -4.19 118.70 117.31 3chg s GLU 198 Ca 0.67 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 3chg s GLU 198 Cb -0.87 -4.17 -0.08 0.00 0.26 0.00 0.00 34.13 29.27 3chg s GLU 198 CO 0.56 -1.53 1.11 0.08 -0.54 0.00 0.00 175.26 174.94 3chg s VAL 199 N 3.32 3.80 -0.03 3.70 1.01 -1.26 -4.22 120.40 126.72 3chg s VAL 199 Ca 0.19 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.80 3chg s VAL 199 Cb -0.19 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3chg s VAL 199 CO 0.11 0.28 -0.24 0.42 0.00 0.00 0.00 175.10 175.67 3chg s THR 200 N -0.29 2.23 -0.33 3.92 -4.23 -1.26 -5.07 115.64 110.61 3chg s THR 200 Ca 0.49 -1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.92 3chg s THR 200 Cb -0.30 -1.79 0.04 0.00 1.34 0.00 0.00 72.50 71.79 3chg s THR 200 CO 0.36 0.58 0.08 -0.76 -0.54 0.00 0.00 174.62 174.34 3chg s LEU 201 N -0.55 4.23 -0.30 4.79 1.43 -1.26 -2.18 118.68 124.84 3chg s LEU 201 Ca 0.08 -1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 51.83 3chg s LEU 201 Cb -0.11 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3chg s LEU 201 CO 0.00 -0.32 0.36 -0.89 0.23 0.00 0.00 176.35 175.74 3chg s THR 202 N 1.36 5.17 -0.41 5.49 2.01 -0.12 -5.03 115.64 124.11 3chg s THR 202 Ca -0.02 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 3chg s THR 202 Cb -0.20 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.59 3chg s THR 202 CO 0.02 0.05 0.89 -1.58 -0.69 0.00 0.00 174.62 173.31 3chg s GLN 203 N 2.05 3.68 0.16 4.92 0.74 -1.26 -2.29 119.66 127.65 3chg s GLN 203 Ca 0.13 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.87 3chg s GLN 203 Cb -0.16 -3.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 3chg s GLN 203 CO 0.11 -1.04 0.05 0.14 -0.55 0.00 0.00 175.29 173.99 3chg s VAL 204 N 3.50 0.30 0.35 1.34 -7.23 -0.94 -5.02 120.40 112.70 3chg s VAL 204 Ca 0.36 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 3chg s VAL 204 Cb -0.11 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3chg s VAL 204 CO 0.21 -0.41 0.59 -1.61 -0.31 0.00 0.00 175.10 173.58 3chg s GLU 205 N -4.01 3.56 -0.04 4.82 2.02 -1.26 -3.89 118.70 119.89 3chg s GLU 205 Ca 0.26 -0.09 -0.33 0.00 0.02 0.00 0.00 54.97 54.83 3chg s GLU 205 Cb 0.07 -2.60 -0.11 0.00 0.10 0.00 0.00 34.13 31.59 3chg s GLU 205 CO 0.04 0.11 1.90 0.00 0.02 0.00 0.00 175.26 177.34 3chg n ALA 206 N -1.50 1.16 0.00 5.21 0.00 -1.26 0.25 120.51 124.37 3chg n ALA 206 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3chg n ALA 206 Cb 0.55 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3chg n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3chg n GLY 207 N 4.43 1.90 0.60 0.00 0.00 -1.26 -4.72 105.19 106.14 3chg n GLY 207 Ca 0.22 -0.72 0.46 0.00 0.00 0.00 0.00 46.02 45.97 3chg n GLY 207 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3chg n PRO 208 N 0.00 -0.01 -0.05 1.61 -0.02 -1.06 0.88 135.00 136.36 3chg n PRO 208 Ca 0.00 0.99 -0.13 0.00 -2.02 0.00 0.00 63.50 62.34 3chg n PRO 208 Cb 0.00 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 3chg n PRO 208 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3chg h MET 209 N 0.00 0.36 -0.05 -0.52 1.85 -0.48 0.16 114.93 116.24 3chg h MET 209 Ca 0.83 -0.20 -0.10 0.00 -0.61 0.00 0.00 59.70 59.62 3chg h MET 209 Cb 3.24 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 35.27 3chg h MET 209 CO -0.08 0.77 -0.42 -1.49 -0.40 0.00 0.00 176.91 175.29 3chg h TRP 210 N -0.03 0.12 0.09 1.39 4.06 0.25 -3.21 115.95 118.63 3chg h TRP 210 Ca 0.02 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 3chg h TRP 210 Cb 0.72 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 3chg h TRP 210 CO 0.09 0.51 -0.04 1.15 -3.56 0.00 0.00 178.44 176.59 3chg h THR 211 N 0.09 0.00 -0.77 1.49 2.02 -0.06 -2.47 112.91 113.22 3chg h THR 211 Ca 0.01 -0.05 0.23 0.00 0.77 0.00 0.00 66.41 67.37 3chg h THR 211 Cb 0.78 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.05 3chg h THR 211 CO 0.06 0.00 0.07 0.00 0.37 0.00 0.00 175.52 176.02 3chg n ALA 212 N -2.10 0.44 0.09 6.16 0.00 0.04 -0.12 120.51 125.02 3chg n ALA 212 Ca -0.02 0.82 -0.18 0.00 0.00 0.00 0.00 53.44 54.06 3chg n ALA 212 Cb 0.05 -0.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 3chg n ALA 212 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3chg h ILE 213 N 0.00 1.38 0.00 0.00 -0.00 -1.65 0.51 117.51 117.75 3chg h ILE 213 Ca 0.49 -2.61 0.00 0.00 -0.00 0.00 0.00 64.86 62.74 3chg h ILE 213 Cb 1.06 2.66 0.00 0.00 -0.00 0.00 0.00 36.82 40.54 3chg h ILE 213 CO -0.70 0.78 0.00 0.00 -0.00 0.00 0.00 178.15 178.23 3chg h ALA 214 N 0.52 1.00 -0.11 0.16 0.00 -0.02 0.06 119.26 120.86 3chg h ALA 214 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3chg h ALA 214 Cb 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3chg h ALA 214 CO 0.20 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3chg n THR 215 N -2.51 0.29 -1.80 0.00 -2.24 -0.54 -4.90 114.28 102.58 3chg n THR 215 Ca 0.02 -0.65 -0.17 0.00 -2.27 0.00 0.00 64.05 60.98 3chg n THR 215 Cb 0.26 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 3chg n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3chg n GLY 216 N 0.61 0.97 0.19 3.38 0.00 0.29 -4.85 105.19 105.78 3chg n GLY 216 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3chg n GLY 216 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3chg h SER 217 N 0.00 0.36 -1.75 1.61 4.64 -0.38 -3.43 113.55 114.59 3chg h SER 217 Ca -0.37 -0.18 -0.47 0.00 -0.47 0.00 0.00 61.79 60.30 3chg h SER 217 Cb 1.19 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3chg h SER 217 CO 0.50 0.80 -0.39 0.00 -0.87 0.00 0.00 176.83 176.88 3chg s ALA 218 N -3.99 4.07 -0.15 5.18 0.00 -1.07 -5.00 121.76 120.80 3chg s ALA 218 Ca -0.05 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 3chg s ALA 218 Cb 0.12 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.80 3chg s ALA 218 CO 0.80 -0.06 -0.17 -0.25 0.00 0.00 0.00 175.76 176.08 3chg n ASP 219 N -1.53 1.64 -4.05 0.00 9.92 -0.87 -4.52 116.55 117.14 3chg n ASP 219 Ca 0.00 0.10 -0.07 0.00 -0.53 0.00 0.00 54.79 54.29 3chg n ASP 219 Cb 0.59 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.61 3chg n ASP 219 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3chg s ALA 220 N -2.28 0.40 0.03 2.24 0.00 -1.04 -1.39 121.76 119.72 3chg s ALA 220 Ca -0.20 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.36 3chg s ALA 220 Cb 0.07 0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.58 3chg s ALA 220 CO 0.28 -0.39 0.67 0.45 0.00 0.00 0.00 175.76 176.77 3chg s SER 221 N -2.91 -0.61 -0.15 0.00 0.15 0.64 -1.02 113.70 109.81 3chg s SER 221 Ca 0.07 0.41 0.17 0.00 0.70 0.00 0.00 55.95 57.31 3chg s SER 221 Cb 0.07 0.55 0.44 0.00 -1.71 0.00 0.00 66.02 65.37 3chg s SER 221 CO -0.10 -0.74 1.18 0.18 1.20 0.00 0.00 173.24 174.97 3chg n LEU 222 N 0.38 2.22 -1.42 3.45 4.32 -1.26 -0.18 117.00 124.52 3chg n LEU 222 Ca -0.18 -3.21 0.11 0.00 -0.02 0.00 0.00 56.01 52.71 3chg n LEU 222 Cb 0.60 -0.19 0.33 0.00 -1.62 0.00 0.00 43.42 42.54 3chg n LEU 222 CO 0.19 1.12 0.79 -1.20 -1.22 0.00 0.00 177.39 177.06 3chg n SER 223 N -0.41 4.25 -4.69 -1.43 7.64 -1.26 -4.70 113.62 113.02 3chg n SER 223 Ca 0.16 -2.19 -0.40 0.00 1.01 0.00 0.00 58.87 57.44 3chg n SER 223 Cb 0.91 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 3chg n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3chg s ALA 224 N -1.36 3.41 -0.18 -0.43 0.00 -1.21 -4.94 121.76 117.05 3chg s ALA 224 Ca 0.49 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 3chg s ALA 224 Cb 0.28 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.37 3chg s ALA 224 CO 0.29 -0.33 -0.15 -1.58 0.00 0.00 0.00 175.76 174.00 3chg s TRP 225 N 1.35 2.82 0.15 0.00 0.52 -1.26 0.63 118.94 123.15 3chg s TRP 225 Ca 0.37 -1.25 -0.05 0.00 0.02 0.00 0.00 56.10 55.19 3chg s TRP 225 Cb -0.17 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 3chg s TRP 225 CO 0.16 -0.62 0.18 -0.51 0.02 0.00 0.00 176.95 176.17 3chg s LEU 226 N 1.14 1.32 0.05 2.99 1.43 -0.36 -2.80 118.68 122.45 3chg s LEU 226 Ca 0.01 -1.06 -0.00 0.00 -1.03 0.00 0.00 54.13 52.05 3chg s LEU 226 Cb -0.14 0.75 -0.26 0.00 0.03 0.00 0.00 46.19 46.57 3chg s LEU 226 CO -0.06 -0.82 1.02 -0.65 0.23 0.00 0.00 176.35 176.07 3chg h PRO 227 N 2.69 0.19 -0.08 1.29 0.11 -1.87 -0.26 132.00 134.05 3chg h PRO 227 Ca -0.33 -0.32 -0.04 0.00 0.11 0.00 0.00 66.00 65.42 3chg h PRO 227 Cb 1.22 0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 3chg h PRO 227 CO 0.53 1.08 -0.09 -0.97 -0.21 0.00 0.00 178.00 178.33 3chg h ASN 228 N 0.05 0.23 0.68 -2.05 -0.00 -1.91 -1.65 115.58 110.93 3chg h ASN 228 Ca -0.16 -0.50 0.00 0.00 -0.00 0.00 0.00 56.30 55.64 3chg h ASN 228 Cb 1.95 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 40.21 3chg h ASN 228 CO 0.16 0.68 0.00 1.07 -0.00 0.00 0.00 177.43 179.34 3chg n THR 229 N -4.67 0.77 -1.68 -3.57 5.66 -1.26 -1.77 114.28 107.77 3chg n THR 229 Ca -0.07 0.17 0.06 0.00 -3.05 0.00 0.00 64.05 61.16 3chg n THR 229 Cb 0.32 -0.92 0.10 0.00 -1.55 0.00 0.00 70.33 68.29 3chg n THR 229 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3chg n HIS 230 N -1.68 0.00 -0.32 1.09 8.25 -1.12 -4.20 115.22 117.24 3chg n HIS 230 Ca 0.04 -0.81 0.12 0.00 -0.26 0.00 0.00 57.72 56.81 3chg n HIS 230 Cb 0.22 -0.15 0.25 0.00 1.12 0.00 0.00 29.99 31.43 3chg n HIS 230 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3chg h LYS 231 N 0.44 0.04 -0.27 -0.41 3.64 -0.46 0.16 116.57 119.71 3chg h LYS 231 Ca -0.04 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 3chg h LYS 231 Cb 1.25 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3chg h LYS 231 CO 0.02 0.03 -0.35 0.00 -2.27 0.00 0.00 179.45 176.88 3chg h ALA 232 N 1.92 0.41 -0.13 5.00 0.00 -1.87 -2.28 119.26 122.29 3chg h ALA 232 Ca 0.55 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3chg h ALA 232 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3chg h ALA 232 CO -0.86 0.47 -0.48 1.88 0.00 0.00 0.00 179.25 180.26 3chg h TYR 233 N 0.45 0.42 -0.18 0.00 0.05 -1.40 -2.13 116.97 114.18 3chg h TYR 233 Ca 0.03 -0.13 -0.16 0.00 0.05 0.00 0.00 58.73 58.52 3chg h TYR 233 Cb 0.93 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 3chg h TYR 233 CO 0.08 0.76 -0.57 0.00 -1.05 0.00 0.00 178.16 177.38 3chg h ALA 234 N 1.22 0.68 -0.14 3.88 0.00 -0.81 -3.17 119.26 120.92 3chg h ALA 234 Ca 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3chg h ALA 234 Cb 0.95 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3chg h ALA 234 CO 0.08 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.97 3chg h ALA 235 N 0.96 0.19 -0.90 0.00 0.00 -1.16 -3.03 119.26 115.31 3chg h ALA 235 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.77 3chg h ALA 235 Cb 1.12 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3chg h ALA 235 CO 0.11 -0.02 0.53 -0.22 0.00 0.00 0.00 179.25 179.64 3chg h LYS 236 N -0.05 0.81 -2.68 0.00 3.64 -1.49 -2.58 116.57 114.21 3chg h LYS 236 Ca 0.03 -0.05 -0.77 0.00 -1.27 0.00 0.00 60.65 58.59 3chg h LYS 236 Cb 0.52 -0.18 -0.31 0.00 -0.41 0.00 0.00 32.23 31.85 3chg h LYS 236 CO 0.02 0.53 0.55 0.66 -2.27 0.00 0.00 179.45 178.95 3chg n TYR 237 N -4.72 2.59 0.00 1.91 4.01 -1.16 -4.93 117.16 114.86 3chg n TYR 237 Ca 0.16 -2.87 0.00 0.00 -0.16 0.00 0.00 57.90 55.04 3chg n TYR 237 Cb 0.34 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 3chg n TYR 237 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3chg n LYS 238 N 0.99 0.00 -2.97 -0.72 3.00 -0.97 -4.15 118.16 113.33 3chg n LYS 238 Ca 0.30 0.45 -0.26 0.00 -0.00 0.00 0.00 58.31 58.80 3chg n LYS 238 Cb 0.34 -1.30 -0.04 0.00 0.00 0.00 0.00 35.03 34.02 3chg n LYS 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3chg n GLY 239 N -0.86 5.42 1.10 3.14 0.00 -1.26 -4.69 105.19 108.04 3chg n GLY 239 Ca 0.00 -2.69 0.02 0.00 0.00 0.00 0.00 46.02 43.35 3chg n GLY 239 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3chg n LYS 240 N -0.18 0.00 -3.79 1.61 2.85 -1.26 -5.08 118.16 112.31 3chg n LYS 240 Ca 0.30 -1.54 -0.09 0.00 -1.05 0.00 0.00 58.31 55.93 3chg n LYS 240 Cb 0.41 -0.14 -0.07 0.00 -0.65 0.00 0.00 35.03 34.59 3chg n LYS 240 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3chg s TYR 241 N 0.00 0.03 -0.38 5.58 -0.85 -1.26 -4.26 117.35 116.21 3chg s TYR 241 Ca 0.19 -0.41 -0.03 0.00 -0.52 0.00 0.00 57.07 56.31 3chg s TYR 241 Cb 0.22 0.04 0.09 0.00 0.38 0.00 0.00 41.96 42.69 3chg s TYR 241 CO -0.10 -0.58 0.16 -0.51 -1.52 0.00 0.00 175.55 173.00 3chg s ASP 242 N -2.77 5.20 -0.77 -0.18 -0.00 0.17 -4.89 116.67 113.43 3chg s ASP 242 Ca 0.03 -1.82 -0.21 0.00 -0.00 0.00 0.00 52.55 50.55 3chg s ASP 242 Cb 0.03 -1.81 0.09 0.00 -0.00 0.00 0.00 42.92 41.23 3chg s ASP 242 CO -0.11 -0.48 1.06 -0.62 -0.00 0.00 0.00 175.17 175.02 3chg s ASP 243 N 1.70 6.34 -0.19 0.27 -1.08 -1.26 -0.59 116.67 121.86 3chg s ASP 243 Ca 0.05 -1.35 0.10 0.00 -0.52 0.00 0.00 52.55 50.84 3chg s ASP 243 Cb -0.22 -2.43 -0.19 0.00 -1.46 0.00 0.00 42.92 38.63 3chg s ASP 243 CO -0.03 -1.34 -0.03 2.30 0.52 0.00 0.00 175.17 176.60 3chg n ILE 244 N 5.86 1.19 -4.11 4.11 -0.00 -0.74 -5.02 119.36 120.65 3chg n ILE 244 Ca 0.08 -0.64 -0.15 0.00 -0.00 0.00 0.00 62.75 62.04 3chg n ILE 244 Cb 0.47 -0.80 -0.11 0.00 -0.00 0.00 0.00 39.64 39.20 3chg n ILE 244 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3chg s GLY 245 N -5.44 0.66 -0.30 3.28 0.00 -1.19 -4.85 107.32 99.48 3chg s GLY 245 Ca -0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 3chg s GLY 245 CO 0.63 -0.95 0.00 -1.59 0.00 0.00 0.00 173.10 171.19 3chg s THR 246 N -1.54 3.06 0.10 0.90 2.01 -1.26 0.70 115.64 119.60 3chg s THR 246 Ca -0.05 -1.32 -0.10 0.00 0.31 0.00 0.00 61.69 60.53 3chg s THR 246 Cb -0.09 -2.73 -0.21 0.00 0.01 0.00 0.00 72.50 69.48 3chg s THR 246 CO 0.01 -0.08 1.24 0.28 -0.69 0.00 0.00 174.62 175.37 3chg h SER 247 N 8.02 0.76 -3.81 3.53 0.02 -1.60 -3.43 113.55 117.04 3chg h SER 247 Ca -0.22 -0.61 -0.13 0.00 -0.84 0.00 0.00 61.79 59.99 3chg h SER 247 Cb 1.07 -0.23 -0.25 0.00 0.14 0.00 0.00 62.40 63.13 3chg h SER 247 CO 0.54 1.41 -0.28 -0.32 -1.14 0.00 0.00 176.83 177.05 3chg s MET 248 N -3.29 0.44 0.25 3.45 1.75 -1.25 -1.54 119.30 119.10 3chg s MET 248 Ca -0.08 0.55 0.07 0.00 -1.25 0.00 0.00 55.69 54.99 3chg s MET 248 Cb 0.08 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.90 3chg s MET 248 CO 0.90 -0.06 0.16 0.95 -0.65 0.00 0.00 175.02 176.31 3chg s THR 249 N 0.32 4.27 -1.25 10.11 -4.23 -1.26 -1.35 115.64 122.25 3chg s THR 249 Ca -0.01 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 3chg s THR 249 Cb -0.03 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 3chg s THR 249 CO -0.01 -0.35 0.77 0.61 -0.54 0.00 0.00 174.62 175.10 3chg n GLY 250 N -1.09 -0.45 3.73 3.99 0.00 -0.68 -4.95 105.19 105.73 3chg n GLY 250 Ca -0.08 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3chg n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3chg s VAL 251 N -3.59 5.29 0.31 1.61 -7.23 -0.31 -4.89 120.40 111.59 3chg s VAL 251 Ca 0.09 0.61 -0.06 0.00 -1.81 0.00 0.00 61.98 60.81 3chg s VAL 251 Cb -0.02 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 3chg s VAL 251 CO 0.80 0.38 0.58 -0.54 -0.31 0.00 0.00 175.10 176.01 3chg s LYS 252 N 0.49 3.65 -0.17 4.82 1.02 -1.26 -3.87 119.74 124.42 3chg s LYS 252 Ca 0.18 0.07 -0.18 0.00 0.02 0.00 0.00 55.97 56.06 3chg s LYS 252 Cb -0.13 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.62 3chg s LYS 252 CO 0.05 0.18 0.50 0.00 -0.92 0.00 0.00 175.35 175.15 3chg s MET 253 N -3.60 0.62 0.00 1.68 0.23 -1.26 -1.15 119.30 115.83 3chg s MET 253 Ca 0.45 0.61 0.00 0.00 -1.03 0.00 0.00 55.69 55.72 3chg s MET 253 Cb -0.11 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 3chg s MET 253 CO 0.30 -0.09 0.00 0.41 -2.03 0.00 0.00 175.02 173.61 3chg n GLY 254 N 2.58 -0.63 3.60 3.16 0.00 -0.10 -4.89 105.19 108.91 3chg n GLY 254 Ca -0.14 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3chg n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3chg s LEU 255 N 0.00 4.06 -0.12 0.99 1.43 -1.26 -0.57 118.68 123.20 3chg s LEU 255 Ca 0.00 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3chg s LEU 255 Cb 0.00 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3chg s LEU 255 CO 0.00 -0.14 -0.11 -0.69 0.23 0.00 0.00 176.35 175.64 3chg s VAL 256 N 1.95 3.27 0.11 -1.59 1.01 -0.49 -3.02 120.40 121.64 3chg s VAL 256 Ca 0.12 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3chg s VAL 256 Cb -0.16 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3chg s VAL 256 CO 0.10 0.53 -0.18 0.68 0.00 0.00 0.00 175.10 176.23 3chg s VAL 257 N 0.19 1.58 0.65 2.92 -7.23 -0.35 -1.67 120.40 116.48 3chg s VAL 257 Ca -0.06 -1.60 -0.17 0.00 -1.81 0.00 0.00 61.98 58.34 3chg s VAL 257 Cb -0.15 -1.52 -0.07 0.00 0.56 0.00 0.00 36.38 35.20 3chg s VAL 257 CO 0.04 -0.19 0.45 -0.81 -0.31 0.00 0.00 175.10 174.28 3chg n PRO 258 N 0.89 0.37 0.12 4.82 -0.04 -1.26 -1.49 135.00 138.41 3chg n PRO 258 Ca -0.18 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 3chg n PRO 258 Cb 0.55 -1.70 0.16 0.00 -0.04 0.00 0.00 33.50 32.47 3chg n PRO 258 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3chg h GLN 259 N -0.09 0.07 0.00 0.54 4.15 -1.35 -3.12 115.11 115.32 3chg h GLN 259 Ca -0.45 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3chg h GLN 259 Cb 1.38 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3chg h GLN 259 CO 0.44 0.66 0.00 0.10 -1.93 0.00 0.00 178.83 178.10 3chg h TYR 260 N 0.05 0.00 0.00 3.99 -0.00 -1.92 -3.21 116.97 115.88 3chg h TYR 260 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 58.73 58.26 3chg h TYR 260 Cb 1.09 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.83 3chg h TYR 260 CO 0.01 0.00 2.55 -1.33 -0.00 0.00 0.00 178.16 179.38 3chg n MET 261 N -2.36 2.71 0.00 0.10 2.81 -1.18 -4.72 117.12 114.48 3chg n MET 261 Ca 0.00 -1.65 0.00 0.00 -1.81 0.00 0.00 57.70 54.25 3chg n MET 261 Cb 0.14 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 3chg n MET 261 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3chg n LYS 262 N 3.57 0.37 0.00 0.03 2.85 -1.22 -1.51 118.16 122.25 3chg n LYS 262 Ca 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.84 3chg n LYS 262 Cb 0.31 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 3chg n LYS 262 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3chg n ASN 263 N 0.37 1.90 -4.30 -5.58 4.13 -1.26 -4.98 115.26 105.54 3chg n ASN 263 Ca 0.00 -0.30 -0.36 0.00 1.68 0.00 0.00 54.58 55.60 3chg n ASN 263 Cb 0.10 0.98 -0.13 0.00 -1.54 0.00 0.00 39.78 39.19 3chg n ASN 263 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3chg s VAL 264 N -1.36 3.55 0.00 2.41 1.01 -0.57 -4.92 120.40 120.52 3chg s VAL 264 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3chg s VAL 264 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3chg s VAL 264 CO 0.00 0.17 0.00 0.59 0.00 0.00 0.00 175.10 175.86 3chg n ASN 265 N 4.80 0.48 -4.91 3.32 3.02 -1.26 -4.99 115.26 115.72 3chg n ASN 265 Ca -0.16 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.12 3chg n ASN 265 Cb 0.48 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 3chg n ASN 265 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3chg s SER 266 N -2.97 6.35 0.21 6.41 0.15 -1.26 0.49 113.70 123.08 3chg s SER 266 Ca 0.00 0.84 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 3chg s SER 266 Cb 0.00 -2.20 0.29 0.00 -1.71 0.00 0.00 66.02 62.40 3chg s SER 266 CO 0.00 -0.42 1.77 0.40 1.20 0.00 0.00 173.24 176.19 3chg h ILE 267 N 0.71 0.84 -1.04 6.45 2.04 -1.64 -3.03 117.51 121.83 3chg h ILE 267 Ca -0.48 -0.18 0.28 0.00 1.00 0.00 0.00 64.86 65.49 3chg h ILE 267 Cb 1.20 0.27 -0.12 0.00 -0.74 0.00 0.00 36.82 37.43 3chg h ILE 267 CO 0.63 0.10 0.64 -0.33 0.00 0.00 0.00 178.15 179.18 3chg h GLU 268 N 0.52 0.42 0.00 2.37 5.08 -1.92 -1.86 114.58 119.19 3chg h GLU 268 Ca 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3chg h GLU 268 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3chg h GLU 268 CO -0.27 0.28 0.16 -0.25 -1.00 0.00 0.00 179.01 177.93 3chg n ASP 269 N -4.80 0.45 -0.07 1.42 10.43 -1.14 -0.44 116.55 122.39 3chg n ASP 269 Ca 0.28 0.66 -0.01 0.00 2.57 0.00 0.00 54.79 58.29 3chg n ASP 269 Cb 0.89 -0.66 0.26 0.00 1.84 0.00 0.00 41.12 43.45 3chg n ASP 269 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3chg h LEU 270 N 0.00 0.63 -5.27 0.64 4.07 -1.55 -2.70 115.31 111.13 3chg h LEU 270 Ca 0.00 -0.10 -0.67 0.00 0.08 0.00 0.00 57.88 57.20 3chg h LEU 270 Cb 0.32 -0.16 -0.17 0.00 1.08 0.00 0.00 40.66 41.72 3chg h LEU 270 CO 0.00 0.62 1.41 0.29 -1.08 0.00 0.00 178.44 179.69 3chg n LYS 271 N -4.31 3.77 0.00 1.13 4.76 0.41 -5.14 118.16 118.79 3chg n LYS 271 Ca 0.03 -3.22 0.00 0.00 -2.87 0.00 0.00 58.31 52.25 3chg n LYS 271 Cb 0.20 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 30.99 3chg n LYS 271 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66