#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kux s ASN -1 N 0.00 6.48 -0.12 6.43 -0.87 -1.26 -4.98 114.94 120.62 3kux s ASN -1 Ca 0.00 0.57 -0.01 0.00 -1.57 0.00 0.00 52.86 51.85 3kux s ASN -1 Cb 0.00 -2.22 0.06 0.00 -0.02 0.00 0.00 41.25 39.07 3kux s ASN -1 CO 0.00 0.01 2.09 0.00 -2.57 0.00 0.00 177.10 176.64 3kux n ALA 0 N 3.93 4.53 0.00 0.60 0.00 -1.26 0.85 120.51 129.16 3kux n ALA 0 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3kux n ALA 0 Cb 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3kux n ALA 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kux n ALA 2 N 1.14 0.00 -2.80 0.00 0.00 -1.26 -3.80 120.51 113.79 3kux n ALA 2 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3kux n ALA 2 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 3kux n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kux s ASP 3 N -0.41 1.09 -0.00 0.00 2.15 0.25 -5.16 116.67 114.59 3kux s ASP 3 Ca 0.00 -0.52 0.04 0.00 0.43 0.00 0.00 52.55 52.50 3kux s ASP 3 Cb 0.00 -0.01 -0.01 0.00 -0.30 0.00 0.00 42.92 42.60 3kux s ASP 3 CO 0.00 -0.13 -0.12 -0.54 -0.17 0.00 0.00 175.17 174.21 3kux s LYS 4 N -1.45 0.94 -0.35 4.34 1.02 -1.26 -4.45 119.74 118.53 3kux s LYS 4 Ca -0.06 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 3kux s LYS 4 Cb -0.09 -0.91 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 3kux s LYS 4 CO 0.01 0.24 0.24 0.42 -0.92 0.00 0.00 175.35 175.34 3kux s ILE 5 N -0.39 5.19 0.08 2.17 1.01 0.15 -4.96 121.20 124.45 3kux s ILE 5 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 3kux s ILE 5 Cb -0.05 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3kux s ILE 5 CO -0.00 -0.04 1.01 -0.54 0.00 0.00 0.00 174.94 175.37 3kux s LYS 6 N 1.70 4.61 0.02 2.79 1.02 -1.26 -1.33 119.74 127.29 3kux s LYS 6 Ca 0.06 1.51 0.07 0.00 0.02 0.00 0.00 55.97 57.63 3kux s LYS 6 Cb -0.18 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3kux s LYS 6 CO 0.10 0.05 -0.21 0.08 -0.92 0.00 0.00 175.35 174.45 3kux s VAL 7 N 0.44 2.54 -0.22 3.17 1.01 0.10 -0.79 120.40 126.65 3kux s VAL 7 Ca 0.50 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3kux s VAL 7 Cb -0.24 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3kux s VAL 7 CO 0.30 0.41 -0.10 -0.83 0.00 0.00 0.00 175.10 174.88 3kux s GLY 8 N -1.19 1.55 -0.06 4.51 0.00 0.19 -0.76 107.32 111.56 3kux s GLY 8 Ca 0.13 -1.29 -0.10 0.00 0.00 0.00 0.00 44.72 43.46 3kux s GLY 8 CO 0.03 0.41 0.26 -2.27 0.00 0.00 0.00 173.10 171.54 3kux s LEU 9 N 1.37 4.42 -0.43 0.66 2.96 -0.36 -1.40 118.68 125.90 3kux s LEU 9 Ca 0.04 0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 54.52 3kux s LEU 9 Cb -0.15 -2.34 0.07 0.00 0.50 0.00 0.00 46.19 44.27 3kux s LEU 9 CO -0.07 0.36 0.29 -0.76 -1.32 0.00 0.00 176.35 174.86 3kux s LEU 10 N -1.11 5.22 0.00 -0.68 1.02 -0.99 -1.84 118.68 120.30 3kux s LEU 10 Ca 0.20 -1.35 0.00 0.00 0.02 0.00 0.00 54.13 53.00 3kux s LEU 10 Cb -0.14 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 44.01 3kux s LEU 10 CO 0.09 -0.54 0.00 0.61 0.02 0.00 0.00 176.35 176.53 3kux n GLY 11 N 5.02 -1.86 2.57 -3.19 0.00 0.14 -4.32 105.19 103.56 3kux n GLY 11 Ca -0.11 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 3kux n GLY 11 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kux n TYR 12 N -2.23 2.86 -0.89 1.61 9.36 -1.26 -4.77 117.16 121.86 3kux n TYR 12 Ca 0.00 -3.24 -0.15 0.00 3.32 0.00 0.00 57.90 57.84 3kux n TYR 12 Cb 0.00 -0.23 0.12 0.00 -0.63 0.00 0.00 39.34 38.60 3kux n TYR 12 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kux n GLY 13 N -0.31 -2.39 0.36 2.98 0.00 -1.26 -4.62 105.19 99.94 3kux n GLY 13 Ca 0.31 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.94 3kux n GLY 13 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kux h TYR 14 N -2.00 0.51 -0.07 1.61 3.20 -1.98 -1.70 116.97 116.54 3kux h TYR 14 Ca -0.21 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.55 3kux h TYR 14 Cb 0.62 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.73 3kux h TYR 14 CO 0.00 0.24 -0.44 0.00 -1.64 0.00 0.00 178.16 176.32 3kux h ALA 15 N 1.67 0.15 -0.41 1.82 0.00 -1.91 -0.90 119.26 119.69 3kux h ALA 15 Ca 0.30 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3kux h ALA 15 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3kux h ALA 15 CO -0.09 0.29 0.14 0.77 0.00 0.00 0.00 179.25 180.36 3kux h SER 16 N -0.03 0.59 -0.35 0.00 0.02 -1.79 0.21 113.55 112.19 3kux h SER 16 Ca -0.03 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 3kux h SER 16 Cb 1.09 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3kux h SER 16 CO 0.09 0.62 0.12 0.50 -1.14 0.00 0.00 176.83 177.02 3kux h LYS 17 N 0.52 0.54 0.12 3.45 1.63 -1.39 0.41 116.57 121.84 3kux h LYS 17 Ca 0.13 -0.11 -0.29 0.00 -0.85 0.00 0.00 60.65 59.54 3kux h LYS 17 Cb 0.24 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3kux h LYS 17 CO -0.01 0.55 -1.48 1.15 -3.45 0.00 0.00 179.45 176.21 3kux h THR 18 N 0.41 0.98 0.00 1.00 2.02 -1.02 -3.41 112.91 112.89 3kux h THR 18 Ca 0.11 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.90 3kux h THR 18 Cb 0.23 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3kux h THR 18 CO -0.01 0.72 -0.16 0.49 0.37 0.00 0.00 175.52 176.93 3kux n PHE 19 N -3.88 0.00 0.03 3.16 3.72 0.67 -4.64 117.46 116.52 3kux n PHE 19 Ca -0.26 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.03 3kux n PHE 19 Cb 0.92 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 39.32 3kux n PHE 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kux h HIS 20 N -0.16 -0.09 0.54 1.38 3.86 -1.45 -0.33 115.15 118.90 3kux h HIS 20 Ca 0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3kux h HIS 20 Cb 0.16 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3kux h HIS 20 CO -0.07 -0.06 -0.29 0.00 0.86 0.00 0.00 177.93 178.36 3kux h ALA 21 N 0.98 -1.17 -0.96 2.45 0.00 -1.16 -0.42 119.26 118.98 3kux h ALA 21 Ca 0.03 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.94 3kux h ALA 21 Cb 0.09 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3kux h ALA 21 CO -0.07 -1.13 0.60 -1.35 0.00 0.00 0.00 179.25 177.31 3kux h PRO 22 N -0.77 0.69 0.19 0.00 0.11 -1.75 -2.69 132.00 127.78 3kux h PRO 22 Ca -0.07 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.68 3kux h PRO 22 Cb 0.60 -0.15 0.03 0.00 0.11 0.00 0.00 31.00 31.59 3kux h PRO 22 CO 0.10 0.45 -1.36 -0.07 -0.21 0.00 0.00 178.00 176.91 3kux h LEU 23 N 0.71 0.87 -1.92 2.35 3.38 -0.99 -2.05 115.31 117.65 3kux h LEU 23 Ca 0.51 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3kux h LEU 23 Cb 0.85 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kux h LEU 23 CO -0.27 1.66 0.00 -0.38 0.09 0.00 0.00 178.44 179.54 3kux n ILE 24 N -3.75 0.27 0.00 1.22 5.41 -0.17 -2.69 119.36 119.65 3kux n ILE 24 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3kux n ILE 24 Cb 1.05 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 3kux n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kux n GLY 26 N 0.81 0.00 3.42 7.39 0.00 -0.77 -4.72 105.19 111.31 3kux n GLY 26 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3kux n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kux s THR 27 N 0.00 4.64 0.42 2.61 2.01 -1.09 -4.87 115.64 119.36 3kux s THR 27 Ca 0.00 -0.57 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 3kux s THR 27 Cb 0.00 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 3kux s THR 27 CO 0.00 -0.05 1.42 -2.84 -0.69 0.00 0.00 174.62 172.46 3kux s PRO 28 N 1.60 3.88 0.00 4.92 0.02 -1.26 -1.95 135.00 142.21 3kux s PRO 28 Ca 0.04 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3kux s PRO 28 Cb -0.18 -2.78 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3kux s PRO 28 CO 0.07 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3kux n GLY 29 N 0.57 3.26 3.64 0.52 0.00 -1.25 -4.93 105.19 106.99 3kux n GLY 29 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3kux n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kux s LEU 30 N 0.00 3.57 -0.19 0.99 1.43 -0.82 0.32 118.68 123.97 3kux s LEU 30 Ca 0.00 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3kux s LEU 30 Cb 0.00 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.43 3kux s LEU 30 CO 0.00 0.29 -0.03 -0.70 0.23 0.00 0.00 176.35 176.14 3kux s GLU 31 N -0.37 1.33 -0.93 1.70 2.12 -0.44 -4.79 118.70 117.31 3kux s GLU 31 Ca 0.07 -0.64 -0.24 0.00 0.36 0.00 0.00 54.97 54.52 3kux s GLU 31 Cb -0.12 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 3kux s GLU 31 CO 0.02 -0.53 1.95 -1.17 -0.54 0.00 0.00 175.26 175.00 3kux s LEU 32 N 1.61 3.15 0.07 2.70 2.96 -1.26 -0.00 118.68 127.90 3kux s LEU 32 Ca -0.02 -0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 52.86 3kux s LEU 32 Cb -0.17 -2.56 -0.16 0.00 0.50 0.00 0.00 46.19 43.80 3kux s LEU 32 CO -0.07 -2.81 1.65 0.00 -1.32 0.00 0.00 176.35 173.81 3kux h ALA 33 N 11.13 -0.22 -2.73 5.97 0.00 -1.28 -3.47 119.26 128.66 3kux h ALA 33 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kux h ALA 33 Cb 1.00 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 3kux h ALA 33 CO 1.21 -0.60 -0.12 0.20 0.00 0.00 0.00 179.25 179.94 3kux s GLY 34 N -2.26 -0.15 -0.03 0.00 0.00 -1.11 -4.56 107.32 99.22 3kux s GLY 34 Ca -0.14 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.38 3kux s GLY 34 CO 0.65 -0.41 -0.06 0.14 0.00 0.00 0.00 173.10 173.42 3kux s VAL 35 N -3.83 0.59 -0.13 1.40 1.01 -1.11 -1.23 120.40 117.10 3kux s VAL 35 Ca 0.05 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 3kux s VAL 35 Cb 0.02 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3kux s VAL 35 CO -0.10 0.21 0.45 -0.94 0.00 0.00 0.00 175.10 174.73 3kux s SER 36 N 0.53 6.65 0.02 3.32 1.04 -0.76 -0.60 113.70 123.89 3kux s SER 36 Ca -0.07 0.77 -0.28 0.00 0.48 0.00 0.00 55.95 56.85 3kux s SER 36 Cb -0.11 -2.27 0.08 0.00 0.10 0.00 0.00 66.02 63.82 3kux s SER 36 CO 0.00 0.01 0.74 -0.55 0.98 0.00 0.00 173.24 174.42 3kux s SER 37 N 0.62 -0.53 -0.08 7.02 0.15 0.18 0.26 113.70 121.31 3kux s SER 37 Ca 0.25 0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.96 3kux s SER 37 Cb -0.15 0.50 -0.18 0.00 -1.71 0.00 0.00 66.02 64.48 3kux s SER 37 CO 0.09 -0.70 0.79 0.28 1.20 0.00 0.00 173.24 174.90 3kux h SER 38 N 2.39 -0.08 -3.27 5.45 0.02 -1.85 -3.36 113.55 112.84 3kux h SER 38 Ca -0.27 -0.53 -0.73 0.00 -0.84 0.00 0.00 61.79 59.41 3kux h SER 38 Cb 1.22 0.02 -0.28 0.00 0.14 0.00 0.00 62.40 63.51 3kux h SER 38 CO 0.36 0.60 -0.36 -0.62 -1.14 0.00 0.00 176.83 175.67 3kux s ASP 39 N -5.75 5.82 0.34 3.07 2.15 -1.26 -4.92 116.67 116.12 3kux s ASP 39 Ca -0.14 -1.81 0.05 0.00 0.43 0.00 0.00 52.55 51.08 3kux s ASP 39 Cb -0.01 -2.06 0.61 0.00 -0.30 0.00 0.00 42.92 41.17 3kux s ASP 39 CO 0.51 -0.71 1.88 0.00 -0.17 0.00 0.00 175.17 176.68 3kux h ALA 40 N 8.55 1.37 -0.93 3.66 0.00 -1.98 -2.60 119.26 127.33 3kux h ALA 40 Ca -0.24 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.60 3kux h ALA 40 Cb 1.08 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3kux h ALA 40 CO 0.89 0.43 0.60 1.03 0.00 0.00 0.00 179.25 182.20 3kux h SER 41 N 0.49 0.78 -0.32 0.00 0.87 -1.99 0.39 113.55 113.77 3kux h SER 41 Ca 0.11 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3kux h SER 41 Cb 0.33 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3kux h SER 41 CO 0.01 0.41 0.14 0.50 -0.53 0.00 0.00 176.83 177.36 3kux h LYS 42 N 0.84 0.53 0.20 2.24 1.63 -1.89 -2.89 116.57 117.23 3kux h LYS 42 Ca 0.46 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.18 3kux h LYS 42 Cb 0.58 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3kux h LYS 42 CO -0.23 0.45 -0.10 0.28 -3.45 0.00 0.00 179.45 176.41 3kux h VAL 43 N 0.53 0.28 -0.97 2.00 2.07 -0.40 -3.36 116.25 116.41 3kux h VAL 43 Ca 0.13 -0.94 0.21 0.00 0.82 0.00 0.00 66.70 66.93 3kux h VAL 43 Cb 0.13 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 3kux h VAL 43 CO -0.01 0.08 0.62 0.45 0.02 0.00 0.00 177.57 178.73 3kux h HIS 44 N -1.03 0.72 -0.12 1.57 3.86 -0.74 0.44 115.15 119.85 3kux h HIS 44 Ca -0.03 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3kux h HIS 44 Cb 0.34 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3kux h HIS 44 CO 0.03 0.16 0.61 0.00 0.86 0.00 0.00 177.93 179.59 3kux h ALA 45 N 1.62 1.74 0.00 2.45 0.00 -1.65 -2.88 119.26 120.54 3kux h ALA 45 Ca 0.53 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 3kux h ALA 45 Cb 1.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kux h ALA 45 CO -0.26 -0.67 -1.32 -0.25 0.00 0.00 0.00 179.25 176.75 3kux n ASP 46 N -2.89 0.44 -3.44 0.00 8.00 0.14 -4.99 116.55 113.82 3kux n ASP 46 Ca 0.01 0.07 -0.26 0.00 0.71 0.00 0.00 54.79 55.32 3kux n ASP 46 Cb 0.68 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.51 3kux n ASP 46 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3kux n TRP 47 N -3.25 0.47 -4.29 1.24 7.02 -0.46 -5.05 117.44 113.12 3kux n TRP 47 Ca -0.11 -3.65 -0.35 0.00 -1.02 0.00 0.00 57.50 52.38 3kux n TRP 47 Cb 0.58 -0.14 -0.09 0.00 -2.42 0.00 0.00 31.31 29.24 3kux n TRP 47 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3kux s PRO 48 N -0.81 3.01 0.09 -0.99 0.04 -1.24 -3.15 135.00 131.95 3kux s PRO 48 Ca 0.33 -0.42 -0.35 0.00 0.04 0.00 0.00 61.00 60.60 3kux s PRO 48 Cb 0.07 -2.82 -0.18 0.00 0.04 0.00 0.00 34.50 31.61 3kux s PRO 48 CO -0.15 0.69 0.93 0.00 0.04 0.00 0.00 177.00 178.51 3kux n ALA 49 N 1.93 -2.90 -3.31 8.56 0.00 -1.26 -5.12 120.51 118.41 3kux n ALA 49 Ca -0.18 0.53 -0.28 0.00 0.00 0.00 0.00 53.44 53.51 3kux n ALA 49 Cb 0.54 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 3kux n ALA 49 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3kux n ILE 50 N 1.08 2.66 -0.40 0.00 -6.64 -1.19 -4.97 119.36 109.90 3kux n ILE 50 Ca 0.19 -5.33 -0.15 0.00 -1.77 0.00 0.00 62.75 55.69 3kux n ILE 50 Cb 0.16 -1.97 -0.02 0.00 -1.44 0.00 0.00 39.64 36.37 3kux n ILE 50 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 3kux n PRO 51 N 0.66 0.90 -2.71 6.28 -0.02 -1.26 -4.85 135.00 134.01 3kux n PRO 51 Ca 0.30 -1.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.38 3kux n PRO 51 Cb 0.40 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 3kux n PRO 51 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kux s VAL 52 N 4.54 4.08 0.15 -1.45 1.01 -1.26 -2.75 120.40 124.71 3kux s VAL 52 Ca 0.24 2.02 0.09 0.00 0.00 0.00 0.00 61.98 64.33 3kux s VAL 52 Cb 0.06 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3kux s VAL 52 CO 0.02 0.45 -0.20 0.68 0.00 0.00 0.00 175.10 176.05 3kux s VAL 53 N -0.96 1.88 -1.89 2.92 -7.23 0.23 -4.93 120.40 110.41 3kux s VAL 53 Ca 0.43 -1.81 0.27 0.00 -1.81 0.00 0.00 61.98 59.05 3kux s VAL 53 Cb -0.26 -1.80 0.31 0.00 0.56 0.00 0.00 36.38 35.18 3kux s VAL 53 CO 0.33 -0.19 1.58 -1.54 -0.31 0.00 0.00 175.10 174.97 3kux n SER 54 N 0.55 1.14 -3.67 4.85 3.41 -1.26 0.47 113.62 119.11 3kux n SER 54 Ca -0.15 -1.01 -0.17 0.00 -0.26 0.00 0.00 58.87 57.28 3kux n SER 54 Cb 0.56 0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.47 3kux n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kux s ASP 55 N -2.42 0.73 0.47 4.04 2.15 -1.26 -4.56 116.67 115.82 3kux s ASP 55 Ca 0.26 0.33 0.24 0.00 0.43 0.00 0.00 52.55 53.82 3kux s ASP 55 Cb 0.19 0.26 1.27 0.00 -0.30 0.00 0.00 42.92 44.35 3kux s ASP 55 CO 0.49 -0.24 1.85 -0.65 -0.17 0.00 0.00 175.17 176.44 3kux h PRO 56 N 8.33 0.22 -1.98 4.34 0.11 -1.93 -3.33 132.00 137.76 3kux h PRO 56 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3kux h PRO 56 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kux h PRO 56 CO 0.15 0.14 0.00 0.94 -0.21 0.00 0.00 178.00 179.02 3kux n GLN 57 N -4.42 0.17 0.00 1.05 -0.06 -1.26 -1.91 117.38 110.95 3kux n GLN 57 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.21 3kux n GLN 57 Cb 0.88 -1.42 0.00 0.00 -4.06 0.00 0.00 30.24 25.64 3kux n GLN 57 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3kux n LEU 59 N 1.77 0.00 -0.34 1.69 4.77 -1.25 -1.53 117.00 122.10 3kux n LEU 59 Ca 0.00 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.21 3kux n LEU 59 Cb 0.08 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.66 3kux n LEU 59 CO 0.00 0.00 1.19 -0.26 -1.33 0.00 0.00 177.39 176.99 3kux h PHE 60 N 0.00 0.77 0.04 -1.77 0.04 -1.73 -1.76 116.94 112.54 3kux h PHE 60 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3kux h PHE 60 Cb 0.00 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 37.93 3kux h PHE 60 CO 0.00 0.01 -0.02 -0.91 -0.60 0.00 0.00 178.31 176.79 3kux h ASN 61 N 0.41 -0.05 -0.61 2.17 -0.26 -1.56 -3.44 115.58 112.24 3kux h ASN 61 Ca 0.65 -0.44 -0.79 0.00 -0.56 0.00 0.00 56.30 55.15 3kux h ASN 61 Cb 1.56 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.82 3kux h ASN 61 CO -0.39 0.43 1.08 -0.67 -1.06 0.00 0.00 177.43 176.81 3kux n ASP 62 N -4.89 1.22 0.15 5.81 -0.08 -0.66 -4.79 116.55 113.31 3kux n ASP 62 Ca -0.08 0.86 0.13 0.00 -1.51 0.00 0.00 54.79 54.19 3kux n ASP 62 Cb 0.25 -0.96 0.38 0.00 2.34 0.00 0.00 41.12 43.14 3kux n ASP 62 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kux h PRO 63 N 7.84 0.00 0.00 -0.67 0.13 -1.86 -3.15 132.00 134.29 3kux h PRO 63 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 3kux h PRO 63 Cb 1.38 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 3kux h PRO 63 CO 1.03 0.00 -1.30 0.66 -0.23 0.00 0.00 178.00 178.17 3kux h SER 64 N 0.00 0.00 -3.35 1.44 4.64 -1.95 -3.46 113.55 110.87 3kux h SER 64 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3kux h SER 64 Cb 0.73 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.91 3kux h SER 64 CO 0.00 0.56 0.85 -0.38 -0.87 0.00 0.00 176.83 177.00 3kux n ILE 65 N -2.93 1.16 -0.07 0.95 5.41 -1.19 -4.65 119.36 118.04 3kux n ILE 65 Ca -0.08 -0.29 -0.09 0.00 1.00 0.00 0.00 62.75 63.28 3kux n ILE 65 Cb 0.82 -1.95 -0.08 0.00 -0.71 0.00 0.00 39.64 37.73 3kux n ILE 65 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kux n ASP 66 N 1.91 2.56 -4.17 4.38 8.00 0.03 -4.95 116.55 124.31 3kux n ASP 66 Ca 0.08 -0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.29 3kux n ASP 66 Cb 0.37 0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 3kux n ASP 66 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kux s LEU 67 N -5.63 2.14 -0.11 0.64 2.96 -0.78 -1.59 118.68 116.32 3kux s LEU 67 Ca -0.17 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 3kux s LEU 67 Cb 0.05 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 46.02 3kux s LEU 67 CO 0.40 0.10 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.78 3kux s ILE 68 N -0.74 1.27 -0.11 6.68 -1.09 0.32 0.53 121.20 128.06 3kux s ILE 68 Ca 0.04 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3kux s ILE 68 Cb -0.08 -1.20 -0.03 0.00 -1.58 0.00 0.00 42.46 39.57 3kux s ILE 68 CO 0.01 0.40 0.01 0.68 -1.23 0.00 0.00 174.94 174.81 3kux s VAL 69 N 1.23 4.40 -0.44 2.92 -7.23 -0.49 -1.13 120.40 119.66 3kux s VAL 69 Ca -0.03 -0.20 0.03 0.00 -1.81 0.00 0.00 61.98 59.97 3kux s VAL 69 Cb -0.14 -2.89 0.12 0.00 0.56 0.00 0.00 36.38 34.04 3kux s VAL 69 CO -0.04 0.57 0.19 -0.63 -0.31 0.00 0.00 175.10 174.88 3kux s ILE 70 N -0.52 1.98 -0.24 -0.62 1.01 0.77 -2.34 121.20 121.23 3kux s ILE 70 Ca 0.09 -2.69 0.13 0.00 0.00 0.00 0.00 60.65 58.18 3kux s ILE 70 Cb -0.12 -2.40 0.56 0.00 0.01 0.00 0.00 42.46 40.51 3kux s ILE 70 CO 0.02 -0.78 1.51 -0.81 0.00 0.00 0.00 174.94 174.89 3kux n PRO 71 N 3.65 2.72 -0.06 2.79 -0.04 -1.26 -1.47 135.00 141.33 3kux n PRO 71 Ca 0.05 -2.99 -0.01 0.00 -0.04 0.00 0.00 63.50 60.51 3kux n PRO 71 Cb 0.36 -1.91 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 3kux n PRO 71 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kux n THR 72 N -0.65 0.00 -1.73 0.52 -2.24 -1.26 -4.83 114.28 104.09 3kux n THR 72 Ca 0.29 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.65 3kux n THR 72 Cb 1.04 -1.51 0.03 0.00 -2.10 0.00 0.00 70.33 67.79 3kux n THR 72 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kux n PRO 73 N -1.37 1.86 -0.32 -0.78 -0.02 -1.26 -4.87 135.00 128.23 3kux n PRO 73 Ca 0.01 0.67 0.19 0.00 -2.02 0.00 0.00 63.50 62.35 3kux n PRO 73 Cb 0.02 -2.53 0.40 0.00 -0.02 0.00 0.00 33.50 31.38 3kux n PRO 73 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kux h ASN 74 N 1.76 0.36 1.56 2.55 4.21 -1.93 -1.39 115.58 122.69 3kux h ASN 74 Ca -0.50 0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.18 3kux h ASN 74 Cb 1.30 0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 38.66 3kux h ASN 74 CO 0.58 -0.12 -0.06 -2.24 -1.29 0.00 0.00 177.43 174.31 3kux h ASP 75 N 0.31 0.00 1.54 5.81 2.03 -1.96 -3.14 116.42 121.02 3kux h ASP 75 Ca 0.66 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.91 3kux h ASP 75 Cb 1.43 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.92 3kux h ASP 75 CO -0.61 0.06 -0.47 0.71 -1.03 0.00 0.00 179.24 177.90 3kux h THR 76 N 0.00 0.36 -0.77 1.15 1.35 -1.61 -3.39 112.91 110.01 3kux h THR 76 Ca -0.00 -1.54 0.11 0.00 -0.55 0.00 0.00 66.41 64.43 3kux h THR 76 Cb 0.86 2.08 -0.13 0.00 -1.73 0.00 0.00 68.15 69.23 3kux h THR 76 CO 0.01 0.21 -0.41 0.45 -0.25 0.00 0.00 175.52 175.52 3kux h HIS 77 N 0.00 -1.20 0.77 4.73 3.86 -1.56 -1.15 115.15 120.59 3kux h HIS 77 Ca -0.02 0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3kux h HIS 77 Cb 1.20 0.63 0.01 0.00 1.06 0.00 0.00 27.41 30.31 3kux h HIS 77 CO 0.00 -0.40 -0.37 0.35 0.86 0.00 0.00 177.93 178.37 3kux h PHE 78 N -0.11 -0.95 -0.24 2.45 3.57 -1.81 0.51 116.94 120.35 3kux h PHE 78 Ca 0.25 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3kux h PHE 78 Cb 0.56 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 3kux h PHE 78 CO -0.78 -0.58 -0.29 -1.35 -2.23 0.00 0.00 178.31 173.08 3kux h PRO 79 N -1.12 -0.18 -0.62 6.41 0.11 -1.76 0.35 132.00 135.19 3kux h PRO 79 Ca -0.11 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.13 3kux h PRO 79 Cb 0.80 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.87 3kux h PRO 79 CO 0.17 -0.12 0.16 -0.07 -0.21 0.00 0.00 178.00 177.93 3kux h LEU 80 N -0.19 0.05 -0.03 2.35 3.38 -1.19 0.47 115.31 120.16 3kux h LEU 80 Ca 0.04 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3kux h LEU 80 Cb 0.30 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3kux h LEU 80 CO -0.33 0.03 -0.17 0.00 0.09 0.00 0.00 178.44 178.07 3kux h ALA 81 N 1.48 -0.17 0.25 1.53 0.00 0.62 0.26 119.26 123.22 3kux h ALA 81 Ca 0.33 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3kux h ALA 81 Cb 0.48 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3kux h ALA 81 CO -0.40 -0.65 -0.38 1.96 0.00 0.00 0.00 179.25 179.79 3kux h GLN 82 N -0.26 -0.66 -0.92 0.00 1.08 0.78 -0.50 115.11 114.63 3kux h GLN 82 Ca 0.06 0.05 0.24 0.00 -1.45 0.00 0.00 58.65 57.55 3kux h GLN 82 Cb 0.34 0.15 -0.13 0.00 -0.05 0.00 0.00 27.48 27.80 3kux h GLN 82 CO -0.18 -0.44 0.41 0.77 -0.95 0.00 0.00 178.83 178.44 3kux h SER 83 N -0.69 0.35 -0.09 1.46 0.02 -0.72 0.17 113.55 114.05 3kux h SER 83 Ca -0.00 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3kux h SER 83 Cb 0.66 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3kux h SER 83 CO -0.14 -0.02 -0.01 0.00 -1.14 0.00 0.00 176.83 175.52 3kux h ALA 84 N 1.74 0.12 -0.40 3.77 0.00 -0.06 -0.58 119.26 123.84 3kux h ALA 84 Ca 0.59 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 3kux h ALA 84 Cb 1.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3kux h ALA 84 CO -0.55 -0.19 0.04 -0.07 0.00 0.00 0.00 179.25 178.49 3kux h LEU 85 N -0.14 0.57 -0.43 0.00 3.38 -0.19 -1.80 115.31 116.71 3kux h LEU 85 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kux h LEU 85 Cb 0.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kux h LEU 85 CO 0.01 0.62 0.21 0.00 0.09 0.00 0.00 178.44 179.36 3kux h ALA 86 N 1.46 0.55 0.00 1.53 0.00 -0.50 -1.29 119.26 121.01 3kux h ALA 86 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kux h ALA 86 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kux h ALA 86 CO 0.01 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3kux n ALA 87 N -2.28 1.96 -2.52 0.00 0.00 -0.24 -4.82 120.51 112.61 3kux n ALA 87 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 3kux n ALA 87 Cb 0.10 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.45 3kux n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kux n GLY 88 N -0.13 0.02 3.46 0.00 0.00 -0.48 -5.03 105.19 103.03 3kux n GLY 88 Ca 0.05 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 3kux n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kux s LYS 89 N -4.95 2.09 0.71 1.61 1.02 -0.73 -5.02 119.74 114.46 3kux s LYS 89 Ca 0.11 -0.97 -0.15 0.00 0.02 0.00 0.00 55.97 54.98 3kux s LYS 89 Cb -0.05 -2.20 0.03 0.00 -0.52 0.00 0.00 37.83 35.09 3kux s LYS 89 CO 0.14 0.54 1.16 -1.01 -0.92 0.00 0.00 175.35 175.26 3kux s HIS 90 N -0.93 2.30 -0.03 3.18 3.76 -0.62 -4.16 115.29 118.80 3kux s HIS 90 Ca 0.15 1.59 -0.01 0.00 -0.15 0.00 0.00 55.06 56.64 3kux s HIS 90 Cb -0.11 -3.32 0.03 0.00 1.11 0.00 0.00 32.58 30.30 3kux s HIS 90 CO 0.05 -2.18 0.05 0.08 -0.85 0.00 0.00 174.74 171.89 3kux s VAL 91 N -2.21 -0.07 -0.24 -0.90 1.01 0.09 -0.52 120.40 117.55 3kux s VAL 91 Ca 0.70 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 3kux s VAL 91 Cb -0.25 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3kux s VAL 91 CO 0.44 0.11 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 3kux s VAL 92 N 1.35 3.46 -0.12 2.92 1.01 -0.29 -1.21 120.40 127.52 3kux s VAL 92 Ca -0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3kux s VAL 92 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3kux s VAL 92 CO -0.03 0.30 0.06 -0.69 0.00 0.00 0.00 175.10 174.73 3kux s VAL 93 N 1.46 4.78 0.88 2.92 1.01 0.09 -0.16 120.40 131.39 3kux s VAL 93 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3kux s VAL 93 Cb -0.15 -3.08 0.16 0.00 0.00 0.00 0.00 36.38 33.31 3kux s VAL 93 CO -0.02 0.57 1.23 -0.62 0.00 0.00 0.00 175.10 176.26 3kux s ASP 94 N -0.55 3.63 0.25 3.32 -1.08 -0.54 -1.45 116.67 120.25 3kux s ASP 94 Ca 0.11 0.26 -0.12 0.00 -0.52 0.00 0.00 52.55 52.27 3kux s ASP 94 Cb -0.12 -0.46 -0.08 0.00 -1.46 0.00 0.00 42.92 40.80 3kux s ASP 94 CO 0.02 -2.39 0.61 -0.54 0.52 0.00 0.00 175.17 173.39 3kux s LYS 95 N -5.68 3.89 0.38 4.34 1.02 -1.26 -3.50 119.74 118.93 3kux s LYS 95 Ca 0.70 0.43 -0.25 0.00 0.02 0.00 0.00 55.97 56.87 3kux s LYS 95 Cb -0.06 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.56 3kux s LYS 95 CO 0.50 0.28 1.07 -2.14 -0.92 0.00 0.00 175.35 174.15 3kux s PRO 96 N -2.79 4.21 0.11 -1.68 0.02 -1.26 -5.00 135.00 128.62 3kux s PRO 96 Ca 0.49 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 3kux s PRO 96 Cb -0.11 -2.64 -0.10 0.00 0.02 0.00 0.00 34.50 31.67 3kux s PRO 96 CO 0.20 -0.12 1.48 0.35 -0.33 0.00 0.00 177.00 178.57 3kux h PHE 97 N 2.69 -1.50 -3.74 6.54 3.57 -1.91 -3.45 116.94 119.12 3kux h PHE 97 Ca -0.48 0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 3kux h PHE 97 Cb 1.22 0.70 -0.12 0.00 2.79 0.00 0.00 35.95 40.54 3kux h PHE 97 CO 0.57 -0.43 -0.23 0.99 -2.23 0.00 0.00 178.31 176.98 3kux s THR 98 N -5.30 0.05 -0.26 4.41 2.01 -1.26 -4.79 115.64 110.49 3kux s THR 98 Ca -0.12 -1.25 0.22 0.00 0.31 0.00 0.00 61.69 60.85 3kux s THR 98 Cb 0.07 -1.80 0.27 0.00 0.01 0.00 0.00 72.50 71.05 3kux s THR 98 CO 0.54 -0.24 1.63 0.58 -0.69 0.00 0.00 174.62 176.43 3kux h VAL 99 N 2.45 0.26 -3.88 3.82 2.07 -1.88 -3.46 116.25 115.64 3kux h VAL 99 Ca -0.31 -1.26 -0.20 0.00 0.82 0.00 0.00 66.70 65.76 3kux h VAL 99 Cb 1.24 2.03 -0.24 0.00 -1.52 0.00 0.00 31.29 32.80 3kux h VAL 99 CO 0.45 0.14 -0.71 -0.89 0.02 0.00 0.00 177.57 176.58 3kux s THR 100 N -3.24 0.07 0.17 2.57 2.01 -1.26 -5.04 115.64 110.93 3kux s THR 100 Ca 0.05 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3kux s THR 100 Cb 0.07 -0.16 0.07 0.00 0.01 0.00 0.00 72.50 72.48 3kux s THR 100 CO 0.67 -0.29 1.68 -0.07 -0.69 0.00 0.00 174.62 175.93 3kux h LEU 101 N 5.28 0.92 -0.93 4.42 3.38 -2.00 -1.82 115.31 124.56 3kux h LEU 101 Ca -0.29 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 57.61 3kux h LEU 101 Cb 1.21 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 3kux h LEU 101 CO 0.45 0.92 0.53 -1.28 0.09 0.00 0.00 178.44 179.15 3kux h SER 102 N 0.89 0.67 0.23 -0.43 0.87 -2.00 -1.16 113.55 112.63 3kux h SER 102 Ca 0.19 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3kux h SER 102 Cb 0.36 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3kux h SER 102 CO 0.00 0.26 -0.11 1.56 -0.53 0.00 0.00 176.83 178.01 3kux h GLN 103 N 0.71 -0.30 -0.40 2.24 4.20 -1.90 -2.65 115.11 117.01 3kux h GLN 103 Ca 0.52 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.34 3kux h GLN 103 Cb 0.76 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.53 3kux h GLN 103 CO -0.37 0.03 -0.17 0.00 -0.67 0.00 0.00 178.83 177.65 3kux h ALA 104 N -0.05 0.15 -0.69 3.87 0.00 -0.59 -0.78 119.26 121.17 3kux h ALA 104 Ca -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kux h ALA 104 Cb 0.48 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3kux h ALA 104 CO 0.05 -0.53 0.35 -0.91 0.00 0.00 0.00 179.25 178.21 3kux h ASN 105 N -0.09 0.87 -0.26 0.00 2.35 -1.33 -0.97 115.58 116.14 3kux h ASN 105 Ca 0.20 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3kux h ASN 105 Cb 0.39 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3kux h ASN 105 CO -0.46 0.72 0.06 0.00 -1.65 0.00 0.00 177.43 176.09 3kux h ALA 106 N 1.42 0.27 -0.66 -0.83 0.00 -0.79 -0.05 119.26 118.61 3kux h ALA 106 Ca 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kux h ALA 106 Cb 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kux h ALA 106 CO -0.03 -0.36 0.36 -0.07 0.00 0.00 0.00 179.25 179.15 3kux h LEU 107 N 0.16 0.82 -1.25 0.00 3.38 -0.94 0.27 115.31 117.75 3kux h LEU 107 Ca 0.12 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.11 3kux h LEU 107 Cb 0.11 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3kux h LEU 107 CO -0.15 0.68 0.57 0.50 0.09 0.00 0.00 178.44 180.13 3kux h LYS 108 N 0.90 0.77 0.00 1.13 1.63 -0.56 0.13 116.57 120.57 3kux h LYS 108 Ca 0.23 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3kux h LYS 108 Cb 0.04 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 3kux h LYS 108 CO -0.04 0.51 -0.22 0.93 -3.45 0.00 0.00 179.45 177.18 3kux h GLU 109 N 0.80 0.00 -0.96 1.90 5.08 -0.50 -2.87 114.58 118.03 3kux h GLU 109 Ca 0.42 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.92 3kux h GLU 109 Cb 0.52 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3kux h GLU 109 CO -0.18 0.69 0.58 1.25 -1.00 0.00 0.00 179.01 180.34 3kux h HIS 110 N -1.00 1.04 0.00 4.33 2.76 -0.40 0.18 115.15 122.05 3kux h HIS 110 Ca -0.05 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 3kux h HIS 110 Cb 0.77 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3kux h HIS 110 CO 0.15 0.34 -0.34 0.00 -1.30 0.00 0.00 177.93 176.77 3kux h ALA 111 N 1.56 0.93 0.07 5.26 0.00 -0.88 -2.55 119.26 123.66 3kux h ALA 111 Ca 0.51 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.82 3kux h ALA 111 Cb 0.62 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kux h ALA 111 CO -0.31 0.43 -1.44 0.22 0.00 0.00 0.00 179.25 178.15 3kux h ASP 112 N 0.00 0.24 0.41 0.00 1.82 -0.62 -1.56 116.42 116.72 3kux h ASP 112 Ca -0.00 -0.34 -0.16 0.00 -0.39 0.00 0.00 57.03 56.14 3kux h ASP 112 Cb 0.96 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 3kux h ASP 112 CO 0.04 1.28 -0.69 0.44 -1.61 0.00 0.00 179.24 178.71 3kux h ASP 113 N 0.04 0.28 -0.18 2.28 3.32 -0.78 -3.13 116.42 118.27 3kux h ASP 113 Ca -0.20 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3kux h ASP 113 Cb 1.96 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.43 3kux h ASP 113 CO 0.14 0.88 0.00 0.00 -1.72 0.00 0.00 179.24 178.55 3kux n ALA 114 N -2.47 2.51 -2.33 3.45 0.00 -0.96 -4.91 120.51 115.79 3kux n ALA 114 Ca -0.03 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.79 3kux n ALA 114 Cb 0.68 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 3kux n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kux n GLY 115 N 0.99 -0.29 3.84 0.00 0.00 -1.18 -4.98 105.19 103.57 3kux n GLY 115 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3kux n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kux s LEU 116 N -5.80 3.94 -0.08 0.99 1.43 -0.59 -5.05 118.68 113.52 3kux s LEU 116 Ca 0.00 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 3kux s LEU 116 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3kux s LEU 116 CO 0.00 0.03 0.61 -0.22 0.23 0.00 0.00 176.35 177.00 3kux s LEU 117 N -3.34 4.31 -0.09 1.79 0.20 -1.26 -4.53 118.68 115.76 3kux s LEU 117 Ca 0.32 1.05 0.03 0.00 0.69 0.00 0.00 54.13 56.22 3kux s LEU 117 Cb -0.10 -2.92 0.01 0.00 -0.43 0.00 0.00 46.19 42.75 3kux s LEU 117 CO 0.25 -0.05 -0.17 -0.22 -0.29 0.00 0.00 176.35 175.87 3kux s LEU 118 N 0.62 1.82 0.04 -0.68 2.96 -1.26 -0.73 118.68 121.45 3kux s LEU 118 Ca 0.33 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 3kux s LEU 118 Cb -0.17 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.42 3kux s LEU 118 CO 0.15 0.07 0.20 -0.55 -1.32 0.00 0.00 176.35 174.90 3kux s SER 119 N 0.66 0.04 0.09 3.68 0.15 -0.35 -3.66 113.70 114.30 3kux s SER 119 Ca -0.14 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.21 3kux s SER 119 Cb -0.16 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 3kux s SER 119 CO 0.04 -0.56 -0.14 -0.69 1.20 0.00 0.00 173.24 173.09 3kux s VAL 120 N -2.61 3.13 -1.31 4.45 1.01 -1.12 -0.73 120.40 123.22 3kux s VAL 120 Ca -0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 3kux s VAL 120 Cb -0.01 -2.43 0.14 0.00 0.00 0.00 0.00 36.38 34.08 3kux s VAL 120 CO -0.04 0.16 1.90 0.33 0.00 0.00 0.00 175.10 177.44 3kux n PHE 121 N 0.91 3.38 -2.28 5.22 7.35 -0.53 -4.70 117.46 126.81 3kux n PHE 121 Ca -0.15 -2.90 -0.43 0.00 -0.76 0.00 0.00 57.45 53.22 3kux n PHE 121 Cb 0.52 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 38.22 3kux n PHE 121 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3kux n HIS 122 N 4.75 3.48 0.27 -5.13 8.25 -1.26 -4.64 115.22 120.95 3kux n HIS 122 Ca 0.42 -2.92 0.13 0.00 -0.26 0.00 0.00 57.72 55.10 3kux n HIS 122 Cb 0.38 -2.18 0.78 0.00 1.12 0.00 0.00 29.99 30.09 3kux n HIS 122 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 3kux h ASN 123 N 6.12 0.00 0.10 0.41 -1.07 -1.98 -2.93 115.58 116.23 3kux h ASN 123 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 3kux h ASN 123 Cb 0.68 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 3kux h ASN 123 CO 1.63 0.09 0.00 0.54 0.07 0.00 0.00 177.43 179.76 3kux n ARG 124 N -3.67 0.63 0.00 4.14 1.74 -1.26 -0.90 116.66 117.35 3kux n ARG 124 Ca -0.02 0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 3kux n ARG 124 Cb 0.20 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.42 3kux n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kux n ARG 125 N -1.07 0.20 -0.17 5.56 1.74 -1.11 -2.44 116.66 119.38 3kux n ARG 125 Ca 0.16 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.44 3kux n ARG 125 Cb 0.10 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3kux n ARG 125 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3kux n TRP 126 N -1.21 0.00 -1.99 -1.55 8.01 -0.08 -4.63 117.44 115.99 3kux n TRP 126 Ca 0.06 -0.63 -0.38 0.00 -1.31 0.00 0.00 57.50 55.23 3kux n TRP 126 Cb 0.07 -0.11 0.02 0.00 -2.01 0.00 0.00 31.31 29.28 3kux n TRP 126 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3kux s ASP 127 N -2.03 5.73 0.18 -0.99 1.01 -1.02 -0.24 116.67 119.30 3kux s ASP 127 Ca 0.18 2.58 -0.14 0.00 0.71 0.00 0.00 52.55 55.89 3kux s ASP 127 Cb 0.16 -2.62 0.15 0.00 1.01 0.00 0.00 42.92 41.62 3kux s ASP 127 CO 0.02 -1.24 1.71 0.77 0.21 0.00 0.00 175.17 176.64 3kux h SER 128 N 1.83 -0.06 -0.41 0.27 4.64 -1.80 -1.77 113.55 116.25 3kux h SER 128 Ca -0.50 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3kux h SER 128 Cb 1.27 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 3kux h SER 128 CO 0.59 -0.00 0.14 -2.24 -0.87 0.00 0.00 176.83 174.45 3kux h ASP 129 N 0.18 0.59 -0.09 4.97 3.04 -1.92 -2.31 116.42 120.88 3kux h ASP 129 Ca 0.22 -0.20 -0.00 0.00 -3.24 0.00 0.00 57.03 53.81 3kux h ASP 129 Cb 0.30 -0.15 -0.00 0.00 -1.04 0.00 0.00 39.33 38.44 3kux h ASP 129 CO -0.32 0.63 0.04 0.15 -2.04 0.00 0.00 179.24 177.69 3kux h PHE 130 N 0.51 0.13 -0.25 4.15 3.57 -1.80 -0.90 116.94 122.35 3kux h PHE 130 Ca 0.13 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3kux h PHE 130 Cb 0.24 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 3kux h PHE 130 CO 0.01 0.24 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.08 3kux h LEU 131 N -0.01 -0.59 -0.62 0.59 3.38 -1.30 -0.04 115.31 116.71 3kux h LEU 131 Ca 0.03 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3kux h LEU 131 Cb 0.17 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3kux h LEU 131 CO -0.00 -0.22 0.20 0.74 0.09 0.00 0.00 178.44 179.25 3kux h THR 132 N -0.17 0.72 0.06 0.22 2.02 -1.14 -2.31 112.91 112.31 3kux h THR 132 Ca 0.14 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3kux h THR 132 Cb 0.38 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3kux h THR 132 CO -0.35 0.07 -0.03 0.25 0.37 0.00 0.00 175.52 175.82 3kux h LEU 133 N 0.36 -0.07 -0.85 2.58 5.85 -0.32 -1.58 115.31 121.28 3kux h LEU 133 Ca 0.32 -0.10 0.21 0.00 0.84 0.00 0.00 57.88 59.15 3kux h LEU 133 Cb 0.43 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.35 3kux h LEU 133 CO -0.35 0.06 0.28 0.11 -0.34 0.00 0.00 178.44 178.20 3kux h LYS 134 N -0.19 0.28 -0.37 1.25 1.57 -0.54 0.16 116.57 118.73 3kux h LYS 134 Ca -0.01 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3kux h LYS 134 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kux h LYS 134 CO 0.01 0.19 -0.29 1.15 -0.57 0.00 0.00 179.45 179.94 3kux h THR 135 N 0.29 1.28 -0.67 -0.16 2.02 -1.11 -1.83 112.91 112.71 3kux h THR 135 Ca 0.52 -1.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 3kux h THR 135 Cb 1.00 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3kux h THR 135 CO -0.58 0.47 0.14 0.25 0.37 0.00 0.00 175.52 176.17 3kux h LEU 136 N 0.67 1.04 -0.48 2.58 5.85 -0.01 -2.52 115.31 122.45 3kux h LEU 136 Ca 0.08 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.39 3kux h LEU 136 Cb 0.82 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3kux h LEU 136 CO 0.07 1.02 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.63 3kux h LEU 137 N 1.02 0.76 -1.64 2.25 3.38 -1.15 -2.62 115.31 117.31 3kux h LEU 137 Ca 0.21 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3kux h LEU 137 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kux h LEU 137 CO 0.01 1.12 -0.01 0.00 0.09 0.00 0.00 178.44 179.65 3kux h ALA 138 N 0.90 1.71 0.00 1.53 0.00 -1.12 -2.38 119.26 119.90 3kux h ALA 138 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3kux h ALA 138 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3kux h ALA 138 CO 0.10 0.22 -0.80 0.93 0.00 0.00 0.00 179.25 179.71 3kux h GLU 139 N 0.21 0.00 0.00 0.00 5.08 -1.32 -3.49 114.58 115.06 3kux h GLU 139 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kux h GLU 139 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kux h GLU 139 CO 0.00 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 3kux n GLY 140 N 1.22 0.55 0.23 -3.84 0.00 -0.90 -4.94 105.19 97.52 3kux n GLY 140 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3kux n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kux h SER 141 N 0.00 0.04 0.64 1.61 4.64 -1.87 -1.59 113.55 117.02 3kux h SER 141 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kux h SER 141 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3kux h SER 141 CO 0.00 0.20 0.00 0.18 -0.87 0.00 0.00 176.83 176.34 3kux n LEU 142 N -4.34 0.09 0.00 5.97 4.77 -1.26 -4.44 117.00 117.79 3kux n LEU 142 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3kux n LEU 142 Cb 0.23 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3kux n LEU 142 CO 0.36 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3kux n GLY 143 N 0.31 -0.08 3.65 -0.72 0.00 -0.60 -0.84 105.19 106.90 3kux n GLY 143 Ca 0.04 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 3kux n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kux s ASN 144 N -4.00 6.87 0.08 1.61 0.02 -1.26 -4.75 114.94 113.51 3kux s ASN 144 Ca 0.00 1.49 -0.31 0.00 -1.02 0.00 0.00 52.86 53.02 3kux s ASN 144 Cb 0.00 -2.54 -0.06 0.00 0.02 0.00 0.00 41.25 38.67 3kux s ASN 144 CO 0.00 -0.86 1.25 -0.69 0.02 0.00 0.00 177.10 176.82 3kux s VAL 145 N 3.76 3.81 0.00 1.60 1.01 -1.26 -0.99 120.40 128.33 3kux s VAL 145 Ca 0.54 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.83 3kux s VAL 145 Cb -0.19 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3kux s VAL 145 CO 0.17 0.11 0.00 1.33 0.00 0.00 0.00 175.10 176.70 3kux n VAL 146 N 3.84 0.00 -3.72 2.92 0.24 -0.30 -4.85 118.33 116.46 3kux n VAL 146 Ca 0.09 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 3kux n VAL 146 Cb 0.45 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.71 3kux n VAL 146 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3kux s TYR 147 N -0.98 -0.49 -0.06 6.34 5.04 -1.09 -1.46 117.35 124.64 3kux s TYR 147 Ca 0.00 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.72 3kux s TYR 147 Cb 0.00 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.53 3kux s TYR 147 CO 0.00 -0.27 0.01 0.12 -1.34 0.00 0.00 175.55 174.07 3kux s PHE 148 N 0.92 0.54 -0.12 4.97 5.36 -0.03 -1.91 117.98 127.71 3kux s PHE 148 Ca -0.06 -0.08 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 3kux s PHE 148 Cb -0.06 -0.73 0.01 0.00 -0.34 0.00 0.00 43.02 41.89 3kux s PHE 148 CO -0.07 -0.30 -0.20 -2.00 -1.46 0.00 0.00 175.22 171.19 3kux s GLU 149 N 2.02 2.78 -0.10 10.12 2.12 0.23 0.75 118.70 136.62 3kux s GLU 149 Ca 0.05 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 3kux s GLU 149 Cb -0.12 -2.23 0.03 0.00 0.26 0.00 0.00 34.13 32.07 3kux s GLU 149 CO -0.05 0.02 -0.04 0.45 -0.54 0.00 0.00 175.26 175.11 3kux s SER 150 N 0.74 1.96 0.13 -1.70 0.15 0.37 -0.74 113.70 114.61 3kux s SER 150 Ca -0.10 -0.24 0.10 0.00 0.70 0.00 0.00 55.95 56.41 3kux s SER 150 Cb -0.16 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 3kux s SER 150 CO 0.01 -0.16 -0.22 -1.00 1.20 0.00 0.00 173.24 173.07 3kux s HIS 151 N 1.83 2.43 -0.53 3.44 3.76 -0.23 -1.04 115.29 124.95 3kux s HIS 151 Ca 0.05 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 54.71 3kux s HIS 151 Cb -0.13 -1.30 0.25 0.00 1.11 0.00 0.00 32.58 32.52 3kux s HIS 151 CO -0.07 0.37 0.65 1.19 -0.85 0.00 0.00 174.74 176.03 3kux n PHE 152 N 0.81 1.91 -3.06 1.40 3.72 -0.28 -4.68 117.46 117.28 3kux n PHE 152 Ca -0.16 -3.90 -0.40 0.00 -0.05 0.00 0.00 57.45 52.94 3kux n PHE 152 Cb 0.53 -0.47 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 3kux n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kux s ASP 153 N -1.92 7.06 0.19 4.37 1.01 -1.26 -3.58 116.67 122.53 3kux s ASP 153 Ca 0.38 1.27 0.03 0.00 0.71 0.00 0.00 52.55 54.94 3kux s ASP 153 Cb 0.16 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 3kux s ASP 153 CO -0.05 -0.02 -0.03 -0.13 0.21 0.00 0.00 175.17 175.15 3kux s ARG 154 N 0.28 1.19 -0.48 8.23 0.52 0.80 -4.85 118.95 124.64 3kux s ARG 154 Ca 0.36 -1.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.03 3kux s ARG 154 Cb -0.19 -0.51 0.12 0.00 0.52 0.00 0.00 34.95 34.89 3kux s ARG 154 CO 0.19 -0.06 0.22 -0.47 0.02 0.00 0.00 175.30 175.20 3kux s TYR 155 N -3.47 3.37 -0.43 -0.53 5.04 -1.24 -0.76 117.35 119.33 3kux s TYR 155 Ca 0.24 -3.07 0.02 0.00 -2.44 0.00 0.00 57.07 51.82 3kux s TYR 155 Cb 0.05 -2.90 0.14 0.00 0.35 0.00 0.00 41.96 39.60 3kux s TYR 155 CO 0.05 -0.81 0.25 -0.98 -1.34 0.00 0.00 175.55 172.71 3kux s ARG 156 N 0.10 1.19 0.46 4.97 1.70 -0.18 -4.97 118.95 122.22 3kux s ARG 156 Ca 0.15 -1.94 0.26 0.00 -0.47 0.00 0.00 55.73 53.73 3kux s ARG 156 Cb -0.23 -2.17 0.93 0.00 -0.57 0.00 0.00 34.95 32.90 3kux s ARG 156 CO -0.03 -1.18 1.82 -1.00 -1.08 0.00 0.00 175.30 173.83 3kux h PRO 157 N 6.69 0.00 -6.17 3.89 0.13 -1.95 -3.44 132.00 131.16 3kux h PRO 157 Ca 0.02 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.59 3kux h PRO 157 Cb 0.93 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 3kux h PRO 157 CO 0.45 0.15 0.43 -1.83 -0.23 0.00 0.00 178.00 176.97 3kux s GLU 158 N -3.55 4.41 -1.47 0.86 1.03 -1.26 -4.95 118.70 113.77 3kux s GLU 158 Ca 0.02 1.23 -0.10 0.00 0.03 0.00 0.00 54.97 56.16 3kux s GLU 158 Cb 0.09 -3.53 0.03 0.00 -0.80 0.00 0.00 34.13 29.92 3kux s GLU 158 CO 0.62 -0.23 2.51 -0.89 -1.33 0.00 0.00 175.26 175.94 3kux n ILE 159 N 4.41 4.38 -0.97 1.83 5.41 -1.26 -4.35 119.36 128.79 3kux n ILE 159 Ca 0.06 -3.37 0.01 0.00 1.00 0.00 0.00 62.75 60.45 3kux n ILE 159 Cb 0.49 -2.44 0.01 0.00 -0.71 0.00 0.00 39.64 36.99 3kux n ILE 159 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3kux n ARG 160 N 3.69 0.83 0.00 0.38 1.85 -1.26 -5.03 116.66 117.12 3kux n ARG 160 Ca 0.63 -1.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 3kux n ARG 160 Cb 0.29 -0.72 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 3kux n ARG 160 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3kux n GLN 161 N -0.26 0.00 -3.34 2.89 1.13 -1.26 -4.79 117.38 111.75 3kux n GLN 161 Ca 0.02 0.22 -0.46 0.00 -1.94 0.00 0.00 57.00 54.83 3kux n GLN 161 Cb 0.50 -0.82 -0.03 0.00 0.11 0.00 0.00 30.24 30.00 3kux n GLN 161 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kux s ARG 162 N -0.72 3.46 -0.07 -1.09 6.06 -1.26 -5.03 118.95 120.30 3kux s ARG 162 Ca 0.00 -2.34 -0.16 0.00 -2.50 0.00 0.00 55.73 50.73 3kux s ARG 162 Cb 0.00 -4.38 -0.05 0.00 0.06 0.00 0.00 34.95 30.58 3kux s ARG 162 CO 0.00 -1.29 0.40 -1.58 -2.50 0.00 0.00 175.30 170.33 3kux s TRP 163 N 0.39 3.60 -0.07 5.12 0.52 -1.26 -3.73 118.94 123.51 3kux s TRP 163 Ca 0.15 0.87 0.05 0.00 0.02 0.00 0.00 56.10 57.20 3kux s TRP 163 Cb -0.14 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 3kux s TRP 163 CO -0.07 0.41 -0.23 0.50 0.02 0.00 0.00 176.95 177.58 3kux s ARG 164 N -0.20 2.49 6.96 4.98 3.52 -1.26 -5.09 118.95 130.35 3kux s ARG 164 Ca 0.23 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 3kux s ARG 164 Cb -0.15 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 3kux s ARG 164 CO 0.10 0.29 0.00 -0.85 -0.81 0.00 0.00 175.30 174.03 3kux n GLU 165 N 3.17 0.00 0.20 5.12 0.28 -1.24 -5.01 120.64 123.15 3kux n GLU 165 Ca -0.18 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.65 3kux n GLU 165 Cb 0.52 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.30 3kux n GLU 165 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 3kux h GLN 166 N 0.00 -0.81 0.00 3.44 3.07 -1.89 -3.46 115.11 115.46 3kux h GLN 166 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.80 3kux h GLN 166 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.74 3kux h GLN 166 CO 0.00 -0.54 0.00 0.41 0.09 0.00 0.00 178.83 178.79 3kux n GLY 170 N -1.52 0.00 7.00 0.06 0.00 -1.26 -4.42 105.19 105.05 3kux n GLY 170 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kux n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kux n GLY 171 N -0.09 3.40 1.11 -0.02 0.00 -1.26 -2.95 105.19 105.37 3kux n GLY 171 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kux n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kux n GLY 172 N 0.00 0.07 0.02 -0.02 0.00 -1.26 -4.34 105.19 99.68 3kux n GLY 172 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kux n GLY 172 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kux n ILE 173 N -2.49 0.12 -0.09 -0.61 -5.35 -0.84 -3.11 119.36 106.99 3kux n ILE 173 Ca 0.00 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.20 3kux n ILE 173 Cb 0.00 0.32 0.03 0.00 -1.74 0.00 0.00 39.64 38.26 3kux n ILE 173 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 3kux h TRP 174 N 0.00 0.97 -0.01 4.28 2.91 -1.82 0.33 115.95 122.61 3kux h TRP 174 Ca 0.00 -0.27 -0.16 0.00 1.13 0.00 0.00 58.89 59.59 3kux h TRP 174 Cb 0.67 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 3kux h TRP 174 CO 0.00 1.04 -0.74 1.88 -1.03 0.00 0.00 178.44 179.59 3kux h TYR 175 N 0.69 0.08 0.19 2.65 0.05 -1.76 -1.26 116.97 117.62 3kux h TYR 175 Ca 0.07 -0.04 -0.34 0.00 0.05 0.00 0.00 58.73 58.47 3kux h TYR 175 Cb 0.89 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.64 3kux h TYR 175 CO 0.05 0.78 -1.61 0.22 -1.05 0.00 0.00 178.16 176.55 3kux h ASP 176 N 0.04 0.63 0.00 3.88 3.58 -1.45 -3.42 116.42 119.69 3kux h ASP 176 Ca -0.01 -0.82 -0.08 0.00 0.42 0.00 0.00 57.03 56.53 3kux h ASP 176 Cb 1.31 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 3kux h ASP 176 CO 0.10 1.68 -1.39 0.18 -2.88 0.00 0.00 179.24 176.93 3kux n LEU 177 N -3.60 0.00 -0.25 2.28 4.77 0.11 -4.66 117.00 115.65 3kux n LEU 177 Ca -0.20 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.75 3kux n LEU 177 Cb 1.08 0.11 0.03 0.00 -2.33 0.00 0.00 43.42 42.31 3kux n LEU 177 CO 0.54 0.11 0.63 1.23 -1.33 0.00 0.00 177.39 178.58 3kux h GLY 178 N 1.21 0.04 0.39 -0.72 0.00 -1.18 -1.90 103.07 100.91 3kux h GLY 178 Ca -0.12 0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.75 3kux h GLY 178 CO 0.01 -0.22 0.48 -2.55 0.00 0.00 0.00 176.54 174.26 3kux h PRO 179 N -0.10 0.73 0.11 4.80 0.11 -1.80 0.15 132.00 136.00 3kux h PRO 179 Ca 0.28 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 3kux h PRO 179 Cb 0.56 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3kux h PRO 179 CO -0.76 0.48 -0.08 0.45 -0.21 0.00 0.00 178.00 177.88 3kux h HIS 180 N 0.75 -0.20 -0.05 0.65 3.86 -1.64 -1.64 115.15 116.88 3kux h HIS 180 Ca 0.44 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.63 3kux h HIS 180 Cb 0.50 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3kux h HIS 180 CO -0.06 -0.12 -0.03 -0.07 0.86 0.00 0.00 177.93 178.51 3kux h LEU 181 N -0.19 0.12 -0.66 2.43 4.07 -1.08 -2.79 115.31 117.21 3kux h LEU 181 Ca -0.01 -0.41 0.09 0.00 0.08 0.00 0.00 57.88 57.64 3kux h LEU 181 Cb 0.17 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.80 3kux h LEU 181 CO -0.00 0.50 0.29 -0.07 -1.08 0.00 0.00 178.44 178.08 3kux h LEU 182 N -0.27 0.35 -0.72 1.67 3.38 -0.76 -1.62 115.31 117.34 3kux h LEU 182 Ca 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kux h LEU 182 Cb 0.46 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3kux h LEU 182 CO 0.01 0.20 0.40 -0.78 0.09 0.00 0.00 178.44 178.36 3kux h ASP 183 N 0.51 0.89 -0.46 -0.43 3.58 -1.23 -0.84 116.42 118.43 3kux h ASP 183 Ca 0.33 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 3kux h ASP 183 Cb 0.37 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3kux h ASP 183 CO -0.28 0.72 0.24 1.56 -2.88 0.00 0.00 179.24 178.60 3kux h GLN 184 N 0.99 0.66 -0.60 0.28 4.20 -1.15 -0.61 115.11 118.88 3kux h GLN 184 Ca 0.25 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.91 3kux h GLN 184 Cb 0.02 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 3kux h GLN 184 CO -0.04 0.54 0.35 0.00 -0.67 0.00 0.00 178.83 179.01 3kux h ALA 185 N 1.08 0.78 -0.48 3.87 0.00 -0.81 -0.50 119.26 123.21 3kux h ALA 185 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3kux h ALA 185 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kux h ALA 185 CO -0.02 0.07 0.17 -0.07 0.00 0.00 0.00 179.25 179.40 3kux h LEU 186 N 0.69 0.68 -1.25 0.00 4.07 -0.97 0.02 115.31 118.55 3kux h LEU 186 Ca 0.25 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3kux h LEU 186 Cb 0.06 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 3kux h LEU 186 CO -0.12 0.69 0.48 1.56 -1.08 0.00 0.00 178.44 179.96 3kux h GLN 187 N 0.64 0.98 0.16 1.13 1.08 -0.51 0.29 115.11 118.88 3kux h GLN 187 Ca 0.16 -0.07 -0.26 0.00 -1.45 0.00 0.00 58.65 57.03 3kux h GLN 187 Cb 0.23 -0.22 0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3kux h GLN 187 CO -0.01 0.66 -1.23 -0.07 -0.95 0.00 0.00 178.83 177.24 3kux h LEU 188 N 1.01 0.53 -0.72 1.46 3.38 -0.93 -3.41 115.31 116.63 3kux h LEU 188 Ca 0.27 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3kux h LEU 188 Cb -0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kux h LEU 188 CO -0.06 1.57 0.00 0.49 0.09 0.00 0.00 178.44 180.53 3kux n PHE 189 N -3.93 0.00 -4.36 1.13 3.72 -0.02 -5.10 117.46 108.90 3kux n PHE 189 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3kux n PHE 189 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 3kux n PHE 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kux n GLY 190 N 0.11 -0.62 3.75 1.37 0.00 0.10 -4.84 105.19 105.05 3kux n GLY 190 Ca 0.00 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 3kux n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kux s LEU 191 N 0.00 4.62 0.95 0.99 1.43 -1.26 -4.28 118.68 121.12 3kux s LEU 191 Ca 0.00 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.88 3kux s LEU 191 Cb 0.00 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.80 3kux s LEU 191 CO 0.00 0.10 1.29 -2.16 0.23 0.00 0.00 176.35 175.80 3kux s PRO 192 N -0.96 0.76 -0.12 1.29 0.04 -1.26 -4.99 135.00 129.75 3kux s PRO 192 Ca 0.42 -0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.07 3kux s PRO 192 Cb -0.26 -1.85 -0.26 0.00 0.04 0.00 0.00 34.50 32.18 3kux s PRO 192 CO 0.32 -2.35 0.39 0.93 0.04 0.00 0.00 177.00 176.33 3kux h GLU 193 N -1.60 0.24 -4.78 4.56 5.08 -0.21 -3.43 114.58 114.44 3kux h GLU 193 Ca -0.45 -0.41 -0.31 0.00 -1.00 0.00 0.00 59.36 57.20 3kux h GLU 193 Cb 1.25 0.15 -0.21 0.00 0.50 0.00 0.00 28.75 30.45 3kux h GLU 193 CO 0.43 1.20 -0.74 0.95 -1.00 0.00 0.00 179.01 179.84 3kux s THR 194 N -2.52 0.71 -0.15 1.13 -4.23 -1.22 -1.93 115.64 107.42 3kux s THR 194 Ca -0.22 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3kux s THR 194 Cb 0.06 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 73.11 3kux s THR 194 CO 0.75 -0.37 -0.21 -0.22 -0.54 0.00 0.00 174.62 174.03 3kux s LEU 195 N -1.73 2.15 -0.23 4.79 2.96 0.66 -1.39 118.68 125.90 3kux s LEU 195 Ca -0.06 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3kux s LEU 195 Cb -0.09 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.18 3kux s LEU 195 CO 0.01 0.05 -0.14 0.21 -1.32 0.00 0.00 176.35 175.16 3kux s ASN 196 N 0.97 3.98 -0.06 3.68 2.47 -0.18 -1.37 114.94 124.44 3kux s ASN 196 Ca -0.03 -1.14 0.05 0.00 0.42 0.00 0.00 52.86 52.16 3kux s ASN 196 Cb -0.15 -1.52 -0.02 0.00 -1.45 0.00 0.00 41.25 38.11 3kux s ASN 196 CO -0.05 -0.12 -0.21 -0.69 -3.72 0.00 0.00 177.10 172.31 3kux s VAL 197 N 1.17 2.45 -0.32 -5.21 1.01 -1.26 -0.76 120.40 117.48 3kux s VAL 197 Ca -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3kux s VAL 197 Cb -0.18 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.36 3kux s VAL 197 CO -0.08 0.57 0.01 -0.62 0.00 0.00 0.00 175.10 174.99 3kux s ASP 198 N -0.29 4.74 0.31 3.32 3.68 -0.66 -3.51 116.67 124.26 3kux s ASP 198 Ca 0.01 -1.81 -0.11 0.00 2.13 0.00 0.00 52.55 52.77 3kux s ASP 198 Cb -0.13 -1.64 -0.07 0.00 -1.45 0.00 0.00 42.92 39.63 3kux s ASP 198 CO 0.03 -0.33 0.67 -0.76 0.13 0.00 0.00 175.17 174.91 3kux s LEU 199 N 1.03 4.03 0.00 -1.34 1.43 -1.26 -1.67 118.68 120.89 3kux s LEU 199 Ca 0.03 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3kux s LEU 199 Cb -0.20 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.15 3kux s LEU 199 CO -0.06 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.91 3kux n GLY 200 N -0.64 4.36 0.00 -3.19 0.00 0.54 -4.95 105.19 101.31 3kux n GLY 200 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3kux n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kux n LEU 202 N 0.00 0.00 -4.63 0.99 4.32 -1.26 -0.99 117.00 115.43 3kux n LEU 202 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 3kux n LEU 202 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 3kux n LEU 202 CO 0.00 0.00 0.48 -0.60 -1.22 0.00 0.00 177.39 176.05 3kux s ARG 203 N 0.00 4.13 0.08 3.23 3.52 -1.26 -5.02 118.95 123.63 3kux s ARG 203 Ca 0.00 0.67 -0.33 0.00 -0.13 0.00 0.00 55.73 55.95 3kux s ARG 203 Cb 0.00 -3.65 -0.12 0.00 -1.56 0.00 0.00 34.95 29.62 3kux s ARG 203 CO 0.00 -0.45 1.77 -2.30 -0.81 0.00 0.00 175.30 173.51 3kux n PRO 204 N 5.82 2.45 0.00 5.12 -0.02 -1.26 -1.45 135.00 145.66 3kux n PRO 204 Ca 0.02 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3kux n PRO 204 Cb 0.48 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3kux n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kux n GLY 205 N 4.02 1.02 3.74 -1.23 0.00 -1.26 -4.92 105.19 106.56 3kux n GLY 205 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kux n GLY 205 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kux n SER 206 N 0.00 2.93 -0.02 1.61 7.64 -0.53 -4.93 113.62 120.32 3kux n SER 206 Ca 0.00 1.07 0.03 0.00 1.01 0.00 0.00 58.87 60.98 3kux n SER 206 Cb 0.00 -1.57 -0.10 0.00 -1.01 0.00 0.00 64.21 61.53 3kux n SER 206 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kux n GLN 207 N -0.36 0.87 -4.59 1.43 1.13 -1.26 -5.03 117.38 109.57 3kux n GLN 207 Ca 0.07 -0.09 -0.27 0.00 -1.94 0.00 0.00 57.00 54.77 3kux n GLN 207 Cb 0.42 -1.31 -0.09 0.00 0.11 0.00 0.00 30.24 29.37 3kux n GLN 207 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3kux s SER 208 N -3.77 3.23 0.12 1.08 0.01 -1.26 -4.90 113.70 108.20 3kux s SER 208 Ca -0.05 -1.57 -0.35 0.00 1.31 0.00 0.00 55.95 55.29 3kux s SER 208 Cb 0.07 0.27 -0.14 0.00 0.21 0.00 0.00 66.02 66.43 3kux s SER 208 CO 0.52 -0.78 1.55 0.52 0.41 0.00 0.00 173.24 175.46 3kux n VAL 209 N -0.97 0.05 -0.73 3.43 0.31 -1.15 -4.86 118.33 114.41 3kux n VAL 209 Ca -0.09 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.26 3kux n VAL 209 Cb 0.66 -1.40 0.05 0.00 -0.91 0.00 0.00 33.84 32.24 3kux n VAL 209 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kux n ASP 210 N 3.51 1.59 -3.65 4.52 5.68 -0.16 -1.98 116.55 126.07 3kux n ASP 210 Ca 0.18 -2.21 -0.13 0.00 -0.50 0.00 0.00 54.79 52.13 3kux n ASP 210 Cb 0.26 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 3kux n ASP 210 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3kux s TYR 211 N -1.35 -0.78 -0.16 2.11 5.04 -0.80 -2.90 117.35 118.50 3kux s TYR 211 Ca 0.11 1.84 -0.18 0.00 -2.44 0.00 0.00 57.07 56.39 3kux s TYR 211 Cb 0.09 0.31 0.05 0.00 0.35 0.00 0.00 41.96 42.76 3kux s TYR 211 CO 0.01 -0.38 0.49 -0.59 -1.34 0.00 0.00 175.55 173.74 3kux s PHE 212 N 0.56 -0.52 -0.23 4.97 -0.12 -0.86 -0.34 117.98 121.44 3kux s PHE 212 Ca -0.02 1.22 -0.02 0.00 -0.05 0.00 0.00 56.93 58.06 3kux s PHE 212 Cb -0.05 0.19 0.07 0.00 -0.63 0.00 0.00 43.02 42.61 3kux s PHE 212 CO -0.02 -0.29 0.06 -1.58 -0.05 0.00 0.00 175.22 173.33 3kux s HIS 213 N 0.03 1.10 -0.10 3.49 2.46 -0.67 -1.20 115.29 120.40 3kux s HIS 213 Ca -0.02 -1.07 -0.01 0.00 0.47 0.00 0.00 55.06 54.43 3kux s HIS 213 Cb -0.03 -1.18 -0.03 0.00 -0.13 0.00 0.00 32.58 31.21 3kux s HIS 213 CO 0.02 -0.70 -0.06 0.00 -2.47 0.00 0.00 174.74 171.52 3kux s ALA 214 N 1.83 2.98 -0.20 1.58 0.00 0.17 -1.66 121.76 126.46 3kux s ALA 214 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3kux s ALA 214 Cb -0.17 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.64 3kux s ALA 214 CO -0.16 0.45 -0.15 0.08 0.00 0.00 0.00 175.76 175.98 3kux s VAL 215 N -0.40 2.35 -0.21 0.00 1.01 0.06 -0.59 120.40 122.61 3kux s VAL 215 Ca 0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3kux s VAL 215 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3kux s VAL 215 CO 0.02 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 174.87 3kux s LEU 216 N 1.30 3.78 -0.17 3.92 1.02 0.21 -1.01 118.68 127.73 3kux s LEU 216 Ca 0.03 0.01 -0.06 0.00 0.02 0.00 0.00 54.13 54.14 3kux s LEU 216 Cb -0.14 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 3kux s LEU 216 CO -0.10 0.10 0.02 -0.55 0.02 0.00 0.00 176.35 175.84 3kux s SER 217 N 0.84 5.26 0.15 2.29 0.15 -0.48 -1.26 113.70 120.65 3kux s SER 217 Ca 0.05 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.75 3kux s SER 217 Cb -0.13 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 3kux s SER 217 CO 0.02 0.17 -0.15 -0.31 1.20 0.00 0.00 173.24 174.18 3kux s TYR 218 N 0.35 1.58 -0.31 3.44 2.02 -0.62 0.61 117.35 124.43 3kux s TYR 218 Ca -0.00 -0.54 -0.35 0.00 -0.37 0.00 0.00 57.07 55.80 3kux s TYR 218 Cb -0.13 -0.79 -0.11 0.00 -0.40 0.00 0.00 41.96 40.52 3kux s TYR 218 CO 0.01 0.23 2.12 -2.30 -1.57 0.00 0.00 175.55 174.04 3kux n PRO 219 N 0.27 1.24 -1.29 -1.71 -0.02 -1.26 -1.23 135.00 131.00 3kux n PRO 219 Ca -0.13 0.37 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 3kux n PRO 219 Cb 0.58 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3kux n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kux n GLY 220 N 6.06 1.13 3.11 -1.23 0.00 -1.26 -4.99 105.19 108.02 3kux n GLY 220 Ca 0.37 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 3kux n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kux s GLN 221 N -2.74 0.49 -0.01 1.61 -0.21 -0.37 -4.63 119.66 113.81 3kux s GLN 221 Ca 0.00 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.04 3kux s GLN 221 Cb 0.00 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.21 3kux s GLN 221 CO 0.00 -0.12 -0.11 1.03 -2.12 0.00 0.00 175.29 173.97 3kux s ARG 222 N -1.34 0.90 -0.13 2.91 1.81 -0.53 -1.59 118.95 120.98 3kux s ARG 222 Ca -0.14 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 53.50 3kux s ARG 222 Cb -0.07 -0.87 0.01 0.00 -0.45 0.00 0.00 34.95 33.57 3kux s ARG 222 CO 0.02 0.22 -0.19 0.08 -0.68 0.00 0.00 175.30 174.75 3kux s VAL 223 N -0.21 1.82 -0.22 3.52 1.01 -0.39 -0.85 120.40 125.09 3kux s VAL 223 Ca 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3kux s VAL 223 Cb -0.05 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3kux s VAL 223 CO -0.00 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 3kux s VAL 224 N 0.96 2.82 -0.14 2.92 1.01 0.23 -0.62 120.40 127.58 3kux s VAL 224 Ca -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3kux s VAL 224 Cb -0.15 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3kux s VAL 224 CO -0.03 0.36 -0.03 -0.76 0.00 0.00 0.00 175.10 174.64 3kux s LEU 225 N 1.36 3.33 -0.09 3.92 1.43 0.24 -0.47 118.68 128.40 3kux s LEU 225 Ca 0.03 -0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 3kux s LEU 225 Cb -0.15 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kux s LEU 225 CO -0.06 0.22 0.25 -2.28 0.23 0.00 0.00 176.35 174.71 3kux s HIS 226 N 0.04 -0.27 0.09 0.29 2.46 -0.21 0.42 115.29 118.11 3kux s HIS 226 Ca 0.01 0.66 -0.08 0.00 0.47 0.00 0.00 55.06 56.11 3kux s HIS 226 Cb -0.13 0.09 -0.00 0.00 -0.13 0.00 0.00 32.58 32.41 3kux s HIS 226 CO 0.02 -0.13 0.18 0.45 -2.47 0.00 0.00 174.74 172.80 3kux s SER 227 N 0.15 0.13 -0.06 9.88 0.15 -0.34 -1.13 113.70 122.49 3kux s SER 227 Ca -0.00 -0.66 -0.29 0.00 0.70 0.00 0.00 55.95 55.70 3kux s SER 227 Cb -0.02 0.34 0.11 0.00 -1.71 0.00 0.00 66.02 64.73 3kux s SER 227 CO 0.00 -0.73 0.89 0.28 1.20 0.00 0.00 173.24 174.89 3kux s THR 228 N -3.85 0.00 -1.90 6.45 -1.32 -1.24 -2.03 115.64 111.76 3kux s THR 228 Ca 0.05 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.69 3kux s THR 228 Cb 0.05 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.24 3kux s THR 228 CO -0.11 0.00 1.10 1.33 -2.21 0.00 0.00 174.62 174.73 3kux n VAL 229 N 0.22 0.22 -3.42 5.08 0.24 -1.14 -0.14 118.33 119.39 3kux n VAL 229 Ca -0.11 -0.61 -0.27 0.00 -2.04 0.00 0.00 64.34 61.31 3kux n VAL 229 Cb 0.60 1.16 -0.08 0.00 -1.47 0.00 0.00 33.84 34.04 3kux n VAL 229 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kux n LEU 230 N 0.94 3.40 -3.51 1.34 4.77 -0.97 -1.01 117.00 121.95 3kux n LEU 230 Ca 0.11 -5.37 -0.28 0.00 -0.03 0.00 0.00 56.01 50.45 3kux n LEU 230 Cb 0.43 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 3kux n LEU 230 CO 0.11 2.05 -0.28 0.00 -1.33 0.00 0.00 177.39 177.94 3kux s ALA 231 N -2.32 1.64 0.21 -1.18 0.00 0.06 -4.98 121.76 115.20 3kux s ALA 231 Ca 0.39 -2.47 -0.09 0.00 0.00 0.00 0.00 51.96 49.79 3kux s ALA 231 Cb 0.14 -1.70 0.27 0.00 0.00 0.00 0.00 23.12 21.84 3kux s ALA 231 CO -0.03 -2.03 1.78 0.00 0.00 0.00 0.00 175.76 175.48 3kux h ALA 232 N 6.11 0.86 -2.67 0.00 0.00 -1.92 -3.30 119.26 118.34 3kux h ALA 232 Ca 0.16 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.59 3kux h ALA 232 Cb 0.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3kux h ALA 232 CO 0.40 -0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.77 3kux s ALA 233 N -6.09 3.38 0.18 0.00 0.00 -1.26 -4.91 121.76 113.06 3kux s ALA 233 Ca -0.13 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 3kux s ALA 233 Cb 0.17 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 3kux s ALA 233 CO 0.75 0.12 1.56 -2.00 0.00 0.00 0.00 175.76 176.19 3kux s GLU 234 N -0.36 4.22 0.35 0.00 2.12 -1.26 -5.00 118.70 118.76 3kux s GLU 234 Ca 0.39 2.37 0.09 0.00 0.36 0.00 0.00 54.97 58.17 3kux s GLU 234 Cb -0.22 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 3kux s GLU 234 CO 0.25 -0.59 0.03 0.95 -0.54 0.00 0.00 175.26 175.36 3kux s THR 235 N 1.02 2.55 0.47 -1.70 -4.23 -1.26 -5.10 115.64 107.38 3kux s THR 235 Ca 0.69 -1.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 3kux s THR 235 Cb -0.44 -2.84 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 3kux s THR 235 CO 0.33 -0.16 1.40 0.00 -0.54 0.00 0.00 174.62 175.64 3kux n ALA 236 N -0.99 1.86 0.01 3.99 0.00 -1.26 -4.66 120.51 119.45 3kux n ALA 236 Ca -0.04 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 3kux n ALA 236 Cb 0.63 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 3kux n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kux h ARG 237 N 2.10 -0.13 -6.30 0.00 9.65 -0.07 -3.37 114.38 116.26 3kux h ARG 237 Ca -0.50 0.01 -0.64 0.00 -1.10 0.00 0.00 59.98 57.75 3kux h ARG 237 Cb 1.28 0.03 -0.28 0.00 -1.39 0.00 0.00 29.97 29.61 3kux h ARG 237 CO 0.60 0.34 -0.86 0.71 2.80 0.00 0.00 179.97 183.56 3kux s TYR 238 N -2.77 2.03 -0.12 2.20 2.02 -0.97 -1.07 117.35 118.67 3kux s TYR 238 Ca -0.11 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3kux s TYR 238 Cb -0.00 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.32 3kux s TYR 238 CO 0.42 0.03 -0.04 0.42 -1.57 0.00 0.00 175.55 174.82 3kux s ILE 239 N -0.65 0.81 -0.11 2.71 1.01 0.08 -1.35 121.20 123.69 3kux s ILE 239 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3kux s ILE 239 Cb -0.09 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3kux s ILE 239 CO 0.00 0.23 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 3kux s VAL 240 N 1.78 1.12 -0.14 2.92 1.01 0.13 -0.60 120.40 126.63 3kux s VAL 240 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3kux s VAL 240 Cb -0.13 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3kux s VAL 240 CO -0.07 0.38 -0.08 -1.00 0.00 0.00 0.00 175.10 174.32 3kux s HIS 241 N 1.49 2.92 0.49 5.22 3.76 -0.80 -0.73 115.29 127.64 3kux s HIS 241 Ca 0.02 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 3kux s HIS 241 Cb -0.13 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 3kux s HIS 241 CO -0.06 -0.09 0.04 0.20 -0.85 0.00 0.00 174.74 173.97 3kux s GLY 242 N 0.27 2.88 0.09 -2.22 0.00 0.22 -1.15 107.32 107.41 3kux s GLY 242 Ca -0.06 -0.81 0.19 0.00 0.00 0.00 0.00 44.72 44.04 3kux s GLY 242 CO 0.04 -2.16 1.60 -1.30 0.00 0.00 0.00 173.10 171.28 3kux n THR 243 N -1.25 0.85 0.00 0.90 -2.24 -0.16 -3.47 114.28 108.91 3kux n THR 243 Ca -0.15 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3kux n THR 243 Cb 0.67 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3kux n THR 243 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kux n GLN 244 N -1.78 4.98 -2.48 -0.78 1.13 -0.02 -4.96 117.38 113.47 3kux n GLN 244 Ca 0.03 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.11 3kux n GLN 244 Cb 0.21 -0.50 0.00 0.00 0.11 0.00 0.00 30.24 30.07 3kux n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kux n GLY 245 N 1.04 0.34 3.17 1.08 0.00 -1.10 -1.36 105.19 108.36 3kux n GLY 245 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 3kux n GLY 245 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kux s SER 246 N -1.72 0.26 -0.07 1.61 0.01 -0.13 0.69 113.70 114.36 3kux s SER 246 Ca 0.08 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 3kux s SER 246 Cb -0.00 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.55 3kux s SER 246 CO -0.01 -0.69 0.01 -0.47 0.41 0.00 0.00 173.24 172.49 3kux s TYR 247 N -3.90 0.58 -0.14 2.43 5.04 0.09 -1.20 117.35 120.26 3kux s TYR 247 Ca 0.07 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.61 3kux s TYR 247 Cb 0.06 -0.75 -0.00 0.00 0.35 0.00 0.00 41.96 41.62 3kux s TYR 247 CO -0.09 -0.30 -0.18 0.42 -1.34 0.00 0.00 175.55 174.06 3kux s ILE 248 N 1.97 2.51 -0.02 3.14 1.09 -1.04 -0.69 121.20 128.16 3kux s ILE 248 Ca 0.05 -0.83 0.05 0.00 -1.10 0.00 0.00 60.65 58.81 3kux s ILE 248 Cb -0.12 -2.03 -0.01 0.00 -1.06 0.00 0.00 42.46 39.23 3kux s ILE 248 CO -0.05 0.53 -0.18 -0.75 -0.10 0.00 0.00 174.94 174.39 3kux s LYS 249 N 0.69 1.62 0.29 2.79 2.20 -0.46 -1.63 119.74 125.24 3kux s LYS 249 Ca -0.08 -0.66 0.08 0.00 -0.36 0.00 0.00 55.97 54.95 3kux s LYS 249 Cb -0.16 -1.51 -0.04 0.00 -1.51 0.00 0.00 37.83 34.61 3kux s LYS 249 CO 0.02 0.36 0.13 -0.06 -0.36 0.00 0.00 175.35 175.43 3kux s PHE 250 N -0.30 2.85 0.00 4.03 0.08 -1.26 0.61 117.98 124.00 3kux s PHE 250 Ca 0.04 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.85 3kux s PHE 250 Cb -0.09 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3kux s PHE 250 CO 0.00 0.47 0.00 0.41 -0.10 0.00 0.00 175.22 176.00 3kux n GLY 251 N -1.11 -0.35 3.73 4.36 0.00 -1.26 -4.83 105.19 105.73 3kux n GLY 251 Ca -0.05 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 3kux n GLY 251 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kux s VAL 252 N -1.96 2.46 0.34 1.61 -7.23 -1.26 -4.56 120.40 109.80 3kux s VAL 252 Ca 0.00 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 3kux s VAL 252 Cb 0.00 -2.98 -0.11 0.00 0.56 0.00 0.00 36.38 33.86 3kux s VAL 252 CO 0.00 -0.05 1.42 -0.62 -0.31 0.00 0.00 175.10 175.54 3kux s ASP 253 N -3.88 6.54 0.00 4.85 2.15 -1.26 -4.93 116.67 120.13 3kux s ASP 253 Ca 0.40 2.87 0.27 0.00 0.43 0.00 0.00 52.55 56.53 3kux s ASP 253 Cb 0.02 -2.65 0.94 0.00 -0.30 0.00 0.00 42.92 40.93 3kux s ASP 253 CO 0.22 -0.73 1.68 -0.81 -0.17 0.00 0.00 175.17 175.36 3kux n PRO 254 N 0.87 1.26 -0.08 4.34 -0.04 -1.26 -4.37 135.00 135.71 3kux n PRO 254 Ca 0.02 -0.72 -0.12 0.00 -0.04 0.00 0.00 63.50 62.64 3kux n PRO 254 Cb 0.40 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 3kux n PRO 254 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kux h GLN 255 N 1.75 0.51 -0.57 0.54 4.20 -1.91 -3.22 115.11 116.41 3kux h GLN 255 Ca 0.00 -0.22 0.10 0.00 0.06 0.00 0.00 58.65 58.59 3kux h GLN 255 Cb 0.49 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.17 3kux h GLN 255 CO 0.00 0.77 0.11 1.49 -0.67 0.00 0.00 178.83 180.53 3kux h GLU 256 N 0.24 0.23 -0.35 1.46 4.81 -1.99 -0.36 114.58 118.62 3kux h GLU 256 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3kux h GLU 256 Cb 0.61 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3kux h GLU 256 CO 0.03 0.15 0.22 -0.44 -0.73 0.00 0.00 179.01 178.25 3kux h ASP 257 N 0.24 0.41 0.27 1.04 3.32 -1.87 -0.17 116.42 119.67 3kux h ASP 257 Ca 0.29 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3kux h ASP 257 Cb 0.43 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3kux h ASP 257 CO -0.39 0.32 -0.33 0.03 -1.72 0.00 0.00 179.24 177.15 3kux h ARG 258 N 0.47 0.11 -0.06 3.56 3.08 -1.32 0.13 114.38 120.34 3kux h ARG 258 Ca 0.13 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3kux h ARG 258 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3kux h ARG 258 CO -0.03 0.43 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.10 3kux h LEU 259 N 0.09 0.22 -0.86 3.04 3.38 -0.85 -2.21 115.31 118.12 3kux h LEU 259 Ca 0.01 -0.59 0.22 0.00 0.09 0.00 0.00 57.88 57.61 3kux h LEU 259 Cb 0.64 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 3kux h LEU 259 CO 0.05 0.77 0.22 0.11 0.09 0.00 0.00 178.44 179.68 3kux h LYS 260 N -0.32 0.21 0.00 1.13 1.57 -0.66 0.25 116.57 118.74 3kux h LYS 260 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kux h LYS 260 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3kux h LYS 260 CO 0.03 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 3kux n ALA 261 N -2.71 2.00 -0.16 3.86 0.00 0.00 -4.85 120.51 118.64 3kux n ALA 261 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3kux n ALA 261 Cb 0.64 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3kux n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kux n GLY 262 N 0.22 0.78 3.76 0.00 0.00 0.87 -5.05 105.19 105.77 3kux n GLY 262 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kux n GLY 262 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kux n GLU 263 N -2.10 2.49 -4.14 1.61 1.02 -0.84 -5.01 120.64 113.67 3kux n GLU 263 Ca 0.00 0.88 -0.30 0.00 -0.02 0.00 0.00 57.16 57.72 3kux n GLU 263 Cb 0.00 -2.63 -0.08 0.00 -0.02 0.00 0.00 31.44 28.71 3kux n GLU 263 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kux s ARG 264 N -2.20 2.54 0.45 3.49 1.81 -1.26 -4.74 118.95 119.04 3kux s ARG 264 Ca 0.56 -0.84 -0.20 0.00 -1.72 0.00 0.00 55.73 53.53 3kux s ARG 264 Cb -0.47 -2.53 -0.10 0.00 -0.45 0.00 0.00 34.95 31.39 3kux s ARG 264 CO 0.62 0.54 0.96 -0.51 -0.68 0.00 0.00 175.30 176.23 3kux s LEU 265 N -2.27 3.86 0.37 2.53 1.02 -1.26 -4.34 118.68 118.59 3kux s LEU 265 Ca 0.25 1.68 -0.01 0.00 0.02 0.00 0.00 54.13 56.07 3kux s LEU 265 Cb -0.12 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.52 3kux s LEU 265 CO 0.18 -0.44 0.60 -2.16 0.02 0.00 0.00 176.35 174.54 3kux s PRO 266 N -3.38 3.51 -0.07 1.29 0.04 -1.26 -4.84 135.00 130.29 3kux s PRO 266 Ca 0.62 -0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.51 3kux s PRO 266 Cb -0.10 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3kux s PRO 266 CO 0.18 0.08 -0.19 -0.65 0.04 0.00 0.00 177.00 176.46 3kux s GLN 267 N -4.33 2.23 0.37 4.56 -1.52 -1.26 -5.01 119.66 114.70 3kux s GLN 267 Ca 0.42 -0.67 0.19 0.00 -1.95 0.00 0.00 55.36 53.35 3kux s GLN 267 Cb -0.10 -1.81 1.18 0.00 -0.22 0.00 0.00 33.01 32.06 3kux s GLN 267 CO 0.37 0.18 1.66 0.00 -0.25 0.00 0.00 175.29 177.26 3kux h ALA 268 N 6.56 2.19 -0.49 6.09 0.00 -2.03 -1.59 119.26 129.99 3kux h ALA 268 Ca -0.28 0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 3kux h ALA 268 Cb 1.20 0.16 -0.26 0.00 0.00 0.00 0.00 17.79 18.89 3kux h ALA 268 CO 0.47 -0.78 -0.58 -0.40 0.00 0.00 0.00 179.25 177.96 3kux n ASP 269 N -4.92 3.82 -4.68 0.00 5.75 -1.26 -5.04 116.55 110.22 3kux n ASP 269 Ca 0.32 -3.81 -0.42 0.00 -0.01 0.00 0.00 54.79 50.88 3kux n ASP 269 Cb 1.09 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.69 3kux n ASP 269 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3kux s TRP 270 N -3.47 1.74 0.00 2.11 -0.11 -0.60 -2.56 118.94 116.06 3kux s TRP 270 Ca 0.47 -0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.58 3kux s TRP 270 Cb 0.40 -4.19 0.00 0.00 -1.50 0.00 0.00 33.47 28.18 3kux s TRP 270 CO -0.00 -5.13 0.00 0.41 -4.62 0.00 0.00 176.95 167.61 3kux n GLY 271 N 4.37 0.87 3.67 5.86 0.00 -1.26 -4.59 105.19 114.10 3kux n GLY 271 Ca 0.19 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.71 3kux n GLY 271 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kux n TYR 272 N -2.00 2.15 -4.03 1.61 0.53 -1.06 -0.99 117.16 113.37 3kux n TYR 272 Ca 0.00 0.26 -0.24 0.00 -1.02 0.00 0.00 57.90 56.90 3kux n TYR 272 Cb 0.00 -2.54 -0.06 0.00 -1.03 0.00 0.00 39.34 35.70 3kux n TYR 272 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3kux s ASP 273 N 2.39 4.54 -0.69 7.72 -1.08 -1.26 -4.84 116.67 123.44 3kux s ASP 273 Ca 0.88 -1.03 -0.14 0.00 -0.52 0.00 0.00 52.55 51.74 3kux s ASP 273 Cb -0.78 -0.46 0.02 0.00 -1.46 0.00 0.00 42.92 40.24 3kux s ASP 273 CO 0.48 -0.58 0.62 -1.14 0.52 0.00 0.00 175.17 175.06 3kux n ARG 275 N -1.31 -1.66 -1.78 4.34 0.63 -1.26 -4.69 116.66 110.93 3kux n ARG 275 Ca -0.00 0.96 -0.38 0.00 -0.92 0.00 0.00 57.85 57.51 3kux n ARG 275 Cb 0.64 -2.11 0.04 0.00 0.45 0.00 0.00 32.46 31.49 3kux n ARG 275 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kux s ASP 276 N -2.44 5.18 0.79 6.15 1.01 -1.26 -4.64 116.67 121.45 3kux s ASP 276 Ca 0.13 2.74 -0.05 0.00 0.71 0.00 0.00 52.55 56.09 3kux s ASP 276 Cb -0.01 -2.63 0.13 0.00 1.01 0.00 0.00 42.92 41.42 3kux s ASP 276 CO 0.88 -1.63 0.86 0.61 0.21 0.00 0.00 175.17 176.10 3kux n GLY 277 N 0.74 -0.12 3.02 0.21 0.00 -1.25 -4.77 105.19 103.02 3kux n GLY 277 Ca 0.11 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 3kux n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kux s ILE 278 N -2.64 1.02 -0.14 -0.61 1.01 -0.65 -1.21 121.20 117.98 3kux s ILE 278 Ca 0.53 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 3kux s ILE 278 Cb -0.02 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3kux s ILE 278 CO 0.36 0.32 0.12 -0.69 0.00 0.00 0.00 174.94 175.05 3kux s VAL 279 N 0.52 5.33 -0.17 2.92 1.01 0.11 -2.49 120.40 127.63 3kux s VAL 279 Ca -0.11 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3kux s VAL 279 Cb -0.14 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3kux s VAL 279 CO 0.02 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.59 3kux s THR 280 N -0.52 2.03 0.04 3.92 2.01 -0.34 -1.45 115.64 121.33 3kux s THR 280 Ca 0.12 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.28 3kux s THR 280 Cb -0.12 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 3kux s THR 280 CO 0.02 0.54 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.48 3kux s LEU 281 N 1.19 2.15 -0.39 4.42 1.43 -0.59 -0.95 118.68 125.94 3kux s LEU 281 Ca 0.02 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 3kux s LEU 281 Cb -0.14 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3kux s LEU 281 CO -0.10 0.24 0.34 -0.55 0.23 0.00 0.00 176.35 176.51 3kux s SER 282 N -1.13 6.13 -0.13 2.29 0.15 -0.47 -1.08 113.70 119.47 3kux s SER 282 Ca 0.10 -0.66 -0.13 0.00 0.70 0.00 0.00 55.95 55.96 3kux s SER 282 Cb -0.10 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3kux s SER 282 CO 0.02 -0.43 -0.24 1.57 1.20 0.00 0.00 173.24 175.35 3kux n HIS 283 N 5.30 0.01 -2.97 3.44 -0.00 -0.68 -4.80 115.22 115.53 3kux n HIS 283 Ca -0.10 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.85 3kux n HIS 283 Cb 0.48 -0.35 -0.03 0.00 -0.12 0.00 0.00 29.99 29.97 3kux n HIS 283 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3kux n ASP 284 N -3.87 3.13 -0.47 0.26 8.00 -1.26 -4.82 116.55 117.52 3kux n ASP 284 Ca -0.10 -3.41 -0.06 0.00 0.71 0.00 0.00 54.79 51.93 3kux n ASP 284 Cb 0.36 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3kux n ASP 284 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kux n ASN 285 N -0.08 -4.95 -4.30 -2.24 4.13 -1.26 -4.98 115.26 101.57 3kux n ASN 285 Ca 0.28 0.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.39 3kux n ASN 285 Cb 0.53 -2.99 -0.16 0.00 -1.54 0.00 0.00 39.78 35.62 3kux n ASN 285 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kux s VAL 286 N -1.82 1.99 -0.29 2.41 1.01 -1.26 -5.11 120.40 117.32 3kux s VAL 286 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 3kux s VAL 286 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3kux s VAL 286 CO 0.00 0.55 0.33 -0.76 0.00 0.00 0.00 175.10 175.23 3kux s LEU 287 N -0.61 4.15 0.37 3.92 1.43 -1.26 -1.68 118.68 124.99 3kux s LEU 287 Ca 0.10 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3kux s LEU 287 Cb -0.10 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 3kux s LEU 287 CO -0.01 -0.20 0.34 -0.89 0.23 0.00 0.00 176.35 175.82 3kux s THR 288 N 1.99 3.26 -0.07 5.49 2.01 -0.24 -4.95 115.64 123.13 3kux s THR 288 Ca 0.12 -1.33 -0.21 0.00 0.31 0.00 0.00 61.69 60.59 3kux s THR 288 Cb -0.16 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.27 3kux s THR 288 CO 0.11 -0.11 0.49 -1.83 -0.69 0.00 0.00 174.62 172.59 3kux s GLU 289 N -4.06 0.79 0.15 4.92 -1.05 -1.26 -1.54 118.70 116.64 3kux s GLU 289 Ca 0.44 0.19 -0.19 0.00 -0.15 0.00 0.00 54.97 55.26 3kux s GLU 289 Cb -0.05 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.05 3kux s GLU 289 CO 0.27 -0.21 0.49 -1.59 0.95 0.00 0.00 175.26 175.17 3kux s LYS 290 N -0.89 1.19 0.27 -4.83 -2.85 -0.53 -4.99 119.74 107.11 3kux s LYS 290 Ca -0.09 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 53.93 3kux s LYS 290 Cb -0.03 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.16 3kux s LYS 290 CO 0.05 -0.49 1.12 -1.25 0.10 0.00 0.00 175.35 174.88 3kux s PRO 291 N -3.80 4.61 -0.27 1.78 0.04 -1.26 0.10 135.00 136.20 3kux s PRO 291 Ca 0.03 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3kux s PRO 291 Cb 0.00 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 3kux s PRO 291 CO -0.11 0.15 0.18 -1.17 0.04 0.00 0.00 177.00 176.10 3kux s LEU 292 N -1.31 4.04 -0.20 -3.56 2.96 -0.35 -4.83 118.68 115.42 3kux s LEU 292 Ca 0.46 0.02 -0.38 0.00 -0.22 0.00 0.00 54.13 54.01 3kux s LEU 292 Cb -0.32 -2.12 -0.14 0.00 0.50 0.00 0.00 46.19 44.11 3kux s LEU 292 CO 0.41 -0.02 1.81 -0.11 -1.32 0.00 0.00 176.35 177.11 3kux n LEU 293 N 4.89 2.84 -4.63 -0.68 7.94 -1.26 -3.96 117.00 122.14 3kux n LEU 293 Ca -0.14 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.37 3kux n LEU 293 Cb 0.52 -1.24 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 3kux n LEU 293 CO 0.33 -0.27 0.67 -0.89 -1.11 0.00 0.00 177.39 176.12 3kux s THR 294 N 3.80 4.77 0.48 1.96 2.01 -1.26 -4.99 115.64 122.40 3kux s THR 294 Ca 0.96 1.41 -0.24 0.00 0.31 0.00 0.00 61.69 64.14 3kux s THR 294 Cb -0.92 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 67.34 3kux s THR 294 CO 0.60 -0.21 1.36 0.18 -0.69 0.00 0.00 174.62 175.85 3kux n LEU 295 N 6.22 4.92 -4.76 4.42 4.77 -1.26 -4.64 117.00 126.66 3kux n LEU 295 Ca 0.06 1.07 -0.38 0.00 -0.03 0.00 0.00 56.01 56.73 3kux n LEU 295 Cb 0.48 -1.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.01 3kux n LEU 295 CO 0.50 -0.45 0.88 -2.84 -1.33 0.00 0.00 177.39 174.15 3kux s PRO 296 N -2.52 3.59 0.75 3.23 0.02 -1.26 -4.50 135.00 134.31 3kux s PRO 296 Ca 0.65 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 63.44 3kux s PRO 296 Cb -0.45 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 31.74 3kux s PRO 296 CO 0.55 -0.73 1.22 0.20 -0.33 0.00 0.00 177.00 177.91 3kux s GLY 297 N -1.22 2.33 -0.43 0.52 0.00 -0.16 -4.57 107.32 103.79 3kux s GLY 297 Ca 0.65 0.91 0.08 0.00 0.00 0.00 0.00 44.72 46.36 3kux s GLY 297 CO 0.39 1.32 0.92 -2.01 0.00 0.00 0.00 173.10 173.72 3kux n ASN 298 N -2.88 -1.24 -0.16 1.64 5.15 0.66 -4.33 115.26 114.10 3kux n ASN 298 Ca 0.14 -3.35 0.02 0.00 -0.60 0.00 0.00 54.58 50.78 3kux n ASN 298 Cb 0.50 0.92 0.30 0.00 -0.53 0.00 0.00 39.78 40.97 3kux n ASN 298 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3kux h TYR 299 N 3.23 0.83 -0.40 1.20 0.05 -1.88 -1.97 116.97 118.02 3kux h TYR 299 Ca -0.03 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.89 3kux h TYR 299 Cb 1.03 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 3kux h TYR 299 CO 0.33 0.52 0.41 -1.35 -1.05 0.00 0.00 178.16 177.02 3kux h PRO 300 N 0.89 0.00 -0.54 4.88 0.11 -1.93 0.03 132.00 135.44 3kux h PRO 300 Ca 0.25 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.51 3kux h PRO 300 Cb -0.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3kux h PRO 300 CO -0.06 0.00 0.39 0.00 -0.21 0.00 0.00 178.00 178.13 3kux h ALA 301 N 1.55 2.50 0.64 -0.75 0.00 -1.78 -1.92 119.26 119.51 3kux h ALA 301 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kux h ALA 301 Cb 1.02 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kux h ALA 301 CO -0.00 -0.67 -0.31 -0.92 0.00 0.00 0.00 179.25 177.35 3kux h TYR 302 N 0.00 -0.79 -0.40 0.00 3.20 -1.18 -0.61 116.97 117.19 3kux h TYR 302 Ca 0.26 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 3kux h TYR 302 Cb 1.04 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 3kux h TYR 302 CO 0.00 -0.45 -0.15 1.88 -1.64 0.00 0.00 178.16 177.80 3kux h TYR 303 N -1.06 0.80 -0.27 -3.82 0.05 -1.66 0.27 116.97 111.27 3kux h TYR 303 Ca -0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 3kux h TYR 303 Cb 0.70 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3kux h TYR 303 CO -0.00 0.83 0.14 0.00 -1.05 0.00 0.00 178.16 178.08 3kux h ALA 304 N 1.19 1.73 -0.23 3.88 0.00 -1.39 0.34 119.26 124.77 3kux h ALA 304 Ca 0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3kux h ALA 304 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kux h ALA 304 CO 0.04 0.23 -0.64 0.78 0.00 0.00 0.00 179.25 179.66 3kux h GLY 305 N 0.46 0.91 0.88 0.00 0.00 0.42 -1.94 103.07 103.80 3kux h GLY 305 Ca 0.10 -1.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.27 3kux h GLY 305 CO -0.02 1.02 -0.17 -2.22 0.00 0.00 0.00 176.54 175.16 3kux h ILE 306 N 0.61 0.66 -0.71 2.60 1.08 0.40 -0.99 117.51 121.16 3kux h ILE 306 Ca -0.01 -0.23 0.07 0.00 -0.39 0.00 0.00 64.86 64.29 3kux h ILE 306 Cb 1.25 0.79 -0.09 0.00 -3.07 0.00 0.00 36.82 35.70 3kux h ILE 306 CO 0.14 0.05 -0.46 -0.09 -0.69 0.00 0.00 178.15 177.09 3kux h ARG 307 N -0.60 -0.06 -0.01 2.37 2.43 -0.39 -0.55 114.38 117.57 3kux h ARG 307 Ca -0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3kux h ARG 307 Cb 0.44 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3kux h ARG 307 CO 0.08 -0.04 -0.07 -0.44 -1.51 0.00 0.00 179.97 177.99 3kux h ASP 308 N -0.06 0.01 -0.23 -3.80 3.32 -1.21 -2.08 116.42 112.39 3kux h ASP 308 Ca 0.11 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3kux h ASP 308 Cb 0.35 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kux h ASP 308 CO -0.70 0.09 -0.33 0.00 -1.72 0.00 0.00 179.24 176.58 3kux h ALA 309 N 1.91 0.34 -0.24 3.45 0.00 -0.05 0.15 119.26 124.84 3kux h ALA 309 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.55 3kux h ALA 309 Cb 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3kux h ALA 309 CO 0.01 0.39 -0.18 0.82 0.00 0.00 0.00 179.25 180.29 3kux h ILE 310 N 0.32 0.50 0.00 0.00 1.08 -0.46 0.58 117.51 119.53 3kux h ILE 310 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3kux h ILE 310 Cb 0.91 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 3kux h ILE 310 CO 0.08 0.00 0.00 0.79 -0.69 0.00 0.00 178.15 178.33 3kux n TRP 311 N -5.34 0.00 -1.01 1.37 8.01 -0.99 -4.83 117.44 114.66 3kux n TRP 311 Ca -0.01 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.18 3kux n TRP 311 Cb 0.25 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.31 29.44 3kux n TRP 311 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kux n GLY 312 N -0.03 0.47 0.15 6.99 0.00 0.19 -4.47 105.19 108.49 3kux n GLY 312 Ca 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 3kux n GLY 312 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kux h THR 313 N 0.00 1.40 -4.03 2.61 2.02 -0.89 -3.49 112.91 110.53 3kux h THR 313 Ca -0.01 -2.56 -0.13 0.00 0.77 0.00 0.00 66.41 64.48 3kux h THR 313 Cb 0.08 2.56 -0.12 0.00 -1.74 0.00 0.00 68.15 68.94 3kux h THR 313 CO 0.01 0.76 -0.34 0.00 0.37 0.00 0.00 175.52 176.32 3kux s ALA 314 N -3.11 0.29 0.34 6.16 0.00 -1.08 -4.99 121.76 119.38 3kux s ALA 314 Ca -0.06 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.46 3kux s ALA 314 Cb 0.08 1.11 -0.10 0.00 0.00 0.00 0.00 23.12 24.21 3kux s ALA 314 CO 0.88 -0.71 1.26 -2.14 0.00 0.00 0.00 175.76 175.06 3kux s PRO 315 N -4.05 4.33 -0.17 0.00 0.02 -1.26 -3.82 135.00 130.04 3kux s PRO 315 Ca 0.26 2.12 -0.40 0.00 0.02 0.00 0.00 61.00 63.00 3kux s PRO 315 Cb 0.03 -3.02 -0.17 0.00 0.02 0.00 0.00 34.50 31.36 3kux s PRO 315 CO 0.07 -0.17 1.57 -1.71 -0.33 0.00 0.00 177.00 176.43 3kux n ASN 316 N 0.72 1.92 -0.08 2.53 2.85 -1.26 -4.77 115.26 117.17 3kux n ASN 316 Ca 0.01 1.10 0.02 0.00 -0.11 0.00 0.00 54.58 55.60 3kux n ASN 316 Cb 0.43 -1.12 0.35 0.00 1.24 0.00 0.00 39.78 40.68 3kux n ASN 316 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kux h PRO 317 N 5.97 0.71 -2.14 1.20 0.11 -1.90 -3.36 132.00 132.59 3kux h PRO 317 Ca -0.47 -0.05 -0.39 0.00 0.11 0.00 0.00 66.00 65.20 3kux h PRO 317 Cb 1.33 -0.16 -0.33 0.00 0.11 0.00 0.00 31.00 31.96 3kux h PRO 317 CO 0.89 0.48 -0.70 0.08 -0.21 0.00 0.00 178.00 178.54 3kux s VAL 318 N -5.59 -0.28 0.52 3.15 1.01 -1.26 -5.09 120.40 112.85 3kux s VAL 318 Ca -0.09 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 3kux s VAL 318 Cb 0.17 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 3kux s VAL 318 CO 0.75 -0.61 1.31 -2.84 0.00 0.00 0.00 175.10 173.71 3kux s PRO 319 N 1.70 3.31 0.24 2.72 0.02 -1.26 -2.81 135.00 138.93 3kux s PRO 319 Ca 0.14 2.12 -0.04 0.00 0.02 0.00 0.00 61.00 63.24 3kux s PRO 319 Cb -0.16 -2.31 0.45 0.00 0.02 0.00 0.00 34.50 32.51 3kux s PRO 319 CO -0.14 -1.02 1.72 0.00 -0.33 0.00 0.00 177.00 177.24 3kux h ALA 320 N 1.63 1.03 -0.86 -1.55 0.00 -1.93 -1.18 119.26 116.40 3kux h ALA 320 Ca -0.50 0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.70 3kux h ALA 320 Cb 1.29 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.02 3kux h ALA 320 CO 0.58 -0.24 -0.21 2.41 0.00 0.00 0.00 179.25 181.80 3kux n THR 321 N -5.03 -0.36 0.09 0.00 -1.04 -1.26 -0.49 114.28 106.19 3kux n THR 321 Ca 0.14 1.98 -0.06 0.00 -2.04 0.00 0.00 64.05 64.06 3kux n THR 321 Cb 0.42 -2.74 0.02 0.00 -1.82 0.00 0.00 70.33 66.20 3kux n THR 321 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3kux h GLU 322 N 0.00 0.11 -0.41 -2.82 5.08 -1.58 -2.67 114.58 112.28 3kux h GLU 322 Ca 0.42 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3kux h GLU 322 Cb 0.65 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3kux h GLU 322 CO -0.89 0.87 -0.09 0.00 -1.00 0.00 0.00 179.01 177.90 3kux h ALA 323 N 1.09 0.56 -0.90 3.43 0.00 -0.56 -2.70 119.26 120.18 3kux h ALA 323 Ca -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kux h ALA 323 Cb 1.45 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3kux h ALA 323 CO 0.12 0.43 0.55 0.82 0.00 0.00 0.00 179.25 181.17 3kux h ILE 324 N 0.60 1.25 -0.89 0.00 2.04 -0.74 -2.09 117.51 117.68 3kux h ILE 324 Ca 0.10 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3kux h ILE 324 Cb 0.62 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3kux h ILE 324 CO 0.04 0.25 0.58 0.11 0.00 0.00 0.00 178.15 179.14 3kux h LYS 325 N 1.24 1.17 -1.41 2.37 1.57 -1.38 0.07 116.57 120.20 3kux h LYS 325 Ca 0.32 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kux h LYS 325 Cb -0.07 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 31.98 3kux h LYS 325 CO -0.06 0.78 0.00 0.28 -0.57 0.00 0.00 179.45 179.88 3kux n VAL 326 N -4.46 0.28 0.00 0.50 0.31 -0.78 -2.28 118.33 111.89 3kux n VAL 326 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3kux n VAL 326 Cb 0.02 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 3kux n VAL 326 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kux n GLU 328 N 0.74 0.00 0.14 5.55 1.02 0.01 -1.38 120.64 126.72 3kux n GLU 328 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kux n GLU 328 Cb 0.15 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 31.82 3kux n GLU 328 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kux h LEU 329 N 0.00 0.09 -0.28 -4.62 3.38 -1.73 -0.11 115.31 112.04 3kux h LEU 329 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kux h LEU 329 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kux h LEU 329 CO 0.00 0.55 0.16 0.40 0.09 0.00 0.00 178.44 179.64 3kux h ILE 330 N 0.07 1.12 -0.51 1.22 1.08 -1.51 0.11 117.51 119.08 3kux h ILE 330 Ca 0.00 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 64.09 3kux h ILE 330 Cb 0.86 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 3kux h ILE 330 CO 0.06 0.12 0.05 -0.33 -0.69 0.00 0.00 178.15 177.37 3kux h GLU 331 N 0.34 0.87 -0.11 2.37 5.08 -1.79 -2.67 114.58 118.67 3kux h GLU 331 Ca 0.10 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3kux h GLU 331 Cb 0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kux h GLU 331 CO -0.02 0.87 -0.02 1.25 -1.00 0.00 0.00 179.01 180.09 3kux h LEU 332 N 0.75 0.14 -0.30 1.33 5.85 -0.71 -1.03 115.31 121.34 3kux h LEU 332 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kux h LEU 332 Cb 0.45 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3kux h LEU 332 CO 0.02 0.20 0.13 1.23 -0.34 0.00 0.00 178.44 179.67 3kux h GLY 333 N 0.40 0.47 0.78 3.75 0.00 -0.46 0.17 103.07 108.17 3kux h GLY 333 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3kux h GLY 333 CO 0.00 0.23 0.06 -2.22 0.00 0.00 0.00 176.54 174.61 3kux h ILE 334 N 0.34 0.92 0.09 2.60 1.08 -1.04 0.34 117.51 121.83 3kux h ILE 334 Ca 0.10 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3kux h ILE 334 Cb 0.15 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 3kux h ILE 334 CO -0.01 0.03 -0.04 0.00 -0.69 0.00 0.00 178.15 177.43 3kux h ALA 335 N 1.15 -0.12 -0.97 1.87 0.00 -1.07 -0.85 119.26 119.28 3kux h ALA 335 Ca 0.10 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.09 3kux h ALA 335 Cb 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3kux h ALA 335 CO -0.12 -0.54 0.59 1.03 0.00 0.00 0.00 179.25 180.21 3kux h SER 336 N -0.18 0.84 -0.50 0.00 0.87 -0.45 -0.17 113.55 113.97 3kux h SER 336 Ca -0.01 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 3kux h SER 336 Cb 0.14 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3kux h SER 336 CO 0.02 0.42 -0.19 -0.78 -0.53 0.00 0.00 176.83 175.78 3kux h ASP 337 N 0.90 1.03 -0.74 6.23 3.58 -0.61 0.41 116.42 127.22 3kux h ASP 337 Ca 0.49 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3kux h ASP 337 Cb 0.54 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3kux h ASP 337 CO -0.29 1.18 0.41 1.56 -2.88 0.00 0.00 179.24 179.22 3kux h GLN 338 N 0.87 1.04 -0.00 0.28 4.20 0.37 -2.67 115.11 119.19 3kux h GLN 338 Ca 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kux h GLN 338 Cb 0.77 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3kux h GLN 338 CO 0.06 0.76 -0.62 1.04 -0.67 0.00 0.00 178.83 179.41 3kux n GLN 339 N -4.36 0.34 -3.96 1.46 6.02 -0.36 -4.96 117.38 111.57 3kux n GLN 339 Ca 0.08 -0.24 -0.27 0.00 -0.01 0.00 0.00 57.00 56.56 3kux n GLN 339 Cb 0.10 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 3kux n GLN 339 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kux n LYS 340 N -1.12 -3.63 -4.20 -1.09 4.76 0.13 -4.98 118.16 108.02 3kux n LYS 340 Ca 0.07 0.44 -0.18 0.00 -2.87 0.00 0.00 58.31 55.76 3kux n LYS 340 Cb 0.36 -4.75 -0.12 0.00 -1.84 0.00 0.00 35.03 28.68 3kux n LYS 340 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kux s LYS 341 N -6.54 0.91 -0.42 1.97 1.02 -0.69 -5.04 119.74 110.96 3kux s LYS 341 Ca 0.15 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 3kux s LYS 341 Cb -0.08 -0.89 0.02 0.00 -0.52 0.00 0.00 37.83 36.37 3kux s LYS 341 CO 0.88 0.19 1.24 0.00 -0.92 0.00 0.00 175.35 176.74 3kux s ALA 342 N -1.60 3.18 0.13 5.17 0.00 -1.26 -4.51 121.76 122.87 3kux s ALA 342 Ca 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 3kux s ALA 342 Cb -0.08 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 19.11 3kux s ALA 342 CO 0.03 -2.16 0.39 -0.51 0.00 0.00 0.00 175.76 173.50 3kux s LEU 343 N 4.68 4.28 0.23 0.00 1.43 -0.47 -4.80 118.68 124.04 3kux s LEU 343 Ca 0.53 0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 3kux s LEU 343 Cb -0.11 -3.24 -0.08 0.00 0.03 0.00 0.00 46.19 42.78 3kux s LEU 343 CO 0.29 0.08 0.76 -2.16 0.23 0.00 0.00 176.35 175.54 3kux s PRO 344 N -2.49 4.31 0.11 1.29 0.04 -1.26 -0.24 135.00 136.75 3kux s PRO 344 Ca 0.39 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 3kux s PRO 344 Cb -0.12 -2.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 3kux s PRO 344 CO 0.23 0.38 1.02 0.42 0.04 0.00 0.00 177.00 179.09 3kux s ILE 345 N -1.52 4.36 0.29 0.56 1.09 -0.81 -4.91 121.20 120.25 3kux s ILE 345 Ca 0.44 1.91 0.05 0.00 -1.10 0.00 0.00 60.65 61.94 3kux s ILE 345 Cb -0.17 -4.22 -0.02 0.00 -1.06 0.00 0.00 42.46 36.99 3kux s ILE 345 CO 0.21 0.27 0.17 -0.38 -0.10 0.00 0.00 174.94 175.11 3kux n ILE 346 N 2.96 0.00 -3.43 2.92 5.41 -1.26 -4.97 119.36 120.98 3kux n ILE 346 Ca 0.04 -1.89 -0.18 0.00 1.00 0.00 0.00 62.75 61.72 3kux n ILE 346 Cb 0.48 0.81 0.08 0.00 -0.71 0.00 0.00 39.64 40.30 3kux n ILE 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kux n ALA 347 N -1.34 -2.15 -2.53 -1.39 0.00 -1.26 -4.98 120.51 106.86 3kux n ALA 347 Ca -0.11 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 3kux n ALA 347 Cb 0.48 -3.25 -0.10 0.00 0.00 0.00 0.00 19.45 16.57 3kux n ALA 347 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kux s LYS 348 N -5.23 3.46 0.00 0.00 1.02 -1.26 -5.25 119.74 112.49 3kux s LYS 348 Ca 0.13 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.45 3kux s LYS 348 Cb -0.02 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 3kux s LYS 348 CO 0.75 -0.46 0.00 0.09 -0.92 0.00 0.00 175.35 174.80