#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpg s ALA 2 N 0.00 1.11 -0.32 -5.12 0.00 -1.26 -5.07 121.76 111.10 3kpg s ALA 2 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 3kpg s ALA 2 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3kpg s ALA 2 CO 0.00 0.08 0.12 -1.58 0.00 0.00 0.00 175.76 174.38 3kpg s HIS 3 N -1.66 3.20 -0.29 0.00 2.46 -1.26 -2.14 115.29 115.59 3kpg s HIS 3 Ca -0.00 -1.04 -0.10 0.00 0.47 0.00 0.00 55.06 54.39 3kpg s HIS 3 Cb -0.08 -2.31 -0.02 0.00 -0.13 0.00 0.00 32.58 30.04 3kpg s HIS 3 CO 0.02 -0.61 0.15 0.08 -2.47 0.00 0.00 174.74 171.90 3kpg s VAL 4 N 1.50 4.74 -0.17 0.89 1.01 0.22 -0.57 120.40 128.01 3kpg s VAL 4 Ca 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3kpg s VAL 4 Cb -0.18 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3kpg s VAL 4 CO 0.04 0.17 0.07 -0.69 0.00 0.00 0.00 175.10 174.69 3kpg s VAL 5 N 1.66 4.85 -0.25 2.92 1.01 0.12 -1.52 120.40 129.19 3kpg s VAL 5 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3kpg s VAL 5 Cb -0.16 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3kpg s VAL 5 CO 0.07 0.48 0.02 -0.63 0.00 0.00 0.00 175.10 175.03 3kpg s ILE 6 N 0.22 3.74 -0.45 2.22 1.01 0.58 -0.60 121.20 127.92 3kpg s ILE 6 Ca 0.05 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 3kpg s ILE 6 Cb -0.12 -2.78 0.05 0.00 0.01 0.00 0.00 42.46 39.62 3kpg s ILE 6 CO 0.00 0.30 0.38 -0.22 0.00 0.00 0.00 174.94 175.41 3kpg s LEU 7 N 1.51 5.36 0.00 2.97 0.20 -0.12 -0.89 118.68 127.70 3kpg s LEU 7 Ca 0.05 -1.11 0.00 0.00 0.69 0.00 0.00 54.13 53.76 3kpg s LEU 7 Cb -0.15 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 3kpg s LEU 7 CO -0.00 -0.59 0.00 0.61 -0.29 0.00 0.00 176.35 176.08 3kpg n GLY 8 N 5.18 1.99 2.86 7.98 0.00 0.18 -0.18 105.19 123.19 3kpg n GLY 8 Ca -0.11 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 3kpg n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpg n ALA 9 N 1.88 5.17 -2.74 4.61 0.00 -1.26 -3.89 120.51 124.28 3kpg n ALA 9 Ca 0.00 -4.77 0.00 0.00 0.00 0.00 0.00 53.44 48.67 3kpg n ALA 9 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.39 3kpg n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kpg n GLY 10 N 0.95 4.24 0.36 0.00 0.00 -1.26 -4.59 105.19 104.88 3kpg n GLY 10 Ca 0.30 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.53 3kpg n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kpg h THR 11 N 0.00 1.14 0.08 2.61 2.02 -1.93 -1.98 112.91 114.85 3kpg h THR 11 Ca 0.00 -0.35 -0.31 0.00 0.77 0.00 0.00 66.41 66.52 3kpg h THR 11 Cb 0.00 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 3kpg h THR 11 CO 0.00 0.19 -1.68 1.23 0.37 0.00 0.00 175.52 175.63 3kpg h GLY 12 N 1.03 0.21 1.19 2.16 0.00 -1.92 -3.40 103.07 102.33 3kpg h GLY 12 Ca 0.33 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3kpg h GLY 12 CO -0.10 0.46 -0.18 -1.33 0.00 0.00 0.00 176.54 175.40 3kpg h GLY 13 N 0.26 1.01 0.87 4.60 0.00 -1.65 -1.73 103.07 106.42 3kpg h GLY 13 Ca -0.38 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.07 3kpg h GLY 13 CO -0.01 0.78 -0.26 -0.33 0.00 0.00 0.00 176.54 176.71 3kpg h MET 14 N 0.82 -0.71 -0.97 4.80 2.86 -1.53 -1.54 114.93 118.66 3kpg h MET 14 Ca 0.12 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.90 3kpg h MET 14 Cb 0.73 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.48 3kpg h MET 14 CO 0.06 -0.42 0.62 -1.35 1.06 0.00 0.00 176.91 176.88 3kpg h PRO 15 N -0.87 1.00 -0.88 -0.22 0.11 -1.77 -1.76 132.00 127.61 3kpg h PRO 15 Ca -0.07 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 66.04 3kpg h PRO 15 Cb 0.62 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 3kpg h PRO 15 CO 0.12 0.66 0.57 0.00 -0.21 0.00 0.00 178.00 179.15 3kpg h ALA 16 N 1.51 1.56 0.05 -0.75 0.00 -1.06 -0.07 119.26 120.51 3kpg h ALA 16 Ca 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3kpg h ALA 16 Cb 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kpg h ALA 16 CO -0.20 0.30 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 3kpg h ALA 17 N 1.53 -0.06 -0.17 0.00 0.00 -0.36 0.46 119.26 120.65 3kpg h ALA 17 Ca 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3kpg h ALA 17 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kpg h ALA 17 CO -0.14 -0.45 0.09 1.88 0.00 0.00 0.00 179.25 180.62 3kpg h TYR 18 N -0.23 0.24 -0.41 0.00 0.05 -1.29 -1.74 116.97 113.59 3kpg h TYR 18 Ca -0.01 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.69 3kpg h TYR 18 Cb 0.21 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 3kpg h TYR 18 CO -0.02 0.26 -0.05 0.93 -1.05 0.00 0.00 178.16 178.24 3kpg h GLU 19 N 0.16 0.68 -0.17 4.88 5.08 -1.00 -0.11 114.58 124.09 3kpg h GLU 19 Ca 0.06 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3kpg h GLU 19 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3kpg h GLU 19 CO -0.01 0.73 0.04 1.98 -1.00 0.00 0.00 179.01 180.75 3kpg h MET 20 N 0.63 0.28 -0.49 2.33 4.05 -0.75 -1.02 114.93 119.96 3kpg h MET 20 Ca 0.12 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 3kpg h MET 20 Cb 0.46 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 3kpg h MET 20 CO 0.02 0.42 0.13 -0.22 0.23 0.00 0.00 176.91 177.50 3kpg h LYS 21 N 0.09 0.78 -0.75 0.39 1.63 -1.07 -0.77 116.57 116.86 3kpg h LYS 21 Ca 0.05 -0.18 0.06 0.00 -0.85 0.00 0.00 60.65 59.73 3kpg h LYS 21 Cb 0.27 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 3kpg h LYS 21 CO 0.00 0.75 0.45 1.49 -3.45 0.00 0.00 179.45 178.68 3kpg h GLU 22 N 0.67 0.80 -0.02 1.90 4.57 -0.94 0.60 114.58 122.16 3kpg h GLU 22 Ca 0.16 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.09 3kpg h GLU 22 Cb 0.31 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3kpg h GLU 22 CO -0.00 0.53 -0.85 0.00 -1.18 0.00 0.00 179.01 177.51 3kpg h ALA 23 N 1.36 0.50 0.15 2.92 0.00 -0.86 -3.34 119.26 120.00 3kpg h ALA 23 Ca 0.33 -0.68 -0.35 0.00 0.00 0.00 0.00 54.91 54.20 3kpg h ALA 23 Cb 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kpg h ALA 23 CO -0.17 0.84 -1.84 -0.07 0.00 0.00 0.00 179.25 178.00 3kpg h LEU 24 N 0.19 0.50 0.00 0.00 4.07 -0.95 -3.51 115.31 115.61 3kpg h LEU 24 Ca -0.05 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 56.97 3kpg h LEU 24 Cb 1.46 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3kpg h LEU 24 CO 0.14 1.81 0.00 0.61 -1.08 0.00 0.00 178.44 179.92 3kpg n GLY 25 N 1.91 -1.96 0.12 0.83 0.00 0.18 -4.30 105.19 101.97 3kpg n GLY 25 Ca -0.28 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.28 3kpg n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kpg n SER 26 N 0.67 0.63 0.22 1.61 3.41 -1.26 -2.92 113.62 115.98 3kpg n SER 26 Ca 0.00 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.34 3kpg n SER 26 Cb 0.00 -0.78 0.52 0.00 -0.26 0.00 0.00 64.21 63.69 3kpg n SER 26 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kpg h GLY 27 N 2.45 0.00 -1.82 5.00 0.00 -1.98 -3.45 103.07 103.26 3kpg h GLY 27 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3kpg h GLY 27 CO 0.00 0.00 -0.63 0.30 0.00 0.00 0.00 176.54 176.21 3kpg s HIS 28 N -3.99 2.38 -0.21 5.60 4.02 -1.15 -4.65 115.29 117.29 3kpg s HIS 28 Ca -0.02 -0.66 -0.04 0.00 1.02 0.00 0.00 55.06 55.35 3kpg s HIS 28 Cb 0.12 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.58 30.10 3kpg s HIS 28 CO 0.64 0.42 -0.02 -2.00 1.02 0.00 0.00 174.74 174.80 3kpg s GLU 29 N -3.71 3.52 -0.17 1.40 2.12 -0.91 -4.87 118.70 116.08 3kpg s GLU 29 Ca 0.34 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 55.09 3kpg s GLU 29 Cb 0.07 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 3kpg s GLU 29 CO 0.17 -0.07 -0.10 0.08 -0.54 0.00 0.00 175.26 174.80 3kpg s VAL 30 N 1.19 3.09 -0.09 3.70 1.01 -1.26 -0.61 120.40 127.43 3kpg s VAL 30 Ca 0.03 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3kpg s VAL 30 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3kpg s VAL 30 CO 0.00 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.51 3kpg s THR 31 N 0.89 1.70 -0.21 3.92 2.01 -0.58 -1.36 115.64 122.01 3kpg s THR 31 Ca -0.03 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 3kpg s THR 31 Cb -0.15 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 3kpg s THR 31 CO 0.00 0.48 0.07 -0.22 -0.69 0.00 0.00 174.62 174.26 3kpg s LEU 32 N 0.47 3.67 -0.12 4.42 2.96 0.15 -0.30 118.68 129.92 3kpg s LEU 32 Ca -0.17 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3kpg s LEU 32 Cb -0.17 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3kpg s LEU 32 CO 0.07 0.09 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.36 3kpg s ILE 33 N 0.87 1.88 0.00 6.68 1.01 -0.07 -0.99 121.20 130.59 3kpg s ILE 33 Ca 0.04 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3kpg s ILE 33 Cb -0.14 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.68 3kpg s ILE 33 CO 0.02 0.52 0.25 -0.55 0.00 0.00 0.00 174.94 175.18 3kpg s SER 34 N 0.77 -0.09 0.43 3.58 0.15 -0.96 0.49 113.70 118.07 3kpg s SER 34 Ca -0.09 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.61 3kpg s SER 34 Cb -0.16 0.28 0.92 0.00 -1.71 0.00 0.00 66.02 65.36 3kpg s SER 34 CO 0.00 -0.46 1.95 0.00 1.20 0.00 0.00 173.24 175.93 3kpg h ALA 35 N 3.84 1.62 -2.93 5.45 0.00 -1.88 -0.30 119.26 125.05 3kpg h ALA 35 Ca -0.31 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 3kpg h ALA 35 Cb 1.19 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3kpg h ALA 35 CO 0.42 0.29 -0.73 -0.80 0.00 0.00 0.00 179.25 178.43 3kpg s ASN 36 N -6.98 4.16 0.00 0.00 0.02 -1.26 -4.52 114.94 106.36 3kpg s ASN 36 Ca -0.04 -0.63 0.16 0.00 -1.02 0.00 0.00 52.86 51.33 3kpg s ASN 36 Cb 0.15 -0.66 0.53 0.00 0.02 0.00 0.00 41.25 41.29 3kpg s ASN 36 CO 0.71 0.09 1.41 -0.90 0.02 0.00 0.00 177.10 178.43 3kpg n ASP 37 N -0.03 1.85 -4.14 -1.22 5.68 -1.26 -4.84 116.55 112.59 3kpg n ASP 37 Ca -0.10 -1.86 -0.16 0.00 -0.50 0.00 0.00 54.79 52.16 3kpg n ASP 37 Cb 0.56 -0.18 -0.12 0.00 -1.14 0.00 0.00 41.12 40.24 3kpg n ASP 37 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 3kpg s TYR 38 N -1.64 1.03 0.12 2.11 -0.85 -1.26 -1.70 117.35 115.16 3kpg s TYR 38 Ca 0.29 -0.48 -0.10 0.00 -0.52 0.00 0.00 57.07 56.25 3kpg s TYR 38 Cb 0.15 -0.59 -0.06 0.00 0.38 0.00 0.00 41.96 41.84 3kpg s TYR 38 CO 0.22 0.01 0.45 0.12 -1.52 0.00 0.00 175.55 174.82 3kpg s PHE 39 N -1.37 3.55 0.00 -3.49 5.36 0.32 -4.90 117.98 117.46 3kpg s PHE 39 Ca -0.04 0.83 0.03 0.00 -0.96 0.00 0.00 56.93 56.79 3kpg s PHE 39 Cb -0.10 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.38 3kpg s PHE 39 CO 0.02 0.46 -0.10 1.14 -1.46 0.00 0.00 175.22 175.28 3kpg s GLN 40 N -2.12 0.77 -0.82 10.12 -2.07 -1.26 -1.76 119.66 122.51 3kpg s GLN 40 Ca 0.37 -0.42 -0.22 0.00 -1.82 0.00 0.00 55.36 53.27 3kpg s GLN 40 Cb -0.14 -0.74 0.08 0.00 -1.09 0.00 0.00 33.01 31.13 3kpg s GLN 40 CO 0.19 0.20 1.14 0.12 -1.32 0.00 0.00 175.29 175.62 3kpg s PHE 41 N -0.38 2.76 0.25 9.60 5.36 0.15 -4.86 117.98 130.87 3kpg s PHE 41 Ca 0.03 -0.84 -0.03 0.00 -0.96 0.00 0.00 56.93 55.13 3kpg s PHE 41 Cb -0.05 -4.39 0.49 0.00 -0.34 0.00 0.00 43.02 38.73 3kpg s PHE 41 CO -0.00 -1.69 1.75 0.28 -1.46 0.00 0.00 175.22 174.10 3kpg h VAL 42 N 6.07 0.71 0.00 3.12 2.07 -1.93 -1.68 116.25 124.61 3kpg h VAL 42 Ca -0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kpg h VAL 42 Cb 1.04 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kpg h VAL 42 CO 1.21 0.10 0.00 -2.65 0.02 0.00 0.00 177.57 176.25 3kpg n PRO 43 N -4.92 0.08 0.00 1.57 -0.02 -1.26 -0.99 135.00 129.45 3kpg n PRO 43 Ca 0.15 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3kpg n PRO 43 Cb 0.42 -1.72 0.40 0.00 -0.02 0.00 0.00 33.50 32.57 3kpg n PRO 43 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kpg n SER 44 N -1.88 0.80 -0.21 2.55 7.64 -0.63 -4.41 113.62 117.48 3kpg n SER 44 Ca 0.00 -0.67 -0.06 0.00 1.01 0.00 0.00 58.87 59.15 3kpg n SER 44 Cb 0.06 0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3kpg n SER 44 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3kpg h ASN 45 N 0.83 0.69 -0.85 6.43 2.35 -1.21 -2.35 115.58 121.48 3kpg h ASN 45 Ca 0.00 -0.01 0.13 0.00 -0.55 0.00 0.00 56.30 55.87 3kpg h ASN 45 Cb 0.48 -0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.60 3kpg h ASN 45 CO 0.00 0.49 0.45 -0.65 -1.65 0.00 0.00 177.43 176.07 3kpg h PRO 46 N 0.81 0.66 -0.66 0.81 0.11 -1.77 0.91 132.00 132.87 3kpg h PRO 46 Ca 0.23 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3kpg h PRO 46 Cb -0.07 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 3kpg h PRO 46 CO -0.06 0.44 0.23 -1.49 -0.21 0.00 0.00 178.00 176.91 3kpg h TRP 47 N 0.68 1.01 -0.89 0.65 4.06 -1.73 -1.43 115.95 118.30 3kpg h TRP 47 Ca 0.45 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 61.30 3kpg h TRP 47 Cb 0.57 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.39 3kpg h TRP 47 CO -0.08 0.79 0.50 0.28 -3.56 0.00 0.00 178.44 176.37 3kpg h VAL 48 N 0.96 1.25 0.00 1.49 2.07 -0.81 0.22 116.25 121.44 3kpg h VAL 48 Ca 0.22 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kpg h VAL 48 Cb 0.23 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3kpg h VAL 48 CO -0.01 0.28 0.00 1.23 0.02 0.00 0.00 177.57 179.09 3kpg h GLY 49 N 1.25 0.00 -0.49 2.17 0.00 0.21 -1.47 103.07 104.74 3kpg h GLY 49 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3kpg h GLY 49 CO -0.05 0.00 -0.18 1.55 0.00 0.00 0.00 176.54 177.85 3kpg n VAL 50 N -2.70 0.00 -0.31 4.60 3.14 -0.98 -3.05 118.33 119.03 3kpg n VAL 50 Ca -0.00 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 3kpg n VAL 50 Cb 0.18 1.13 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 3kpg n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kpg n GLY 51 N 0.85 0.84 0.03 7.55 0.00 -0.44 -4.95 105.19 109.07 3kpg n GLY 51 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3kpg n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kpg n TRP 52 N -2.30 0.29 -4.11 1.61 8.01 0.66 -4.86 117.44 116.74 3kpg n TRP 52 Ca 0.00 0.08 -0.08 0.00 -1.31 0.00 0.00 57.50 56.19 3kpg n TRP 52 Cb 0.00 -0.58 -0.10 0.00 -2.01 0.00 0.00 31.31 28.62 3kpg n TRP 52 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3kpg s LYS 53 N -3.04 0.68 0.09 -0.99 1.02 -1.14 -4.91 119.74 111.44 3kpg s LYS 53 Ca 0.12 -1.23 0.06 0.00 0.02 0.00 0.00 55.97 54.94 3kpg s LYS 53 Cb 0.17 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 3kpg s LYS 53 CO 0.59 -0.07 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.65 3kpg s GLU 54 N -3.77 2.22 0.25 1.68 0.41 -1.26 -4.37 118.70 113.87 3kpg s GLU 54 Ca 0.08 -0.96 -0.04 0.00 -0.41 0.00 0.00 54.97 53.63 3kpg s GLU 54 Cb 0.06 -2.35 0.49 0.00 -1.78 0.00 0.00 34.13 30.56 3kpg s GLU 54 CO -0.08 0.53 1.67 -0.09 -0.49 0.00 0.00 175.26 176.80 3kpg h ARG 55 N 3.76 0.24 0.00 1.61 2.43 -1.97 0.45 114.38 120.90 3kpg h ARG 55 Ca -0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3kpg h ARG 55 Cb 1.17 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3kpg h ARG 55 CO 0.53 0.16 0.00 -0.44 -1.51 0.00 0.00 179.97 178.70 3kpg h ASP 56 N 0.24 0.00 0.78 -3.80 3.32 -1.96 -0.26 116.42 114.75 3kpg h ASP 56 Ca 0.43 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.24 3kpg h ASP 56 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3kpg h ASP 56 CO -0.55 0.00 -1.12 0.44 -1.72 0.00 0.00 179.24 176.29 3kpg h ASP 57 N 0.00 0.24 -0.07 6.45 3.32 -1.31 -3.38 116.42 121.67 3kpg h ASP 57 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3kpg h ASP 57 Cb 0.14 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3kpg h ASP 57 CO 0.00 1.19 0.00 2.30 -1.72 0.00 0.00 179.24 181.01 3kpg n ILE 58 N -3.46 0.40 -3.99 0.35 -5.35 -0.48 -5.01 119.36 101.82 3kpg n ILE 58 Ca -0.05 -0.70 -0.12 0.00 -0.27 0.00 0.00 62.75 61.61 3kpg n ILE 58 Cb 0.98 0.86 -0.13 0.00 -1.74 0.00 0.00 39.64 39.61 3kpg n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpg s ALA 59 N -0.65 0.21 0.08 -1.28 0.00 -0.23 -0.68 121.76 119.22 3kpg s ALA 59 Ca 0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 3kpg s ALA 59 Cb 0.05 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3kpg s ALA 59 CO 0.06 -0.04 0.26 -0.59 0.00 0.00 0.00 175.76 175.45 3kpg s PHE 60 N -0.75 0.02 0.28 0.00 -0.71 -0.72 -4.65 117.98 111.44 3kpg s PHE 60 Ca -0.07 -0.34 -0.29 0.00 -1.04 0.00 0.00 56.93 55.19 3kpg s PHE 60 Cb -0.05 0.04 -0.10 0.00 -1.21 0.00 0.00 43.02 41.70 3kpg s PHE 60 CO -0.00 -0.56 1.27 -2.14 -1.34 0.00 0.00 175.22 172.45 3kpg s PRO 61 N -3.45 4.42 -0.06 1.99 0.02 -1.26 -0.52 135.00 136.13 3kpg s PRO 61 Ca 0.01 2.08 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 3kpg s PRO 61 Cb 0.02 -3.14 -0.30 0.00 0.02 0.00 0.00 34.50 31.11 3kpg s PRO 61 CO -0.09 -0.13 0.60 0.82 -0.33 0.00 0.00 177.00 177.87 3kpg h ILE 62 N 3.29 0.87 -0.51 2.83 2.04 -1.67 -3.43 117.51 120.92 3kpg h ILE 62 Ca -0.47 -2.48 0.05 0.00 1.00 0.00 0.00 64.86 62.95 3kpg h ILE 62 Cb 1.22 2.70 -0.06 0.00 -0.74 0.00 0.00 36.82 39.94 3kpg h ILE 62 CO 0.70 0.87 -0.30 -0.09 0.00 0.00 0.00 178.15 179.32 3kpg h ARG 63 N 0.10 -0.01 -0.97 2.37 2.43 -1.94 -1.67 114.38 114.69 3kpg h ARG 63 Ca -0.36 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3kpg h ARG 63 Cb 2.08 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.55 3kpg h ARG 63 CO 0.16 -0.00 0.62 1.25 -1.51 0.00 0.00 179.97 180.48 3kpg h HIS 64 N -0.01 1.06 -0.21 2.20 2.76 -1.99 -1.32 115.15 117.64 3kpg h HIS 64 Ca 0.08 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.13 3kpg h HIS 64 Cb 0.21 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 3kpg h HIS 64 CO -0.98 0.40 -0.50 1.88 -1.30 0.00 0.00 177.93 177.44 3kpg h TYR 65 N 0.90 0.70 0.14 5.26 0.05 -1.59 -2.35 116.97 120.09 3kpg h TYR 65 Ca 0.49 -0.23 -0.30 0.00 0.05 0.00 0.00 58.73 58.73 3kpg h TYR 65 Cb 0.57 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3kpg h TYR 65 CO -0.00 0.95 -1.47 -0.39 -1.05 0.00 0.00 178.16 176.20 3kpg h VAL 66 N 0.45 1.24 -0.47 -2.88 -1.51 -1.31 -3.37 116.25 108.41 3kpg h VAL 66 Ca 0.02 -2.83 -0.10 0.00 -1.23 0.00 0.00 66.70 62.56 3kpg h VAL 66 Cb 1.03 2.84 -0.02 0.00 -2.13 0.00 0.00 31.29 33.01 3kpg h VAL 66 CO 0.10 0.84 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.83 3kpg h GLU 67 N 0.08 0.86 0.00 5.19 5.08 -1.25 -1.22 114.58 123.32 3kpg h GLU 67 Ca -0.22 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3kpg h GLU 67 Cb 2.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.21 3kpg h GLU 67 CO 0.19 0.93 0.00 2.89 -1.00 0.00 0.00 179.01 182.01 3kpg n ARG 68 N -4.15 0.03 -0.06 2.33 1.85 -0.89 -0.69 116.66 115.07 3kpg n ARG 68 Ca 0.01 0.33 0.06 0.00 -1.00 0.00 0.00 57.85 57.26 3kpg n ARG 68 Cb 0.38 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.38 3kpg n ARG 68 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3kpg n LYS 69 N -1.44 1.41 -0.48 2.89 3.00 -0.61 -4.96 118.16 117.98 3kpg n LYS 69 Ca 0.02 -1.52 0.00 0.00 -0.00 0.00 0.00 58.31 56.81 3kpg n LYS 69 Cb 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 33.84 3kpg n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kpg n GLY 70 N 0.68 0.75 3.75 3.14 0.00 0.13 -4.97 105.19 108.68 3kpg n GLY 70 Ca 0.09 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3kpg n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpg s ILE 71 N -2.00 5.35 0.18 -0.61 1.01 -0.56 -4.68 121.20 119.88 3kpg s ILE 71 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 3kpg s ILE 71 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 3kpg s ILE 71 CO 0.00 0.44 0.93 -1.00 0.00 0.00 0.00 174.94 175.31 3kpg s HIS 72 N 0.18 3.90 -0.14 3.97 3.76 -0.46 -3.36 115.29 123.14 3kpg s HIS 72 Ca 0.14 1.84 0.01 0.00 -0.15 0.00 0.00 55.06 56.90 3kpg s HIS 72 Cb -0.12 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.59 3kpg s HIS 72 CO 0.02 0.36 -0.17 0.12 -0.85 0.00 0.00 174.74 174.22 3kpg s PHE 73 N -0.67 2.28 -0.33 1.40 5.36 -1.26 0.31 117.98 125.07 3kpg s PHE 73 Ca 0.43 -1.19 -0.02 0.00 -0.96 0.00 0.00 56.93 55.18 3kpg s PHE 73 Cb -0.25 -1.62 0.07 0.00 -0.34 0.00 0.00 43.02 40.88 3kpg s PHE 73 CO 0.30 -0.61 0.06 0.42 -1.46 0.00 0.00 175.22 173.93 3kpg s ILE 74 N 1.15 3.08 -1.48 3.12 1.01 -0.16 -4.99 121.20 122.92 3kpg s ILE 74 Ca -0.02 -1.58 -0.13 0.00 0.00 0.00 0.00 60.65 58.93 3kpg s ILE 74 Cb -0.14 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.48 3kpg s ILE 74 CO -0.06 -0.28 2.36 0.00 0.00 0.00 0.00 174.94 176.96 3kpg n ALA 75 N 4.61 5.95 -3.02 9.38 0.00 -1.26 -2.26 120.51 133.91 3kpg n ALA 75 Ca -0.10 -3.84 -0.12 0.00 0.00 0.00 0.00 53.44 49.39 3kpg n ALA 75 Cb 0.43 -3.47 -0.12 0.00 0.00 0.00 0.00 19.45 16.29 3kpg n ALA 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kpg s GLN 76 N 2.81 0.23 0.16 0.00 2.00 -0.12 -4.82 119.66 119.93 3kpg s GLN 76 Ca 0.51 -0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 53.55 3kpg s GLN 76 Cb 0.15 0.10 -0.07 0.00 0.80 0.00 0.00 33.01 33.99 3kpg s GLN 76 CO -0.08 -0.04 0.97 0.45 -0.50 0.00 0.00 175.29 176.09 3kpg s SER 77 N -0.38 7.52 0.11 6.67 0.15 -1.26 -3.58 113.70 122.93 3kpg s SER 77 Ca -0.05 1.88 -0.30 0.00 0.70 0.00 0.00 55.95 58.19 3kpg s SER 77 Cb -0.03 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.62 3kpg s SER 77 CO 0.00 -0.01 1.01 0.00 1.20 0.00 0.00 173.24 175.45 3kpg s ALA 78 N -0.43 3.27 -0.08 5.45 0.00 -1.26 -0.52 121.76 128.19 3kpg s ALA 78 Ca 0.45 0.64 0.07 0.00 0.00 0.00 0.00 51.96 53.13 3kpg s ALA 78 Cb -0.25 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3kpg s ALA 78 CO 0.31 -0.12 0.04 0.39 0.00 0.00 0.00 175.76 176.38 3kpg n GLU 79 N 2.91 2.51 -3.83 0.00 -0.58 0.36 -4.71 120.64 117.30 3kpg n GLU 79 Ca 0.03 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.64 3kpg n GLU 79 Cb 0.49 -1.21 -0.12 0.00 -0.57 0.00 0.00 31.44 30.03 3kpg n GLU 79 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpg s GLN 80 N -2.22 0.23 -0.15 3.49 0.74 -1.04 -4.53 119.66 116.17 3kpg s GLN 80 Ca -0.04 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.45 3kpg s GLN 80 Cb 0.03 0.11 0.03 0.00 1.10 0.00 0.00 33.01 34.27 3kpg s GLN 80 CO 0.34 -0.04 -0.11 0.42 -0.55 0.00 0.00 175.29 175.35 3kpg s ILE 81 N -0.22 1.42 -0.48 -2.34 1.01 -1.26 -0.54 121.20 118.79 3kpg s ILE 81 Ca -0.03 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 3kpg s ILE 81 Cb -0.02 -1.40 0.08 0.00 0.01 0.00 0.00 42.46 41.12 3kpg s ILE 81 CO 0.00 0.36 0.40 -0.62 0.00 0.00 0.00 174.94 175.09 3kpg s ASP 82 N 1.54 6.15 0.40 3.58 -1.08 0.00 -4.74 116.67 122.51 3kpg s ASP 82 Ca 0.04 -1.36 0.22 0.00 -0.52 0.00 0.00 52.55 50.92 3kpg s ASP 82 Cb -0.14 -2.19 0.61 0.00 -1.46 0.00 0.00 42.92 39.75 3kpg s ASP 82 CO -0.09 -0.66 1.69 0.00 0.52 0.00 0.00 175.17 176.63 3kpg h ALA 83 N 8.76 0.91 0.09 3.66 0.00 -1.95 0.38 119.26 131.11 3kpg h ALA 83 Ca -0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kpg h ALA 83 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kpg h ALA 83 CO 0.89 0.33 -0.04 0.93 0.00 0.00 0.00 179.25 181.36 3kpg h GLU 84 N 0.00 -0.11 -0.00 0.00 4.39 -1.96 -3.28 114.58 113.61 3kpg h GLU 84 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kpg h GLU 84 Cb 0.96 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3kpg h GLU 84 CO 0.03 0.43 -0.13 0.00 -1.16 0.00 0.00 179.01 178.18 3kpg n ALA 85 N -2.55 2.70 -3.61 3.43 0.00 -1.23 -4.94 120.51 114.32 3kpg n ALA 85 Ca -0.08 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 3kpg n ALA 85 Cb 0.29 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.45 3kpg n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kpg n GLN 86 N -1.38 -7.29 -5.05 0.00 6.02 0.13 -4.89 117.38 104.91 3kpg n GLN 86 Ca 0.09 0.80 -0.32 0.00 -0.01 0.00 0.00 57.00 57.55 3kpg n GLN 86 Cb 0.32 -5.81 -0.15 0.00 1.02 0.00 0.00 30.24 25.62 3kpg n GLN 86 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3kpg s ASN 87 N -3.57 3.58 -0.21 1.08 0.01 -0.71 -1.94 114.94 113.18 3kpg s ASN 87 Ca 0.46 -0.36 -0.07 0.00 -0.71 0.00 0.00 52.86 52.18 3kpg s ASN 87 Cb -0.21 -0.92 -0.03 0.00 0.41 0.00 0.00 41.25 40.51 3kpg s ASN 87 CO 0.75 0.28 0.05 -0.63 -1.51 0.00 0.00 177.10 176.03 3kpg s ILE 88 N -0.33 4.40 -0.26 0.60 1.01 0.28 -0.82 121.20 126.07 3kpg s ILE 88 Ca 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 3kpg s ILE 88 Cb -0.13 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3kpg s ILE 88 CO 0.02 0.40 0.41 -0.89 0.00 0.00 0.00 174.94 174.88 3kpg s THR 89 N 1.04 5.15 0.69 2.92 2.01 0.30 0.05 115.64 127.81 3kpg s THR 89 Ca 0.04 0.65 -0.07 0.00 0.31 0.00 0.00 61.69 62.61 3kpg s THR 89 Cb -0.14 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.69 3kpg s THR 89 CO 0.03 0.14 1.01 -0.76 -0.69 0.00 0.00 174.62 174.35 3kpg s LEU 90 N 2.10 2.88 0.33 4.42 1.43 0.28 -0.49 118.68 129.64 3kpg s LEU 90 Ca 0.17 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 3kpg s LEU 90 Cb -0.16 -3.27 0.67 0.00 0.03 0.00 0.00 46.19 43.47 3kpg s LEU 90 CO 0.10 -1.50 1.91 0.00 0.23 0.00 0.00 176.35 177.08 3kpg h ALA 91 N -0.56 1.66 0.00 4.21 0.00 -1.12 -1.89 119.26 121.55 3kpg h ALA 91 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kpg h ALA 91 Cb 1.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kpg h ALA 91 CO 0.61 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 3kpg n ASP 92 N -4.52 0.49 0.00 0.00 5.68 -1.26 -4.91 116.55 112.04 3kpg n ASP 92 Ca 0.14 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 3kpg n ASP 92 Cb 0.29 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 3kpg n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kpg n GLY 93 N 0.86 2.60 3.75 6.12 0.00 -0.71 -5.09 105.19 112.71 3kpg n GLY 93 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3kpg n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kpg s ASN 94 N -1.55 4.85 0.04 1.61 -0.87 -1.26 -4.70 114.94 113.05 3kpg s ASN 94 Ca 0.00 2.18 0.09 0.00 -1.57 0.00 0.00 52.86 53.56 3kpg s ASN 94 Cb 0.00 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 3kpg s ASN 94 CO 0.00 -1.81 -0.26 0.42 -2.57 0.00 0.00 177.10 172.88 3kpg s THR 95 N -2.08 2.08 -0.19 1.60 -4.23 -1.26 -0.55 115.64 111.00 3kpg s THR 95 Ca 0.71 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3kpg s THR 95 Cb -0.25 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.84 3kpg s THR 95 CO 0.40 0.37 -0.17 -0.69 -0.54 0.00 0.00 174.62 174.00 3kpg s VAL 96 N -0.78 2.31 0.36 2.29 1.01 0.11 -4.90 120.40 120.80 3kpg s VAL 96 Ca 0.11 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3kpg s VAL 96 Cb -0.10 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 3kpg s VAL 96 CO 0.02 0.50 0.91 -2.28 0.00 0.00 0.00 175.10 174.25 3kpg s HIS 97 N 1.32 3.51 0.04 5.22 2.46 -1.26 -0.56 115.29 126.02 3kpg s HIS 97 Ca 0.05 1.64 0.01 0.00 0.47 0.00 0.00 55.06 57.23 3kpg s HIS 97 Cb -0.13 -2.84 -0.03 0.00 -0.13 0.00 0.00 32.58 29.45 3kpg s HIS 97 CO -0.11 0.08 -0.05 1.52 -2.47 0.00 0.00 174.74 173.71 3kpg s TYR 98 N -1.87 0.49 -0.20 3.88 -0.85 -0.82 -4.97 117.35 113.02 3kpg s TYR 98 Ca 0.55 -0.62 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 3kpg s TYR 98 Cb -0.14 -0.32 -0.21 0.00 0.38 0.00 0.00 41.96 41.67 3kpg s TYR 98 CO 0.19 -0.17 0.03 -0.25 -1.52 0.00 0.00 175.55 173.83 3kpg n ASP 99 N 1.22 1.41 -4.08 -0.18 8.00 0.26 -4.86 116.55 118.32 3kpg n ASP 99 Ca -0.21 0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.08 3kpg n ASP 99 Cb 0.56 -0.11 -0.15 0.00 -0.02 0.00 0.00 41.12 41.40 3kpg n ASP 99 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kpg s TYR 100 N -2.53 1.17 -0.13 1.24 2.02 -0.97 -4.82 117.35 113.33 3kpg s TYR 100 Ca -0.24 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 3kpg s TYR 100 Cb 0.08 -0.76 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 3kpg s TYR 100 CO 0.71 -0.03 -0.19 -1.17 -1.57 0.00 0.00 175.55 173.30 3kpg s LEU 101 N -0.25 1.95 -0.32 -1.29 2.96 -0.26 -0.70 118.68 120.77 3kpg s LEU 101 Ca 0.04 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 3kpg s LEU 101 Cb -0.05 -1.31 0.03 0.00 0.50 0.00 0.00 46.19 45.36 3kpg s LEU 101 CO -0.00 0.05 0.08 -0.32 -1.32 0.00 0.00 176.35 174.83 3kpg s MET 102 N 0.93 2.75 -0.23 1.98 -2.45 0.23 -0.34 119.30 122.16 3kpg s MET 102 Ca -0.06 -1.09 -0.24 0.00 -1.25 0.00 0.00 55.69 53.06 3kpg s MET 102 Cb -0.15 -3.39 -0.01 0.00 1.25 0.00 0.00 34.83 32.53 3kpg s MET 102 CO -0.03 -0.59 0.79 0.42 1.05 0.00 0.00 175.02 176.66 3kpg s ILE 103 N 1.41 4.88 -0.35 10.11 1.01 0.26 -0.95 121.20 137.57 3kpg s ILE 103 Ca -0.01 1.49 0.15 0.00 0.00 0.00 0.00 60.65 62.28 3kpg s ILE 103 Cb -0.19 -4.08 0.44 0.00 0.01 0.00 0.00 42.46 38.64 3kpg s ILE 103 CO 0.02 -0.03 0.97 0.00 0.00 0.00 0.00 174.94 175.89 3kpg n ALA 104 N 5.79 3.67 1.71 9.38 0.00 0.74 -1.56 120.51 140.24 3kpg n ALA 104 Ca 0.04 -3.41 0.15 0.00 0.00 0.00 0.00 53.44 50.22 3kpg n ALA 104 Cb 0.48 -0.86 0.72 0.00 0.00 0.00 0.00 19.45 19.79 3kpg n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kpg n THR 105 N -0.12 0.00 -4.90 0.00 -2.24 -1.15 -4.33 114.28 101.54 3kpg n THR 105 Ca 0.16 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3kpg n THR 105 Cb 0.77 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3kpg n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kpg n GLY 106 N 1.11 0.83 3.89 3.38 0.00 -1.26 -4.79 105.19 108.35 3kpg n GLY 106 Ca 0.21 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3kpg n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kpg s PRO 107 N 0.00 3.54 -0.13 1.61 0.04 -1.26 -4.11 135.00 134.69 3kpg s PRO 107 Ca 0.00 -0.15 -0.22 0.00 0.04 0.00 0.00 61.00 60.67 3kpg s PRO 107 Cb 0.00 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 3kpg s PRO 107 CO 0.00 0.64 0.66 0.21 0.04 0.00 0.00 177.00 178.55 3kpg s LYS 108 N -1.91 4.33 -0.52 4.56 2.20 0.20 -4.85 119.74 123.74 3kpg s LYS 108 Ca 0.29 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 56.36 3kpg s LYS 108 Cb -0.13 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3kpg s LYS 108 CO 0.18 -0.08 1.22 -0.51 -0.36 0.00 0.00 175.35 175.79 3kpg s LEU 109 N 1.35 3.52 -1.43 5.43 1.43 -1.26 -0.92 118.68 126.79 3kpg s LEU 109 Ca 0.33 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.68 3kpg s LEU 109 Cb -0.17 -3.34 0.05 0.00 0.03 0.00 0.00 46.19 42.77 3kpg s LEU 109 CO 0.14 -1.42 2.53 0.00 0.23 0.00 0.00 176.35 177.83 3kpg n ALA 110 N 8.38 6.86 0.30 4.21 0.00 -0.57 -4.65 120.51 135.04 3kpg n ALA 110 Ca 0.11 -3.90 0.17 0.00 0.00 0.00 0.00 53.44 49.81 3kpg n ALA 110 Cb 0.49 -3.05 0.97 0.00 0.00 0.00 0.00 19.45 17.85 3kpg n ALA 110 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kpg h PHE 111 N 4.94 0.00 0.00 0.00 0.04 -1.91 -2.08 116.94 117.93 3kpg h PHE 111 Ca 0.73 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.49 3kpg h PHE 111 Cb 0.35 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3kpg h PHE 111 CO 1.66 0.00 -0.04 1.05 -0.60 0.00 0.00 178.31 180.38 3kpg h GLU 112 N 0.00 0.00 -0.22 1.51 9.09 -1.99 -1.76 114.58 121.22 3kpg h GLU 112 Ca 0.01 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.43 3kpg h GLU 112 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 3kpg h GLU 112 CO -0.00 0.04 0.15 -0.91 0.05 0.00 0.00 179.01 178.33 3kpg h ASN 113 N 0.00 0.21 -3.64 3.06 4.21 -1.77 -3.36 115.58 114.29 3kpg h ASN 113 Ca -0.00 -0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.88 3kpg h ASN 113 Cb 0.20 -0.05 -0.40 0.00 -1.12 0.00 0.00 38.32 36.94 3kpg h ASN 113 CO 0.00 0.15 -0.72 -0.69 -1.29 0.00 0.00 177.43 174.89 3kpg s VAL 114 N -5.26 1.74 0.08 2.81 1.01 -0.66 -5.00 120.40 115.12 3kpg s VAL 114 Ca -0.06 -2.36 -0.37 0.00 0.00 0.00 0.00 61.98 59.19 3kpg s VAL 114 Cb 0.17 -2.25 -0.17 0.00 0.00 0.00 0.00 36.38 34.13 3kpg s VAL 114 CO 0.70 -0.74 1.20 -2.65 0.00 0.00 0.00 175.10 173.61 3kpg n PRO 115 N 3.98 0.80 -0.39 2.72 -0.02 -1.26 -0.85 135.00 139.97 3kpg n PRO 115 Ca 0.04 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3kpg n PRO 115 Cb 0.38 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3kpg n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpg n GLY 116 N 2.13 1.35 0.15 -1.23 0.00 -1.25 -0.26 105.19 106.09 3kpg n GLY 116 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3kpg n GLY 116 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kpg h SER 117 N 0.00 0.00 -2.62 1.61 4.64 -1.23 -3.37 113.55 112.58 3kpg h SER 117 Ca 0.00 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.72 3kpg h SER 117 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 3kpg h SER 117 CO 0.00 0.01 0.66 -0.67 -0.87 0.00 0.00 176.83 175.96 3kpg n ASP 118 N -2.79 2.86 0.14 4.97 -0.08 -1.26 -4.71 116.55 115.68 3kpg n ASP 118 Ca 0.02 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.62 3kpg n ASP 118 Cb 0.53 -1.43 0.78 0.00 2.34 0.00 0.00 41.12 43.33 3kpg n ASP 118 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kpg h PRO 119 N 4.57 0.00 -0.00 -0.67 0.11 -1.88 0.37 132.00 134.50 3kpg h PRO 119 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kpg h PRO 119 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kpg h PRO 119 CO 0.78 0.00 -0.31 0.72 -0.21 0.00 0.00 178.00 178.99 3kpg n HIS 120 N -3.82 0.00 0.42 0.65 8.25 -1.26 -4.02 115.22 115.43 3kpg n HIS 120 Ca 0.04 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 3kpg n HIS 120 Cb 0.46 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 3kpg n HIS 120 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3kpg n GLU 121 N -1.06 0.38 0.00 -0.41 1.02 0.13 -5.07 120.64 115.63 3kpg n GLU 121 Ca 0.10 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3kpg n GLU 121 Cb 0.33 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3kpg n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpg n GLY 122 N 1.35 1.64 0.16 0.62 0.00 -1.15 -4.95 105.19 102.86 3kpg n GLY 122 Ca -0.00 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.59 3kpg n GLY 122 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kpg h PRO 123 N 0.00 0.00 -6.50 1.61 0.11 -1.87 -3.45 132.00 121.91 3kpg h PRO 123 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.54 3kpg h PRO 123 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 3kpg h PRO 123 CO 0.00 0.28 0.90 0.08 -0.21 0.00 0.00 178.00 179.05 3kpg s VAL 124 N -3.07 4.32 0.16 3.15 1.01 -1.26 -2.32 120.40 122.40 3kpg s VAL 124 Ca 0.04 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.50 3kpg s VAL 124 Cb 0.07 -4.48 0.03 0.00 0.00 0.00 0.00 36.38 32.00 3kpg s VAL 124 CO 0.73 -0.73 0.22 0.00 0.00 0.00 0.00 175.10 175.32 3kpg n GLN 125 N 7.38 0.90 -3.90 2.72 1.13 0.13 -3.80 117.38 121.93 3kpg n GLN 125 Ca 0.12 -0.89 -0.11 0.00 -1.94 0.00 0.00 57.00 54.19 3kpg n GLN 125 Cb 0.48 -0.06 -0.11 0.00 0.11 0.00 0.00 30.24 30.65 3kpg n GLN 125 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kpg s SER 126 N -2.01 0.08 -0.14 1.08 0.15 -1.26 -3.03 113.70 108.55 3kpg s SER 126 Ca 0.17 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 56.76 3kpg s SER 126 Cb -0.01 0.15 0.33 0.00 -1.71 0.00 0.00 66.02 64.77 3kpg s SER 126 CO 0.11 -0.23 1.17 2.30 1.20 0.00 0.00 173.24 177.78 3kpg n ILE 127 N 2.02 1.78 0.14 6.45 -6.64 -1.26 -3.03 119.36 118.82 3kpg n ILE 127 Ca -0.20 -2.42 0.02 0.00 -1.77 0.00 0.00 62.75 58.38 3kpg n ILE 127 Cb 0.57 -0.12 0.08 0.00 -1.44 0.00 0.00 39.64 38.72 3kpg n ILE 127 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kpg s THR 129 N -3.07 1.27 0.30 0.00 -4.23 -1.26 -4.98 115.64 103.68 3kpg s THR 129 Ca 0.03 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 3kpg s THR 129 Cb 0.09 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 72.12 3kpg s THR 129 CO 0.74 -0.72 1.76 1.62 -0.54 0.00 0.00 174.62 177.49 3kpg h VAL 130 N 2.74 1.25 -0.47 2.29 3.04 -1.95 0.12 116.25 123.26 3kpg h VAL 130 Ca -0.37 -1.18 0.03 0.00 -1.01 0.00 0.00 66.70 64.17 3kpg h VAL 130 Cb 1.20 1.33 -0.03 0.00 -2.01 0.00 0.00 31.29 31.78 3kpg h VAL 130 CO 0.63 0.37 0.27 0.44 -1.01 0.00 0.00 177.57 178.27 3kpg h ASP 131 N 0.37 0.42 0.08 3.17 5.19 -1.97 -1.32 116.42 122.37 3kpg h ASP 131 Ca 0.06 0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 56.29 3kpg h ASP 131 Cb 0.61 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 3kpg h ASP 131 CO 0.04 0.30 -0.70 0.45 -3.12 0.00 0.00 179.24 176.22 3kpg h HIS 132 N 0.54 0.74 -0.53 4.55 3.86 -1.65 -2.76 115.15 119.89 3kpg h HIS 132 Ca 0.19 -0.31 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 3kpg h HIS 132 Cb 0.04 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 3kpg h HIS 132 CO -0.08 1.08 0.11 0.00 0.86 0.00 0.00 177.93 179.91 3kpg h ALA 133 N 0.84 0.71 -0.48 2.45 0.00 -0.66 0.29 119.26 122.40 3kpg h ALA 133 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kpg h ALA 133 Cb 1.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3kpg h ALA 133 CO 0.13 0.42 0.30 0.93 0.00 0.00 0.00 179.25 181.02 3kpg h GLU 134 N 0.76 0.58 -0.74 0.00 5.08 -1.26 -0.85 114.58 118.15 3kpg h GLU 134 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3kpg h GLU 134 Cb 0.36 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3kpg h GLU 134 CO 0.01 0.38 0.33 -0.09 -1.00 0.00 0.00 179.01 178.63 3kpg h ARG 135 N 0.59 1.08 -0.67 2.33 2.43 -1.16 -1.95 114.38 117.04 3kpg h ARG 135 Ca 0.19 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3kpg h ARG 135 Cb -0.01 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 3kpg h ARG 135 CO -0.08 0.87 0.43 0.00 -1.51 0.00 0.00 179.97 179.68 3kpg h ALA 136 N 1.16 0.85 -0.42 2.80 0.00 0.06 -1.11 119.26 122.60 3kpg h ALA 136 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kpg h ALA 136 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kpg h ALA 136 CO -0.03 0.28 0.17 0.35 0.00 0.00 0.00 179.25 180.03 3kpg h PHE 137 N 0.90 0.64 -0.59 0.00 3.57 -0.94 0.16 116.94 120.69 3kpg h PHE 137 Ca 0.24 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.81 3kpg h PHE 137 Cb -0.09 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.38 3kpg h PHE 137 CO -0.02 0.56 0.12 0.00 -2.23 0.00 0.00 178.31 176.73 3kpg h ALA 138 N 1.02 0.69 -0.10 2.41 0.00 -0.91 0.18 119.26 122.55 3kpg h ALA 138 Ca 0.14 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3kpg h ALA 138 Cb 0.19 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kpg h ALA 138 CO -0.01 -0.31 -0.31 0.93 0.00 0.00 0.00 179.25 179.55 3kpg h GLU 139 N 0.25 0.19 -0.49 0.00 4.39 -0.78 -2.50 114.58 115.63 3kpg h GLU 139 Ca 0.31 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 3kpg h GLU 139 Cb 0.45 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3kpg h GLU 139 CO -0.40 0.48 0.15 -0.92 -1.16 0.00 0.00 179.01 177.17 3kpg h TYR 140 N 0.17 0.79 -0.77 4.33 3.20 0.20 -1.13 116.97 123.75 3kpg h TYR 140 Ca 0.02 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3kpg h TYR 140 Cb 0.64 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3kpg h TYR 140 CO 0.01 0.69 0.46 1.96 -1.64 0.00 0.00 178.16 179.64 3kpg h GLN 141 N 0.66 1.05 -0.44 1.82 4.20 -0.50 -0.62 115.11 121.29 3kpg h GLN 141 Ca 0.16 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3kpg h GLN 141 Cb 0.27 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3kpg h GLN 141 CO -0.01 0.74 0.04 0.00 -0.67 0.00 0.00 178.83 178.94 3kpg h ALA 142 N 1.44 1.25 -0.35 3.87 0.00 -1.08 -1.18 119.26 123.20 3kpg h ALA 142 Ca 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kpg h ALA 142 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kpg h ALA 142 CO -0.05 0.51 0.21 1.25 0.00 0.00 0.00 179.25 181.17 3kpg h LEU 143 N 0.65 0.43 -0.52 0.00 5.85 -0.11 -1.39 115.31 120.22 3kpg h LEU 143 Ca 0.14 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3kpg h LEU 143 Cb 0.35 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3kpg h LEU 143 CO 0.01 0.36 0.19 -0.07 -0.34 0.00 0.00 178.44 178.58 3kpg h LEU 144 N 0.46 0.18 -0.99 2.25 4.07 -0.44 0.33 115.31 121.16 3kpg h LEU 144 Ca 0.13 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 3kpg h LEU 144 Cb 0.01 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 3kpg h LEU 144 CO -0.02 0.13 0.02 0.03 -1.08 0.00 0.00 178.44 177.51 3kpg h ARG 145 N 0.36 0.74 -2.23 1.13 3.08 -1.03 -3.36 114.38 113.07 3kpg h ARG 145 Ca 0.25 -0.18 -0.58 0.00 0.07 0.00 0.00 59.98 59.54 3kpg h ARG 145 Cb 0.28 -0.09 -0.39 0.00 0.08 0.00 0.00 29.97 29.84 3kpg h ARG 145 CO -0.26 0.74 -0.95 0.39 -1.07 0.00 0.00 179.97 178.82 3kpg n GLU 146 N -4.23 0.88 -1.53 0.04 1.02 -0.54 -5.11 120.64 111.17 3kpg n GLU 146 Ca 0.03 -3.51 -0.44 0.00 -0.02 0.00 0.00 57.16 53.21 3kpg n GLU 146 Cb 0.28 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 3kpg n GLU 146 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kpg n PRO 147 N 1.83 0.96 -2.39 3.49 -0.02 0.03 -4.69 135.00 134.20 3kpg n PRO 147 Ca 0.25 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 3kpg n PRO 147 Cb 0.48 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 3kpg n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kpg n GLY 148 N 1.46 1.32 3.77 -1.23 0.00 -1.26 -4.95 105.19 104.30 3kpg n GLY 148 Ca 0.11 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 3kpg n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kpg s PRO 149 N -2.03 4.16 -0.08 1.61 0.02 -1.26 -4.33 135.00 133.08 3kpg s PRO 149 Ca 0.09 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3kpg s PRO 149 Cb -0.02 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 3kpg s PRO 149 CO 0.04 -0.43 -0.08 0.42 -0.33 0.00 0.00 177.00 176.63 3kpg s ILE 150 N -1.14 3.62 -0.13 2.83 1.01 -0.24 -1.20 121.20 125.95 3kpg s ILE 150 Ca 0.52 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 3kpg s ILE 150 Cb -0.44 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.58 3kpg s ILE 150 CO 0.58 0.58 0.01 -0.69 0.00 0.00 0.00 174.94 175.42 3kpg s VAL 151 N -0.54 0.51 0.14 2.92 1.01 -0.71 -1.55 120.40 122.18 3kpg s VAL 151 Ca 0.08 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3kpg s VAL 151 Cb -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3kpg s VAL 151 CO 0.02 0.05 -0.21 -0.63 0.00 0.00 0.00 175.10 174.32 3kpg s ILE 152 N 1.89 1.91 -3.90 2.22 1.01 -0.48 -1.50 121.20 122.36 3kpg s ILE 152 Ca 0.02 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.91 3kpg s ILE 152 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.54 3kpg s ILE 152 CO -0.07 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.36 3kpg n GLY 153 N 0.70 -0.53 2.88 6.18 0.00 -0.41 -1.18 105.19 112.83 3kpg n GLY 153 Ca -0.16 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 3kpg n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpg s ALA 154 N -1.00 0.33 0.92 4.61 0.00 -0.21 -0.79 121.76 125.61 3kpg s ALA 154 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3kpg s ALA 154 Cb 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 23.12 23.07 3kpg s ALA 154 CO 0.00 0.01 1.13 -1.64 0.00 0.00 0.00 175.76 175.26 3kpg s MET 155 N 0.42 1.10 0.34 0.00 -1.94 0.80 -2.72 119.30 117.30 3kpg s MET 155 Ca -0.04 0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.98 3kpg s MET 155 Cb -0.07 -1.83 -0.11 0.00 2.01 0.00 0.00 34.83 34.83 3kpg s MET 155 CO -0.01 -2.23 1.52 0.00 -0.01 0.00 0.00 175.02 174.29 3kpg s ALA 156 N -3.24 3.64 0.00 3.03 0.00 -1.26 -2.24 121.76 121.68 3kpg s ALA 156 Ca 0.64 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.15 3kpg s ALA 156 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3kpg s ALA 156 CO 0.54 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3kpg n GLY 157 N 1.16 1.57 3.71 0.00 0.00 0.10 -4.28 105.19 107.46 3kpg n GLY 157 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kpg n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kpg s ALA 158 N -3.07 1.88 0.00 4.61 0.00 -0.95 -4.22 121.76 120.01 3kpg s ALA 158 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3kpg s ALA 158 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3kpg s ALA 158 CO 0.00 -2.21 0.04 -1.13 0.00 0.00 0.00 175.76 172.46 3kpg n SER 159 N -3.47 0.08 -3.95 0.00 3.41 -1.26 -0.84 113.62 107.59 3kpg n SER 159 Ca 0.12 -0.39 -0.30 0.00 -0.26 0.00 0.00 58.87 58.04 3kpg n SER 159 Cb 0.51 0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.55 3kpg n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kpg n PHE 161 N 2.51 1.08 -0.23 0.00 3.72 -1.26 -4.37 117.46 118.92 3kpg n PHE 161 Ca 0.14 0.33 -0.06 0.00 -0.05 0.00 0.00 57.45 57.81 3kpg n PHE 161 Cb 0.34 -1.18 -0.01 0.00 -0.94 0.00 0.00 39.48 37.69 3kpg n PHE 161 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kpg h GLY 162 N 2.76 -0.25 1.32 1.37 0.00 -1.92 -0.95 103.07 105.41 3kpg h GLY 162 Ca -0.33 0.51 0.10 0.00 0.00 0.00 0.00 47.33 47.60 3kpg h GLY 162 CO 0.08 -0.18 0.25 -2.55 0.00 0.00 0.00 176.54 174.14 3kpg h PRO 163 N -0.17 0.02 0.04 4.80 0.11 -1.97 0.09 132.00 134.93 3kpg h PRO 163 Ca 0.22 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3kpg h PRO 163 Cb 0.56 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3kpg h PRO 163 CO -0.72 0.02 -0.02 0.00 -0.21 0.00 0.00 178.00 177.06 3kpg h ALA 164 N 1.82 -0.05 -0.13 -0.75 0.00 -1.39 -0.09 119.26 118.66 3kpg h ALA 164 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kpg h ALA 164 Cb 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kpg h ALA 164 CO -0.01 -0.47 0.07 1.88 0.00 0.00 0.00 179.25 180.73 3kpg h TYR 165 N -0.18 0.18 -0.42 0.00 0.05 -1.11 -1.49 116.97 114.00 3kpg h TYR 165 Ca -0.01 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.86 3kpg h TYR 165 Cb 0.16 -0.06 -0.08 0.00 1.01 0.00 0.00 36.73 37.76 3kpg h TYR 165 CO -0.03 0.20 -0.14 1.49 -1.05 0.00 0.00 178.16 178.63 3kpg h GLU 166 N 0.12 -0.04 -0.57 4.88 4.81 -0.97 -1.23 114.58 121.57 3kpg h GLU 166 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3kpg h GLU 166 Cb 0.07 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3kpg h GLU 166 CO -0.01 -0.03 0.29 -0.92 -0.73 0.00 0.00 179.01 177.61 3kpg h TYR 167 N -0.04 0.81 -0.73 0.92 3.20 -0.79 -1.68 116.97 118.67 3kpg h TYR 167 Ca 0.20 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3kpg h TYR 167 Cb 0.36 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3kpg h TYR 167 CO -0.40 0.62 0.40 0.00 -1.64 0.00 0.00 178.16 177.14 3kpg h ALA 168 N 1.12 0.93 -0.18 1.82 0.00 -0.76 -0.64 119.26 121.55 3kpg h ALA 168 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kpg h ALA 168 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kpg h ALA 168 CO -0.03 0.44 -0.03 0.52 0.00 0.00 0.00 179.25 180.16 3kpg h MET 169 N 1.00 0.33 0.00 0.00 2.86 -0.92 -1.90 114.93 116.30 3kpg h MET 169 Ca 0.26 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3kpg h MET 169 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3kpg h MET 169 CO -0.04 0.58 -0.46 -0.84 1.06 0.00 0.00 176.91 177.21 3kpg h ILE 170 N 0.05 1.09 -0.29 -1.22 3.07 -1.19 0.40 117.51 119.42 3kpg h ILE 170 Ca 0.05 -1.73 -0.06 0.00 1.55 0.00 0.00 64.86 64.67 3kpg h ILE 170 Cb 0.45 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 3kpg h ILE 170 CO 0.02 0.45 -0.03 0.58 -1.05 0.00 0.00 178.15 178.11 3kpg h VAL 171 N 0.00 1.27 -0.47 0.16 2.07 -1.10 0.56 116.25 118.73 3kpg h VAL 171 Ca -0.00 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.51 3kpg h VAL 171 Cb 0.96 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3kpg h VAL 171 CO 0.06 0.33 0.31 0.00 0.02 0.00 0.00 177.57 178.28 3kpg h ALA 172 N 0.81 0.60 -0.28 1.67 0.00 -0.94 -1.24 119.26 119.88 3kpg h ALA 172 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kpg h ALA 172 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kpg h ALA 172 CO 0.02 0.03 0.17 1.03 0.00 0.00 0.00 179.25 180.50 3kpg h SER 173 N 0.62 0.34 -0.69 0.00 0.87 -0.84 -2.44 113.55 111.40 3kpg h SER 173 Ca 0.18 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3kpg h SER 173 Cb -0.05 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 3kpg h SER 173 CO -0.05 0.30 0.25 -0.78 -0.53 0.00 0.00 176.83 176.02 3kpg h ASP 174 N 0.35 0.99 -0.14 6.23 3.58 -0.64 0.27 116.42 127.06 3kpg h ASP 174 Ca 0.10 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.43 3kpg h ASP 174 Cb 0.02 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.77 3kpg h ASP 174 CO -0.02 0.91 -0.12 -0.07 -2.88 0.00 0.00 179.24 177.05 3kpg h LEU 175 N 1.04 -0.39 -0.34 2.28 4.07 -1.10 -0.60 115.31 120.27 3kpg h LEU 175 Ca 0.23 0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.30 3kpg h LEU 175 Cb 0.25 0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 3kpg h LEU 175 CO -0.01 -0.16 0.17 0.11 -1.08 0.00 0.00 178.44 177.46 3kpg h LYS 176 N -0.14 0.34 0.00 1.13 1.57 -0.91 0.19 116.57 118.75 3kpg h LYS 176 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3kpg h LYS 176 Cb 0.28 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kpg h LYS 176 CO -0.22 0.22 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.60 3kpg h LYS 177 N 0.35 0.00 0.00 3.15 3.64 -0.55 0.14 116.57 123.29 3kpg h LYS 177 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kpg h LYS 177 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kpg h LYS 177 CO -0.10 0.06 -0.81 0.54 -2.27 0.00 0.00 179.45 176.88 3kpg n ARG 178 N -3.87 0.12 -1.97 1.90 1.74 -0.27 -4.97 116.66 109.34 3kpg n ARG 178 Ca -0.03 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 3kpg n ARG 178 Cb 0.16 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3kpg n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kpg n GLY 179 N 1.44 0.25 0.15 -0.13 0.00 0.48 -4.94 105.19 102.44 3kpg n GLY 179 Ca 0.04 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.40 3kpg n GLY 179 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kpg n MET 180 N -1.61 2.58 -0.31 1.61 0.00 0.41 -4.73 117.12 115.07 3kpg n MET 180 Ca -0.05 -0.36 0.09 0.00 0.00 0.00 0.00 57.70 57.37 3kpg n MET 180 Cb 0.50 -1.09 0.25 0.00 0.00 0.00 0.00 33.22 32.88 3kpg n MET 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3kpg h ARG 181 N 0.72 0.63 0.00 2.12 9.65 -1.85 -0.71 114.38 124.93 3kpg h ARG 181 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kpg h ARG 181 Cb 0.34 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3kpg h ARG 181 CO 0.00 0.42 0.00 -0.40 2.80 0.00 0.00 179.97 182.79 3kpg n ASP 182 N -4.85 0.00 0.12 -3.80 5.75 -1.26 -2.80 116.55 109.72 3kpg n ASP 182 Ca 0.19 -0.09 0.13 0.00 -0.01 0.00 0.00 54.79 55.00 3kpg n ASP 182 Cb 0.48 -0.29 0.36 0.00 -1.03 0.00 0.00 41.12 40.64 3kpg n ASP 182 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3kpg h LYS 183 N 0.00 0.00 -6.16 0.11 6.56 -1.47 -3.45 116.57 112.17 3kpg h LYS 183 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 3kpg h LYS 183 Cb 0.26 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.88 3kpg h LYS 183 CO 0.00 0.00 0.79 0.42 -2.06 0.00 0.00 179.45 178.60 3kpg s ILE 184 N -3.12 4.51 0.17 1.86 -1.09 -1.12 -4.63 121.20 117.77 3kpg s ILE 184 Ca 0.10 1.81 -0.14 0.00 -2.23 0.00 0.00 60.65 60.19 3kpg s ILE 184 Cb 0.11 -4.17 0.06 0.00 -1.58 0.00 0.00 42.46 36.88 3kpg s ILE 184 CO 0.61 -0.12 1.83 -0.65 -1.23 0.00 0.00 174.94 175.39 3kpg h PRO 185 N 7.65 0.69 -2.02 2.79 0.11 -1.88 -3.45 132.00 135.90 3kpg h PRO 185 Ca -0.25 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 3kpg h PRO 185 Cb 1.10 -0.15 -0.21 0.00 0.11 0.00 0.00 31.00 31.85 3kpg h PRO 185 CO 0.95 0.46 0.13 -1.54 -0.21 0.00 0.00 178.00 177.79 3kpg s SER 186 N -5.68 -0.73 -0.24 -2.05 1.04 -1.26 -5.03 113.70 99.75 3kpg s SER 186 Ca -0.13 1.34 0.02 0.00 0.48 0.00 0.00 55.95 57.66 3kpg s SER 186 Cb 0.12 1.33 0.05 0.00 0.10 0.00 0.00 66.02 67.62 3kpg s SER 186 CO 0.74 -0.29 -0.13 0.12 0.98 0.00 0.00 173.24 174.66 3kpg s PHE 187 N 0.17 3.07 -0.03 5.02 5.99 -1.26 -1.08 117.98 129.86 3kpg s PHE 187 Ca -0.01 -2.10 0.07 0.00 0.00 0.00 0.00 56.93 54.88 3kpg s PHE 187 Cb -0.04 -1.89 -0.02 0.00 0.00 0.00 0.00 43.02 41.06 3kpg s PHE 187 CO 0.02 -0.85 -0.24 0.99 -0.00 0.00 0.00 175.22 175.14 3kpg s THR 188 N 1.17 2.21 -0.23 0.12 2.01 -0.60 -1.33 115.64 119.00 3kpg s THR 188 Ca -0.05 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 3kpg s THR 188 Cb -0.18 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 3kpg s THR 188 CO -0.07 0.58 -0.01 0.12 -0.69 0.00 0.00 174.62 174.55 3kpg s PHE 189 N -0.53 3.00 -0.16 4.92 2.19 0.15 -1.38 117.98 126.17 3kpg s PHE 189 Ca 0.07 -0.75 -0.00 0.00 0.33 0.00 0.00 56.93 56.58 3kpg s PHE 189 Cb -0.11 -2.14 -0.00 0.00 -1.31 0.00 0.00 43.02 39.46 3kpg s PHE 189 CO 0.00 -0.47 -0.15 0.42 1.83 0.00 0.00 175.22 176.85 3kpg s ILE 190 N 1.48 2.67 0.03 3.12 -1.09 -0.33 -0.96 121.20 126.13 3kpg s ILE 190 Ca 0.06 -0.76 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 3kpg s ILE 190 Cb -0.14 -2.13 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 3kpg s ILE 190 CO -0.01 0.51 -0.04 0.28 -1.23 0.00 0.00 174.94 174.45 3kpg s THR 191 N 0.92 0.21 -0.80 2.92 -1.32 -0.76 -1.05 115.64 115.76 3kpg s THR 191 Ca -0.03 -1.24 0.26 0.00 -1.21 0.00 0.00 61.69 59.46 3kpg s THR 191 Cb -0.15 -0.74 0.18 0.00 -1.51 0.00 0.00 72.50 70.28 3kpg s THR 191 CO -0.02 -0.66 1.64 -1.54 -2.21 0.00 0.00 174.62 171.84 3kpg n SER 192 N 1.06 0.57 -4.63 8.08 3.41 -1.10 -1.36 113.62 119.64 3kpg n SER 192 Ca -0.20 0.34 -0.39 0.00 -0.26 0.00 0.00 58.87 58.35 3kpg n SER 192 Cb 0.57 -0.35 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 3kpg n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kpg n GLU 193 N -1.97 1.26 0.23 4.33 1.02 -1.26 -4.26 120.64 120.00 3kpg n GLU 193 Ca 0.05 0.46 0.11 0.00 -0.02 0.00 0.00 57.16 57.77 3kpg n GLU 193 Cb 0.40 -2.18 0.52 0.00 -0.02 0.00 0.00 31.44 30.17 3kpg n GLU 193 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3kpg h PRO 194 N 1.15 0.00 -3.37 3.49 0.11 -1.91 0.79 132.00 132.27 3kpg h PRO 194 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3kpg h PRO 194 Cb 1.34 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 3kpg h PRO 194 CO 0.55 0.19 -0.05 1.52 -0.21 0.00 0.00 178.00 179.99 3kpg s TYR 195 N -3.72 -0.20 0.19 0.65 -0.85 -1.26 -4.55 117.35 107.60 3kpg s TYR 195 Ca 0.00 -0.11 -0.33 0.00 -0.52 0.00 0.00 57.07 56.11 3kpg s TYR 195 Cb 0.10 0.29 -0.12 0.00 0.38 0.00 0.00 41.96 42.61 3kpg s TYR 195 CO 0.62 -0.74 1.69 -0.89 -1.52 0.00 0.00 175.55 174.71 3kpg n ILE 196 N -0.25 0.03 -0.92 -3.49 2.08 -1.26 -2.36 119.36 113.19 3kpg n ILE 196 Ca -0.15 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3kpg n ILE 196 Cb 0.64 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 3kpg n ILE 196 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kpg n GLY 197 N 3.83 0.51 0.26 7.39 0.00 -1.26 -4.21 105.19 111.72 3kpg n GLY 197 Ca 0.16 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3kpg n GLY 197 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kpg h HIS 198 N 0.00 0.91 -0.97 1.61 6.17 -1.83 -3.33 115.15 117.71 3kpg h HIS 198 Ca 0.00 -0.08 -0.36 0.00 0.71 0.00 0.00 60.37 60.64 3kpg h HIS 198 Cb 0.00 -0.27 -0.14 0.00 2.52 0.00 0.00 27.41 29.52 3kpg h HIS 198 CO 0.00 0.75 -0.32 1.28 0.71 0.00 0.00 177.93 180.35 3kpg n LEU 199 N -4.45 -1.17 0.00 0.26 4.77 -1.26 -1.15 117.00 114.00 3kpg n LEU 199 Ca 0.03 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3kpg n LEU 199 Cb 0.19 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 38.62 3kpg n LEU 199 CO 0.39 -1.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 3kpg n GLY 200 N -0.23 0.46 0.53 -0.72 0.00 -1.26 -4.67 105.19 99.30 3kpg n GLY 200 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3kpg n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kpg n ILE 201 N -2.54 0.91 -2.34 -0.61 -5.35 -0.41 -3.93 119.36 105.08 3kpg n ILE 201 Ca 0.00 -1.32 -0.19 0.00 -0.27 0.00 0.00 62.75 60.97 3kpg n ILE 201 Cb 0.10 0.24 -0.01 0.00 -1.74 0.00 0.00 39.64 38.23 3kpg n ILE 201 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kpg n GLN 202 N -0.54 -1.53 0.00 6.28 3.00 -1.00 -4.71 117.38 118.87 3kpg n GLN 202 Ca 0.09 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 3kpg n GLN 202 Cb 0.75 -5.51 0.00 0.00 0.00 0.00 0.00 30.24 25.48 3kpg n GLN 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kpg n GLY 203 N -1.01 -2.64 3.00 1.08 0.00 -0.30 -4.96 105.19 100.36 3kpg n GLY 203 Ca -0.23 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 3kpg n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpg s VAL 204 N -3.60 -0.11 0.00 1.61 0.11 -1.26 -5.03 120.40 112.11 3kpg s VAL 204 Ca 0.00 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 3kpg s VAL 204 Cb 0.00 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 3kpg s VAL 204 CO 0.00 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 3kpg n GLY 205 N 4.47 2.68 2.36 6.54 0.00 -1.24 -1.54 105.19 118.46 3kpg n GLY 205 Ca -0.21 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 3kpg n GLY 205 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kpg n ASP 206 N 1.01 7.30 -0.23 1.61 2.03 -1.26 -4.68 116.55 122.33 3kpg n ASP 206 Ca 0.00 -3.79 0.14 0.00 0.52 0.00 0.00 54.79 51.66 3kpg n ASP 206 Cb 0.00 -0.90 0.43 0.00 -0.72 0.00 0.00 41.12 39.93 3kpg n ASP 206 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kpg h SER 207 N 2.14 0.55 0.56 1.67 4.64 -1.58 -1.50 113.55 120.03 3kpg h SER 207 Ca 0.57 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.90 3kpg h SER 207 Cb 0.82 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3kpg h SER 207 CO 1.46 0.28 -0.27 0.50 -0.87 0.00 0.00 176.83 177.93 3kpg h LYS 208 N 0.58 -0.72 -0.59 4.77 3.64 -1.74 -0.75 116.57 121.76 3kpg h LYS 208 Ca 0.43 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.77 3kpg h LYS 208 Cb 0.80 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3kpg h LYS 208 CO -0.18 -0.45 0.04 0.78 -2.27 0.00 0.00 179.45 177.37 3kpg h GLY 209 N -0.82 1.08 1.14 5.01 0.00 -1.77 -1.30 103.07 106.40 3kpg h GLY 209 Ca -0.08 -0.74 -0.23 0.00 0.00 0.00 0.00 47.33 46.28 3kpg h GLY 209 CO 0.13 0.69 -0.86 -2.22 0.00 0.00 0.00 176.54 174.28 3kpg h ILE 210 N 0.93 1.29 -0.28 2.60 2.04 -1.28 -1.65 117.51 121.16 3kpg h ILE 210 Ca 0.18 -2.07 -0.18 0.00 1.00 0.00 0.00 64.86 63.79 3kpg h ILE 210 Cb 0.48 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3kpg h ILE 210 CO 0.02 0.65 -0.52 -0.07 0.00 0.00 0.00 178.15 178.23 3kpg h LEU 211 N 0.42 0.94 -0.26 1.44 4.07 -1.16 -0.33 115.31 120.43 3kpg h LEU 211 Ca -0.08 -0.53 0.04 0.00 0.08 0.00 0.00 57.88 57.38 3kpg h LEU 211 Cb 1.50 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.93 3kpg h LEU 211 CO 0.17 1.30 0.02 0.74 -1.08 0.00 0.00 178.44 179.59 3kpg h THR 212 N 0.62 0.84 -0.42 0.22 2.02 -1.26 -1.22 112.91 113.71 3kpg h THR 212 Ca 0.01 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3kpg h THR 212 Cb 1.13 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3kpg h THR 212 CO 0.12 0.02 0.14 0.50 0.37 0.00 0.00 175.52 176.66 3kpg h LYS 213 N 0.10 0.64 -0.18 6.66 3.64 -1.29 -2.43 116.57 123.72 3kpg h LYS 213 Ca 0.12 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3kpg h LYS 213 Cb 0.15 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3kpg h LYS 213 CO -0.19 0.63 -0.12 0.78 -2.27 0.00 0.00 179.45 178.28 3kpg h GLY 214 N 0.53 0.02 0.99 5.01 0.00 -0.75 0.14 103.07 109.01 3kpg h GLY 214 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3kpg h GLY 214 CO -0.01 -0.13 0.19 1.41 0.00 0.00 0.00 176.54 178.01 3kpg h LEU 215 N -0.12 0.36 -0.21 3.11 3.38 -1.18 -2.37 115.31 118.28 3kpg h LEU 215 Ca 0.11 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kpg h LEU 215 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kpg h LEU 215 CO -0.25 0.28 0.01 0.50 0.09 0.00 0.00 178.44 179.07 3kpg h LYS 216 N 0.40 0.08 -0.89 1.13 3.64 -1.19 -0.77 116.57 118.97 3kpg h LYS 216 Ca 0.11 -0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.72 3kpg h LYS 216 Cb -0.02 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.65 3kpg h LYS 216 CO -0.02 0.05 0.32 1.49 -2.27 0.00 0.00 179.45 179.02 3kpg h GLU 217 N 0.08 0.28 -0.13 1.90 4.81 -0.41 0.13 114.58 121.23 3kpg h GLU 217 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kpg h GLU 217 Cb 0.12 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3kpg h GLU 217 CO -0.16 0.18 0.00 0.39 -0.73 0.00 0.00 179.01 178.69 3kpg n GLU 218 N -5.15 1.63 -2.74 1.92 -0.58 -0.78 -4.91 120.64 110.03 3kpg n GLU 218 Ca 0.22 -0.94 -0.12 0.00 -0.42 0.00 0.00 57.16 55.91 3kpg n GLU 218 Cb 0.70 -1.39 0.02 0.00 -0.57 0.00 0.00 31.44 30.20 3kpg n GLU 218 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kpg n GLY 219 N 1.09 0.10 3.48 0.62 0.00 0.44 -5.02 105.19 105.90 3kpg n GLY 219 Ca 0.16 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3kpg n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kpg s ILE 220 N -2.93 4.47 -0.01 -0.61 1.01 -0.37 -4.61 121.20 118.15 3kpg s ILE 220 Ca 0.19 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 3kpg s ILE 220 Cb -0.08 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 3kpg s ILE 220 CO 0.23 0.34 0.87 -0.70 0.00 0.00 0.00 174.94 175.68 3kpg s GLU 221 N 1.54 4.52 -0.07 2.79 2.12 -0.44 -4.21 118.70 124.96 3kpg s GLU 221 Ca 0.06 1.22 0.05 0.00 0.36 0.00 0.00 54.97 56.66 3kpg s GLU 221 Cb -0.15 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 3kpg s GLU 221 CO 0.04 0.02 -0.23 0.00 -0.54 0.00 0.00 175.26 174.56 3kpg s ALA 222 N 0.82 2.05 -0.05 6.30 0.00 -1.26 0.31 121.76 129.94 3kpg s ALA 222 Ca 0.46 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3kpg s ALA 222 Cb -0.20 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 3kpg s ALA 222 CO 0.24 0.34 -0.16 0.71 0.00 0.00 0.00 175.76 176.89 3kpg s TYR 223 N 0.09 1.64 0.44 0.00 2.02 -0.13 -4.98 117.35 116.43 3kpg s TYR 223 Ca -0.10 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 3kpg s TYR 223 Cb -0.15 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.24 3kpg s TYR 223 CO 0.06 -0.18 0.12 0.95 -1.57 0.00 0.00 175.55 174.93 3kpg s THR 224 N 0.12 1.97 -1.48 -0.71 -4.23 -1.26 -1.83 115.64 108.21 3kpg s THR 224 Ca -0.05 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.52 3kpg s THR 224 Cb -0.12 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 71.00 3kpg s THR 224 CO 0.02 0.00 1.05 0.59 -0.54 0.00 0.00 174.62 175.75 3kpg n ASN 225 N -1.21 -5.34 -4.70 3.99 3.02 0.27 -4.76 115.26 106.53 3kpg n ASN 225 Ca -0.05 -0.70 -0.30 0.00 -0.03 0.00 0.00 54.58 53.50 3kpg n ASN 225 Cb 0.66 -4.25 -0.08 0.00 -0.61 0.00 0.00 39.78 35.50 3kpg n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kpg s LYS 227 N -2.35 0.46 -0.29 0.00 -2.85 -0.61 -3.51 119.74 110.58 3kpg s LYS 227 Ca 0.26 -0.23 -0.16 0.00 -1.00 0.00 0.00 55.97 54.84 3kpg s LYS 227 Cb -0.12 -0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.20 3kpg s LYS 227 CO 0.19 0.12 0.40 0.08 0.10 0.00 0.00 175.35 176.24 3kpg s VAL 228 N -0.21 5.14 0.09 1.79 1.01 -1.26 -0.70 120.40 126.26 3kpg s VAL 228 Ca 0.01 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.53 3kpg s VAL 228 Cb -0.03 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.35 3kpg s VAL 228 CO -0.00 0.07 1.17 0.71 0.00 0.00 0.00 175.10 177.05 3kpg h THR 229 N 5.44 1.57 -1.91 3.92 1.35 -1.33 -3.45 112.91 118.49 3kpg h THR 229 Ca -0.31 -3.23 0.11 0.00 -0.55 0.00 0.00 66.41 62.44 3kpg h THR 229 Cb 1.15 2.86 -0.19 0.00 -1.73 0.00 0.00 68.15 70.25 3kpg h THR 229 CO 0.67 0.92 0.55 -1.59 -0.25 0.00 0.00 175.52 175.82 3kpg s LYS 230 N -2.68 0.67 -0.18 4.72 -2.85 -1.24 -4.37 119.74 113.81 3kpg s LYS 230 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 55.97 54.83 3kpg s LYS 230 Cb 0.09 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 3kpg s LYS 230 CO 0.85 -0.27 -0.09 0.08 0.10 0.00 0.00 175.35 176.02 3kpg s VAL 231 N -2.26 3.10 -0.21 1.79 1.01 0.64 -1.17 120.40 123.32 3kpg s VAL 231 Ca 0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3kpg s VAL 231 Cb -0.01 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 34.06 3kpg s VAL 231 CO -0.04 0.47 0.54 -0.70 0.00 0.00 0.00 175.10 175.37 3kpg s GLU 232 N 1.06 0.61 -1.51 2.72 2.12 0.05 -3.92 118.70 119.83 3kpg s GLU 232 Ca 0.00 0.80 -0.11 0.00 0.36 0.00 0.00 54.97 56.02 3kpg s GLU 232 Cb -0.15 0.25 0.07 0.00 0.26 0.00 0.00 34.13 34.57 3kpg s GLU 232 CO -0.02 -0.09 0.84 -0.25 -0.54 0.00 0.00 175.26 175.21 3kpg n ASP 233 N 3.11 -3.46 -2.97 -1.70 8.00 -1.26 -0.70 116.55 117.57 3kpg n ASP 233 Ca -0.15 -0.85 -0.22 0.00 0.71 0.00 0.00 54.79 54.28 3kpg n ASP 233 Cb 0.56 -3.64 0.02 0.00 -0.02 0.00 0.00 41.12 38.05 3kpg n ASP 233 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kpg n ASN 234 N -2.86 -5.64 -4.02 -2.24 3.02 -1.26 -4.98 115.26 97.28 3kpg n ASN 234 Ca -0.05 -0.25 -0.17 0.00 -0.03 0.00 0.00 54.58 54.08 3kpg n ASN 234 Cb 0.56 -4.60 -0.14 0.00 -0.61 0.00 0.00 39.78 35.00 3kpg n ASN 234 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kpg s LYS 235 N -5.64 0.63 -0.24 3.52 1.02 0.12 -1.54 119.74 117.61 3kpg s LYS 235 Ca 0.27 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 55.78 3kpg s LYS 235 Cb -0.12 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 3kpg s LYS 235 CO 0.33 0.15 0.12 1.41 -0.92 0.00 0.00 175.35 176.44 3kpg s MET 236 N -0.47 3.91 -0.38 1.68 -2.45 0.13 -0.77 119.30 120.96 3kpg s MET 236 Ca 0.01 -0.35 -0.15 0.00 -1.25 0.00 0.00 55.69 53.95 3kpg s MET 236 Cb -0.04 -3.44 0.00 0.00 1.25 0.00 0.00 34.83 32.59 3kpg s MET 236 CO -0.00 -0.02 0.34 0.71 1.05 0.00 0.00 175.02 177.11 3kpg s TYR 237 N 1.23 3.21 -0.10 4.11 2.02 -0.32 -1.28 117.35 126.22 3kpg s TYR 237 Ca 0.06 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3kpg s TYR 237 Cb -0.14 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.72 3kpg s TYR 237 CO 0.05 -0.53 -0.13 0.08 -1.57 0.00 0.00 175.55 173.45 3kpg s VAL 238 N 1.92 3.08 -0.16 0.71 1.01 -0.52 -0.78 120.40 125.65 3kpg s VAL 238 Ca 0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3kpg s VAL 238 Cb -0.17 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3kpg s VAL 238 CO 0.12 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 174.75 3kpg s THR 239 N -0.09 2.87 -0.14 3.92 2.01 0.12 -0.66 115.64 123.68 3kpg s THR 239 Ca -0.02 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3kpg s THR 239 Cb -0.14 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 3kpg s THR 239 CO 0.04 0.50 0.00 -1.58 -0.69 0.00 0.00 174.62 172.89 3kpg s GLN 240 N 0.86 3.50 0.51 4.92 0.74 -0.00 -1.58 119.66 128.62 3kpg s GLN 240 Ca -0.04 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 54.98 3kpg s GLN 240 Cb -0.15 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 31.01 3kpg s GLN 240 CO -0.00 0.42 0.18 0.14 -0.55 0.00 0.00 175.29 175.48 3kpg s VAL 241 N -0.10 1.47 0.10 1.34 -7.23 -0.71 -0.49 120.40 114.78 3kpg s VAL 241 Ca 0.04 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3kpg s VAL 241 Cb -0.13 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.59 3kpg s VAL 241 CO 0.02 0.00 0.11 -0.90 -0.31 0.00 0.00 175.10 174.02 3kpg n ASP 242 N -1.46 0.86 0.27 4.85 5.68 0.02 -4.69 116.55 122.09 3kpg n ASP 242 Ca -0.10 -1.31 0.13 0.00 -0.50 0.00 0.00 54.79 53.01 3kpg n ASP 242 Cb 0.66 -0.04 0.78 0.00 -1.14 0.00 0.00 41.12 41.37 3kpg n ASP 242 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3kpg h GLU 243 N 0.00 0.00 -0.23 0.11 5.08 -1.98 -0.30 114.58 117.25 3kpg h GLU 243 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kpg h GLU 243 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kpg h GLU 243 CO 0.08 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.80 3kpg n LYS 244 N -3.81 1.99 -1.48 2.33 5.02 -1.26 -4.67 118.16 116.27 3kpg n LYS 244 Ca -0.02 -1.49 -0.01 0.00 -2.02 0.00 0.00 58.31 54.77 3kpg n LYS 244 Cb 0.17 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3kpg n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kpg n GLY 245 N 1.25 0.41 3.62 0.72 0.00 -0.12 -5.05 105.19 106.02 3kpg n GLY 245 Ca 0.17 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 3kpg n GLY 245 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpg s GLU 246 N -2.98 2.60 0.10 1.61 2.02 -1.26 -4.77 118.70 116.02 3kpg s GLU 246 Ca 0.00 -0.70 -0.31 0.00 0.02 0.00 0.00 54.97 53.98 3kpg s GLU 246 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.58 3kpg s GLU 246 CO 0.00 0.61 1.87 2.41 0.02 0.00 0.00 175.26 180.17 3kpg n THR 247 N 1.48 0.47 0.12 3.63 -1.04 -1.26 -0.80 114.28 116.89 3kpg n THR 247 Ca -0.15 -0.08 0.07 0.00 -2.04 0.00 0.00 64.05 61.85 3kpg n THR 247 Cb 0.53 -2.16 -0.11 0.00 -1.82 0.00 0.00 70.33 66.77 3kpg n THR 247 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3kpg n ILE 248 N 4.91 0.00 -3.60 12.58 -6.64 0.35 -4.89 119.36 122.09 3kpg n ILE 248 Ca 0.19 -0.30 -0.04 0.00 -1.77 0.00 0.00 62.75 60.83 3kpg n ILE 248 Cb 0.38 0.33 -0.02 0.00 -1.44 0.00 0.00 39.64 38.89 3kpg n ILE 248 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 3kpg s LYS 249 N -2.88 0.35 0.03 6.28 -2.85 -1.12 -5.03 119.74 114.52 3kpg s LYS 249 Ca -0.03 -0.14 0.07 0.00 -1.00 0.00 0.00 55.97 54.86 3kpg s LYS 249 Cb 0.10 0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 3kpg s LYS 249 CO 0.60 -0.15 -0.19 -1.21 0.10 0.00 0.00 175.35 174.49 3kpg s GLU 250 N -2.46 1.38 0.09 1.78 2.02 -1.26 -0.82 118.70 119.43 3kpg s GLU 250 Ca 0.10 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.29 3kpg s GLU 250 Cb -0.00 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 3kpg s GLU 250 CO -0.05 0.37 -0.14 -1.64 0.02 0.00 0.00 175.26 173.83 3kpg s MET 251 N -0.96 0.88 -0.24 1.61 -1.94 0.16 -5.01 119.30 113.81 3kpg s MET 251 Ca 0.07 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 3kpg s MET 251 Cb -0.08 -0.84 0.06 0.00 2.01 0.00 0.00 34.83 35.98 3kpg s MET 251 CO 0.01 0.17 -0.06 0.08 -0.01 0.00 0.00 175.02 175.21 3kpg s VAL 252 N -1.62 1.63 -0.21 -6.03 1.01 -1.26 -1.44 120.40 112.48 3kpg s VAL 252 Ca 0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 3kpg s VAL 252 Cb -0.08 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3kpg s VAL 252 CO 0.02 -0.08 -0.01 -0.76 0.00 0.00 0.00 175.10 174.27 3kpg s LEU 253 N 1.35 3.12 0.29 3.92 1.43 -0.41 -4.93 118.68 123.46 3kpg s LEU 253 Ca -0.06 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 3kpg s LEU 253 Cb -0.19 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 3kpg s LEU 253 CO -0.06 0.02 1.20 -2.16 0.23 0.00 0.00 176.35 175.58 3kpg s PRO 254 N 1.24 4.51 -0.11 1.29 0.04 -1.26 0.22 135.00 140.93 3kpg s PRO 254 Ca 0.03 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3kpg s PRO 254 Cb -0.15 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.27 3kpg s PRO 254 CO 0.00 0.02 -0.12 0.08 0.04 0.00 0.00 177.00 177.02 3kpg s VAL 255 N -1.04 1.30 -0.17 -0.36 1.01 -0.59 -4.66 120.40 115.89 3kpg s VAL 255 Ca 0.47 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 3kpg s VAL 255 Cb -0.35 -1.23 -0.23 0.00 0.00 0.00 0.00 36.38 34.57 3kpg s VAL 255 CO 0.45 0.41 0.18 1.17 0.00 0.00 0.00 175.10 177.31 3kpg n LYS 256 N 4.47 0.72 -3.73 2.72 3.00 -0.34 -4.78 118.16 120.22 3kpg n LYS 256 Ca -0.17 0.24 -0.16 0.00 -0.00 0.00 0.00 58.31 58.22 3kpg n LYS 256 Cb 0.51 -1.65 -0.16 0.00 0.00 0.00 0.00 35.03 33.73 3kpg n LYS 256 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3kpg s PHE 257 N -2.54 -0.06 0.06 5.64 2.19 -1.07 -4.88 117.98 117.33 3kpg s PHE 257 Ca -0.26 0.34 -0.02 0.00 0.33 0.00 0.00 56.93 57.32 3kpg s PHE 257 Cb 0.07 -0.24 -0.04 0.00 -1.31 0.00 0.00 43.02 41.51 3kpg s PHE 257 CO 0.71 -0.16 -0.00 0.20 1.83 0.00 0.00 175.22 177.80 3kpg s GLY 258 N 1.51 0.51 -0.24 13.12 0.00 -0.98 -1.74 107.32 119.49 3kpg s GLY 258 Ca -0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 3kpg s GLY 258 CO -0.04 -1.29 0.47 -0.29 0.00 0.00 0.00 173.10 171.95 3kpg s MET 259 N -3.93 0.40 -0.08 2.90 0.00 -0.56 0.18 119.30 118.21 3kpg s MET 259 Ca 0.09 0.95 0.04 0.00 0.00 0.00 0.00 55.69 56.77 3kpg s MET 259 Cb 0.08 0.21 0.00 0.00 0.00 0.00 0.00 34.83 35.12 3kpg s MET 259 CO -0.08 -0.41 -0.20 -1.64 0.00 0.00 0.00 175.02 172.69 3kpg s MET 260 N 2.67 2.46 -0.02 4.11 -1.94 -1.17 -1.28 119.30 124.13 3kpg s MET 260 Ca 0.05 -0.71 -0.30 0.00 -1.71 0.00 0.00 55.69 53.02 3kpg s MET 260 Cb -0.13 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.72 3kpg s MET 260 CO -0.16 0.15 1.51 0.42 -0.01 0.00 0.00 175.02 176.93 3kpg s ILE 261 N 0.38 3.61 0.70 2.53 -1.09 0.03 -4.81 121.20 122.55 3kpg s ILE 261 Ca -0.15 0.92 -0.10 0.00 -2.23 0.00 0.00 60.65 59.09 3kpg s ILE 261 Cb -0.16 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 3kpg s ILE 261 CO 0.06 -0.03 1.06 -2.16 -1.23 0.00 0.00 174.94 172.64 3kpg s PRO 262 N 3.03 2.65 0.60 2.79 0.04 -1.26 -0.14 135.00 142.71 3kpg s PRO 262 Ca 0.67 0.23 -0.18 0.00 0.04 0.00 0.00 61.00 61.76 3kpg s PRO 262 Cb -0.32 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3kpg s PRO 262 CO 0.27 -1.08 1.14 0.00 0.04 0.00 0.00 177.00 177.37 3kpg s ALA 263 N -3.31 2.56 -0.14 8.56 0.00 -1.26 -4.54 121.76 123.64 3kpg s ALA 263 Ca 0.58 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 3kpg s ALA 263 Cb -0.11 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3kpg s ALA 263 CO 0.49 -1.06 0.10 -0.06 0.00 0.00 0.00 175.76 175.23 3kpg s PHE 264 N -1.94 3.43 0.47 0.00 0.08 -1.26 -1.51 117.98 117.26 3kpg s PHE 264 Ca 0.72 0.36 0.02 0.00 0.12 0.00 0.00 56.93 58.15 3kpg s PHE 264 Cb -0.24 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 3kpg s PHE 264 CO 0.34 0.52 0.06 0.15 -0.10 0.00 0.00 175.22 176.19 3kpg s LYS 265 N -0.55 2.10 0.44 0.44 1.02 -0.10 -4.93 119.74 118.16 3kpg s LYS 265 Ca 0.12 -2.33 -0.21 0.00 0.02 0.00 0.00 55.97 53.57 3kpg s LYS 265 Cb -0.12 -1.13 -0.10 0.00 -0.52 0.00 0.00 37.83 35.96 3kpg s LYS 265 CO 0.02 -0.43 0.96 0.20 -0.92 0.00 0.00 175.35 175.18 3kpg s GLY 266 N -3.77 2.38 0.53 -3.33 0.00 -0.54 0.61 107.32 103.20 3kpg s GLY 266 Ca 0.12 0.41 -0.20 0.00 0.00 0.00 0.00 44.72 45.04 3kpg s GLY 266 CO 0.08 0.69 1.17 -1.34 0.00 0.00 0.00 173.10 173.70 3kpg s VAL 267 N -2.19 2.94 0.25 1.40 -7.23 -1.26 -4.50 120.40 109.80 3kpg s VAL 267 Ca 0.62 0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 61.38 3kpg s VAL 267 Cb -0.10 -3.27 0.23 0.00 0.56 0.00 0.00 36.38 33.79 3kpg s VAL 267 CO 0.15 -0.09 1.84 -0.65 -0.31 0.00 0.00 175.10 176.04 3kpg h PRO 268 N 1.36 0.91 -0.37 4.82 0.11 -1.96 0.97 132.00 137.85 3kpg h PRO 268 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3kpg h PRO 268 Cb 1.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3kpg h PRO 268 CO 0.57 0.60 0.16 0.00 -0.21 0.00 0.00 178.00 179.12 3kpg h ALA 269 N 1.44 1.59 0.03 -0.75 0.00 -1.84 0.00 119.26 119.73 3kpg h ALA 269 Ca 0.40 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3kpg h ALA 269 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kpg h ALA 269 CO -0.21 0.33 -0.67 0.28 0.00 0.00 0.00 179.25 178.98 3kpg h VAL 270 N 0.52 1.39 -0.27 0.00 2.07 -1.74 -3.33 116.25 114.89 3kpg h VAL 270 Ca 0.13 -2.33 0.08 0.00 0.82 0.00 0.00 66.70 65.40 3kpg h VAL 270 Cb 0.09 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3kpg h VAL 270 CO -0.02 0.55 0.20 0.00 0.02 0.00 0.00 177.57 178.32 3kpg h ALA 271 N -0.14 2.19 0.00 1.67 0.00 -0.75 -1.70 119.26 120.53 3kpg h ALA 271 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kpg h ALA 271 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kpg h ALA 271 CO -0.04 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.28 3kpg n GLY 272 N -1.56 -1.12 3.61 0.00 0.00 -0.02 -4.69 105.19 101.40 3kpg n GLY 272 Ca 0.03 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3kpg n GLY 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpg s VAL 273 N -2.61 4.21 -0.03 1.61 1.01 -0.64 -4.96 120.40 118.99 3kpg s VAL 273 Ca 0.22 1.27 -0.36 0.00 0.00 0.00 0.00 61.98 63.11 3kpg s VAL 273 Cb 0.16 -4.53 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 3kpg s VAL 273 CO 0.38 -0.91 1.66 1.21 0.00 0.00 0.00 175.10 177.44 3kpg n GLU 274 N 7.73 1.74 -0.98 2.72 2.13 -1.26 -1.67 120.64 131.04 3kpg n GLU 274 Ca 0.12 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3kpg n GLU 274 Cb 0.49 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.81 3kpg n GLU 274 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kpg n GLY 275 N 3.71 0.85 0.13 8.31 0.00 -1.26 -4.88 105.19 112.06 3kpg n GLY 275 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3kpg n GLY 275 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpg h LEU 276 N 0.00 0.56 -9.23 0.99 5.85 -1.68 -3.44 115.31 108.36 3kpg h LEU 276 Ca 0.00 -0.75 -0.61 0.00 0.84 0.00 0.00 57.88 57.36 3kpg h LEU 276 Cb 0.01 -0.18 -0.14 0.00 0.37 0.00 0.00 40.66 40.72 3kpg h LEU 276 CO 0.00 1.62 -0.75 0.00 -0.34 0.00 0.00 178.44 178.96 3kpg s ASN 278 N -3.52 1.53 0.60 0.00 2.20 -0.35 -4.85 114.94 110.55 3kpg s ASN 278 Ca 0.30 0.35 0.36 0.00 -0.94 0.00 0.00 52.86 52.93 3kpg s ASN 278 Cb -0.05 -0.40 1.93 0.00 -2.00 0.00 0.00 41.25 40.74 3kpg s ASN 278 CO 0.15 -3.72 2.23 -0.65 -2.94 0.00 0.00 177.10 172.17 3kpg h PRO 279 N -2.31 0.00 0.00 3.55 0.11 -2.01 -0.82 132.00 130.51 3kpg h PRO 279 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kpg h PRO 279 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kpg h PRO 279 CO 0.30 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 3kpg n GLY 280 N -0.91 -1.55 0.71 -0.55 0.00 -1.26 -4.91 105.19 96.73 3kpg n GLY 280 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kpg n GLY 280 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpg n GLY 281 N 1.24 0.79 3.80 -0.02 0.00 -0.31 -1.46 105.19 109.23 3kpg n GLY 281 Ca 0.06 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3kpg n GLY 281 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kpg s PHE 282 N -2.00 3.57 0.00 1.61 0.08 -1.26 -3.77 117.98 116.22 3kpg s PHE 282 Ca 0.00 0.67 -0.30 0.00 0.12 0.00 0.00 56.93 57.42 3kpg s PHE 282 Cb 0.00 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.20 3kpg s PHE 282 CO 0.00 0.50 1.48 0.08 -0.10 0.00 0.00 175.22 177.19 3kpg s VAL 283 N -0.42 3.56 -0.46 -0.44 1.01 -0.02 -1.21 120.40 122.42 3kpg s VAL 283 Ca 0.17 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.80 3kpg s VAL 283 Cb -0.14 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3kpg s VAL 283 CO 0.06 -0.01 1.08 -0.76 0.00 0.00 0.00 175.10 175.47 3kpg s LEU 284 N 2.66 3.75 0.29 3.92 1.43 -0.97 -1.07 118.68 128.69 3kpg s LEU 284 Ca 0.67 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.32 3kpg s LEU 284 Cb -0.33 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3kpg s LEU 284 CO 0.28 -1.17 -0.18 0.68 0.23 0.00 0.00 176.35 176.19 3kpg s VAL 285 N 4.21 2.40 0.29 -1.59 -7.23 -1.26 -1.56 120.40 115.64 3kpg s VAL 285 Ca 0.45 -2.36 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 3kpg s VAL 285 Cb -0.08 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.57 3kpg s VAL 285 CO 0.29 -0.37 0.39 -0.90 -0.31 0.00 0.00 175.10 174.20 3kpg n ASP 286 N -0.64 0.29 0.05 4.85 3.85 -0.05 -4.87 116.55 120.03 3kpg n ASP 286 Ca -0.05 -1.30 0.09 0.00 -0.71 0.00 0.00 54.79 52.82 3kpg n ASP 286 Cb 0.61 -0.28 0.39 0.00 -1.35 0.00 0.00 41.12 40.49 3kpg n ASP 286 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3kpg n GLU 287 N -1.77 0.08 -0.34 0.11 1.02 -1.26 -1.50 120.64 116.98 3kpg n GLU 287 Ca 0.06 0.32 0.11 0.00 -0.02 0.00 0.00 57.16 57.62 3kpg n GLU 287 Cb 0.20 -1.65 0.30 0.00 -0.02 0.00 0.00 31.44 30.27 3kpg n GLU 287 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kpg n HIS 288 N -1.80 0.90 -1.07 -0.32 8.25 -1.26 -3.33 115.22 116.59 3kpg n HIS 288 Ca 0.03 -0.45 -0.02 0.00 -0.26 0.00 0.00 57.72 57.02 3kpg n HIS 288 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 3kpg n HIS 288 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kpg n GLN 289 N 1.49 -0.70 -3.34 -0.41 1.13 -0.56 -4.41 117.38 110.58 3kpg n GLN 289 Ca 0.23 0.36 -0.38 0.00 -1.94 0.00 0.00 57.00 55.26 3kpg n GLN 289 Cb 0.57 -4.00 -0.06 0.00 0.11 0.00 0.00 30.24 26.86 3kpg n GLN 289 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3kpg s ARG 290 N -1.30 4.24 0.37 -1.09 3.52 -1.26 -1.56 118.95 121.87 3kpg s ARG 290 Ca 0.00 0.50 -0.26 0.00 -0.13 0.00 0.00 55.73 55.84 3kpg s ARG 290 Cb 0.00 -3.36 -0.12 0.00 -1.56 0.00 0.00 34.95 29.91 3kpg s ARG 290 CO 0.00 0.33 0.97 0.45 -0.81 0.00 0.00 175.30 176.25 3kpg n SER 291 N 3.01 1.11 -0.01 -2.12 2.88 0.89 -0.87 113.62 118.51 3kpg n SER 291 Ca -0.09 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.68 3kpg n SER 291 Cb 0.52 -1.31 0.68 0.00 -0.75 0.00 0.00 64.21 63.35 3kpg n SER 291 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kpg n LYS 292 N 0.42 0.25 -0.08 -1.46 5.02 -0.60 -3.94 118.16 117.77 3kpg n LYS 292 Ca 0.09 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3kpg n LYS 292 Cb 0.36 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 3kpg n LYS 292 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kpg n LYS 293 N -1.36 0.47 -4.07 1.97 4.81 -1.26 -4.97 118.16 113.73 3kpg n LYS 293 Ca 0.11 0.09 -0.32 0.00 -0.87 0.00 0.00 58.31 57.32 3kpg n LYS 293 Cb 0.29 -1.32 -0.16 0.00 0.02 0.00 0.00 35.03 33.86 3kpg n LYS 293 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kpg s TYR 294 N -2.32 2.65 0.43 5.64 1.51 -1.25 -5.01 117.35 119.00 3kpg s TYR 294 Ca -0.21 -1.62 0.10 0.00 -1.01 0.00 0.00 57.07 54.33 3kpg s TYR 294 Cb 0.05 -1.81 0.95 0.00 -0.11 0.00 0.00 41.96 41.05 3kpg s TYR 294 CO 0.37 -0.78 2.05 0.00 -1.11 0.00 0.00 175.55 176.08 3kpg h ALA 295 N 7.95 1.74 -0.42 3.71 0.00 -1.94 -1.80 119.26 128.49 3kpg h ALA 295 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kpg h ALA 295 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kpg h ALA 295 CO 0.57 0.22 0.00 0.27 0.00 0.00 0.00 179.25 180.31 3kpg n ASN 296 N -4.45 2.90 -4.20 0.00 2.04 -1.26 -4.79 115.26 105.50 3kpg n ASN 296 Ca 0.01 -2.18 -0.34 0.00 -0.44 0.00 0.00 54.58 51.62 3kpg n ASN 296 Cb 0.12 -0.40 -0.15 0.00 -2.53 0.00 0.00 39.78 36.82 3kpg n ASN 296 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3kpg s ILE 297 N -1.61 2.70 0.36 1.53 1.01 -0.68 -1.10 121.20 123.41 3kpg s ILE 297 Ca 0.31 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.25 3kpg s ILE 297 Cb 0.19 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3kpg s ILE 297 CO 0.17 0.43 0.15 -0.36 0.00 0.00 0.00 174.94 175.33 3kpg s PHE 298 N 1.36 2.67 0.03 3.97 0.08 0.53 -0.08 117.98 126.55 3kpg s PHE 298 Ca 0.04 -0.44 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 3kpg s PHE 298 Cb -0.14 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 3kpg s PHE 298 CO -0.08 0.29 0.32 0.00 -0.10 0.00 0.00 175.22 175.65 3kpg s ALA 299 N -2.48 -0.75 0.10 5.36 0.00 -0.60 -0.57 121.76 122.82 3kpg s ALA 299 Ca 0.39 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 3kpg s ALA 299 Cb -0.01 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.42 3kpg s ALA 299 CO 0.23 -0.38 0.50 0.00 0.00 0.00 0.00 175.76 176.11 3kpg s ALA 300 N -2.22 -1.26 0.00 0.00 0.00 -0.60 -4.80 121.76 112.88 3kpg s ALA 300 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3kpg s ALA 300 Cb -0.02 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3kpg s ALA 300 CO -0.01 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3kpg n GLY 301 N 0.03 -1.26 0.30 0.00 0.00 -1.26 -4.04 105.19 98.95 3kpg n GLY 301 Ca -0.17 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.57 3kpg n GLY 301 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kpg h ILE 302 N 0.00 0.64 -0.11 -0.61 2.04 -1.88 -2.65 117.51 114.94 3kpg h ILE 302 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3kpg h ILE 302 Cb 0.00 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3kpg h ILE 302 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.28 3kpg h ALA 303 N 1.95 1.65 -2.30 1.87 0.00 -1.71 -3.44 119.26 117.27 3kpg h ALA 303 Ca 0.02 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.44 3kpg h ALA 303 Cb 0.12 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kpg h ALA 303 CO -0.00 -0.19 0.20 0.96 0.00 0.00 0.00 179.25 180.22 3kpg s ILE 304 N -4.58 4.78 -0.02 0.00 -4.36 -1.00 -0.84 121.20 115.18 3kpg s ILE 304 Ca -0.05 0.61 -0.21 0.00 -0.26 0.00 0.00 60.65 60.74 3kpg s ILE 304 Cb 0.15 -3.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.01 3kpg s ILE 304 CO 0.53 -0.75 0.63 0.00 0.24 0.00 0.00 174.94 175.58 3kpg s ALA 305 N -2.65 3.44 -0.10 2.27 0.00 -0.23 -4.65 121.76 119.83 3kpg s ALA 305 Ca 0.52 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3kpg s ALA 305 Cb -0.10 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.23 3kpg s ALA 305 CO 0.39 0.09 -0.10 0.42 0.00 0.00 0.00 175.76 176.56 3kpg s ILE 306 N 0.09 1.13 0.31 0.00 1.01 -1.26 -4.75 121.20 117.73 3kpg s ILE 306 Ca 0.33 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 3kpg s ILE 306 Cb -0.18 -1.10 -0.12 0.00 0.01 0.00 0.00 42.46 41.07 3kpg s ILE 306 CO 0.17 0.38 1.48 -2.65 0.00 0.00 0.00 174.94 174.32 3kpg n PRO 307 N 4.59 2.46 -2.20 2.79 -0.02 -1.26 -4.96 135.00 136.40 3kpg n PRO 307 Ca -0.16 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 3kpg n PRO 307 Cb 0.50 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3kpg n PRO 307 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kpg s PRO 308 N -1.04 3.52 0.00 0.52 0.04 -1.26 -4.95 135.00 131.83 3kpg s PRO 308 Ca 0.61 1.77 0.11 0.00 0.04 0.00 0.00 61.00 63.53 3kpg s PRO 308 Cb -0.54 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 31.82 3kpg s PRO 308 CO 0.54 -0.75 0.76 1.33 0.04 0.00 0.00 177.00 178.92 3kpg n VAL 309 N -0.87 0.00 -3.71 -0.36 0.24 -1.26 -5.02 118.33 107.35 3kpg n VAL 309 Ca 0.09 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 3kpg n VAL 309 Cb 0.49 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.98 3kpg n VAL 309 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kpg s GLU 310 N -1.11 0.95 -0.28 7.34 2.12 -1.26 -5.10 118.70 121.36 3kpg s GLU 310 Ca 0.11 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.74 3kpg s GLU 310 Cb 0.09 0.41 0.09 0.00 0.26 0.00 0.00 34.13 34.98 3kpg s GLU 310 CO 0.19 -0.34 0.09 -0.08 -0.54 0.00 0.00 175.26 174.58 3kpg s THR 311 N -3.41 0.50 0.37 -1.70 -1.32 -1.26 -5.01 115.64 103.81 3kpg s THR 311 Ca 0.01 -1.01 -0.10 0.00 -1.21 0.00 0.00 61.69 59.38 3kpg s THR 311 Cb 0.02 -1.31 -0.07 0.00 -1.51 0.00 0.00 72.50 69.63 3kpg s THR 311 CO -0.09 -0.59 0.73 0.42 -2.21 0.00 0.00 174.62 172.88 3kpg s THR 312 N 1.82 4.81 0.24 5.08 -4.23 -1.26 -4.99 115.64 117.11 3kpg s THR 312 Ca 0.07 0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 61.09 3kpg s THR 312 Cb -0.17 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.24 3kpg s THR 312 CO -0.25 -0.43 1.63 -0.65 -0.54 0.00 0.00 174.62 174.39 3kpg h PRO 313 N 1.51 0.08 -5.25 3.99 0.11 -1.87 -3.28 132.00 127.30 3kpg h PRO 313 Ca -0.47 -0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 3kpg h PRO 313 Cb 1.18 -0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.11 3kpg h PRO 313 CO 0.65 0.05 -0.58 0.08 -0.21 0.00 0.00 178.00 177.99 3kpg s VAL 314 N -6.14 4.69 0.13 3.15 1.01 -1.26 -4.70 120.40 117.28 3kpg s VAL 314 Ca -0.14 -0.07 -0.35 0.00 0.00 0.00 0.00 61.98 61.43 3kpg s VAL 314 Cb 0.22 -3.12 -0.16 0.00 0.00 0.00 0.00 36.38 33.32 3kpg s VAL 314 CO 0.75 0.45 1.22 -2.65 0.00 0.00 0.00 175.10 174.87 3kpg n PRO 315 N 3.68 1.09 -4.15 2.72 -0.02 -1.24 -4.84 135.00 132.24 3kpg n PRO 315 Ca -0.17 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 3kpg n PRO 315 Cb 0.52 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3kpg n PRO 315 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kpg s THR 316 N 0.07 0.05 0.14 3.45 -4.23 -1.26 0.03 115.64 113.89 3kpg s THR 316 Ca 0.78 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 3kpg s THR 316 Cb -0.91 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 3kpg s THR 316 CO 0.50 -0.22 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.45 3kpg s GLY 317 N -3.09 1.02 0.15 3.99 0.00 -0.02 -4.89 107.32 104.49 3kpg s GLY 317 Ca 0.30 -1.47 -0.19 0.00 0.00 0.00 0.00 44.72 43.35 3kpg s GLY 317 CO 0.06 -1.55 0.65 0.00 0.00 0.00 0.00 173.10 172.26 3kpg s ALA 318 N -3.44 3.51 0.56 3.20 0.00 -1.25 -4.28 121.76 120.06 3kpg s ALA 318 Ca 0.16 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 3kpg s ALA 318 Cb 0.04 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 3kpg s ALA 318 CO -0.00 0.37 1.07 -1.25 0.00 0.00 0.00 175.76 175.95 3kpg s PRO 319 N -1.59 3.40 -0.29 0.00 0.05 -1.13 -4.89 135.00 130.55 3kpg s PRO 319 Ca 0.37 1.35 -0.03 0.00 0.05 0.00 0.00 61.00 62.73 3kpg s PRO 319 Cb -0.18 -2.04 0.03 0.00 0.05 0.00 0.00 34.50 32.37 3kpg s PRO 319 CO 0.21 -0.76 0.01 0.15 0.05 0.00 0.00 177.00 176.66 3kpg s LYS 320 N -3.68 2.74 0.45 4.56 1.02 -1.26 -4.93 119.74 118.63 3kpg s LYS 320 Ca 0.67 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 55.65 3kpg s LYS 320 Cb -0.18 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3kpg s LYS 320 CO 0.31 -0.51 0.18 0.95 -0.92 0.00 0.00 175.35 175.35 3kpg s THR 321 N 1.35 2.00 0.14 2.17 -4.23 -1.26 -4.84 115.64 110.97 3kpg s THR 321 Ca -0.01 -1.73 -0.21 0.00 -1.18 0.00 0.00 61.69 58.55 3kpg s THR 321 Cb -0.18 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.93 3kpg s THR 321 CO -0.01 0.00 1.67 1.23 -0.54 0.00 0.00 174.62 176.97 3kpg h GLY 322 N 1.33 -0.02 1.01 3.99 0.00 -1.96 -1.31 103.07 106.11 3kpg h GLY 322 Ca -0.42 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3kpg h GLY 322 CO 0.69 -0.15 0.46 -1.82 0.00 0.00 0.00 176.54 175.73 3kpg h TYR 323 N -0.15 0.90 -0.34 5.60 3.20 -1.94 -0.11 116.97 124.13 3kpg h TYR 323 Ca 0.11 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 3kpg h TYR 323 Cb 0.32 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3kpg h TYR 323 CO -0.29 0.58 -0.33 1.98 -1.64 0.00 0.00 178.16 178.46 3kpg h MET 324 N 0.97 0.75 -0.39 1.82 4.05 -1.76 -2.42 114.93 117.95 3kpg h MET 324 Ca 0.26 -0.36 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3kpg h MET 324 Cb -0.10 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 3kpg h MET 324 CO -0.05 0.98 0.23 0.82 0.23 0.00 0.00 176.91 179.11 3kpg h ILE 325 N 0.63 1.13 -0.81 1.77 2.04 -0.72 -0.94 117.51 120.62 3kpg h ILE 325 Ca 0.07 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3kpg h ILE 325 Cb 0.87 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3kpg h ILE 325 CO 0.08 0.13 0.53 -0.08 0.00 0.00 0.00 178.15 178.81 3kpg h GLU 326 N 0.51 0.97 -0.59 2.37 4.57 -0.90 -0.48 114.58 121.03 3kpg h GLU 326 Ca 0.14 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 3kpg h GLU 326 Cb 0.01 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3kpg h GLU 326 CO -0.03 0.64 0.02 0.77 -1.18 0.00 0.00 179.01 179.23 3kpg h SER 327 N 1.00 0.97 0.22 1.04 0.02 -0.91 -0.33 113.55 115.56 3kpg h SER 327 Ca 0.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3kpg h SER 327 Cb 0.04 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 3kpg h SER 327 CO -0.09 1.02 -0.13 0.24 -1.14 0.00 0.00 176.83 176.72 3kpg h MET 328 N 0.93 -0.33 -0.22 3.45 2.86 -0.31 -0.96 114.93 120.35 3kpg h MET 328 Ca 0.17 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 3kpg h MET 328 Cb 0.51 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 3kpg h MET 328 CO 0.02 -0.22 -0.10 0.28 1.06 0.00 0.00 176.91 177.96 3kpg h VAL 329 N -0.34 0.67 -0.53 -2.22 2.07 -0.95 -0.02 116.25 114.94 3kpg h VAL 329 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3kpg h VAL 329 Cb 0.28 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3kpg h VAL 329 CO 0.02 0.00 0.28 -1.28 0.02 0.00 0.00 177.57 176.61 3kpg h SER 330 N -0.07 0.41 -0.34 0.57 0.87 -0.97 -0.97 113.55 113.05 3kpg h SER 330 Ca 0.12 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3kpg h SER 330 Cb 0.25 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3kpg h SER 330 CO -0.27 0.28 0.19 0.00 -0.53 0.00 0.00 176.83 176.51 3kpg h ALA 331 N 1.28 0.44 -0.35 6.23 0.00 -0.73 -2.08 119.26 124.05 3kpg h ALA 331 Ca 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kpg h ALA 331 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kpg h ALA 331 CO -0.15 -0.04 0.21 0.00 0.00 0.00 0.00 179.25 179.27 3kpg h ALA 332 N 1.06 0.44 -0.41 0.00 0.00 -0.45 -1.42 119.26 118.49 3kpg h ALA 332 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kpg h ALA 332 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kpg h ALA 332 CO -0.02 -0.06 0.26 0.28 0.00 0.00 0.00 179.25 179.71 3kpg h VAL 333 N 0.45 1.08 -0.27 0.00 2.07 -1.11 -0.87 116.25 117.60 3kpg h VAL 333 Ca 0.12 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3kpg h VAL 333 Cb 0.01 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3kpg h VAL 333 CO -0.02 0.10 0.16 -0.74 0.02 0.00 0.00 177.57 177.08 3kpg h HIS 334 N 0.53 0.30 -0.14 1.57 6.17 -1.13 -2.19 115.15 120.26 3kpg h HIS 334 Ca 0.15 0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.11 3kpg h HIS 334 Cb -0.04 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 3kpg h HIS 334 CO -0.06 0.18 -0.49 -0.91 0.71 0.00 0.00 177.93 177.37 3kpg h ASN 335 N 0.33 0.38 -0.39 3.26 -0.26 -1.04 -1.09 115.58 116.77 3kpg h ASN 335 Ca 0.11 -0.19 -0.07 0.00 -0.56 0.00 0.00 56.30 55.59 3kpg h ASN 335 Cb -0.01 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 3kpg h ASN 335 CO -0.05 0.81 -0.01 0.40 -1.06 0.00 0.00 177.43 177.52 3kpg h ILE 336 N 0.28 1.26 -0.58 2.81 2.04 -1.10 -1.57 117.51 120.65 3kpg h ILE 336 Ca 0.01 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.85 3kpg h ILE 336 Cb 0.96 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3kpg h ILE 336 CO 0.08 0.35 0.38 0.50 0.00 0.00 0.00 178.15 179.46 3kpg h LYS 337 N 0.53 0.76 -0.61 2.37 3.64 -1.22 -1.72 116.57 120.32 3kpg h LYS 337 Ca 0.11 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3kpg h LYS 337 Cb 0.49 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3kpg h LYS 337 CO 0.02 0.50 0.36 0.00 -2.27 0.00 0.00 179.45 178.07 3kpg h ALA 338 N 1.22 0.80 -0.74 5.00 0.00 -1.07 -1.93 119.26 122.54 3kpg h ALA 338 Ca 0.22 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3kpg h ALA 338 Cb -0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3kpg h ALA 338 CO -0.05 0.09 0.40 -0.44 0.00 0.00 0.00 179.25 179.25 3kpg h ASP 339 N 0.71 0.57 0.32 0.00 5.19 -0.73 -0.65 116.42 121.82 3kpg h ASP 339 Ca 0.25 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3kpg h ASP 339 Cb 0.06 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kpg h ASP 339 CO -0.12 0.34 0.00 0.18 -3.12 0.00 0.00 179.24 176.52 3kpg n LEU 340 N -4.79 0.00 -0.51 1.55 4.77 -0.70 -2.99 117.00 114.33 3kpg n LEU 340 Ca 0.11 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.55 3kpg n LEU 340 Cb 0.24 -0.40 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3kpg n LEU 340 CO 0.27 -0.24 0.36 -0.62 -1.33 0.00 0.00 177.39 175.83 3kpg n GLU 341 N -1.40 0.78 0.00 3.23 1.02 -0.33 -5.00 120.64 118.93 3kpg n GLU 341 Ca 0.04 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 3kpg n GLU 341 Cb 0.12 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3kpg n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpg n GLY 342 N -0.67 2.03 3.75 0.62 0.00 -0.97 -5.00 105.19 104.95 3kpg n GLY 342 Ca 0.10 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3kpg n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kpg s ARG 343 N 0.00 2.71 -0.40 1.61 0.52 -0.75 -4.89 118.95 117.75 3kpg s ARG 343 Ca 0.00 1.79 -0.14 0.00 -0.52 0.00 0.00 55.73 56.86 3kpg s ARG 343 Cb 0.00 -1.90 0.02 0.00 0.52 0.00 0.00 34.95 33.59 3kpg s ARG 343 CO 0.00 -1.40 0.28 0.21 0.02 0.00 0.00 175.30 174.40 3kpg s LYS 344 N -3.55 3.00 0.26 3.54 2.20 -1.26 -2.74 119.74 121.19 3kpg s LYS 344 Ca 0.76 -0.99 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 3kpg s LYS 344 Cb -0.30 -3.92 -0.13 0.00 -1.51 0.00 0.00 37.83 31.98 3kpg s LYS 344 CO 0.37 -0.71 1.49 0.41 -0.36 0.00 0.00 175.35 176.55 3kpg n GLY 345 N 5.12 1.02 0.49 5.54 0.00 -1.26 -4.91 105.19 111.20 3kpg n GLY 345 Ca -0.11 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.46 3kpg n GLY 345 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kpg n GLU 346 N 2.09 1.17 -2.02 1.61 -0.58 -1.26 -4.91 120.64 116.74 3kpg n GLU 346 Ca 0.10 -1.18 -0.40 0.00 -0.42 0.00 0.00 57.16 55.26 3kpg n GLU 346 Cb 0.34 -1.25 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 3kpg n GLU 346 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3kpg s GLN 347 N -1.28 4.16 0.46 3.49 0.74 -1.26 -4.97 119.66 121.01 3kpg s GLN 347 Ca 0.15 2.29 0.03 0.00 0.05 0.00 0.00 55.36 57.87 3kpg s GLN 347 Cb 0.11 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.26 3kpg s GLN 347 CO 0.21 -0.38 0.05 0.95 -0.55 0.00 0.00 175.29 175.57 3kpg s THR 348 N -1.17 1.05 0.14 -0.34 -4.23 -1.26 -4.38 115.64 105.45 3kpg s THR 348 Ca 0.52 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.24 3kpg s THR 348 Cb -0.41 -2.32 0.17 0.00 1.34 0.00 0.00 72.50 71.29 3kpg s THR 348 CO 0.54 0.00 1.76 -0.03 -0.54 0.00 0.00 174.62 176.36 3kpg h MET 349 N 1.56 0.00 0.00 3.99 4.05 -1.80 -3.43 114.93 119.29 3kpg h MET 349 Ca -0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3kpg h MET 349 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3kpg h MET 349 CO 0.69 0.31 0.00 0.41 0.23 0.00 0.00 176.91 178.55 3kpg n GLY 350 N 0.22 -1.26 3.74 1.39 0.00 -1.26 -4.69 105.19 103.34 3kpg n GLY 350 Ca -0.00 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3kpg n GLY 350 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kpg s THR 351 N 0.00 3.91 0.41 2.61 2.01 -1.26 -5.00 115.64 118.32 3kpg s THR 351 Ca 0.00 1.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.48 3kpg s THR 351 Cb 0.00 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 3kpg s THR 351 CO 0.00 0.35 1.43 1.87 -0.69 0.00 0.00 174.62 177.58 3kpg n TRP 352 N 1.98 2.74 -3.51 4.92 -0.00 -1.26 -5.01 117.44 117.29 3kpg n TRP 352 Ca 0.01 0.46 -0.13 0.00 -0.00 0.00 0.00 57.50 57.84 3kpg n TRP 352 Cb 0.46 -2.48 -0.04 0.00 -0.00 0.00 0.00 31.31 29.26 3kpg n TRP 352 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3kpg s ASN 353 N -0.31 -0.48 -0.06 5.87 4.22 -1.26 -4.25 114.94 118.67 3kpg s ASN 353 Ca 0.57 0.05 0.02 0.00 -2.14 0.00 0.00 52.86 51.36 3kpg s ASN 353 Cb -0.48 0.54 0.02 0.00 1.28 0.00 0.00 41.25 42.61 3kpg s ASN 353 CO 0.61 -0.85 -0.09 0.00 -2.04 0.00 0.00 177.10 174.73 3kpg s ALA 354 N -3.17 1.05 -0.05 3.54 0.00 -0.34 -4.68 121.76 118.11 3kpg s ALA 354 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3kpg s ALA 354 Cb -0.00 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3kpg s ALA 354 CO -0.08 0.07 -0.08 0.08 0.00 0.00 0.00 175.76 175.76 3kpg s VAL 355 N 0.74 0.78 -0.05 0.00 1.01 -1.26 -1.72 120.40 119.90 3kpg s VAL 355 Ca -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3kpg s VAL 355 Cb -0.15 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3kpg s VAL 355 CO 0.02 0.27 0.13 0.00 0.00 0.00 0.00 175.10 175.53 3kpg s PHE 357 N 0.22 2.06 -0.03 0.00 0.08 -1.26 -1.81 117.98 117.24 3kpg s PHE 357 Ca -0.01 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.54 3kpg s PHE 357 Cb -0.02 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 3kpg s PHE 357 CO -0.01 -0.13 -0.11 0.00 -0.10 0.00 0.00 175.22 174.88 3kpg s ALA 358 N -0.25 1.01 -0.19 5.36 0.00 0.12 -4.99 121.76 122.82 3kpg s ALA 358 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3kpg s ALA 358 Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3kpg s ALA 358 CO 0.01 0.16 -0.06 0.34 0.00 0.00 0.00 175.76 176.22 3kpg s ASP 359 N 0.23 4.32 0.00 0.00 -1.08 -1.26 -0.15 116.67 118.72 3kpg s ASP 359 Ca -0.04 -0.34 0.23 0.00 -0.52 0.00 0.00 52.55 51.88 3kpg s ASP 359 Cb -0.10 -1.72 0.14 0.00 -1.46 0.00 0.00 42.92 39.78 3kpg s ASP 359 CO 0.01 0.04 1.16 0.23 0.52 0.00 0.00 175.17 177.14 3kpg n MET 360 N 4.36 0.41 0.00 4.34 2.81 0.07 -4.95 117.12 124.17 3kpg n MET 360 Ca -0.18 -0.31 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 3kpg n MET 360 Cb 0.51 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3kpg n MET 360 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kpg n GLY 361 N 1.46 2.29 0.01 3.03 0.00 -1.26 -4.81 105.19 105.91 3kpg n GLY 361 Ca 0.07 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.72 3kpg n GLY 361 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kpg n ASP 362 N 0.00 0.57 -3.87 1.61 8.00 -1.26 -5.01 116.55 116.60 3kpg n ASP 362 Ca 0.00 -0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 3kpg n ASP 362 Cb 0.00 1.77 -0.06 0.00 -0.02 0.00 0.00 41.12 42.81 3kpg n ASP 362 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kpg s ARG 363 N -3.28 1.16 0.33 -1.24 1.70 -1.26 -4.41 118.95 111.94 3kpg s ARG 363 Ca -0.05 -1.03 0.03 0.00 -0.47 0.00 0.00 55.73 54.21 3kpg s ARG 363 Cb 0.13 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 3kpg s ARG 363 CO 0.81 -0.44 0.12 0.20 -1.08 0.00 0.00 175.30 174.92 3kpg s GLY 364 N -2.92 2.16 0.10 3.88 0.00 -0.00 -0.75 107.32 109.79 3kpg s GLY 364 Ca 0.12 -1.70 0.09 0.00 0.00 0.00 0.00 44.72 43.23 3kpg s GLY 364 CO -0.03 -1.70 -0.22 0.00 0.00 0.00 0.00 173.10 171.15 3kpg s ALA 365 N -3.46 1.88 0.06 3.20 0.00 0.78 -1.47 121.76 122.75 3kpg s ALA 365 Ca 0.33 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 3kpg s ALA 365 Cb 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3kpg s ALA 365 CO 0.16 0.39 0.37 0.00 0.00 0.00 0.00 175.76 176.68 3kpg s ALA 366 N -1.12 -0.87 0.05 0.00 0.00 -0.05 0.15 121.76 119.93 3kpg s ALA 366 Ca 0.08 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 3kpg s ALA 366 Cb -0.10 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3kpg s ALA 366 CO 0.04 -0.48 0.11 -0.59 0.00 0.00 0.00 175.76 174.83 3kpg s PHE 367 N -2.82 0.22 -0.04 0.00 -0.71 -0.75 -0.27 117.98 113.61 3kpg s PHE 367 Ca -0.03 -0.57 0.01 0.00 -1.04 0.00 0.00 56.93 55.30 3kpg s PHE 367 Cb -0.00 -0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 3kpg s PHE 367 CO -0.05 -0.40 -0.04 0.42 -1.34 0.00 0.00 175.22 173.80 3kpg s ILE 368 N -2.99 0.49 -0.03 -4.49 1.01 -0.30 -2.73 121.20 112.16 3kpg s ILE 368 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 3kpg s ILE 368 Cb 0.01 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 42.00 3kpg s ILE 368 CO -0.06 0.20 0.03 0.00 0.00 0.00 0.00 174.94 175.11 3kpg s ALA 369 N 0.74 0.24 -0.14 9.38 0.00 -0.70 -1.21 121.76 130.06 3kpg s ALA 369 Ca -0.10 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3kpg s ALA 369 Cb -0.13 -0.42 0.09 0.00 0.00 0.00 0.00 23.12 22.66 3kpg s ALA 369 CO 0.00 -0.25 0.79 -0.48 0.00 0.00 0.00 175.76 175.82 3kpg s LEU 370 N 1.47 -0.60 0.00 0.00 -0.00 -0.52 -1.20 118.68 117.82 3kpg s LEU 370 Ca -0.04 0.84 0.00 0.00 -0.00 0.00 0.00 54.13 54.93 3kpg s LEU 370 Cb -0.13 2.33 0.00 0.00 -0.00 0.00 0.00 46.19 48.39 3kpg s LEU 370 CO -0.03 -0.43 0.00 -2.65 -0.00 0.00 0.00 176.35 173.24 3kpg n PRO 371 N 1.40 1.66 -0.08 1.48 -0.02 -1.26 -0.59 135.00 137.59 3kpg n PRO 371 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 3kpg n PRO 371 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.99 3kpg n PRO 371 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3kpg h GLN 372 N 0.00 0.54 -6.37 -0.52 4.15 -1.88 -3.45 115.11 107.58 3kpg h GLN 372 Ca 0.00 -0.27 -0.55 0.00 0.77 0.00 0.00 58.65 58.60 3kpg h GLN 372 Cb 0.00 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3kpg h GLN 372 CO 0.00 0.85 -0.06 -0.51 -1.93 0.00 0.00 178.83 177.18 3kpg s LEU 373 N -9.08 4.32 0.29 -2.39 1.02 -1.26 -5.00 118.68 106.58 3kpg s LEU 373 Ca -0.13 1.11 -0.12 0.00 0.02 0.00 0.00 54.13 55.01 3kpg s LEU 373 Cb 0.07 -3.35 -0.08 0.00 0.02 0.00 0.00 46.19 42.85 3kpg s LEU 373 CO 0.79 0.08 0.66 -0.54 0.02 0.00 0.00 176.35 177.36 3kpg s LYS 374 N -2.04 3.90 0.30 1.70 1.02 -1.26 -3.89 119.74 119.47 3kpg s LYS 374 Ca 0.39 0.49 -0.29 0.00 0.02 0.00 0.00 55.97 56.58 3kpg s LYS 374 Cb -0.15 -2.52 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 3kpg s LYS 374 CO 0.19 0.21 1.16 -2.14 -0.92 0.00 0.00 175.35 173.85 3kpg s PRO 375 N -2.99 4.52 0.66 -1.68 0.02 -1.26 -5.17 135.00 129.10 3kpg s PRO 375 Ca 0.51 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 3kpg s PRO 375 Cb -0.11 -3.12 0.05 0.00 0.02 0.00 0.00 34.50 31.35 3kpg s PRO 375 CO 0.20 0.07 0.95 1.03 -0.33 0.00 0.00 177.00 178.92 3kpg s ARG 376 N -1.61 2.31 -0.02 5.54 0.52 -1.25 -4.87 118.95 119.57 3kpg s ARG 376 Ca 0.47 -0.39 0.11 0.00 -0.52 0.00 0.00 55.73 55.39 3kpg s ARG 376 Cb -0.34 -2.26 -0.23 0.00 0.52 0.00 0.00 34.95 32.64 3kpg s ARG 376 CO 0.44 -1.08 0.74 0.87 0.02 0.00 0.00 175.30 176.29 3kpg h LYS 377 N -0.40 0.02 -3.37 3.54 1.57 -1.19 -3.46 116.57 113.28 3kpg h LYS 377 Ca -0.44 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 57.98 3kpg h LYS 377 Cb 1.31 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 33.27 3kpg h LYS 377 CO 0.58 0.61 -0.72 0.08 -0.57 0.00 0.00 179.45 179.43 3kpg s VAL 378 N -2.61 -0.10 -0.41 0.50 1.01 -0.74 -5.02 120.40 113.02 3kpg s VAL 378 Ca -0.05 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.30 3kpg s VAL 378 Cb 0.08 -0.14 0.17 0.00 0.00 0.00 0.00 36.38 36.48 3kpg s VAL 378 CO 0.82 0.14 0.37 -0.62 0.00 0.00 0.00 175.10 175.80 3kpg s ASP 379 N 1.70 1.32 -0.02 3.32 2.15 -1.25 -1.45 116.67 122.45 3kpg s ASP 379 Ca -0.01 -2.58 0.05 0.00 0.43 0.00 0.00 52.55 50.43 3kpg s ASP 379 Cb -0.12 -0.04 -0.01 0.00 -0.30 0.00 0.00 42.92 42.44 3kpg s ASP 379 CO -0.03 -0.19 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.91 3kpg s VAL 380 N 0.50 1.36 -0.07 1.11 1.01 -0.35 -3.63 120.40 120.33 3kpg s VAL 380 Ca 0.28 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3kpg s VAL 380 Cb -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3kpg s VAL 380 CO -0.12 0.39 -0.17 0.12 0.00 0.00 0.00 175.10 175.32 3kpg s PHE 381 N -0.32 1.82 0.08 5.22 2.19 -1.26 -1.15 117.98 124.55 3kpg s PHE 381 Ca 0.05 -0.65 0.05 0.00 0.33 0.00 0.00 56.93 56.70 3kpg s PHE 381 Cb -0.07 -1.26 -0.03 0.00 -1.31 0.00 0.00 43.02 40.35 3kpg s PHE 381 CO -0.00 -0.28 -0.13 0.00 1.83 0.00 0.00 175.22 176.64 3kpg s ALA 382 N 0.39 1.14 -0.03 11.12 0.00 0.63 -4.85 121.76 130.15 3kpg s ALA 382 Ca -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 3kpg s ALA 382 Cb -0.15 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3kpg s ALA 382 CO 0.05 0.13 0.10 -0.47 0.00 0.00 0.00 175.76 175.56 3kpg s TYR 383 N -1.47 -0.09 0.00 0.00 6.14 -1.26 -0.87 117.35 119.80 3kpg s TYR 383 Ca -0.01 0.23 0.00 0.00 0.64 0.00 0.00 57.07 57.93 3kpg s TYR 383 Cb -0.09 0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.32 3kpg s TYR 383 CO 0.02 -0.07 0.00 0.41 0.64 0.00 0.00 175.55 176.55 3kpg n GLY 384 N 2.88 0.63 0.34 8.97 0.00 -0.54 -4.94 105.19 112.53 3kpg n GLY 384 Ca -0.13 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 3kpg n GLY 384 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kpg h ARG 385 N 0.00 1.00 -0.03 1.61 2.43 -1.87 0.11 114.38 117.63 3kpg h ARG 385 Ca 0.00 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3kpg h ARG 385 Cb 0.00 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3kpg h ARG 385 CO 0.00 0.71 -0.17 0.11 -1.51 0.00 0.00 179.97 179.12 3kpg h TRP 386 N 1.01 0.04 -0.43 2.20 5.08 -1.92 -1.67 115.95 120.26 3kpg h TRP 386 Ca 0.26 -0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.11 3kpg h TRP 386 Cb -0.01 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.12 3kpg h TRP 386 CO 0.00 0.21 -0.22 0.28 -1.28 0.00 0.00 178.44 177.44 3kpg h VAL 387 N 0.04 1.27 -0.24 0.12 2.07 -1.77 -0.54 116.25 117.20 3kpg h VAL 387 Ca 0.01 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3kpg h VAL 387 Cb 0.32 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3kpg h VAL 387 CO 0.02 0.46 0.11 -0.74 0.02 0.00 0.00 177.57 177.45 3kpg h HIS 388 N 0.76 0.35 -0.46 1.57 -0.00 -1.33 -1.25 115.15 114.79 3kpg h HIS 388 Ca 0.10 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3kpg h HIS 388 Cb 0.76 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.04 3kpg h HIS 388 CO 0.04 0.34 0.15 -0.07 -0.00 0.00 0.00 177.93 178.39 3kpg h LEU 389 N 0.25 0.62 -0.45 0.26 3.38 -1.23 -1.85 115.31 116.29 3kpg h LEU 389 Ca 0.08 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kpg h LEU 389 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kpg h LEU 389 CO -0.01 0.59 -0.06 0.00 0.09 0.00 0.00 178.44 179.05 3kpg h ALA 390 N 1.50 0.62 -0.29 1.53 0.00 -0.81 -2.03 119.26 119.77 3kpg h ALA 390 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kpg h ALA 390 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kpg h ALA 390 CO -0.01 0.46 0.09 -0.22 0.00 0.00 0.00 179.25 179.57 3kpg h LYS 391 N 0.68 0.45 -0.63 0.00 1.63 -0.92 -1.23 116.57 116.55 3kpg h LYS 391 Ca 0.12 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 3kpg h LYS 391 Cb 0.58 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.09 3kpg h LYS 391 CO 0.03 0.51 0.35 0.28 -3.45 0.00 0.00 179.45 177.17 3kpg h VAL 392 N 0.31 0.98 -0.37 2.00 2.07 -1.32 -2.03 116.25 117.88 3kpg h VAL 392 Ca 0.09 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3kpg h VAL 392 Cb 0.25 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3kpg h VAL 392 CO -0.00 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.45 3kpg h ALA 393 N 1.32 0.53 -0.58 1.67 0.00 -1.16 -3.03 119.26 118.01 3kpg h ALA 393 Ca 0.28 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kpg h ALA 393 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kpg h ALA 393 CO -0.17 0.54 0.17 0.35 0.00 0.00 0.00 179.25 180.14 3kpg h PHE 394 N 0.63 0.95 -0.21 0.00 3.57 -1.02 -1.65 116.94 119.22 3kpg h PHE 394 Ca 0.07 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kpg h PHE 394 Cb 0.82 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3kpg h PHE 394 CO 0.06 0.80 -0.13 1.49 -2.23 0.00 0.00 178.31 178.30 3kpg h GLU 395 N 0.83 -0.11 -0.02 1.11 4.81 -1.33 0.27 114.58 120.14 3kpg h GLU 395 Ca 0.19 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3kpg h GLU 395 Cb 0.30 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3kpg h GLU 395 CO -0.00 -0.08 -0.56 1.57 -0.73 0.00 0.00 179.01 179.21 3kpg h LYS 396 N -0.12 0.06 0.18 1.92 2.10 -1.41 -1.76 116.57 117.55 3kpg h LYS 396 Ca 0.12 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 3kpg h LYS 396 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3kpg h LYS 396 CO -0.28 0.60 -0.09 -0.92 -2.00 0.00 0.00 179.45 176.76 3kpg h TYR 397 N 0.05 -0.23 -0.98 0.07 3.20 -0.81 -2.23 116.97 116.03 3kpg h TYR 397 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3kpg h TYR 397 Cb 1.00 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 3kpg h TYR 397 CO 0.01 0.10 0.65 0.35 -1.64 0.00 0.00 178.16 177.63 3kpg h PHE 398 N -0.57 1.24 -0.13 -3.82 3.04 -0.36 -0.39 116.94 115.94 3kpg h PHE 398 Ca -0.02 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 3kpg h PHE 398 Cb 0.43 -0.42 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 3kpg h PHE 398 CO 0.03 0.79 -0.02 0.82 -2.02 0.00 0.00 178.31 177.90 3kpg h ILE 399 N 1.34 1.28 -0.48 1.41 2.04 -1.37 -1.37 117.51 120.36 3kpg h ILE 399 Ca 0.36 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3kpg h ILE 399 Cb -0.15 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3kpg h ILE 399 CO -0.08 0.27 0.22 -0.09 0.00 0.00 0.00 178.15 178.47 3kpg h ARG 400 N -0.05 0.43 -0.72 2.37 2.43 -1.17 -2.23 114.38 115.45 3kpg h ARG 400 Ca 0.03 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3kpg h ARG 400 Cb 0.42 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3kpg h ARG 400 CO 0.01 0.28 0.47 0.87 -1.51 0.00 0.00 179.97 180.10 3kpg h LYS 401 N 0.44 0.86 0.00 0.20 1.79 -0.93 0.91 116.57 119.84 3kpg h LYS 401 Ca 0.21 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3kpg h LYS 401 Cb 0.15 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3kpg h LYS 401 CO -0.17 0.57 0.00 0.52 -1.08 0.00 0.00 179.45 179.29 3kpg h MET 402 N 0.89 0.00 0.02 3.15 2.86 -0.64 -0.23 114.93 120.98 3kpg h MET 402 Ca 0.28 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.58 3kpg h MET 402 Cb 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 3kpg h MET 402 CO -0.08 0.00 -2.07 1.63 1.06 0.00 0.00 176.91 177.45 3kpg n LYS 403 N -2.52 0.67 0.07 1.72 5.02 0.01 -4.59 118.16 118.53 3kpg n LYS 403 Ca 0.01 0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 3kpg n LYS 403 Cb 0.24 -1.66 -0.15 0.00 -0.02 0.00 0.00 35.03 33.45 3kpg n LYS 403 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3kpg h MET 404 N 0.01 0.37 0.00 1.97 2.86 -0.66 -3.46 114.93 116.02 3kpg h MET 404 Ca -0.43 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 56.58 3kpg h MET 404 Cb 2.08 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.97 3kpg h MET 404 CO 0.04 1.29 0.00 0.41 1.06 0.00 0.00 176.91 179.72 3kpg n GLY 405 N 1.86 3.24 3.03 8.32 0.00 -0.12 -5.08 105.19 116.44 3kpg n GLY 405 Ca -0.25 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 3kpg n GLY 405 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kpg s VAL 406 N -2.77 1.52 0.00 1.61 1.01 -1.26 -4.86 120.40 115.65 3kpg s VAL 406 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kpg s VAL 406 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3kpg s VAL 406 CO 0.00 0.45 0.17 -1.54 0.00 0.00 0.00 175.10 174.18 3kpg n SER 407 N 4.59 0.34 -4.06 3.32 3.41 -1.26 -3.96 113.62 116.00 3kpg n SER 407 Ca -0.17 -0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 57.57 3kpg n SER 407 Cb 0.50 0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 3kpg n SER 407 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3kpg s GLU 408 N -0.36 1.64 -0.03 4.33 1.03 -1.26 -5.05 118.70 119.00 3kpg s GLU 408 Ca 0.00 -1.94 -0.30 0.00 0.03 0.00 0.00 54.97 52.76 3kpg s GLU 408 Cb 0.00 -0.24 -0.08 0.00 -0.80 0.00 0.00 34.13 33.01 3kpg s GLU 408 CO 0.00 -0.42 1.99 -2.14 -1.33 0.00 0.00 175.26 173.36 3kpg s PRO 409 N -3.82 3.93 0.11 -4.83 0.02 -1.26 -4.89 135.00 124.26 3kpg s PRO 409 Ca 0.34 2.44 -0.28 0.00 0.02 0.00 0.00 61.00 63.52 3kpg s PRO 409 Cb 0.05 -4.19 -0.10 0.00 0.02 0.00 0.00 34.50 30.28 3kpg s PRO 409 CO 0.17 -1.19 1.46 0.35 -0.33 0.00 0.00 177.00 177.46 3kpg h PHE 410 N 11.45 -1.43 0.00 6.54 3.57 -1.98 -3.01 116.94 132.08 3kpg h PHE 410 Ca -0.47 0.07 -0.18 0.00 3.53 0.00 0.00 57.97 60.92 3kpg h PHE 410 Cb 1.23 0.66 -0.03 0.00 2.79 0.00 0.00 35.95 40.60 3kpg h PHE 410 CO 0.95 -0.42 0.49 0.66 -2.23 0.00 0.00 178.31 177.75 3kpg n TYR 411 N -4.96 0.30 1.38 0.41 4.02 -1.26 -3.65 117.16 113.40 3kpg n TYR 411 Ca -0.03 -1.19 0.08 0.00 -0.01 0.00 0.00 57.90 56.74 3kpg n TYR 411 Cb 0.29 -1.29 0.30 0.00 -0.02 0.00 0.00 39.34 38.62 3kpg n TYR 411 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3kpg n GLU 412 N 2.95 1.51 -0.02 -0.72 -0.00 -1.14 -3.85 120.64 119.38 3kpg n GLU 412 Ca 0.32 -0.78 0.24 0.00 -0.00 0.00 0.00 57.16 56.93 3kpg n GLU 412 Cb 0.50 -1.29 0.71 0.00 -0.00 0.00 0.00 31.44 31.36 3kpg n GLU 412 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3kpg h LYS 413 N 1.45 0.00 0.00 3.44 1.57 -1.88 -0.57 116.57 120.57 3kpg h LYS 413 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kpg h LYS 413 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kpg h LYS 413 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.16 3kpg n VAL 414 N -3.80 0.00 0.29 0.50 0.31 -1.25 -3.12 118.33 111.26 3kpg n VAL 414 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.49 3kpg n VAL 414 Cb 0.82 -0.76 0.17 0.00 -0.91 0.00 0.00 33.84 33.16 3kpg n VAL 414 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kpg n LEU 415 N -0.85 0.00 0.00 7.52 -0.00 -0.22 -2.66 117.00 120.79 3kpg n LEU 415 Ca 0.03 0.39 0.02 0.00 -0.00 0.00 0.00 56.01 56.45 3kpg n LEU 415 Cb 0.01 -0.39 0.13 0.00 -0.00 0.00 0.00 43.42 43.18 3kpg n LEU 415 CO 0.02 -0.29 0.38 2.22 -0.00 0.00 0.00 177.39 179.72 3kpg n PHE 416 N -1.39 0.00 -0.03 1.47 -1.74 -1.18 -2.02 117.46 112.58 3kpg n PHE 416 Ca 0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.77 3kpg n PHE 416 Cb 0.07 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 40.93 3kpg n PHE 416 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3kpg n LYS 417 N -0.64 0.69 0.00 3.97 4.76 -1.09 -5.26 118.16 120.60 3kpg n LYS 417 Ca 0.03 0.24 0.15 0.00 -2.87 0.00 0.00 58.31 55.86 3kpg n LYS 417 Cb 0.02 -1.71 0.66 0.00 -1.84 0.00 0.00 35.03 32.16 3kpg n LYS 417 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70