#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkd s GLU 3 N 0.00 2.35 -0.32 5.56 8.01 -1.18 -4.52 118.70 128.60 3hkd s GLU 3 Ca 0.00 -1.78 -0.04 0.00 0.01 0.00 0.00 54.97 53.17 3hkd s GLU 3 Cb 0.00 -2.35 0.19 0.00 -4.31 0.00 0.00 34.13 27.66 3hkd s GLU 3 CO 0.00 -0.59 0.87 0.00 0.01 0.00 0.00 175.26 175.55 3hkd s ILE 5 N 2.58 5.27 -0.17 0.00 1.01 -1.02 -4.64 121.20 124.21 3hkd s ILE 5 Ca 0.19 0.60 -0.18 0.00 0.00 0.00 0.00 60.65 61.26 3hkd s ILE 5 Cb -0.03 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3hkd s ILE 5 CO -0.20 0.33 0.49 -0.44 0.00 0.00 0.00 174.94 175.12 3hkd s SER 6 N 0.73 6.58 -0.15 3.58 0.01 -0.59 -1.50 113.70 122.37 3hkd s SER 6 Ca 0.17 0.70 -0.03 0.00 1.31 0.00 0.00 55.95 58.10 3hkd s SER 6 Cb -0.14 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3hkd s SER 6 CO 0.06 -0.10 -0.06 -0.63 0.41 0.00 0.00 173.24 172.91 3hkd s ILE 7 N 1.25 3.71 -0.31 1.44 1.01 0.81 -0.41 121.20 128.71 3hkd s ILE 7 Ca 0.24 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.49 3hkd s ILE 7 Cb -0.15 -2.61 0.09 0.00 0.01 0.00 0.00 42.46 39.80 3hkd s ILE 7 CO 0.10 0.50 0.04 -1.00 0.00 0.00 0.00 174.94 174.58 3hkd s HIS 8 N 0.32 2.91 -0.13 3.97 3.76 -0.62 0.38 115.29 125.88 3hkd s HIS 8 Ca -0.05 -2.39 -0.07 0.00 -0.15 0.00 0.00 55.06 52.39 3hkd s HIS 8 Cb -0.14 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 3hkd s HIS 8 CO 0.04 -0.89 0.13 0.14 -0.85 0.00 0.00 174.74 173.30 3hkd s VAL 9 N 1.20 5.44 0.00 -0.90 -7.23 -0.41 -1.88 120.40 116.63 3hkd s VAL 9 Ca 0.07 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 3hkd s VAL 9 Cb -0.19 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.37 3hkd s VAL 9 CO -0.12 0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 3hkd n GLY 10 N 2.26 -1.27 0.16 2.32 0.00 -0.09 -3.65 105.19 104.92 3hkd n GLY 10 Ca -0.19 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.61 3hkd n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hkd n GLN 11 N 0.25 -0.04 0.23 1.61 7.27 -1.26 0.12 117.38 125.56 3hkd n GLN 11 Ca 0.00 0.69 -0.13 0.00 0.07 0.00 0.00 57.00 57.63 3hkd n GLN 11 Cb 0.00 -1.06 -0.07 0.00 2.41 0.00 0.00 30.24 31.52 3hkd n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hkd h ALA 12 N 0.90 -0.62 -0.89 1.69 0.00 -1.98 -2.06 119.26 116.31 3hkd h ALA 12 Ca 0.23 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3hkd h ALA 12 Cb 0.40 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 3hkd h ALA 12 CO -0.45 -0.68 -0.48 0.78 0.00 0.00 0.00 179.25 178.42 3hkd h GLY 13 N -0.96 -0.42 0.65 0.00 0.00 0.79 -0.83 103.07 102.29 3hkd h GLY 13 Ca -0.06 0.64 0.08 0.00 0.00 0.00 0.00 47.33 47.99 3hkd h GLY 13 CO 0.10 -0.10 0.62 -2.08 0.00 0.00 0.00 176.54 175.09 3hkd h VAL 14 N -0.06 1.03 0.11 4.60 2.07 -0.90 0.15 116.25 123.24 3hkd h VAL 14 Ca 0.23 -0.37 -0.27 0.00 0.82 0.00 0.00 66.70 67.11 3hkd h VAL 14 Cb 0.52 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3hkd h VAL 14 CO -0.89 0.20 -1.29 1.56 0.02 0.00 0.00 177.57 177.16 3hkd h GLN 15 N 1.08 0.23 -0.12 1.57 4.20 -0.50 0.26 115.11 121.82 3hkd h GLN 15 Ca 0.44 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3hkd h GLN 15 Cb 0.26 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 3hkd h GLN 15 CO -0.20 1.15 -0.11 0.82 -0.67 0.00 0.00 178.83 179.82 3hkd h ILE 16 N 0.06 0.69 -0.06 2.54 5.03 -0.93 -2.34 117.51 122.50 3hkd h ILE 16 Ca -0.15 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.62 3hkd h ILE 16 Cb 1.96 0.69 -0.05 0.00 -3.03 0.00 0.00 36.82 36.39 3hkd h ILE 16 CO 0.18 0.00 -0.48 1.23 -0.68 0.00 0.00 178.15 178.40 3hkd h GLY 17 N -0.12 -1.15 1.24 5.37 0.00 -0.34 -1.25 103.07 106.81 3hkd h GLY 17 Ca 0.08 0.67 0.08 0.00 0.00 0.00 0.00 47.33 48.16 3hkd h GLY 17 CO -0.20 -0.25 0.30 -0.57 0.00 0.00 0.00 176.54 175.82 3hkd h ASN 18 N -0.56 0.00 0.02 0.19 -0.73 -0.44 0.76 115.58 114.82 3hkd h ASN 18 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3hkd h ASN 18 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.21 3hkd h ASN 18 CO -0.36 0.00 -0.14 0.00 -0.37 0.00 0.00 177.43 176.57 3hkd n ALA 19 N -2.33 2.82 0.00 1.57 0.00 -0.57 -2.79 120.51 119.20 3hkd n ALA 19 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3hkd n ALA 19 Cb 0.45 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3hkd n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkd h TRP 21 N 0.00 0.68 -0.86 0.00 4.06 0.17 0.27 115.95 120.27 3hkd h TRP 21 Ca 0.00 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.99 3hkd h TRP 21 Cb 0.42 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.30 3hkd h TRP 21 CO 0.00 0.45 0.55 1.49 -3.56 0.00 0.00 178.44 177.37 3hkd h GLU 22 N 0.72 1.04 0.00 0.49 4.81 -1.72 -0.52 114.58 119.41 3hkd h GLU 22 Ca 0.19 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 3hkd h GLU 22 Cb -0.05 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 3hkd h GLU 22 CO -0.04 0.69 -0.73 1.25 -0.73 0.00 0.00 179.01 179.46 3hkd h LEU 23 N 1.08 0.00 -0.07 1.64 5.85 -1.48 -2.27 115.31 120.05 3hkd h LEU 23 Ca 0.34 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 3hkd h LEU 23 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hkd h LEU 23 CO -0.12 0.56 0.03 1.88 -0.34 0.00 0.00 178.44 180.45 3hkd h TYR 24 N 0.00 0.11 -0.89 1.25 0.99 -0.21 -2.77 116.97 115.45 3hkd h TYR 24 Ca -0.04 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.76 3hkd h TYR 24 Cb 1.46 -0.03 -0.07 0.00 1.00 0.00 0.00 36.73 39.09 3hkd h TYR 24 CO 0.00 0.22 0.55 0.00 -0.00 0.00 0.00 178.16 178.93 3hkd h LEU 26 N 0.97 0.06 -0.65 0.00 4.07 -1.42 -1.33 115.31 117.01 3hkd h LEU 26 Ca 0.40 -0.20 0.11 0.00 0.08 0.00 0.00 57.88 58.27 3hkd h LEU 26 Cb 0.25 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.89 3hkd h LEU 26 CO -0.20 0.25 0.24 -0.33 -1.08 0.00 0.00 178.44 177.32 3hkd h GLU 27 N -0.13 0.40 -0.11 1.13 5.08 -0.98 -1.81 114.58 118.16 3hkd h GLU 27 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hkd h GLU 27 Cb 0.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hkd h GLU 27 CO -0.00 0.27 0.00 0.72 -1.00 0.00 0.00 179.01 178.99 3hkd n HIS 28 N -5.00 0.12 -2.91 4.33 8.25 -0.70 -4.98 115.22 114.32 3hkd n HIS 28 Ca 0.10 -0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 3hkd n HIS 28 Cb 0.32 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.46 3hkd n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkd n GLY 29 N 1.29 -0.97 3.26 -1.41 0.00 -0.60 -5.04 105.19 101.72 3hkd n GLY 29 Ca 0.17 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 46.26 3hkd n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkd s ILE 30 N -3.17 3.08 0.15 -0.61 1.01 -0.65 -4.56 121.20 116.45 3hkd s ILE 30 Ca 0.20 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 3hkd s ILE 30 Cb -0.03 -2.43 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 3hkd s ILE 30 CO 0.63 0.38 1.36 -1.10 0.00 0.00 0.00 174.94 176.21 3hkd s GLN 31 N 1.42 4.35 0.00 2.79 -0.21 -0.99 -4.72 119.66 122.29 3hkd s GLN 31 Ca 0.04 2.07 0.00 0.00 0.02 0.00 0.00 55.36 57.49 3hkd s GLN 31 Cb -0.15 -3.22 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3hkd s GLN 31 CO -0.05 -0.36 0.00 -2.30 -2.12 0.00 0.00 175.29 170.46 3hkd n PRO 32 N 3.38 0.00 0.00 2.91 -0.02 -1.26 -0.35 135.00 139.65 3hkd n PRO 32 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3hkd n PRO 32 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3hkd n PRO 32 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hkd n ASP 33 N -3.22 0.00 0.00 2.55 5.75 -1.26 -3.97 116.55 116.40 3hkd n ASP 33 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 3hkd n ASP 33 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 3hkd n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hkd n GLY 34 N -1.21 2.39 3.73 6.12 0.00 0.52 -4.69 105.19 112.05 3hkd n GLY 34 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hkd n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkd s GLN 35 N -0.07 4.59 -0.08 1.61 1.03 -1.24 -1.51 119.66 123.99 3hkd s GLN 35 Ca 0.00 1.64 0.04 0.00 0.04 0.00 0.00 55.36 57.08 3hkd s GLN 35 Cb 0.00 -3.33 -0.00 0.00 0.03 0.00 0.00 33.01 29.71 3hkd s GLN 35 CO 0.00 0.05 -0.22 0.00 -2.54 0.00 0.00 175.29 172.58 3hkd s MET 36 N 0.03 2.68 -1.47 9.60 0.23 -1.26 -2.34 119.30 126.77 3hkd s MET 36 Ca 0.50 -0.81 -0.11 0.00 -1.03 0.00 0.00 55.69 54.25 3hkd s MET 36 Cb -0.27 -2.10 0.03 0.00 -1.53 0.00 0.00 34.83 30.95 3hkd s MET 36 CO 0.32 0.21 2.43 -2.30 -2.03 0.00 0.00 175.02 173.65 3hkd n PRO 37 N 3.40 3.48 0.00 3.16 -0.02 -1.26 -5.06 135.00 138.70 3hkd n PRO 37 Ca -0.19 -2.73 0.00 0.00 -2.02 0.00 0.00 63.50 58.56 3hkd n PRO 37 Cb 0.53 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 3hkd n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hkd n ASP 47 N 4.36 0.00 0.00 2.55 5.75 -1.26 -5.18 116.55 122.77 3hkd n ASP 47 Ca 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 3hkd n ASP 47 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3hkd n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hkd n SER 48 N 0.00 0.00 -0.88 -1.12 7.64 -1.26 -3.90 113.62 114.10 3hkd n SER 48 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3hkd n SER 48 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 3hkd n SER 48 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 3hkd n PHE 49 N 0.00 0.47 0.87 1.43 -0.00 -1.17 -4.14 117.46 114.91 3hkd n PHE 49 Ca 0.00 -0.33 0.08 0.00 -0.00 0.00 0.00 57.45 57.20 3hkd n PHE 49 Cb 0.00 -0.01 0.43 0.00 -0.00 0.00 0.00 39.48 39.90 3hkd n PHE 49 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3hkd n ASN 50 N 1.02 0.00 0.26 5.98 5.03 -1.25 -2.96 115.26 123.34 3hkd n ASN 50 Ca 0.15 -0.23 0.12 0.00 0.87 0.00 0.00 54.58 55.49 3hkd n ASN 50 Cb 0.49 -0.14 0.68 0.00 -1.02 0.00 0.00 39.78 39.80 3hkd n ASN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hkd h THR 51 N 0.00 0.57 0.00 3.41 1.03 -1.79 -3.37 112.91 112.76 3hkd h THR 51 Ca 0.00 -0.62 -0.03 0.00 -0.01 0.00 0.00 66.41 65.75 3hkd h THR 51 Cb 0.07 1.41 -0.00 0.00 -1.07 0.00 0.00 68.15 68.55 3hkd h THR 51 CO 0.00 0.13 -1.09 0.49 -0.01 0.00 0.00 175.52 175.05 3hkd n PHE 52 N -3.61 0.00 -2.93 0.00 3.01 -1.15 -2.63 117.46 110.14 3hkd n PHE 52 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 3hkd n PHE 52 Cb 0.27 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3hkd n PHE 52 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3hkd s PHE 53 N -2.03 3.40 -0.02 1.38 0.40 -1.22 -1.35 117.98 118.54 3hkd s PHE 53 Ca -0.02 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.86 3hkd s PHE 53 Cb 0.01 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 3hkd s PHE 53 CO 0.03 -0.26 -0.25 -1.54 0.70 0.00 0.00 175.22 173.90 3hkd s SER 54 N -4.15 2.91 0.00 1.36 1.04 -0.24 -4.53 113.70 110.10 3hkd s SER 54 Ca 0.46 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.41 3hkd s SER 54 Cb -0.10 -0.36 -0.17 0.00 0.10 0.00 0.00 66.02 65.49 3hkd s SER 54 CO 0.40 0.30 2.92 -0.62 0.98 0.00 0.00 173.24 177.22 3hkd n GLU 55 N 2.51 1.57 -2.13 4.02 1.02 -1.26 -3.21 120.64 123.15 3hkd n GLU 55 Ca -0.16 -0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 55.95 3hkd n GLU 55 Cb 0.51 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3hkd n GLU 55 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3hkd s THR 56 N 0.75 2.96 0.16 2.62 -1.32 -1.26 -4.78 115.64 114.77 3hkd s THR 56 Ca 0.41 0.81 0.00 0.00 -1.21 0.00 0.00 61.69 61.70 3hkd s THR 56 Cb 0.20 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 67.67 3hkd s THR 56 CO 0.00 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 3hkd n GLY 57 N 2.17 -1.68 2.95 6.08 0.00 -1.26 -4.00 105.19 109.46 3hkd n GLY 57 Ca 0.06 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 3hkd n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkd n ALA 58 N -1.21 4.22 0.00 4.61 0.00 -1.26 -4.58 120.51 122.29 3hkd n ALA 58 Ca 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.75 3hkd n ALA 58 Cb 0.31 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3hkd n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkd n GLY 59 N 1.78 0.26 3.99 0.00 0.00 -1.26 -5.17 105.19 104.78 3hkd n GLY 59 Ca 0.25 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3hkd n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkd s LYS 60 N 0.00 2.33 -0.38 1.61 1.02 -1.26 -3.88 119.74 119.18 3hkd s LYS 60 Ca 0.00 -1.00 0.11 0.00 0.02 0.00 0.00 55.97 55.10 3hkd s LYS 60 Cb 0.00 -2.49 0.34 0.00 -0.52 0.00 0.00 37.83 35.16 3hkd s LYS 60 CO 0.00 -0.87 0.75 0.72 -0.92 0.00 0.00 175.35 175.03 3hkd n HIS 61 N -2.41 -0.22 -1.67 3.18 8.25 -0.57 -4.24 115.22 117.55 3hkd n HIS 61 Ca 0.11 -3.60 -0.45 0.00 -0.26 0.00 0.00 57.72 53.51 3hkd n HIS 61 Cb 0.60 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 3hkd n HIS 61 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3hkd n VAL 62 N 0.41 0.67 -2.08 1.59 0.24 -1.20 -4.61 118.33 113.36 3hkd n VAL 62 Ca 0.23 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 61.97 3hkd n VAL 62 Cb 0.65 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 3hkd n VAL 62 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3hkd s PRO 63 N -0.04 3.75 -1.17 7.34 0.02 -1.26 -1.07 135.00 142.57 3hkd s PRO 63 Ca 0.71 2.04 -0.14 0.00 0.02 0.00 0.00 61.00 63.63 3hkd s PRO 63 Cb -0.67 -2.55 0.17 0.00 0.02 0.00 0.00 34.50 31.47 3hkd s PRO 63 CO 0.47 -0.63 1.38 1.03 -0.33 0.00 0.00 177.00 178.92 3hkd s ARG 64 N -2.50 4.04 0.08 5.54 0.52 -0.45 -4.82 118.95 121.36 3hkd s ARG 64 Ca 0.62 -2.53 -0.04 0.00 -0.52 0.00 0.00 55.73 53.26 3hkd s ARG 64 Cb -0.35 -5.02 -0.03 0.00 0.52 0.00 0.00 34.95 30.07 3hkd s ARG 64 CO 0.44 -1.74 0.07 0.00 0.02 0.00 0.00 175.30 174.08 3hkd s ALA 65 N 1.55 0.34 -0.01 2.13 0.00 -1.26 -1.54 121.76 122.96 3hkd s ALA 65 Ca 0.41 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3hkd s ALA 65 Cb -0.03 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3hkd s ALA 65 CO -0.01 -0.45 -0.05 0.54 0.00 0.00 0.00 175.76 175.79 3hkd s VAL 66 N -3.93 0.43 -0.18 0.00 0.11 0.45 -4.84 120.40 112.44 3hkd s VAL 66 Ca 0.10 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3hkd s VAL 66 Cb 0.07 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 3hkd s VAL 66 CO -0.08 0.13 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.27 3hkd s PHE 67 N 0.05 2.79 -0.04 1.54 0.08 -0.25 -1.59 117.98 120.56 3hkd s PHE 67 Ca -0.00 -1.67 0.04 0.00 0.12 0.00 0.00 56.93 55.42 3hkd s PHE 67 Cb -0.04 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 3hkd s PHE 67 CO -0.00 -0.81 -0.17 0.14 -0.10 0.00 0.00 175.22 174.27 3hkd s VAL 68 N 1.29 1.43 0.05 -0.44 -7.23 -0.79 0.18 120.40 114.89 3hkd s VAL 68 Ca 0.04 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 3hkd s VAL 68 Cb -0.13 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3hkd s VAL 68 CO -0.13 0.41 0.20 -0.62 -0.31 0.00 0.00 175.10 174.65 3hkd s ASP 69 N 0.01 0.05 0.09 4.85 3.68 -0.95 -0.91 116.67 123.49 3hkd s ASP 69 Ca -0.03 -0.43 0.19 0.00 2.13 0.00 0.00 52.55 54.41 3hkd s ASP 69 Cb -0.11 0.30 -0.11 0.00 -1.45 0.00 0.00 42.92 41.56 3hkd s ASP 69 CO 0.02 -0.60 0.85 0.18 0.13 0.00 0.00 175.17 175.75 3hkd n LEU 70 N 0.50 0.80 -4.95 -1.34 4.77 -1.26 -2.82 117.00 112.69 3hkd n LEU 70 Ca -0.18 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 3hkd n LEU 70 Cb 0.60 0.04 0.14 0.00 -2.33 0.00 0.00 43.42 41.87 3hkd n LEU 70 CO 0.22 0.05 0.72 -1.83 -1.33 0.00 0.00 177.39 175.22 3hkd s GLU 71 N -3.07 1.25 0.00 3.23 -1.05 -1.26 -2.54 118.70 115.26 3hkd s GLU 71 Ca -0.03 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 3hkd s GLU 71 Cb 0.09 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 3hkd s GLU 71 CO 0.81 -1.89 0.00 -2.30 0.95 0.00 0.00 175.26 172.83 3hkd n PRO 72 N -3.30 0.00 0.00 -4.83 -0.02 -1.26 -3.60 135.00 121.99 3hkd n PRO 72 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3hkd n PRO 72 Cb 0.60 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3hkd n PRO 72 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3hkd n THR 73 N -0.05 0.00 -0.03 3.45 -1.04 -1.26 -2.16 114.28 113.19 3hkd n THR 73 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 3hkd n THR 73 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 3hkd n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hkd h VAL 74 N 0.00 1.58 0.00 12.58 2.07 -1.99 -2.79 116.25 127.69 3hkd h VAL 74 Ca 0.00 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 3hkd h VAL 74 Cb 0.00 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3hkd h VAL 74 CO 0.00 0.56 -0.04 0.40 0.02 0.00 0.00 177.57 178.51 3hkd h ILE 75 N -0.56 0.74 -0.76 4.57 1.08 -1.75 -2.46 117.51 118.37 3hkd h ILE 75 Ca -0.04 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.23 3hkd h ILE 75 Cb 1.06 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 3hkd h ILE 75 CO 0.05 0.04 0.24 0.44 -0.69 0.00 0.00 178.15 178.23 3hkd h ASP 76 N 0.00 1.10 -1.00 1.72 3.32 -1.64 -2.79 116.42 117.12 3hkd h ASP 76 Ca -0.00 -0.21 0.20 0.00 0.02 0.00 0.00 57.03 57.04 3hkd h ASP 76 Cb 0.08 -0.29 -0.11 0.00 0.22 0.00 0.00 39.33 39.24 3hkd h ASP 76 CO 0.00 1.01 0.61 -0.33 -1.72 0.00 0.00 179.24 178.82 3hkd h GLU 77 N 1.12 0.69 -0.20 3.56 3.07 -1.17 -2.90 114.58 118.76 3hkd h GLU 77 Ca 0.24 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 3hkd h GLU 77 Cb 0.30 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3hkd h GLU 77 CO -0.01 0.46 0.02 0.28 -1.40 0.00 0.00 179.01 178.36 3hkd h VAL 78 N 0.71 1.24 0.00 3.13 2.07 -1.57 -2.12 116.25 119.71 3hkd h VAL 78 Ca 0.58 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3hkd h VAL 78 Cb 0.98 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3hkd h VAL 78 CO -0.38 0.25 0.00 -2.11 0.02 0.00 0.00 177.57 175.34 3hkd n ARG 79 N -4.72 0.84 0.04 1.57 1.85 -1.10 -3.20 116.66 111.95 3hkd n ARG 79 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 3hkd n ARG 79 Cb 0.21 -1.12 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 3hkd n ARG 79 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3hkd n THR 80 N 0.52 0.28 -3.13 8.89 -1.04 -0.83 -4.94 114.28 114.03 3hkd n THR 80 Ca 0.00 0.09 -0.39 0.00 -2.04 0.00 0.00 64.05 61.71 3hkd n THR 80 Cb 0.40 -0.78 -0.05 0.00 -1.82 0.00 0.00 70.33 68.07 3hkd n THR 80 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3hkd s GLY 81 N -3.84 2.45 0.10 3.41 0.00 -1.02 -4.80 107.32 103.63 3hkd s GLY 81 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 44.72 44.38 3hkd s GLY 81 CO 0.00 1.09 0.73 2.41 0.00 0.00 0.00 173.10 177.34 3hkd n THR 82 N 3.91 1.03 0.00 0.90 -1.04 -1.26 -2.65 114.28 115.18 3hkd n THR 82 Ca -0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3hkd n THR 82 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 3hkd n THR 82 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hkd n TYR 83 N 0.65 0.00 -0.57 -1.42 0.53 -1.26 -4.90 117.16 110.19 3hkd n TYR 83 Ca 0.18 0.00 0.46 0.00 -1.02 0.00 0.00 57.90 57.52 3hkd n TYR 83 Cb 0.16 0.00 0.75 0.00 -1.03 0.00 0.00 39.34 39.22 3hkd n TYR 83 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3hkd h ARG 84 N 0.00 0.02 0.00 -0.72 2.43 -1.47 1.33 114.38 115.97 3hkd h ARG 84 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hkd h ARG 84 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3hkd h ARG 84 CO 0.00 0.01 -0.32 1.04 -1.51 0.00 0.00 179.97 179.19 3hkd n GLN 85 N -4.33 0.07 0.00 0.20 1.13 -1.26 -4.38 117.38 108.81 3hkd n GLN 85 Ca 0.41 0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 55.38 3hkd n GLN 85 Cb 1.75 -1.56 -0.14 0.00 0.11 0.00 0.00 30.24 30.40 3hkd n GLN 85 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3hkd h LEU 86 N 0.00 0.13 0.00 1.08 5.85 0.16 -3.42 115.31 119.11 3hkd h LEU 86 Ca 0.00 -0.25 -0.35 0.00 0.84 0.00 0.00 57.88 58.12 3hkd h LEU 86 Cb 0.56 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.56 3hkd h LEU 86 CO 0.00 1.22 -0.07 0.49 -0.34 0.00 0.00 178.44 179.74 3hkd n PHE 87 N -3.21 -2.25 -4.06 1.25 3.72 -1.22 -4.19 117.46 107.51 3hkd n PHE 87 Ca -0.18 -1.50 -0.35 0.00 -0.05 0.00 0.00 57.45 55.37 3hkd n PHE 87 Cb 1.04 -0.37 -0.12 0.00 -0.94 0.00 0.00 39.48 39.09 3hkd n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3hkd s HIS 88 N -1.57 3.08 0.55 1.38 3.76 -1.26 -4.96 115.29 116.25 3hkd s HIS 88 Ca 0.39 -0.35 0.44 0.00 -0.15 0.00 0.00 55.06 55.40 3hkd s HIS 88 Cb -0.03 -2.09 1.51 0.00 1.11 0.00 0.00 32.58 33.08 3hkd s HIS 88 CO 0.25 -0.17 1.45 -0.35 -0.85 0.00 0.00 174.74 175.07 3hkd n PRO 89 N 4.15 0.00 -0.09 8.40 -0.04 -1.26 0.28 135.00 146.44 3hkd n PRO 89 Ca -0.17 1.03 -0.08 0.00 -0.04 0.00 0.00 63.50 64.24 3hkd n PRO 89 Cb 0.52 -2.42 0.08 0.00 -0.04 0.00 0.00 33.50 31.64 3hkd n PRO 89 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3hkd h GLU 90 N 0.00 0.78 0.00 0.54 9.09 -2.02 -3.26 114.58 119.72 3hkd h GLU 90 Ca 0.82 -0.32 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3hkd h GLU 90 Cb 3.49 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 30.55 3hkd h GLU 90 CO -0.01 0.94 0.00 1.04 0.05 0.00 0.00 179.01 181.03 3hkd n GLN 91 N -4.11 0.79 -3.98 1.06 6.02 0.82 -4.39 117.38 113.60 3hkd n GLN 91 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3hkd n GLN 91 Cb 0.44 -1.10 -0.14 0.00 1.02 0.00 0.00 30.24 30.46 3hkd n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hkd s LEU 92 N -1.20 4.64 -0.14 1.08 1.43 -1.23 -1.09 118.68 122.18 3hkd s LEU 92 Ca 0.07 -2.47 -0.20 0.00 -1.03 0.00 0.00 54.13 50.50 3hkd s LEU 92 Cb 0.03 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3hkd s LEU 92 CO 0.06 -0.33 0.59 -0.63 0.23 0.00 0.00 176.35 176.26 3hkd s ILE 93 N 0.47 5.09 0.28 -0.59 1.01 0.13 -4.98 121.20 122.60 3hkd s ILE 93 Ca 0.13 1.16 0.11 0.00 0.00 0.00 0.00 60.65 62.05 3hkd s ILE 93 Cb -0.22 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 3hkd s ILE 93 CO -0.05 0.22 -0.12 0.42 0.00 0.00 0.00 174.94 175.41 3hkd s THR 94 N 1.18 2.77 -0.02 2.92 -4.23 -1.26 -2.23 115.64 114.77 3hkd s THR 94 Ca 0.30 -2.23 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3hkd s THR 94 Cb -0.16 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.22 3hkd s THR 94 CO 0.12 -0.37 1.01 0.61 -0.54 0.00 0.00 174.62 175.45 3hkd n GLY 95 N -0.73 1.05 5.00 3.99 0.00 -1.13 -4.98 105.19 108.40 3hkd n GLY 95 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hkd n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hkd n LYS 96 N -0.21 0.00 -4.41 1.61 4.81 -1.05 -4.84 118.16 114.07 3hkd n LYS 96 Ca 0.02 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 3hkd n LYS 96 Cb 0.68 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.63 3hkd n LYS 96 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3hkd s GLU 97 N 0.00 2.53 0.96 1.64 2.12 -1.11 -4.65 118.70 120.19 3hkd s GLU 97 Ca 0.00 -0.75 -0.12 0.00 0.36 0.00 0.00 54.97 54.46 3hkd s GLU 97 Cb 0.00 -2.49 0.17 0.00 0.26 0.00 0.00 34.13 32.06 3hkd s GLU 97 CO 0.00 0.59 1.09 0.34 -0.54 0.00 0.00 175.26 176.74 3hkd s ASP 98 N -1.55 2.83 0.04 -1.70 -1.08 -1.26 -4.07 116.67 109.87 3hkd s ASP 98 Ca 0.18 1.51 0.24 0.00 -0.52 0.00 0.00 52.55 53.97 3hkd s ASP 98 Cb -0.11 -2.18 0.38 0.00 -1.46 0.00 0.00 42.92 39.54 3hkd s ASP 98 CO 0.09 -3.05 1.32 0.00 0.52 0.00 0.00 175.17 174.05 3hkd n ALA 99 N -4.15 3.41 -3.56 3.66 0.00 -1.26 -4.96 120.51 113.64 3hkd n ALA 99 Ca 0.06 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 3hkd n ALA 99 Cb 0.55 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.92 3hkd n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkd n ALA 100 N -1.63 -2.54 -3.34 0.00 0.00 -1.26 -3.25 120.51 108.49 3hkd n ALA 100 Ca 0.04 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 3hkd n ALA 100 Cb 0.38 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 3hkd n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hkd n ASN 101 N -1.20 -1.33 -3.68 0.00 3.02 -1.26 -4.83 115.26 105.99 3hkd n ASN 101 Ca -0.16 -0.27 -0.09 0.00 -0.03 0.00 0.00 54.58 54.03 3hkd n ASN 101 Cb 0.67 -1.23 -0.10 0.00 -0.61 0.00 0.00 39.78 38.52 3hkd n ASN 101 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hkd s ASN 102 N -2.49 -0.57 0.05 6.41 3.04 -1.20 -4.64 114.94 115.54 3hkd s ASN 102 Ca 0.36 1.06 -0.26 0.00 0.04 0.00 0.00 52.86 54.06 3hkd s ASN 102 Cb -0.21 1.07 -0.17 0.00 -1.54 0.00 0.00 41.25 40.40 3hkd s ASN 102 CO 0.44 -0.21 1.51 0.22 -3.04 0.00 0.00 177.10 176.02 3hkd h TYR 103 N 7.37 -0.24 -0.74 0.43 3.20 -1.87 -2.01 116.97 123.11 3hkd h TYR 103 Ca -0.30 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.69 3hkd h TYR 103 Cb 1.17 0.08 -0.13 0.00 1.54 0.00 0.00 36.73 39.39 3hkd h TYR 103 CO 0.22 -0.01 -0.33 0.00 -1.64 0.00 0.00 178.16 176.39 3hkd h ALA 104 N 0.35 0.09 -0.59 1.82 0.00 -1.92 1.00 119.26 120.00 3hkd h ALA 104 Ca -0.03 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3hkd h ALA 104 Cb 0.33 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3hkd h ALA 104 CO 0.04 -0.63 0.25 -0.09 0.00 0.00 0.00 179.25 178.82 3hkd h ARG 105 N -0.09 0.44 -0.38 0.00 9.65 -1.79 0.21 114.38 122.42 3hkd h ARG 105 Ca 0.29 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.13 3hkd h ARG 105 Cb 0.57 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 3hkd h ARG 105 CO -0.79 0.29 0.17 0.78 2.80 0.00 0.00 179.97 183.22 3hkd h GLY 106 N 0.45 0.59 0.13 2.80 0.00 0.16 -0.25 103.07 106.95 3hkd h GLY 106 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3hkd h GLY 106 CO -0.26 0.28 -0.06 0.84 0.00 0.00 0.00 176.54 177.34 3hkd h HIS 107 N 0.47 -0.15 0.06 5.60 -0.00 -0.11 -3.09 115.15 117.92 3hkd h HIS 107 Ca 0.13 -0.00 -0.37 0.00 -0.00 0.00 0.00 60.37 60.13 3hkd h HIS 107 Cb 0.14 0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 3hkd h HIS 107 CO -0.01 -0.06 -2.17 0.66 -0.00 0.00 0.00 177.93 176.34 3hkd n TYR 108 N -4.89 0.68 -0.08 5.26 4.02 0.72 -3.60 117.16 119.28 3hkd n TYR 108 Ca -0.02 0.16 -0.08 0.00 -0.01 0.00 0.00 57.90 57.95 3hkd n TYR 108 Cb 0.08 -1.09 -0.03 0.00 -0.02 0.00 0.00 39.34 38.28 3hkd n TYR 108 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hkd n THR 109 N -3.29 1.46 0.16 -0.72 -1.04 -1.08 -4.20 114.28 105.58 3hkd n THR 109 Ca -0.35 0.16 0.09 0.00 -2.04 0.00 0.00 64.05 61.91 3hkd n THR 109 Cb 1.04 -2.35 0.08 0.00 -1.82 0.00 0.00 70.33 67.27 3hkd n THR 109 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3hkd h ILE 110 N -1.00 0.22 0.00 12.58 6.09 -1.30 -3.40 117.51 130.70 3hkd h ILE 110 Ca -0.02 -1.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 3hkd h ILE 110 Cb 0.80 1.98 0.00 0.00 0.47 0.00 0.00 36.82 40.07 3hkd h ILE 110 CO -0.01 0.13 0.00 0.61 -3.07 0.00 0.00 178.15 175.81 3hkd n GLY 111 N 1.17 -1.86 0.00 8.18 0.00 -1.17 -3.62 105.19 107.89 3hkd n GLY 111 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hkd n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hkd n LYS 112 N -1.80 0.00 0.09 1.61 5.02 -1.24 -1.15 118.16 120.70 3hkd n LYS 112 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 3hkd n LYS 112 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 3hkd n LYS 112 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hkd h GLU 113 N 0.00 0.42 0.00 1.97 4.39 -1.82 -3.37 114.58 116.17 3hkd h GLU 113 Ca 0.00 -0.72 -0.21 0.00 0.34 0.00 0.00 59.36 58.77 3hkd h GLU 113 Cb 0.00 0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3hkd h GLU 113 CO 0.00 1.35 -1.54 -0.89 -1.16 0.00 0.00 179.01 176.77 3hkd n ILE 114 N -3.78 1.30 -0.35 3.13 -0.00 -0.30 -4.40 119.36 114.96 3hkd n ILE 114 Ca -0.20 -0.72 0.00 0.00 -0.00 0.00 0.00 62.75 61.83 3hkd n ILE 114 Cb 1.02 -0.81 0.14 0.00 -0.00 0.00 0.00 39.64 39.99 3hkd n ILE 114 CO 0.00 0.00 0.00 -0.29 -0.00 0.00 0.00 176.55 176.26 3hkd h ILE 115 N 0.00 1.15 -0.14 1.39 -0.00 -1.67 0.28 117.51 118.52 3hkd h ILE 115 Ca -0.21 -0.41 -0.02 0.00 -0.00 0.00 0.00 64.86 64.22 3hkd h ILE 115 Cb 1.72 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 38.39 3hkd h ILE 115 CO 0.05 0.22 -0.01 0.44 -0.00 0.00 0.00 178.15 178.85 3hkd h ASP 116 N 1.19 0.18 0.04 2.19 3.32 -1.78 -1.23 116.42 120.32 3hkd h ASP 116 Ca 0.39 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 3hkd h ASP 116 Cb 0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3hkd h ASP 116 CO -0.13 0.23 -0.02 0.25 -1.72 0.00 0.00 179.24 177.85 3hkd h LEU 117 N 0.20 -0.04 0.09 1.55 5.85 -0.74 -3.21 115.31 119.01 3hkd h LEU 117 Ca 0.05 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.20 3hkd h LEU 117 Cb 0.16 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3hkd h LEU 117 CO 0.00 0.70 -0.42 0.58 -0.34 0.00 0.00 178.44 178.97 3hkd h VAL 118 N -0.94 0.00 -1.09 1.05 2.07 -1.25 -0.35 116.25 115.73 3hkd h VAL 118 Ca -0.01 0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.93 3hkd h VAL 118 Cb 0.62 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.24 3hkd h VAL 118 CO 0.01 0.00 0.65 -0.11 0.02 0.00 0.00 177.57 178.14 3hkd n LEU 119 N -4.84 0.26 0.06 2.57 7.94 -0.47 0.39 117.00 122.92 3hkd n LEU 119 Ca -0.07 1.42 -0.20 0.00 -1.11 0.00 0.00 56.01 56.06 3hkd n LEU 119 Cb 0.33 -0.70 -0.15 0.00 0.53 0.00 0.00 43.42 43.43 3hkd n LEU 119 CO 0.12 -1.57 -0.45 -0.78 -1.11 0.00 0.00 177.39 173.60 3hkd h ASP 120 N 0.00 0.49 0.51 1.96 1.82 -1.44 -3.01 116.42 116.75 3hkd h ASP 120 Ca 0.80 -0.72 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 3hkd h ASP 120 Cb 2.35 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 42.20 3hkd h ASP 120 CO -0.58 1.61 0.00 -0.09 -1.61 0.00 0.00 179.24 178.57 3hkd h ARG 121 N 0.09 0.00 0.07 0.28 2.43 0.17 -1.29 114.38 116.12 3hkd h ARG 121 Ca -0.30 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.74 3hkd h ARG 121 Cb 2.06 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.62 3hkd h ARG 121 CO 0.17 0.00 -0.55 0.82 -1.51 0.00 0.00 179.97 178.89 3hkd h ILE 122 N 0.00 1.55 0.00 1.20 2.04 -1.24 -3.27 117.51 117.79 3hkd h ILE 122 Ca 0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 3hkd h ILE 122 Cb 0.25 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 3hkd h ILE 122 CO 0.00 0.65 0.11 -0.09 0.00 0.00 0.00 178.15 178.82 3hkd h ARG 123 N -0.44 0.00 -0.14 2.37 9.65 -1.11 0.14 114.38 124.85 3hkd h ARG 123 Ca -0.09 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3hkd h ARG 123 Cb 1.38 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.95 3hkd h ARG 123 CO 0.11 0.00 0.00 -0.22 2.80 0.00 0.00 179.97 182.66 3hkd h LYS 124 N 0.00 0.25 -0.05 0.20 3.64 -1.45 -3.03 116.57 116.13 3hkd h LYS 124 Ca 0.00 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 3hkd h LYS 124 Cb 0.22 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3hkd h LYS 124 CO 0.00 0.47 -0.74 -0.07 -2.27 0.00 0.00 179.45 176.85 3hkd h LEU 125 N -0.01 0.36 -1.47 5.20 3.38 -1.10 -2.56 115.31 119.11 3hkd h LEU 125 Ca 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3hkd h LEU 125 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hkd h LEU 125 CO 0.01 0.98 -0.12 0.00 0.09 0.00 0.00 178.44 179.39 3hkd h ALA 126 N 1.02 1.06 0.00 1.53 0.00 -1.49 -3.12 119.26 118.26 3hkd h ALA 126 Ca -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hkd h ALA 126 Cb 1.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hkd h ALA 126 CO 0.12 0.15 -0.34 -0.44 0.00 0.00 0.00 179.25 178.74 3hkd h ASP 127 N 0.00 0.00 -0.71 0.00 3.45 -1.32 -3.05 116.42 114.79 3hkd h ASP 127 Ca -0.00 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 57.01 3hkd h ASP 127 Cb 0.56 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 39.14 3hkd h ASP 127 CO 0.02 0.29 0.56 0.00 -1.57 0.00 0.00 179.24 178.54 3hkd n GLN 128 N -3.15 2.12 -3.65 3.56 10.64 -1.17 -4.86 117.38 120.86 3hkd n GLN 128 Ca 0.02 -2.16 -0.15 0.00 -1.83 0.00 0.00 57.00 52.88 3hkd n GLN 128 Cb 0.65 -1.86 -0.14 0.00 -0.86 0.00 0.00 30.24 28.03 3hkd n GLN 128 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hkd s THR 130 N 2.36 4.83 0.00 0.00 -4.23 -1.26 -4.20 115.64 113.14 3hkd s THR 130 Ca 0.03 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3hkd s THR 130 Cb -0.12 -4.62 0.00 0.00 1.34 0.00 0.00 72.50 69.10 3hkd s THR 130 CO -0.08 -1.30 0.00 0.61 -0.54 0.00 0.00 174.62 173.32 3hkd n GLY 131 N 5.16 -0.34 3.76 3.99 0.00 -1.26 -4.84 105.19 111.67 3hkd n GLY 131 Ca 0.07 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3hkd n GLY 131 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkd s LEU 132 N -1.50 4.45 0.00 0.99 2.96 -1.26 -3.13 118.68 121.19 3hkd s LEU 132 Ca 0.00 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 3hkd s LEU 132 Cb 0.00 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3hkd s LEU 132 CO 0.00 -0.31 0.04 1.67 -1.32 0.00 0.00 176.35 176.43 3hkd n GLN 133 N 0.88 0.00 -0.16 1.98 7.27 -0.73 -4.82 117.38 121.80 3hkd n GLN 133 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hkd n GLN 133 Cb 0.45 -0.37 0.00 0.00 2.41 0.00 0.00 30.24 32.73 3hkd n GLN 133 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hkd n GLY 134 N 2.35 2.77 3.36 1.69 0.00 -1.26 -3.92 105.19 110.19 3hkd n GLY 134 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 3hkd n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hkd s PHE 135 N -3.85 2.19 -0.29 1.61 0.40 -0.45 -2.44 117.98 115.15 3hkd s PHE 135 Ca 0.00 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 3hkd s PHE 135 Cb 0.00 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.37 3hkd s PHE 135 CO 0.00 0.30 0.02 -0.51 0.70 0.00 0.00 175.22 175.73 3hkd s LEU 136 N -1.98 3.76 -0.42 -0.37 1.43 -0.56 -0.85 118.68 119.68 3hkd s LEU 136 Ca 0.12 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.08 3hkd s LEU 136 Cb -0.10 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.38 3hkd s LEU 136 CO 0.05 -0.22 0.34 -0.69 0.23 0.00 0.00 176.35 176.06 3hkd s VAL 137 N 1.37 5.23 -0.17 -1.59 1.01 -0.27 -0.13 120.40 125.84 3hkd s VAL 137 Ca -0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3hkd s VAL 137 Cb -0.18 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3hkd s VAL 137 CO -0.00 -0.37 0.31 -0.36 0.00 0.00 0.00 175.10 174.67 3hkd s PHE 138 N 1.74 3.44 -0.10 5.22 0.40 0.16 -1.79 117.98 127.04 3hkd s PHE 138 Ca 0.06 0.59 -0.30 0.00 -0.60 0.00 0.00 56.93 56.68 3hkd s PHE 138 Cb -0.20 -2.38 0.10 0.00 0.51 0.00 0.00 43.02 41.05 3hkd s PHE 138 CO 0.10 0.18 0.86 -3.38 0.70 0.00 0.00 175.22 173.68 3hkd s HIS 139 N 0.66 -0.49 0.18 0.36 -3.43 -1.03 -1.28 115.29 110.26 3hkd s HIS 139 Ca 0.17 0.80 -0.30 0.00 -0.80 0.00 0.00 55.06 54.93 3hkd s HIS 139 Cb -0.13 0.44 -0.08 0.00 -1.43 0.00 0.00 32.58 31.38 3hkd s HIS 139 CO 0.05 -0.47 1.08 -1.12 -2.00 0.00 0.00 174.74 172.28 3hkd s SER 140 N -1.24 7.31 0.00 7.38 0.01 -1.26 -1.99 113.70 123.90 3hkd s SER 140 Ca -0.05 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.28 3hkd s SER 140 Cb -0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3hkd s SER 140 CO 0.04 -0.18 0.52 0.33 0.41 0.00 0.00 173.24 174.36 3hkd n PHE 141 N 2.28 0.00 -1.28 2.43 -0.00 -0.83 -3.24 117.46 116.82 3hkd n PHE 141 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.18 3hkd n PHE 141 Cb 0.46 -0.15 0.14 0.00 -0.00 0.00 0.00 39.48 39.93 3hkd n PHE 141 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3hkd s GLY 142 N -0.52 1.60 0.00 7.13 0.00 -1.26 -3.99 107.32 110.29 3hkd s GLY 142 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.54 3hkd s GLY 142 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.04 3hkd n GLY 143 N -1.37 -0.11 0.00 0.20 0.00 -1.26 -4.63 105.19 98.03 3hkd n GLY 143 Ca 0.07 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3hkd n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkd n GLY 144 N 0.21 -0.56 0.29 -0.02 0.00 -1.26 -1.63 105.19 102.22 3hkd n GLY 144 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3hkd n GLY 144 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hkd h THR 145 N 0.00 1.21 -0.77 2.61 1.35 -1.87 -0.49 112.91 114.96 3hkd h THR 145 Ca 0.00 -0.45 0.16 0.00 -0.55 0.00 0.00 66.41 65.58 3hkd h THR 145 Cb 0.00 0.17 -0.11 0.00 -1.73 0.00 0.00 68.15 66.48 3hkd h THR 145 CO 0.00 0.21 0.25 1.23 -0.25 0.00 0.00 175.52 176.97 3hkd h GLY 146 N 1.01 1.15 0.44 5.82 0.00 -1.82 0.30 103.07 109.96 3hkd h GLY 146 Ca 0.27 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3hkd h GLY 146 CO -0.05 -0.18 -0.63 1.48 0.00 0.00 0.00 176.54 177.17 3hkd h SER 147 N 0.35 0.30 0.16 0.19 4.64 -1.21 -3.34 113.55 114.63 3hkd h SER 147 Ca 0.44 -0.95 -0.25 0.00 -0.47 0.00 0.00 61.79 60.56 3hkd h SER 147 Cb 0.74 -0.10 0.03 0.00 -0.31 0.00 0.00 62.40 62.76 3hkd h SER 147 CO -0.48 1.29 -1.09 1.23 -0.87 0.00 0.00 176.83 176.92 3hkd h GLY 148 N -0.55 0.52 0.13 -0.77 0.00 -0.59 -2.50 103.07 99.31 3hkd h GLY 148 Ca -0.12 -1.22 -0.00 0.00 0.00 0.00 0.00 47.33 45.99 3hkd h GLY 148 CO 0.08 1.07 -0.00 -2.75 0.00 0.00 0.00 176.54 174.94 3hkd h PHE 149 N -0.04 -0.01 -0.86 5.60 3.04 -0.53 -2.60 116.94 121.53 3hkd h PHE 149 Ca -0.18 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 61.93 3hkd h PHE 149 Cb 1.83 0.00 -0.16 0.00 2.56 0.00 0.00 35.95 40.18 3hkd h PHE 149 CO 0.15 0.81 -0.28 1.15 -2.02 0.00 0.00 178.31 178.13 3hkd h THR 150 N -0.88 0.10 0.21 4.41 2.02 -1.67 0.91 112.91 118.00 3hkd h THR 150 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3hkd h THR 150 Cb 0.83 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3hkd h THR 150 CO 0.00 0.00 -0.34 -1.28 0.37 0.00 0.00 175.52 174.27 3hkd h SER 151 N -0.03 -0.95 -0.97 4.18 0.87 -1.48 -1.27 113.55 113.89 3hkd h SER 151 Ca 0.37 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 61.07 3hkd h SER 151 Cb 0.62 0.35 -0.06 0.00 -0.44 0.00 0.00 62.40 62.87 3hkd h SER 151 CO -0.89 -0.44 0.64 0.25 -0.53 0.00 0.00 176.83 175.85 3hkd h LEU 152 N -0.62 1.07 0.09 2.23 5.85 -0.78 -2.64 115.31 120.51 3hkd h LEU 152 Ca 0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hkd h LEU 152 Cb 0.61 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3hkd h LEU 152 CO -0.14 0.74 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.25 3hkd h LEU 153 N 1.24 -1.14 -0.83 2.25 3.38 0.11 -2.70 115.31 117.62 3hkd h LEU 153 Ca 0.38 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.61 3hkd h LEU 153 Cb -0.02 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 3hkd h LEU 153 CO -0.12 -0.40 0.42 0.24 0.09 0.00 0.00 178.44 178.68 3hkd h MET 154 N -0.54 0.60 -0.88 1.13 2.86 -1.01 0.64 114.93 117.73 3hkd h MET 154 Ca -0.00 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 3hkd h MET 154 Cb 0.54 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 3hkd h MET 154 CO -0.21 0.40 0.53 0.93 1.06 0.00 0.00 176.91 179.62 3hkd h GLU 155 N 0.62 0.87 0.07 1.72 5.08 -1.41 0.20 114.58 121.73 3hkd h GLU 155 Ca 0.44 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 3hkd h GLU 155 Cb 0.60 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hkd h GLU 155 CO -0.35 0.58 -0.63 0.00 -1.00 0.00 0.00 179.01 177.61 3hkd h ARG 156 N 0.90 0.14 -0.97 2.33 2.47 -0.04 -3.09 114.38 116.12 3hkd h ARG 156 Ca 0.41 -0.25 0.14 0.00 -1.26 0.00 0.00 59.98 59.03 3hkd h ARG 156 Cb 0.33 0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 28.66 3hkd h ARG 156 CO -0.23 1.12 0.61 -0.07 0.56 0.00 0.00 179.97 181.96 3hkd h LEU 157 N -0.67 0.83 -1.26 3.04 3.38 0.13 0.19 115.31 120.94 3hkd h LEU 157 Ca -0.13 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.02 3hkd h LEU 157 Cb 1.38 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 3hkd h LEU 157 CO 0.04 0.41 0.57 -1.28 0.09 0.00 0.00 178.44 178.28 3hkd h SER 158 N 0.87 0.70 0.03 -0.43 0.87 -0.65 -1.33 113.55 113.61 3hkd h SER 158 Ca 0.50 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 61.03 3hkd h SER 158 Cb 0.63 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3hkd h SER 158 CO -0.27 0.37 -0.29 0.58 -0.53 0.00 0.00 176.83 176.69 3hkd h VAL 159 N 0.75 1.66 0.00 2.23 2.07 -0.64 -3.36 116.25 118.96 3hkd h VAL 159 Ca 0.44 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3hkd h VAL 159 Cb 0.62 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3hkd h VAL 159 CO -0.20 0.61 0.00 0.44 0.02 0.00 0.00 177.57 178.45 3hkd h ASP 160 N -0.86 0.00 -3.29 0.57 3.32 -0.89 -3.42 116.42 111.86 3hkd h ASP 160 Ca -0.06 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.45 3hkd h ASP 160 Cb 1.17 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.34 3hkd h ASP 160 CO 0.02 0.00 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.44 3hkd s TYR 161 N -3.69 1.51 0.00 4.55 1.51 -0.51 -5.08 117.35 115.64 3hkd s TYR 161 Ca 0.01 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 3hkd s TYR 161 Cb 0.09 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 3hkd s TYR 161 CO 0.51 -0.57 0.00 0.41 -1.11 0.00 0.00 175.55 174.79 3hkd n GLY 162 N 4.93 -1.80 0.40 0.71 0.00 -1.26 -4.58 105.19 103.58 3hkd n GLY 162 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3hkd n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkd h LYS 163 N 0.00 -0.93 0.00 1.61 1.57 -1.97 -3.47 116.57 113.38 3hkd h LYS 163 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hkd h LYS 163 Cb 0.00 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hkd h LYS 163 CO 0.00 -0.62 0.00 1.63 -0.57 0.00 0.00 179.45 179.89 3hkd n LYS 164 N -5.40 0.00 -1.63 3.15 4.76 -1.26 -4.83 118.16 112.95 3hkd n LYS 164 Ca -0.12 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.02 3hkd n LYS 164 Cb 0.38 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.65 3hkd n LYS 164 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hkd s SER 165 N 0.00 4.76 -0.07 4.39 1.04 -1.25 -4.85 113.70 117.72 3hkd s SER 165 Ca 0.00 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 3hkd s SER 165 Cb 0.00 -2.04 0.03 0.00 0.10 0.00 0.00 66.02 64.11 3hkd s SER 165 CO 0.00 -1.79 -0.01 -0.54 0.98 0.00 0.00 173.24 171.87 3hkd s LYS 166 N -5.20 0.76 -0.20 4.02 1.02 -1.26 -1.34 119.74 117.54 3hkd s LYS 166 Ca 0.60 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.58 3hkd s LYS 166 Cb -0.14 -1.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.12 3hkd s LYS 166 CO 0.54 -0.27 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.18 3hkd s LEU 167 N 1.81 3.23 0.05 3.17 1.02 -0.03 -1.61 118.68 126.31 3hkd s LEU 167 Ca 0.03 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 53.99 3hkd s LEU 167 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 3hkd s LEU 167 CO -0.05 0.06 0.05 -1.83 0.02 0.00 0.00 176.35 174.59 3hkd s GLU 168 N 1.05 2.81 -0.29 1.70 -1.05 -0.90 -1.12 118.70 120.90 3hkd s GLU 168 Ca 0.02 -0.68 0.03 0.00 -0.15 0.00 0.00 54.97 54.19 3hkd s GLU 168 Cb -0.14 -2.69 0.08 0.00 -0.44 0.00 0.00 34.13 30.93 3hkd s GLU 168 CO 0.01 0.58 -0.04 -0.06 0.95 0.00 0.00 175.26 176.71 3hkd s PHE 169 N -1.29 3.47 0.04 4.83 0.40 -0.74 -0.60 117.98 124.09 3hkd s PHE 169 Ca 0.26 -2.58 -0.09 0.00 -0.60 0.00 0.00 56.93 53.92 3hkd s PHE 169 Cb -0.12 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.02 3hkd s PHE 169 CO 0.18 -0.91 0.34 -1.12 0.70 0.00 0.00 175.22 174.41 3hkd s SER 170 N 1.04 6.58 -0.71 1.36 0.01 -0.34 -2.46 113.70 119.18 3hkd s SER 170 Ca -0.01 0.70 -0.09 0.00 1.31 0.00 0.00 55.95 57.85 3hkd s SER 170 Cb -0.20 -2.14 0.18 0.00 0.21 0.00 0.00 66.02 64.08 3hkd s SER 170 CO -0.06 0.22 0.59 -0.63 0.41 0.00 0.00 173.24 173.77 3hkd s ILE 171 N -1.34 4.73 0.18 1.44 1.09 -0.84 -0.72 121.20 125.73 3hkd s ILE 171 Ca 0.30 -2.57 -0.32 0.00 -1.10 0.00 0.00 60.65 56.96 3hkd s ILE 171 Cb -0.14 -3.99 -0.11 0.00 -1.06 0.00 0.00 42.46 37.16 3hkd s ILE 171 CO 0.17 -0.94 1.66 -0.47 -0.10 0.00 0.00 174.94 175.26 3hkd s TYR 172 N 0.23 2.90 0.05 3.97 6.14 -0.60 -1.96 117.35 128.08 3hkd s TYR 172 Ca 0.16 0.44 -0.15 0.00 0.64 0.00 0.00 57.07 58.16 3hkd s TYR 172 Cb -0.16 -4.05 -0.06 0.00 0.42 0.00 0.00 41.96 38.11 3hkd s TYR 172 CO -0.06 -3.96 0.46 -1.25 0.64 0.00 0.00 175.55 171.38 3hkd s PRO 173 N 1.33 3.96 -0.09 4.97 0.04 -1.26 -1.67 135.00 142.27 3hkd s PRO 173 Ca 0.73 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.22 3hkd s PRO 173 Cb -0.47 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 30.95 3hkd s PRO 173 CO 0.32 0.63 -0.04 0.00 0.04 0.00 0.00 177.00 177.95 3hkd s ALA 174 N -1.19 1.01 0.18 8.56 0.00 -1.26 -4.89 121.76 124.18 3hkd s ALA 174 Ca 0.28 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3hkd s ALA 174 Cb -0.17 -0.80 0.44 0.00 0.00 0.00 0.00 23.12 22.59 3hkd s ALA 174 CO 0.16 -0.40 0.94 -2.30 0.00 0.00 0.00 175.76 174.16 3hkd n PRO 175 N 4.95 -0.05 0.29 0.00 -0.01 -1.26 -2.03 135.00 136.88 3hkd n PRO 175 Ca -0.11 0.90 -0.15 0.00 -0.01 0.00 0.00 63.50 64.13 3hkd n PRO 175 Cb 0.50 -1.42 -0.08 0.00 -0.01 0.00 0.00 33.50 32.49 3hkd n PRO 175 CO 0.00 0.00 0.00 -0.56 -0.01 0.00 0.00 175.50 174.93 3hkd h GLN 176 N 0.00 -0.71 -2.63 -0.52 -0.00 -2.01 -3.22 115.11 106.02 3hkd h GLN 176 Ca 0.35 0.05 -0.73 0.00 -0.00 0.00 0.00 58.65 58.33 3hkd h GLN 176 Cb 0.71 0.16 -0.34 0.00 -0.00 0.00 0.00 27.48 28.02 3hkd h GLN 176 CO -0.57 -0.41 0.24 1.55 -0.00 0.00 0.00 178.83 179.65 3hkd n VAL 177 N -5.32 4.17 -2.89 1.86 3.14 -0.86 -4.92 118.33 113.50 3hkd n VAL 177 Ca -0.11 -5.66 0.00 0.00 -2.96 0.00 0.00 64.34 55.60 3hkd n VAL 177 Cb 0.33 -2.08 0.00 0.00 -1.06 0.00 0.00 33.84 31.03 3hkd n VAL 177 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3hkd n SER 178 N 1.12 1.31 0.00 6.55 2.88 -1.17 -4.72 113.62 119.58 3hkd n SER 178 Ca 0.28 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 3hkd n SER 178 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3hkd n SER 178 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3hkd n THR 179 N 0.00 0.00 -2.96 2.46 5.66 -1.26 -5.07 114.28 113.10 3hkd n THR 179 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 3hkd n THR 179 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3hkd n THR 179 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hkd s ALA 180 N -1.00 3.40 0.04 1.79 0.00 -1.26 -4.99 121.76 119.74 3hkd s ALA 180 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 3hkd s ALA 180 Cb 0.00 -3.09 -0.21 0.00 0.00 0.00 0.00 23.12 19.82 3hkd s ALA 180 CO 0.00 -0.36 1.18 0.28 0.00 0.00 0.00 175.76 176.86 3hkd h VAL 181 N 4.96 1.37 0.00 0.00 2.07 -2.00 -3.31 116.25 119.35 3hkd h VAL 181 Ca -0.36 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3hkd h VAL 181 Cb 1.17 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3hkd h VAL 181 CO 0.79 0.59 0.00 0.55 0.02 0.00 0.00 177.57 179.52 3hkd n VAL 182 N -4.16 0.79 -0.11 2.57 3.14 -1.26 -4.27 118.33 115.04 3hkd n VAL 182 Ca -0.09 0.20 -0.03 0.00 -2.96 0.00 0.00 64.34 61.46 3hkd n VAL 182 Cb 0.67 -1.06 -0.03 0.00 -1.06 0.00 0.00 33.84 32.37 3hkd n VAL 182 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3hkd n GLU 183 N -1.28 -0.11 -0.35 1.45 4.07 -1.25 -2.54 120.64 120.64 3hkd n GLU 183 Ca 0.04 0.86 -0.06 0.00 -0.06 0.00 0.00 57.16 57.93 3hkd n GLU 183 Cb 0.07 -1.27 -0.03 0.00 -0.06 0.00 0.00 31.44 30.14 3hkd n GLU 183 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3hkd h PRO 184 N 0.00 -0.06 -0.91 5.31 0.11 -1.91 0.28 132.00 134.82 3hkd h PRO 184 Ca 0.04 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.28 3hkd h PRO 184 Cb 0.10 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.09 3hkd h PRO 184 CO -0.24 -0.04 -0.46 1.88 -0.21 0.00 0.00 178.00 178.93 3hkd h TYR 185 N -0.06 -1.37 -0.79 0.65 0.99 -1.84 -1.40 116.97 113.15 3hkd h TYR 185 Ca 0.24 0.11 0.04 0.00 2.00 0.00 0.00 58.73 61.12 3hkd h TYR 185 Cb 0.53 0.73 -0.05 0.00 1.00 0.00 0.00 36.73 38.94 3hkd h TYR 185 CO -0.88 -0.40 0.52 -0.91 -0.00 0.00 0.00 178.16 176.49 3hkd h ASN 186 N -0.05 0.81 0.17 3.88 2.35 -1.00 0.22 115.58 121.97 3hkd h ASN 186 Ca 0.26 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3hkd h ASN 186 Cb 0.53 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3hkd h ASN 186 CO -0.91 0.55 -0.08 0.28 -1.65 0.00 0.00 177.43 175.62 3hkd h SER 187 N 0.94 -0.20 0.85 5.81 0.02 -0.99 -2.01 113.55 117.96 3hkd h SER 187 Ca 0.32 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3hkd h SER 187 Cb 0.10 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3hkd h SER 187 CO -0.10 0.10 -0.08 0.40 -1.14 0.00 0.00 176.83 176.01 3hkd h ILE 188 N -0.50 0.24 0.15 3.27 1.08 -0.97 0.85 117.51 121.62 3hkd h ILE 188 Ca -0.02 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3hkd h ILE 188 Cb 0.39 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 3hkd h ILE 188 CO 0.04 0.08 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.44 3hkd h LEU 189 N 0.00 -0.17 0.31 1.44 3.38 -0.91 -3.28 115.31 116.08 3hkd h LEU 189 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hkd h LEU 189 Cb 0.53 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3hkd h LEU 189 CO 0.01 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.19 3hkd h THR 190 N -0.44 0.00 -0.63 0.22 1.03 -1.09 -2.06 112.91 109.94 3hkd h THR 190 Ca -0.02 0.00 0.18 0.00 -0.01 0.00 0.00 66.41 66.56 3hkd h THR 190 Cb 0.15 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 67.20 3hkd h THR 190 CO 0.03 0.00 1.01 1.07 -0.01 0.00 0.00 175.52 177.62 3hkd n THR 191 N -4.54 0.00 -0.06 0.00 5.66 0.27 0.48 114.28 116.09 3hkd n THR 191 Ca -0.08 1.03 -0.04 0.00 -3.05 0.00 0.00 64.05 61.91 3hkd n THR 191 Cb 0.32 -1.90 -0.02 0.00 -1.55 0.00 0.00 70.33 67.17 3hkd n THR 191 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 3hkd h HIS 192 N 0.00 0.00 -0.18 1.09 6.17 -1.44 -3.10 115.15 117.69 3hkd h HIS 192 Ca 0.30 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.36 3hkd h HIS 192 Cb 2.32 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 32.24 3hkd h HIS 192 CO 0.00 0.18 0.02 1.15 0.71 0.00 0.00 177.93 179.99 3hkd h THR 193 N -1.00 1.11 0.05 6.26 2.02 -0.38 -3.22 112.91 117.74 3hkd h THR 193 Ca -0.02 -0.39 -0.23 0.00 0.77 0.00 0.00 66.41 66.53 3hkd h THR 193 Cb 0.32 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3hkd h THR 193 CO -0.01 0.13 -1.03 0.00 0.37 0.00 0.00 175.52 174.98 3hkd h THR 194 N 0.25 1.48 0.00 3.16 1.03 -0.12 -3.37 112.91 115.34 3hkd h THR 194 Ca 0.06 -2.76 -0.06 0.00 -0.01 0.00 0.00 66.41 63.65 3hkd h THR 194 Cb 0.14 2.63 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 3hkd h THR 194 CO 0.00 0.81 -0.27 0.17 -0.01 0.00 0.00 175.52 176.21 3hkd h LEU 195 N 0.13 0.00 -0.86 0.00 -0.00 -1.55 -2.18 115.31 110.85 3hkd h LEU 195 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 3hkd h LEU 195 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.36 3hkd h LEU 195 CO 0.17 0.27 0.00 -1.84 -0.00 0.00 0.00 178.44 177.04 3hkd n GLU 196 N -3.39 1.59 -0.06 0.17 0.28 -1.26 -3.58 120.64 114.39 3hkd n GLU 196 Ca 0.00 -0.86 0.04 0.00 -0.16 0.00 0.00 57.16 56.19 3hkd n GLU 196 Cb 0.48 -1.47 0.07 0.00 1.43 0.00 0.00 31.44 31.95 3hkd n GLU 196 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hkd n HIS 197 N 0.05 0.16 -4.22 -1.84 8.25 -0.83 -5.02 115.22 111.77 3hkd n HIS 197 Ca 0.19 -0.21 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 3hkd n HIS 197 Cb 0.32 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.35 3hkd n HIS 197 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkd s SER 198 N -0.85 4.55 -0.05 0.41 0.15 -1.16 -4.80 113.70 111.94 3hkd s SER 198 Ca 0.14 -0.76 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 3hkd s SER 198 Cb 0.08 -0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 63.62 3hkd s SER 198 CO 0.12 -0.17 -0.08 0.47 1.20 0.00 0.00 173.24 174.78 3hkd n ASP 199 N -1.02 0.56 -3.77 5.45 9.92 -0.64 -4.96 116.55 122.09 3hkd n ASP 199 Ca -0.05 0.09 -0.13 0.00 -0.53 0.00 0.00 54.79 54.18 3hkd n ASP 199 Cb 0.61 -0.22 -0.11 0.00 -0.64 0.00 0.00 41.12 40.76 3hkd n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hkd s ALA 201 N -0.06 0.36 -0.46 0.00 0.00 -1.24 -2.12 121.76 118.24 3hkd s ALA 201 Ca -0.02 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 3hkd s ALA 201 Cb -0.03 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.05 3hkd s ALA 201 CO 0.01 -1.20 0.94 -0.06 0.00 0.00 0.00 175.76 175.45 3hkd s PHE 202 N 2.16 2.92 0.37 0.00 2.99 0.23 -3.96 117.98 122.68 3hkd s PHE 202 Ca 0.03 0.43 -0.22 0.00 0.00 0.00 0.00 56.93 57.17 3hkd s PHE 202 Cb -0.16 -3.99 -0.10 0.00 0.00 0.00 0.00 43.02 38.77 3hkd s PHE 202 CO -0.11 -1.10 0.91 -1.64 -0.00 0.00 0.00 175.22 173.28 3hkd s MET 203 N 3.79 4.33 -0.25 0.44 -1.94 -1.26 -1.20 119.30 123.22 3hkd s MET 203 Ca 0.38 1.13 -0.01 0.00 -1.71 0.00 0.00 55.69 55.47 3hkd s MET 203 Cb -0.10 -2.47 0.08 0.00 2.01 0.00 0.00 34.83 34.34 3hkd s MET 203 CO 0.26 0.13 0.05 0.08 -0.01 0.00 0.00 175.02 175.53 3hkd s VAL 204 N -1.92 0.83 -0.63 -6.03 1.01 0.10 -4.80 120.40 108.97 3hkd s VAL 204 Ca 0.56 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 3hkd s VAL 204 Cb -0.13 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.86 3hkd s VAL 204 CO 0.18 -0.38 1.29 -0.62 0.00 0.00 0.00 175.10 175.57 3hkd s ASP 205 N 1.68 6.26 0.32 3.32 -1.08 -0.65 -1.56 116.67 124.96 3hkd s ASP 205 Ca 0.02 -0.03 0.07 0.00 -0.52 0.00 0.00 52.55 52.10 3hkd s ASP 205 Cb -0.17 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.64 3hkd s ASP 205 CO -0.15 -1.67 1.61 0.78 0.52 0.00 0.00 175.17 176.26 3hkd h ASN 206 N 10.16 -0.05 -0.86 -0.34 -0.26 -1.65 0.28 115.58 122.87 3hkd h ASN 206 Ca -0.26 0.24 0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3hkd h ASN 206 Cb 1.06 0.33 -0.04 0.00 -1.06 0.00 0.00 38.32 38.62 3hkd h ASN 206 CO 1.22 -0.29 0.57 -0.08 -1.06 0.00 0.00 177.43 177.79 3hkd h GLU 207 N 0.10 1.13 0.00 0.81 4.81 -1.90 0.11 114.58 119.64 3hkd h GLU 207 Ca 0.65 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.76 3hkd h GLU 207 Cb 1.47 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3hkd h GLU 207 CO -0.77 0.75 -0.28 0.00 -0.73 0.00 0.00 179.01 177.97 3hkd h ALA 208 N 1.32 1.38 0.17 2.92 0.00 -0.78 -0.23 119.26 124.04 3hkd h ALA 208 Ca 0.32 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 3hkd h ALA 208 Cb -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hkd h ALA 208 CO -0.07 0.35 -1.38 0.82 0.00 0.00 0.00 179.25 178.97 3hkd h ILE 209 N 0.00 1.17 -0.36 0.00 1.08 -0.89 -1.83 117.51 116.69 3hkd h ILE 209 Ca -0.00 -2.53 0.10 0.00 -0.39 0.00 0.00 64.86 62.04 3hkd h ILE 209 Cb 0.55 2.92 -0.01 0.00 -3.07 0.00 0.00 36.82 37.21 3hkd h ILE 209 CO 0.04 0.77 0.26 0.22 -0.69 0.00 0.00 178.15 178.75 3hkd h TYR 210 N -0.11 0.00 -0.00 1.37 5.03 -0.69 -2.43 116.97 120.14 3hkd h TYR 210 Ca -0.27 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.04 3hkd h TYR 210 Cb 1.92 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.20 3hkd h TYR 210 CO 0.14 0.00 -0.01 -0.44 -1.32 0.00 0.00 178.16 176.52 3hkd h ASP 211 N 0.00 0.02 -0.68 -2.11 3.45 -0.85 -2.93 116.42 113.32 3hkd h ASP 211 Ca 0.17 -0.66 0.12 0.00 0.43 0.00 0.00 57.03 57.09 3hkd h ASP 211 Cb 0.69 -0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 39.37 3hkd h ASP 211 CO -0.00 0.68 0.24 0.40 -1.57 0.00 0.00 179.24 178.99 3hkd h ILE 212 N -0.64 0.69 -0.19 0.35 2.04 -0.85 -1.91 117.51 116.99 3hkd h ILE 212 Ca -0.00 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3hkd h ILE 212 Cb 0.68 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3hkd h ILE 212 CO 0.00 0.07 -0.32 0.00 0.00 0.00 0.00 178.15 177.91 3hkd h ARG 214 N 0.34 0.00 0.01 0.00 3.08 -1.17 -2.40 114.38 114.24 3hkd h ARG 214 Ca 0.04 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.68 3hkd h ARG 214 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 3hkd h ARG 214 CO 0.06 0.56 -2.39 -2.13 -1.07 0.00 0.00 179.97 175.00 3hkd n ARG 215 N -3.52 0.62 0.02 0.04 0.63 -0.87 -4.34 116.66 109.24 3hkd n ARG 215 Ca -0.00 0.25 0.11 0.00 -0.92 0.00 0.00 57.85 57.29 3hkd n ARG 215 Cb 0.64 -1.54 -0.05 0.00 0.45 0.00 0.00 32.46 31.96 3hkd n ARG 215 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hkd n ASN 216 N -3.86 0.51 -0.04 6.15 3.02 0.35 -4.30 115.26 117.10 3hkd n ASN 216 Ca -0.48 -0.18 0.01 0.00 -0.03 0.00 0.00 54.58 53.90 3hkd n ASN 216 Cb 0.92 1.12 -0.01 0.00 -0.61 0.00 0.00 39.78 41.20 3hkd n ASN 216 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hkd n LEU 217 N -2.08 0.45 -0.62 3.41 4.32 -0.94 -4.27 117.00 117.27 3hkd n LEU 217 Ca 0.00 -0.64 -0.08 0.00 -0.02 0.00 0.00 56.01 55.27 3hkd n LEU 217 Cb 0.48 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.24 3hkd n LEU 217 CO 0.42 0.10 -0.08 -0.67 -1.22 0.00 0.00 177.39 175.95 3hkd n ASP 218 N -0.72 -4.56 -4.69 -1.43 -0.08 -0.97 -4.96 116.55 99.14 3hkd n ASP 218 Ca 0.01 0.20 -0.42 0.00 -1.51 0.00 0.00 54.79 53.07 3hkd n ASP 218 Cb 0.05 -2.77 -0.03 0.00 2.34 0.00 0.00 41.12 40.72 3hkd n ASP 218 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3hkd s ILE 219 N -2.11 4.52 0.00 5.18 -1.09 -1.03 -5.00 121.20 121.67 3hkd s ILE 219 Ca 0.00 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 3hkd s ILE 219 Cb 0.00 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 3hkd s ILE 219 CO 0.00 0.03 0.54 -0.62 -1.23 0.00 0.00 174.94 173.66 3hkd n GLU 220 N 4.85 0.00 -3.94 2.79 -0.58 -1.26 -4.35 120.64 118.16 3hkd n GLU 220 Ca 0.09 0.08 -0.30 0.00 -0.42 0.00 0.00 57.16 56.61 3hkd n GLU 220 Cb 0.48 -1.05 -0.14 0.00 -0.57 0.00 0.00 31.44 30.16 3hkd n GLU 220 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3hkd s ARG 221 N -1.24 1.67 0.41 3.49 0.52 -1.26 -4.92 118.95 117.62 3hkd s ARG 221 Ca 0.00 -2.23 -0.26 0.00 -0.52 0.00 0.00 55.73 52.73 3hkd s ARG 221 Cb 0.00 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.28 3hkd s ARG 221 CO 0.00 -1.05 1.29 -1.25 0.02 0.00 0.00 175.30 174.31 3hkd s PRO 222 N 0.28 3.95 1.04 3.54 0.04 -1.26 -5.02 135.00 137.56 3hkd s PRO 222 Ca 0.15 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 3hkd s PRO 222 Cb -0.23 -2.73 0.22 0.00 0.04 0.00 0.00 34.50 31.81 3hkd s PRO 222 CO -0.04 -0.50 1.22 0.99 0.04 0.00 0.00 177.00 178.72 3hkd s THR 223 N -1.28 1.85 0.03 1.26 2.01 -1.26 -4.89 115.64 113.37 3hkd s THR 223 Ca 0.57 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 3hkd s THR 223 Cb -0.37 -2.79 -0.15 0.00 0.01 0.00 0.00 72.50 69.20 3hkd s THR 223 CO 0.47 0.00 1.33 1.88 -0.69 0.00 0.00 174.62 177.62 3hkd h TYR 224 N -1.95 0.41 0.00 4.92 0.99 -1.98 -2.33 116.97 117.02 3hkd h TYR 224 Ca -0.45 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.15 3hkd h TYR 224 Cb 1.27 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 38.91 3hkd h TYR 224 CO -1.33 0.75 0.00 0.25 -0.00 0.00 0.00 178.16 177.83 3hkd n THR 225 N -4.56 0.75 -0.03 -2.88 -2.24 -1.26 0.32 114.28 104.38 3hkd n THR 225 Ca -0.06 0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 3hkd n THR 225 Cb 0.37 -0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 67.58 3hkd n THR 225 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hkd h ASN 226 N 0.00 -0.00 -0.12 3.42 -0.26 -1.88 -3.23 115.58 113.51 3hkd h ASN 226 Ca 0.00 -0.62 -0.07 0.00 -0.56 0.00 0.00 56.30 55.05 3hkd h ASN 226 Cb 0.36 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 3hkd h ASN 226 CO 0.00 0.62 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.80 3hkd h LEU 227 N -0.63 0.45 -0.17 1.61 4.07 -0.47 -3.24 115.31 116.93 3hkd h LEU 227 Ca -0.00 -0.11 -0.22 0.00 0.08 0.00 0.00 57.88 57.62 3hkd h LEU 227 Cb 0.62 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.24 3hkd h LEU 227 CO 0.00 0.60 -0.95 0.78 -1.08 0.00 0.00 178.44 177.80 3hkd h ASN 228 N 0.43 0.50 -0.86 -0.43 2.35 -0.25 -2.48 115.58 114.85 3hkd h ASN 228 Ca 0.08 -0.41 0.17 0.00 -0.55 0.00 0.00 56.30 55.59 3hkd h ASN 228 Cb 0.47 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3hkd h ASN 228 CO 0.03 1.21 0.56 0.03 -1.65 0.00 0.00 177.43 177.61 3hkd h ARG 229 N 0.21 0.49 -0.05 0.81 3.08 -1.58 0.31 114.38 117.66 3hkd h ARG 229 Ca -0.08 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 3hkd h ARG 229 Cb 1.58 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.53 3hkd h ARG 229 CO 0.16 0.33 -0.34 1.25 -1.07 0.00 0.00 179.97 180.30 3hkd h LEU 230 N 0.51 0.38 -0.63 3.04 7.12 -1.59 -2.65 115.31 121.48 3hkd h LEU 230 Ca 0.44 -0.68 -0.13 0.00 0.13 0.00 0.00 57.88 57.64 3hkd h LEU 230 Cb 0.93 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.94 3hkd h LEU 230 CO -0.18 1.00 -0.30 0.40 -0.13 0.00 0.00 178.44 179.24 3hkd h ILE 231 N -0.21 1.28 -1.00 4.05 2.04 -0.96 -2.75 117.51 119.96 3hkd h ILE 231 Ca -0.03 -1.44 0.15 0.00 1.00 0.00 0.00 64.86 64.54 3hkd h ILE 231 Cb 1.01 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 38.33 3hkd h ILE 231 CO 0.07 0.47 0.62 1.23 0.00 0.00 0.00 178.15 180.54 3hkd h GLY 232 N 0.95 1.70 1.51 5.37 0.00 -0.40 0.11 103.07 112.31 3hkd h GLY 232 Ca 0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3hkd h GLY 232 CO 0.07 0.07 -0.32 -1.61 0.00 0.00 0.00 176.54 174.74 3hkd h GLN 233 N 0.90 0.56 0.01 4.80 5.75 -1.19 -2.44 115.11 123.50 3hkd h GLN 233 Ca 0.53 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.78 3hkd h GLN 233 Cb 0.65 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.19 3hkd h GLN 233 CO -0.31 0.81 -0.01 0.82 -2.65 0.00 0.00 178.83 177.49 3hkd h ILE 234 N 0.48 1.45 -0.12 2.39 2.04 -0.76 -2.62 117.51 120.36 3hkd h ILE 234 Ca 0.06 -1.98 0.04 0.00 1.00 0.00 0.00 64.86 63.98 3hkd h ILE 234 Cb 0.80 2.70 -0.05 0.00 -0.74 0.00 0.00 36.82 39.52 3hkd h ILE 234 CO 0.06 0.47 -0.21 0.58 0.00 0.00 0.00 178.15 179.06 3hkd h VAL 235 N -0.95 0.47 0.00 1.67 2.07 -0.99 0.92 116.25 119.44 3hkd h VAL 235 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hkd h VAL 235 Cb 0.79 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3hkd h VAL 235 CO 0.00 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.35 3hkd n SER 236 N -5.35 0.00 0.03 0.57 2.88 -0.92 0.46 113.62 111.30 3hkd n SER 236 Ca -0.03 0.50 0.10 0.00 -1.33 0.00 0.00 58.87 58.11 3hkd n SER 236 Cb 0.26 -0.50 -0.10 0.00 -0.75 0.00 0.00 64.21 63.12 3hkd n SER 236 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3hkd n SER 237 N -1.50 0.37 -0.07 -3.46 2.88 0.18 -2.99 113.62 109.03 3hkd n SER 237 Ca 0.00 0.15 -0.14 0.00 -1.33 0.00 0.00 58.87 57.55 3hkd n SER 237 Cb 0.01 1.27 -0.13 0.00 -0.75 0.00 0.00 64.21 64.61 3hkd n SER 237 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3hkd h ILE 238 N 0.00 1.79 0.00 2.46 2.04 0.14 -3.35 117.51 120.59 3hkd h ILE 238 Ca -0.03 -2.35 -0.06 0.00 1.00 0.00 0.00 64.86 63.42 3hkd h ILE 238 Cb 1.09 3.39 -0.01 0.00 -0.74 0.00 0.00 36.82 40.54 3hkd h ILE 238 CO 0.00 0.61 -0.29 0.71 0.00 0.00 0.00 178.15 179.19 3hkd h THR 239 N -0.99 0.70 -0.47 -0.27 1.35 -0.97 -3.31 112.91 108.95 3hkd h THR 239 Ca -0.00 -1.27 0.09 0.00 -0.55 0.00 0.00 66.41 64.68 3hkd h THR 239 Cb 1.01 1.82 -0.09 0.00 -1.73 0.00 0.00 68.15 69.16 3hkd h THR 239 CO 0.00 0.28 -0.13 0.00 -0.25 0.00 0.00 175.52 175.42 3hkd n ALA 240 N -2.26 0.07 -0.30 6.62 0.00 -1.16 -0.38 120.51 123.10 3hkd n ALA 240 Ca -0.00 0.51 0.12 0.00 0.00 0.00 0.00 53.44 54.07 3hkd n ALA 240 Cb 0.46 -0.29 0.29 0.00 0.00 0.00 0.00 19.45 19.91 3hkd n ALA 240 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hkd h SER 241 N 0.00 0.20 -0.50 0.00 0.02 -1.81 -1.42 113.55 110.04 3hkd h SER 241 Ca 0.21 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3hkd h SER 241 Cb 0.33 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hkd h SER 241 CO -0.48 -0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.15 3hkd n LEU 242 N -5.11 3.02 -0.07 5.07 -0.00 0.48 -3.10 117.00 117.30 3hkd n LEU 242 Ca 0.21 -1.45 -0.08 0.00 -0.00 0.00 0.00 56.01 54.69 3hkd n LEU 242 Cb 0.65 -0.33 -0.07 0.00 -0.00 0.00 0.00 43.42 43.66 3hkd n LEU 242 CO 0.11 0.72 -0.94 0.54 -0.00 0.00 0.00 177.39 177.82 3hkd n ARG 243 N 1.16 0.99 0.05 1.47 1.74 -0.54 -4.56 116.66 116.97 3hkd n ARG 243 Ca 0.19 0.05 0.07 0.00 -0.77 0.00 0.00 57.85 57.39 3hkd n ARG 243 Cb 0.50 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 3hkd n ARG 243 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hkd n PHE 244 N -2.75 0.68 -2.52 -1.55 3.01 -1.19 -3.04 117.46 110.11 3hkd n PHE 244 Ca -0.23 0.21 -0.00 0.00 1.01 0.00 0.00 57.45 58.44 3hkd n PHE 244 Cb 0.81 -0.89 -0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3hkd n PHE 244 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hkd n ASP 245 N -2.64 -6.65 -3.85 4.37 2.03 -1.18 -4.92 116.55 103.71 3hkd n ASP 245 Ca -0.06 1.21 -0.18 0.00 0.52 0.00 0.00 54.79 56.29 3hkd n ASP 245 Cb 0.67 -4.67 -0.16 0.00 -0.72 0.00 0.00 41.12 36.24 3hkd n ASP 245 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hkd s GLY 246 N -1.32 0.32 0.29 0.27 0.00 -1.19 -5.08 107.32 100.61 3hkd s GLY 246 Ca -0.02 0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.62 3hkd s GLY 246 CO 0.67 0.50 0.06 0.00 0.00 0.00 0.00 173.10 174.33 3hkd n ALA 247 N 4.05 -2.53 -0.89 3.20 0.00 -1.26 -4.63 120.51 118.44 3hkd n ALA 247 Ca -0.26 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hkd n ALA 247 Cb 0.51 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3hkd n ALA 247 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hkd n LEU 248 N 1.68 -3.03 -2.85 0.00 -0.00 -1.26 -4.71 117.00 106.83 3hkd n LEU 248 Ca 0.08 0.82 -0.21 0.00 -0.00 0.00 0.00 56.01 56.70 3hkd n LEU 248 Cb 0.29 -1.54 0.03 0.00 -0.00 0.00 0.00 43.42 42.20 3hkd n LEU 248 CO 0.39 -0.44 -0.00 0.59 -0.00 0.00 0.00 177.39 177.93 3hkd n ASN 249 N 0.48 -5.91 0.31 1.96 5.03 -1.26 -4.84 115.26 111.02 3hkd n ASN 249 Ca 0.00 -0.27 0.20 0.00 0.87 0.00 0.00 54.58 55.38 3hkd n ASN 249 Cb 0.00 -4.74 1.08 0.00 -1.02 0.00 0.00 39.78 35.11 3hkd n ASN 249 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3hkd h VAL 250 N -1.31 0.00 -2.32 2.41 2.07 -1.82 -3.33 116.25 111.94 3hkd h VAL 250 Ca -0.50 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3hkd h VAL 250 Cb 1.35 0.88 -0.18 0.00 -1.52 0.00 0.00 31.29 31.81 3hkd h VAL 250 CO 0.54 0.00 0.11 1.51 0.02 0.00 0.00 177.57 179.75 3hkd s ASP 251 N -4.89 -0.56 0.52 0.57 1.47 -1.26 -4.73 116.67 107.79 3hkd s ASP 251 Ca -0.04 0.50 0.23 0.00 1.18 0.00 0.00 52.55 54.42 3hkd s ASP 251 Cb 0.11 0.51 1.43 0.00 -0.34 0.00 0.00 42.92 44.63 3hkd s ASP 251 CO 0.36 -0.63 2.12 -0.07 0.68 0.00 0.00 175.17 177.62 3hkd h LEU 252 N 3.00 0.00 -0.64 2.11 3.38 -1.98 -1.69 115.31 119.50 3hkd h LEU 252 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3hkd h LEU 252 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3hkd h LEU 252 CO 0.39 0.08 0.36 0.74 0.09 0.00 0.00 178.44 180.11 3hkd h THR 253 N 0.00 1.20 -0.46 0.22 2.02 -1.97 -2.14 112.91 111.77 3hkd h THR 253 Ca -0.00 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 66.79 3hkd h THR 253 Cb 0.19 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3hkd h THR 253 CO 0.01 0.21 0.32 -0.08 0.37 0.00 0.00 175.52 176.35 3hkd h GLU 254 N 0.86 0.23 -0.83 6.66 4.81 -1.70 -2.39 114.58 122.22 3hkd h GLU 254 Ca 0.23 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 3hkd h GLU 254 Cb 0.02 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.27 3hkd h GLU 254 CO -0.04 0.15 0.47 0.74 -0.73 0.00 0.00 179.01 179.60 3hkd h PHE 255 N 0.24 0.85 0.15 0.92 0.04 -1.42 -1.24 116.94 116.49 3hkd h PHE 255 Ca 0.21 0.03 -0.30 0.00 2.80 0.00 0.00 57.97 60.71 3hkd h PHE 255 Cb 0.53 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.43 3hkd h PHE 255 CO -0.00 0.33 -1.42 0.37 -0.60 0.00 0.00 178.31 176.99 3hkd h GLN 256 N 0.78 0.32 -0.41 1.51 4.15 -1.53 -3.18 115.11 116.75 3hkd h GLN 256 Ca 0.41 -0.55 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 3hkd h GLN 256 Cb 0.40 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 3hkd h GLN 256 CO -0.26 1.23 0.21 1.15 -1.93 0.00 0.00 178.83 179.24 3hkd h THR 257 N 0.09 1.14 0.13 2.39 2.02 -0.83 0.20 112.91 118.03 3hkd h THR 257 Ca -0.21 -0.36 -0.31 0.00 0.77 0.00 0.00 66.41 66.30 3hkd h THR 257 Cb 2.03 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3hkd h THR 257 CO 0.20 0.15 -1.56 0.78 0.37 0.00 0.00 175.52 175.47 3hkd h ASN 258 N 0.57 0.42 0.02 4.18 -0.26 -1.42 -3.42 115.58 115.67 3hkd h ASN 258 Ca 0.15 -0.58 -0.37 0.00 -0.56 0.00 0.00 56.30 54.93 3hkd h ASN 258 Cb 0.04 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.09 3hkd h ASN 258 CO -0.02 1.49 -2.39 0.18 -1.06 0.00 0.00 177.43 175.62 3hkd n LEU 259 N -3.47 1.15 -4.23 1.61 4.77 -0.40 -4.79 117.00 111.64 3hkd n LEU 259 Ca -0.17 -0.03 -0.38 0.00 -0.03 0.00 0.00 56.01 55.40 3hkd n LEU 259 Cb 1.05 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.97 3hkd n LEU 259 CO 0.51 0.66 -0.23 0.68 -1.33 0.00 0.00 177.39 177.68 3hkd s VAL 260 N -2.51 3.68 0.13 4.08 -7.23 0.56 -4.76 120.40 114.35 3hkd s VAL 260 Ca -0.19 -1.37 0.09 0.00 -1.81 0.00 0.00 61.98 58.70 3hkd s VAL 260 Cb 0.07 -3.19 -0.12 0.00 0.56 0.00 0.00 36.38 33.70 3hkd s VAL 260 CO 0.75 -0.31 1.39 -0.65 -0.31 0.00 0.00 175.10 175.96 3hkd h PRO 261 N 8.20 0.00 -5.96 4.82 0.11 -1.82 -3.44 132.00 133.91 3hkd h PRO 261 Ca -0.21 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.32 3hkd h PRO 261 Cb 1.07 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.90 3hkd h PRO 261 CO 0.64 0.83 -0.84 0.71 -0.21 0.00 0.00 178.00 179.13 3hkd s TYR 262 N -2.98 1.77 0.25 0.65 1.51 -1.26 -5.04 117.35 112.25 3hkd s TYR 262 Ca 0.01 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 3hkd s TYR 262 Cb 0.10 -1.11 0.48 0.00 -0.11 0.00 0.00 41.96 41.32 3hkd s TYR 262 CO 0.79 0.01 1.63 -1.35 -1.11 0.00 0.00 175.55 175.52 3hkd h PRO 263 N 5.38 0.10 0.00 -1.71 0.11 -1.98 -3.17 132.00 130.72 3hkd h PRO 263 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hkd h PRO 263 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hkd h PRO 263 CO 0.47 0.06 0.00 0.54 -0.21 0.00 0.00 178.00 178.86 3hkd n ARG 264 N -5.36 0.00 -1.17 1.05 1.74 -1.26 -4.56 116.66 107.10 3hkd n ARG 264 Ca 0.15 0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 57.58 3hkd n ARG 264 Cb 0.51 -1.12 -0.15 0.00 -1.02 0.00 0.00 32.46 30.69 3hkd n ARG 264 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3hkd n ILE 265 N -1.97 0.00 -0.04 0.55 -0.00 -1.20 -4.63 119.36 112.07 3hkd n ILE 265 Ca 0.00 -0.42 -0.06 0.00 -0.00 0.00 0.00 62.75 62.26 3hkd n ILE 265 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.64 39.50 3hkd n ILE 265 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 3hkd n HIS 266 N 4.46 0.53 -2.77 1.39 8.25 -1.26 -4.49 115.22 121.33 3hkd n HIS 266 Ca 0.43 0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.66 3hkd n HIS 266 Cb 0.19 -1.05 -0.04 0.00 1.12 0.00 0.00 29.99 30.22 3hkd n HIS 266 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hkd s PHE 267 N -2.68 2.58 0.48 4.41 0.40 -1.26 -3.63 117.98 118.29 3hkd s PHE 267 Ca -0.07 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 3hkd s PHE 267 Cb 0.08 -4.36 -0.03 0.00 0.51 0.00 0.00 43.02 39.22 3hkd s PHE 267 CO 0.83 -1.72 0.77 -1.25 0.70 0.00 0.00 175.22 174.55 3hkd s PRO 268 N 4.50 3.45 -0.18 0.24 0.05 -1.25 -4.65 135.00 137.16 3hkd s PRO 268 Ca 0.27 0.10 -0.04 0.00 0.05 0.00 0.00 61.00 61.38 3hkd s PRO 268 Cb -0.14 -2.40 -0.02 0.00 0.05 0.00 0.00 34.50 31.99 3hkd s PRO 268 CO 0.13 -0.23 -0.03 -1.17 0.05 0.00 0.00 177.00 175.75 3hkd s LEU 269 N -4.72 3.18 0.23 -3.56 1.98 0.42 -4.35 118.68 111.86 3hkd s LEU 269 Ca 0.47 -0.20 0.04 0.00 -2.89 0.00 0.00 54.13 51.56 3hkd s LEU 269 Cb -0.10 -1.78 -0.03 0.00 0.66 0.00 0.00 46.19 44.93 3hkd s LEU 269 CO 0.44 0.11 0.35 0.00 -1.89 0.00 0.00 176.35 175.36 3hkd s ALA 270 N 0.72 3.93 -0.23 5.97 0.00 -1.26 -0.90 121.76 129.98 3hkd s ALA 270 Ca -0.01 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 3hkd s ALA 270 Cb -0.14 -1.75 0.12 0.00 0.00 0.00 0.00 23.12 21.34 3hkd s ALA 270 CO 0.02 0.28 0.43 0.99 0.00 0.00 0.00 175.76 177.48 3hkd s THR 271 N -1.95 -0.68 0.01 0.00 2.01 -1.09 -2.25 115.64 111.69 3hkd s THR 271 Ca 0.34 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 3hkd s THR 271 Cb -0.09 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3hkd s THR 271 CO 0.29 -0.01 0.26 -0.47 -0.69 0.00 0.00 174.62 174.01 3hkd s TYR 272 N 2.63 3.57 0.00 4.92 5.04 -1.24 -4.04 117.35 128.23 3hkd s TYR 272 Ca 0.05 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 3hkd s TYR 272 Cb -0.13 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.20 3hkd s TYR 272 CO -0.15 0.61 0.00 0.00 -1.34 0.00 0.00 175.55 174.68 3hkd n ALA 273 N 1.09 0.00 -3.17 3.97 0.00 -0.29 -4.66 120.51 117.44 3hkd n ALA 273 Ca -0.11 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.88 3hkd n ALA 273 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 3hkd n ALA 273 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkd s PRO 274 N -0.00 3.80 -0.62 0.00 0.05 -1.26 -4.95 135.00 132.02 3hkd s PRO 274 Ca 0.00 -2.45 -0.24 0.00 0.05 0.00 0.00 61.00 58.36 3hkd s PRO 274 Cb 0.00 -4.67 0.05 0.00 0.05 0.00 0.00 34.50 29.93 3hkd s PRO 274 CO 0.00 -1.47 0.98 0.14 0.05 0.00 0.00 177.00 176.69 3hkd s VAL 275 N 0.72 4.31 0.01 -0.36 -7.23 -1.26 -4.98 120.40 111.61 3hkd s VAL 275 Ca 0.28 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.45 3hkd s VAL 275 Cb -0.08 -4.64 -0.01 0.00 0.56 0.00 0.00 36.38 32.22 3hkd s VAL 275 CO -0.08 -1.33 -0.05 -0.51 -0.31 0.00 0.00 175.10 172.82 3hkd s ILE 276 N 4.14 0.37 -0.15 -0.62 1.10 -1.26 -4.91 121.20 119.86 3hkd s ILE 276 Ca 0.27 -0.53 -0.20 0.00 -0.51 0.00 0.00 60.65 59.68 3hkd s ILE 276 Cb -0.14 -0.38 -0.03 0.00 0.15 0.00 0.00 42.46 42.05 3hkd s ILE 276 CO 0.15 -0.12 0.57 -0.94 -2.11 0.00 0.00 174.94 172.49 3hkd s SER 277 N -0.70 6.72 0.43 4.50 1.04 -1.26 -0.88 113.70 123.54 3hkd s SER 277 Ca -0.04 0.86 -0.24 0.00 0.48 0.00 0.00 55.95 57.01 3hkd s SER 277 Cb -0.05 -2.33 -0.10 0.00 0.10 0.00 0.00 66.02 63.64 3hkd s SER 277 CO -0.00 -0.14 1.05 0.00 0.98 0.00 0.00 173.24 175.13 3hkd n ALA 278 N 4.33 0.35 0.00 5.32 0.00 -0.80 0.86 120.51 130.57 3hkd n ALA 278 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3hkd n ALA 278 Cb 0.51 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3hkd n ALA 278 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hkd n GLU 279 N 0.08 0.00 -0.04 0.00 2.13 -1.26 -4.67 120.64 116.87 3hkd n GLU 279 Ca 0.09 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.01 3hkd n GLU 279 Cb 0.39 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.21 3hkd n GLU 279 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hkd n LYS 280 N 0.00 1.79 0.00 5.31 5.02 0.25 -4.77 118.16 125.76 3hkd n LYS 280 Ca 0.00 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 3hkd n LYS 280 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3hkd n LYS 280 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkd n ALA 281 N 1.09 0.82 -0.65 7.82 0.00 -1.23 -1.36 120.51 127.00 3hkd n ALA 281 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 3hkd n ALA 281 Cb 0.48 -0.76 0.06 0.00 0.00 0.00 0.00 19.45 19.23 3hkd n ALA 281 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hkd n TYR 282 N -1.30 0.00 -1.94 0.00 4.01 -1.26 -4.91 117.16 111.77 3hkd n TYR 282 Ca 0.00 -0.64 -0.34 0.00 -0.16 0.00 0.00 57.90 56.76 3hkd n TYR 282 Cb 0.10 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.07 3hkd n TYR 282 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3hkd s HIS 283 N -1.65 2.57 -0.52 -0.72 3.76 -0.46 -4.87 115.29 113.40 3hkd s HIS 283 Ca 0.13 1.55 -0.26 0.00 -0.15 0.00 0.00 55.06 56.33 3hkd s HIS 283 Cb 0.12 -3.27 -0.08 0.00 1.11 0.00 0.00 32.58 30.46 3hkd s HIS 283 CO 0.01 -1.77 2.43 -1.91 -0.85 0.00 0.00 174.74 172.65 3hkd n GLU 284 N -1.96 0.98 -0.73 1.40 2.13 -1.26 -4.86 120.64 116.35 3hkd n GLU 284 Ca 0.11 -0.06 -0.32 0.00 0.66 0.00 0.00 57.16 57.56 3hkd n GLU 284 Cb 0.51 -3.42 0.15 0.00 0.27 0.00 0.00 31.44 28.95 3hkd n GLU 284 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hkd n GLN 285 N 8.98 -0.39 -1.52 5.31 -0.00 -1.26 -4.92 117.38 123.58 3hkd n GLN 285 Ca 0.38 -0.06 -0.31 0.00 -0.00 0.00 0.00 57.00 57.01 3hkd n GLN 285 Cb 0.53 -2.17 0.06 0.00 -0.00 0.00 0.00 30.24 28.66 3hkd n GLN 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3hkd s LEU 286 N -4.39 3.15 0.18 2.61 1.02 -1.26 -5.03 118.68 114.96 3hkd s LEU 286 Ca 0.63 1.75 -0.18 0.00 0.02 0.00 0.00 54.13 56.34 3hkd s LEU 286 Cb -0.22 -4.51 -0.08 0.00 0.02 0.00 0.00 46.19 41.40 3hkd s LEU 286 CO 0.62 -1.66 0.65 -0.94 0.02 0.00 0.00 176.35 175.05 3hkd s SER 287 N -3.44 7.00 0.34 2.29 1.04 -1.26 -4.88 113.70 114.79 3hkd s SER 287 Ca 0.60 1.31 0.13 0.00 0.48 0.00 0.00 55.95 58.47 3hkd s SER 287 Cb -0.16 -2.38 1.07 0.00 0.10 0.00 0.00 66.02 64.66 3hkd s SER 287 CO 0.52 0.09 1.60 0.58 0.98 0.00 0.00 173.24 177.02 3hkd h VAL 288 N 2.89 0.11 0.98 5.02 2.07 -1.96 0.15 116.25 125.51 3hkd h VAL 288 Ca -0.48 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3hkd h VAL 288 Cb 1.20 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3hkd h VAL 288 CO 0.65 0.02 -0.47 0.00 0.02 0.00 0.00 177.57 177.79 3hkd h ALA 289 N 1.93 -1.33 -0.94 1.67 0.00 -1.93 -3.24 119.26 115.43 3hkd h ALA 289 Ca 0.73 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.44 3hkd h ALA 289 Cb 1.74 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.97 3hkd h ALA 289 CO -0.75 -1.23 0.61 1.49 0.00 0.00 0.00 179.25 179.36 3hkd h GLU 290 N -1.35 0.96 -0.24 0.00 4.81 -1.10 -1.68 114.58 115.97 3hkd h GLU 290 Ca -0.13 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 58.87 3hkd h GLU 290 Cb 1.01 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 3hkd h GLU 290 CO 0.22 0.63 -0.52 -0.84 -0.73 0.00 0.00 179.01 177.78 3hkd h ILE 291 N 0.99 1.30 -0.31 2.32 3.07 -1.60 -2.08 117.51 121.20 3hkd h ILE 291 Ca 0.43 -1.73 0.03 0.00 1.55 0.00 0.00 64.86 65.14 3hkd h ILE 291 Cb 0.35 1.67 -0.03 0.00 -0.27 0.00 0.00 36.82 38.54 3hkd h ILE 291 CO -0.19 0.55 0.12 0.74 -1.05 0.00 0.00 178.15 178.32 3hkd h THR 292 N 0.53 0.94 0.00 0.16 2.02 -1.41 -1.55 112.91 113.61 3hkd h THR 292 Ca 0.02 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3hkd h THR 292 Cb 1.08 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3hkd h THR 292 CO 0.10 0.05 0.00 -3.20 0.37 0.00 0.00 175.52 172.84 3hkd n ASN 293 N -5.00 0.00 -0.12 4.18 5.15 -0.70 -1.35 115.26 117.42 3hkd n ASN 293 Ca -0.00 -0.84 -0.16 0.00 -0.60 0.00 0.00 54.58 52.98 3hkd n ASN 293 Cb 0.10 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.22 3hkd n ASN 293 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hkd n ALA 294 N -0.66 1.45 -0.01 5.20 0.00 -0.60 -4.45 120.51 121.44 3hkd n ALA 294 Ca 0.04 -1.15 0.23 0.00 0.00 0.00 0.00 53.44 52.56 3hkd n ALA 294 Cb 0.02 -0.12 0.69 0.00 0.00 0.00 0.00 19.45 20.03 3hkd n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkd n PHE 296 N -3.67 2.90 -3.34 0.00 3.01 -1.25 -4.89 117.46 110.22 3hkd n PHE 296 Ca 0.12 -3.06 -0.11 0.00 1.01 0.00 0.00 57.45 55.41 3hkd n PHE 296 Cb 0.85 -1.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.25 3hkd n PHE 296 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3hkd s GLU 297 N -3.28 0.37 0.58 -1.08 2.56 -0.21 -5.03 118.70 112.62 3hkd s GLU 297 Ca 0.37 0.15 0.34 0.00 0.00 0.00 0.00 54.97 55.84 3hkd s GLU 297 Cb 0.14 -0.45 1.18 0.00 2.00 0.00 0.00 34.13 37.00 3hkd s GLU 297 CO -0.02 -0.94 1.37 -0.35 -0.56 0.00 0.00 175.26 174.76 3hkd n PRO 298 N 5.34 0.01 0.04 4.30 -0.04 -1.26 -0.43 135.00 142.96 3hkd n PRO 298 Ca -0.01 1.03 -0.13 0.00 -0.04 0.00 0.00 63.50 64.35 3hkd n PRO 298 Cb 0.49 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.36 3hkd n PRO 298 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hkd h ALA 299 N 0.67 -0.08 0.00 0.55 0.00 -1.96 -3.15 119.26 115.29 3hkd h ALA 299 Ca 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3hkd h ALA 299 Cb 3.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 21.02 3hkd h ALA 299 CO -0.01 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 178.93 3hkd n ASN 300 N -4.99 0.00 -4.34 0.00 3.02 0.43 -4.79 115.26 104.58 3hkd n ASN 300 Ca -0.08 -1.70 -0.29 0.00 -0.03 0.00 0.00 54.58 52.48 3hkd n ASN 300 Cb 0.18 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.57 3hkd n ASN 300 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hkd s GLN 301 N -2.00 -0.61 0.00 3.52 0.74 -1.19 -3.64 119.66 116.47 3hkd s GLN 301 Ca 0.04 0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.90 3hkd s GLN 301 Cb 0.02 -1.63 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 3hkd s GLN 301 CO 0.03 -3.41 0.25 -1.33 -0.55 0.00 0.00 175.29 170.29 3hkd n MET 302 N -4.63 4.66 -3.71 1.67 2.81 -0.95 -4.82 117.12 112.14 3hkd n MET 302 Ca 0.07 -0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.70 3hkd n MET 302 Cb 0.57 -0.75 -0.13 0.00 -0.71 0.00 0.00 33.22 32.20 3hkd n MET 302 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hkd s VAL 303 N -1.20 -0.12 -0.42 2.03 1.01 -1.26 -1.63 120.40 118.80 3hkd s VAL 303 Ca 0.02 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 3hkd s VAL 303 Cb 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3hkd s VAL 303 CO 0.14 0.08 1.99 -0.75 0.00 0.00 0.00 175.10 176.56 3hkd s LYS 304 N 1.53 2.87 0.00 2.72 2.47 -1.26 -4.84 119.74 123.23 3hkd s LYS 304 Ca -0.07 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 55.63 3hkd s LYS 304 Cb -0.11 -4.35 0.00 0.00 -1.46 0.00 0.00 37.83 31.91 3hkd s LYS 304 CO -0.08 -2.41 0.00 0.00 0.16 0.00 0.00 175.35 173.02 3hkd s ASP 306 N 1.66 -1.33 0.00 0.00 2.15 -1.26 -5.02 116.67 112.88 3hkd s ASP 306 Ca 0.00 -0.07 0.24 0.00 0.43 0.00 0.00 52.55 53.15 3hkd s ASP 306 Cb 0.00 1.79 0.98 0.00 -0.30 0.00 0.00 42.92 45.39 3hkd s ASP 306 CO 0.00 -0.22 1.68 -0.81 -0.17 0.00 0.00 175.17 175.66 3hkd n PRO 307 N 5.04 1.60 0.24 4.34 -0.04 -1.26 -3.46 135.00 141.45 3hkd n PRO 307 Ca 0.07 -0.88 0.12 0.00 -0.04 0.00 0.00 63.50 62.77 3hkd n PRO 307 Cb 0.56 -1.43 0.55 0.00 -0.04 0.00 0.00 33.50 33.14 3hkd n PRO 307 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hkd h ARG 308 N 1.94 0.00 0.00 0.54 3.08 -1.96 -3.28 114.38 114.69 3hkd h ARG 308 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkd h ARG 308 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3hkd h ARG 308 CO 0.00 0.17 -1.23 -2.39 -1.07 0.00 0.00 179.97 175.45 3hkd n HIS 309 N -3.38 0.00 -3.43 3.04 1.44 -1.22 -4.98 115.22 106.69 3hkd n HIS 309 Ca -0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 3hkd n HIS 309 Cb 0.38 -0.19 -0.02 0.00 0.12 0.00 0.00 29.99 30.28 3hkd n HIS 309 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3hkd s GLY 310 N -2.94 1.51 0.06 -1.39 0.00 -1.24 -5.04 107.32 98.27 3hkd s GLY 310 Ca -0.02 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 43.63 3hkd s GLY 310 CO 0.46 -0.77 0.72 0.54 0.00 0.00 0.00 173.10 174.06 3hkd s LYS 311 N -4.00 4.46 0.47 2.90 -0.14 -1.26 -4.80 119.74 117.37 3hkd s LYS 311 Ca 0.40 1.00 -0.22 0.00 -1.36 0.00 0.00 55.97 55.80 3hkd s LYS 311 Cb -0.10 -3.34 -0.08 0.00 -1.68 0.00 0.00 37.83 32.64 3hkd s LYS 311 CO 0.34 0.37 1.11 0.71 -0.76 0.00 0.00 175.35 177.11 3hkd s TYR 312 N -0.32 2.93 0.00 3.18 1.51 -0.34 -1.90 117.35 122.40 3hkd s TYR 312 Ca 0.36 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.99 3hkd s TYR 312 Cb -0.20 -3.25 0.00 0.00 -0.11 0.00 0.00 41.96 38.39 3hkd s TYR 312 CO 0.22 -1.22 0.34 0.00 -1.11 0.00 0.00 175.55 173.77 3hkd n MET 313 N -0.67 0.18 -3.65 -0.62 0.00 -1.05 -1.94 117.12 109.38 3hkd n MET 313 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 57.70 57.40 3hkd n MET 313 Cb 0.50 -0.61 -0.06 0.00 0.00 0.00 0.00 33.22 33.05 3hkd n MET 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkd s ALA 314 N -0.10 -2.52 -0.04 3.17 0.00 -1.26 -4.92 121.76 116.09 3hkd s ALA 314 Ca 0.00 1.97 0.02 0.00 0.00 0.00 0.00 51.96 53.94 3hkd s ALA 314 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3hkd s ALA 314 CO 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 175.76 175.41 3hkd s LEU 317 N -1.82 2.11 -0.47 0.00 1.43 -0.72 -1.15 118.68 118.06 3hkd s LEU 317 Ca 0.13 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 3hkd s LEU 317 Cb -0.10 -1.15 0.10 0.00 0.03 0.00 0.00 46.19 45.06 3hkd s LEU 317 CO 0.05 -0.15 0.36 -0.22 0.23 0.00 0.00 176.35 176.61 3hkd s LEU 318 N 1.46 5.58 0.18 1.79 0.20 -1.26 -1.02 118.68 125.60 3hkd s LEU 318 Ca -0.01 -1.60 -0.14 0.00 0.69 0.00 0.00 54.13 53.07 3hkd s LEU 318 Cb -0.16 -2.08 -0.07 0.00 -0.43 0.00 0.00 46.19 43.45 3hkd s LEU 318 CO -0.08 -0.66 0.58 -0.31 -0.29 0.00 0.00 176.35 175.59 3hkd s TYR 319 N 1.50 3.58 -0.10 5.38 1.51 0.18 -0.44 117.35 128.95 3hkd s TYR 319 Ca 0.04 1.09 -0.05 0.00 -1.01 0.00 0.00 57.07 57.14 3hkd s TYR 319 Cb -0.25 -2.40 0.05 0.00 -0.11 0.00 0.00 41.96 39.25 3hkd s TYR 319 CO 0.03 0.38 0.23 1.03 -1.11 0.00 0.00 175.55 176.11 3hkd s ARG 320 N -2.12 0.17 0.00 -0.62 0.52 -0.25 -2.03 118.95 114.63 3hkd s ARG 320 Ca 0.41 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 3hkd s ARG 320 Cb -0.14 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.20 3hkd s ARG 320 CO 0.20 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.74 3hkd n GLY 321 N 4.45 0.45 3.50 -3.53 0.00 0.15 -0.22 105.19 109.98 3hkd n GLY 321 Ca -0.22 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 3hkd n GLY 321 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hkd s ASP 322 N -4.00 6.25 -0.19 1.61 2.15 -1.08 -4.01 116.67 117.40 3hkd s ASP 322 Ca 0.00 -0.62 -0.08 0.00 0.43 0.00 0.00 52.55 52.28 3hkd s ASP 322 Cb 0.00 -2.44 0.08 0.00 -0.30 0.00 0.00 42.92 40.26 3hkd s ASP 322 CO 0.00 -1.38 0.42 -0.69 -0.17 0.00 0.00 175.17 173.35 3hkd s VAL 323 N 4.18 -0.48 -0.09 1.11 1.01 -1.26 -4.74 120.40 120.14 3hkd s VAL 323 Ca 0.27 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 3hkd s VAL 323 Cb -0.14 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3hkd s VAL 323 CO 0.15 0.06 0.47 -0.69 0.00 0.00 0.00 175.10 175.09 3hkd s VAL 324 N 2.28 5.14 0.36 2.92 1.01 -1.26 -5.00 120.40 125.85 3hkd s VAL 324 Ca -0.04 0.95 0.14 0.00 0.00 0.00 0.00 61.98 63.03 3hkd s VAL 324 Cb -0.11 -3.80 0.36 0.00 0.00 0.00 0.00 36.38 32.82 3hkd s VAL 324 CO -0.13 0.38 1.75 -0.65 0.00 0.00 0.00 175.10 176.45 3hkd h PRO 325 N 6.28 0.47 -1.13 2.72 0.11 -2.00 -2.07 132.00 136.38 3hkd h PRO 325 Ca -0.43 -0.03 0.40 0.00 0.11 0.00 0.00 66.00 66.05 3hkd h PRO 325 Cb 1.19 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 3hkd h PRO 325 CO 0.73 0.31 0.67 -0.22 -0.21 0.00 0.00 178.00 179.28 3hkd h LYS 326 N 0.48 0.11 0.38 1.05 3.11 -2.01 -1.58 116.57 118.10 3hkd h LYS 326 Ca 0.62 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.43 3hkd h LYS 326 Cb 1.38 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 3hkd h LYS 326 CO -0.38 0.07 -0.18 -0.44 -2.81 0.00 0.00 179.45 175.71 3hkd h ASP 327 N 0.11 -0.43 -0.94 4.20 3.32 -1.79 -3.32 116.42 117.56 3hkd h ASP 327 Ca 0.81 -0.11 0.21 0.00 0.02 0.00 0.00 57.03 57.96 3hkd h ASP 327 Cb 2.24 0.11 -0.18 0.00 0.22 0.00 0.00 39.33 41.72 3hkd h ASP 327 CO -0.60 0.00 -0.15 0.58 -1.72 0.00 0.00 179.24 177.36 3hkd h VAL 328 N -1.01 0.06 0.00 -1.35 2.07 -1.37 -2.57 116.25 112.08 3hkd h VAL 328 Ca -0.05 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hkd h VAL 328 Cb 0.52 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3hkd h VAL 328 CO 0.09 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.27 3hkd n ASN 329 N -5.55 0.00 0.28 0.57 5.03 -0.93 -1.46 115.26 113.19 3hkd n ASN 329 Ca 0.17 0.96 0.17 0.00 0.87 0.00 0.00 54.58 56.74 3hkd n ASN 329 Cb 0.55 -0.46 0.94 0.00 -1.02 0.00 0.00 39.78 39.79 3hkd n ASN 329 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hkd h ALA 330 N -1.81 1.51 0.80 5.41 0.00 -1.63 0.64 119.26 124.18 3hkd h ALA 330 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hkd h ALA 330 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hkd h ALA 330 CO 0.00 -0.08 -0.45 0.00 0.00 0.00 0.00 179.25 178.72 3hkd h ALA 331 N 1.93 -1.28 -0.72 0.00 0.00 -1.19 -2.86 119.26 115.13 3hkd h ALA 331 Ca 0.02 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.83 3hkd h ALA 331 Cb 0.13 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 3hkd h ALA 331 CO -0.00 -1.22 -0.12 0.82 0.00 0.00 0.00 179.25 178.73 3hkd h ILE 332 N -1.15 0.31 -0.99 0.00 2.04 0.19 -2.16 117.51 115.73 3hkd h ILE 332 Ca -0.11 -0.01 0.23 0.00 1.00 0.00 0.00 64.86 65.97 3hkd h ILE 332 Cb 0.91 0.27 -0.19 0.00 -0.74 0.00 0.00 36.82 37.08 3hkd h ILE 332 CO 0.14 0.01 -0.13 0.00 0.00 0.00 0.00 178.15 178.16 3hkd h ALA 333 N 1.71 0.87 -0.63 1.87 0.00 -0.81 0.99 119.26 123.26 3hkd h ALA 333 Ca 0.36 0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.64 3hkd h ALA 333 Cb 0.58 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hkd h ALA 333 CO -0.71 -0.46 0.00 0.25 0.00 0.00 0.00 179.25 178.33 3hkd n THR 334 N -5.57 1.55 0.09 0.00 -2.24 -0.86 -2.45 114.28 104.80 3hkd n THR 334 Ca 0.19 -1.07 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 3hkd n THR 334 Cb 0.61 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 69.02 3hkd n THR 334 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3hkd h ILE 335 N 3.91 1.49 0.10 2.28 2.04 0.15 -3.29 117.51 124.19 3hkd h ILE 335 Ca 0.00 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.31 3hkd h ILE 335 Cb 1.29 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 3hkd h ILE 335 CO 0.18 0.74 -0.05 0.07 0.00 0.00 0.00 178.15 179.09 3hkd h LYS 336 N 0.10 -0.12 0.00 2.37 -0.00 -1.14 -2.16 116.57 115.62 3hkd h LYS 336 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 3hkd h LYS 336 Cb 1.44 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.70 3hkd h LYS 336 CO 0.12 -0.08 0.00 2.41 -0.00 0.00 0.00 179.45 181.90 3hkd n THR 337 N -2.94 0.01 0.02 0.07 -1.04 -1.14 -3.23 114.28 106.02 3hkd n THR 337 Ca -0.02 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3hkd n THR 337 Cb 0.05 -0.89 -0.00 0.00 -1.82 0.00 0.00 70.33 67.66 3hkd n THR 337 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hkd n LYS 338 N -1.00 0.04 -0.07 -2.82 5.02 -1.24 -5.06 118.16 113.04 3hkd n LYS 338 Ca 0.05 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3hkd n LYS 338 Cb 0.02 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3hkd n LYS 338 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3hkd n ARG 339 N -3.15 0.58 -3.06 1.97 1.85 -0.81 -5.00 116.66 109.04 3hkd n ARG 339 Ca -0.01 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.39 3hkd n ARG 339 Cb 0.04 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.42 3hkd n ARG 339 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3hkd s THR 340 N -0.35 4.87 0.00 8.89 2.01 -1.26 -4.77 115.64 125.02 3hkd s THR 340 Ca 0.00 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 60.65 3hkd s THR 340 Cb 0.00 -4.60 0.00 0.00 0.01 0.00 0.00 72.50 67.91 3hkd s THR 340 CO 0.00 -1.27 0.15 2.30 -0.69 0.00 0.00 174.62 175.11 3hkd n ILE 341 N 5.31 0.00 -2.35 1.82 -0.00 -1.26 -4.93 119.36 117.95 3hkd n ILE 341 Ca 0.05 0.38 -0.04 0.00 -0.00 0.00 0.00 62.75 63.15 3hkd n ILE 341 Cb 0.46 -0.62 0.02 0.00 -0.00 0.00 0.00 39.64 39.50 3hkd n ILE 341 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hkd n GLN 342 N -0.45 -1.45 -3.33 6.28 6.02 -1.26 -4.90 117.38 118.29 3hkd n GLN 342 Ca 0.00 0.18 -0.20 0.00 -0.01 0.00 0.00 57.00 56.97 3hkd n GLN 342 Cb 0.00 -3.22 0.00 0.00 1.02 0.00 0.00 30.24 28.04 3hkd n GLN 342 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hkd s PHE 343 N -3.08 3.13 0.68 1.08 0.40 -1.26 -1.20 117.98 117.73 3hkd s PHE 343 Ca 0.01 -0.11 -0.10 0.00 -0.60 0.00 0.00 56.93 56.14 3hkd s PHE 343 Cb -0.01 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.45 3hkd s PHE 343 CO 0.16 -0.12 1.05 0.54 0.70 0.00 0.00 175.22 177.54 3hkd s VAL 344 N -2.28 3.31 0.42 -0.44 0.11 -0.82 -4.76 120.40 115.94 3hkd s VAL 344 Ca 0.46 0.25 0.19 0.00 -2.93 0.00 0.00 61.98 59.95 3hkd s VAL 344 Cb -0.10 -3.39 0.39 0.00 -1.53 0.00 0.00 36.38 31.75 3hkd s VAL 344 CO 0.33 -0.48 1.83 -0.78 -3.33 0.00 0.00 175.10 172.67 3hkd h ASP 345 N -0.56 0.40 0.00 3.54 1.82 -1.88 -3.36 116.42 116.37 3hkd h ASP 345 Ca -0.45 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 3hkd h ASP 345 Cb 1.27 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.26 3hkd h ASP 345 CO 0.63 0.13 -0.24 -2.67 -1.61 0.00 0.00 179.24 175.48 3hkd n TRP 346 N -4.52 0.00 -4.55 0.28 4.27 -1.26 -5.04 117.44 106.62 3hkd n TRP 346 Ca 0.21 -0.17 -0.25 0.00 -3.89 0.00 0.00 57.50 53.41 3hkd n TRP 346 Cb 0.77 -0.05 -0.17 0.00 -1.36 0.00 0.00 31.31 30.51 3hkd n TRP 346 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hkd n PRO 348 N 3.87 0.00 -2.88 0.00 -0.02 -1.26 -4.55 135.00 130.16 3hkd n PRO 348 Ca -0.23 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.14 3hkd n PRO 348 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.04 3hkd n PRO 348 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3hkd n THR 349 N 0.00 0.08 0.00 3.45 -1.04 -1.26 -4.97 114.28 110.53 3hkd n THR 349 Ca 0.00 -2.78 0.00 0.00 -2.04 0.00 0.00 64.05 59.23 3hkd n THR 349 Cb 0.00 0.71 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 3hkd n THR 349 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hkd n GLY 350 N 0.14 0.69 1.99 3.41 0.00 -1.26 -5.02 105.19 105.13 3hkd n GLY 350 Ca 0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 3hkd n GLY 350 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hkd n PHE 351 N 0.00 -0.85 -2.86 1.61 0.99 -0.13 -4.97 117.46 111.26 3hkd n PHE 351 Ca 0.00 0.31 -0.41 0.00 -0.00 0.00 0.00 57.45 57.35 3hkd n PHE 351 Cb 0.00 -2.51 -0.04 0.00 -1.00 0.00 0.00 39.48 35.93 3hkd n PHE 351 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3hkd s LYS 352 N -3.13 4.33 -0.13 -1.08 1.02 -1.11 -4.94 119.74 114.70 3hkd s LYS 352 Ca 0.04 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.14 3hkd s LYS 352 Cb -0.01 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.75 3hkd s LYS 352 CO 0.22 -0.30 -0.21 0.08 -0.92 0.00 0.00 175.35 174.23 3hkd s VAL 353 N 2.03 2.20 -0.27 3.17 1.01 -1.26 -1.75 120.40 125.53 3hkd s VAL 353 Ca 0.40 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3hkd s VAL 353 Cb -0.17 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.37 3hkd s VAL 353 CO 0.14 0.54 -0.05 -0.83 0.00 0.00 0.00 175.10 174.91 3hkd s GLY 354 N 0.71 1.68 -0.17 4.51 0.00 -0.19 -5.00 107.32 108.86 3hkd s GLY 354 Ca -0.09 -1.62 -0.14 0.00 0.00 0.00 0.00 44.72 42.87 3hkd s GLY 354 CO 0.01 0.60 0.31 -0.42 0.00 0.00 0.00 173.10 173.59 3hkd s ILE 355 N 1.26 5.29 -0.13 0.90 -1.09 -1.26 0.50 121.20 126.67 3hkd s ILE 355 Ca -0.03 0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 3hkd s ILE 355 Cb -0.18 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 3hkd s ILE 355 CO -0.03 0.37 -0.04 0.21 -1.23 0.00 0.00 174.94 174.21 3hkd s ASN 356 N 0.58 2.34 0.07 3.58 2.47 -0.86 -4.69 114.94 118.42 3hkd s ASN 356 Ca 0.17 -0.43 0.19 0.00 0.42 0.00 0.00 52.86 53.21 3hkd s ASN 356 Cb -0.13 -0.75 0.80 0.00 -1.45 0.00 0.00 41.25 39.72 3hkd s ASN 356 CO 0.05 -0.18 1.60 -1.22 -3.72 0.00 0.00 177.10 173.63 3hkd n TYR 357 N 4.98 0.24 -1.99 0.43 4.02 -1.26 0.31 117.16 123.88 3hkd n TYR 357 Ca -0.11 0.09 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 3hkd n TYR 357 Cb 0.49 -0.64 -0.03 0.00 -0.02 0.00 0.00 39.34 39.14 3hkd n TYR 357 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3hkd s GLN 358 N -3.08 3.29 0.35 -0.72 2.00 -1.26 -4.37 119.66 115.86 3hkd s GLN 358 Ca 0.08 1.39 -0.29 0.00 -2.00 0.00 0.00 55.36 54.54 3hkd s GLN 358 Cb 0.11 -4.21 -0.11 0.00 0.80 0.00 0.00 33.01 29.60 3hkd s GLN 358 CO 0.35 -1.92 1.53 -2.30 -0.50 0.00 0.00 175.29 172.45 3hkd n PRO 359 N 8.47 2.71 -2.31 1.67 -0.02 -1.26 -3.65 135.00 140.61 3hkd n PRO 359 Ca 0.23 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.24 3hkd n PRO 359 Cb 0.47 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 3hkd n PRO 359 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hkd s PRO 360 N -1.57 4.32 -0.07 0.52 0.04 -1.26 -4.96 135.00 132.01 3hkd s PRO 360 Ca 0.57 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 63.39 3hkd s PRO 360 Cb -0.48 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 3hkd s PRO 360 CO 0.59 -0.51 0.21 0.95 0.04 0.00 0.00 177.00 178.29 3hkd s THR 361 N 2.18 5.38 0.20 1.26 -4.23 -1.26 -4.18 115.64 114.99 3hkd s THR 361 Ca 0.61 0.30 0.09 0.00 -1.18 0.00 0.00 61.69 61.52 3hkd s THR 361 Cb -0.29 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 3hkd s THR 361 CO 0.25 0.56 -0.09 0.68 -0.54 0.00 0.00 174.62 175.48 3hkd s VAL 362 N -1.10 3.18 0.19 2.29 -7.23 -1.26 -4.98 120.40 111.49 3hkd s VAL 362 Ca 0.19 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 58.31 3hkd s VAL 362 Cb -0.13 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.10 3hkd s VAL 362 CO 0.09 -0.17 1.57 0.68 -0.31 0.00 0.00 175.10 176.96 3hkd s VAL 363 N -1.85 2.49 0.02 1.32 -7.23 -1.26 -4.95 120.40 108.94 3hkd s VAL 363 Ca 0.26 0.36 -0.07 0.00 -1.81 0.00 0.00 61.98 60.72 3hkd s VAL 363 Cb -0.08 -3.23 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 3hkd s VAL 363 CO 0.16 0.04 1.11 1.55 -0.31 0.00 0.00 175.10 177.64 3hkd h PRO 364 N 6.38 -0.18 -1.32 4.82 0.13 -1.99 0.37 132.00 140.21 3hkd h PRO 364 Ca -0.43 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.31 3hkd h PRO 364 Cb 1.21 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 3hkd h PRO 364 CO 0.89 -0.12 0.51 0.41 -0.23 0.00 0.00 178.00 179.46 3hkd n GLY 365 N -1.11 4.38 0.00 1.56 0.00 -1.26 -4.92 105.19 103.85 3hkd n GLY 365 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3hkd n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkd n GLY 366 N -0.07 -0.51 0.04 -0.02 0.00 0.12 -5.05 105.19 99.69 3hkd n GLY 366 Ca 0.38 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 3hkd n GLY 366 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkd n ASP 367 N 0.00 3.24 -4.98 1.61 8.00 -1.26 -4.96 116.55 118.20 3hkd n ASP 367 Ca 0.00 -0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.29 3hkd n ASP 367 Cb 0.00 0.52 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 3hkd n ASP 367 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hkd s LEU 368 N -4.72 3.39 0.34 0.64 1.02 -1.26 -1.91 118.68 116.19 3hkd s LEU 368 Ca -0.05 -0.16 0.08 0.00 0.02 0.00 0.00 54.13 54.02 3hkd s LEU 368 Cb 0.02 -2.77 -0.05 0.00 0.02 0.00 0.00 46.19 43.42 3hkd s LEU 368 CO 0.28 -1.04 0.09 0.00 0.02 0.00 0.00 176.35 175.71 3hkd s ALA 369 N -2.64 3.39 0.04 4.21 0.00 -0.06 -4.01 121.76 122.69 3hkd s ALA 369 Ca 0.57 -1.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 3hkd s ALA 369 Cb -0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 3hkd s ALA 369 CO 0.37 0.03 1.66 -1.59 0.00 0.00 0.00 175.76 176.23 3hkd s LYS 370 N -3.80 4.20 0.14 0.00 -2.85 -1.26 -4.85 119.74 111.31 3hkd s LYS 370 Ca 0.37 2.30 0.07 0.00 -1.00 0.00 0.00 55.97 57.70 3hkd s LYS 370 Cb -0.01 -3.71 -0.04 0.00 -2.06 0.00 0.00 37.83 32.01 3hkd s LYS 370 CO 0.21 -0.76 -0.04 0.08 0.10 0.00 0.00 175.35 174.94 3hkd s VAL 371 N 3.02 3.63 -0.07 1.79 1.01 -1.26 -5.05 120.40 123.48 3hkd s VAL 371 Ca 0.74 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 3hkd s VAL 371 Cb -0.38 -2.76 -0.22 0.00 0.00 0.00 0.00 36.38 33.01 3hkd s VAL 371 CO 0.32 0.00 1.06 1.56 0.00 0.00 0.00 175.10 178.04 3hkd h GLN 372 N 3.14 -0.00 -5.05 2.72 1.08 -1.94 -3.37 115.11 111.69 3hkd h GLN 372 Ca -0.48 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.30 3hkd h GLN 372 Cb 1.18 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.35 3hkd h GLN 372 CO 0.56 0.69 -0.79 -0.98 -0.95 0.00 0.00 178.83 177.36 3hkd s ARG 373 N -3.43 0.86 0.06 1.46 1.70 -1.26 -2.63 118.95 115.71 3hkd s ARG 373 Ca -0.17 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.53 3hkd s ARG 373 Cb -0.00 -0.84 -0.03 0.00 -0.57 0.00 0.00 34.95 33.51 3hkd s ARG 373 CO 0.68 0.22 -0.05 0.00 -1.08 0.00 0.00 175.30 175.06 3hkd s ALA 374 N -0.59 0.58 0.17 7.88 0.00 0.69 -4.77 121.76 125.72 3hkd s ALA 374 Ca 0.02 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3hkd s ALA 374 Cb -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3hkd s ALA 374 CO 0.00 -0.19 -0.13 0.08 0.00 0.00 0.00 175.76 175.53 3hkd s VAL 375 N -2.62 1.43 0.00 0.00 1.01 -1.26 -1.09 120.40 117.88 3hkd s VAL 375 Ca -0.01 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 59.90 3hkd s VAL 375 Cb -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3hkd s VAL 375 CO -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 175.10 174.43 3hkd n MET 377 N -0.00 -0.74 -3.60 0.00 0.00 -1.25 -3.70 117.12 107.83 3hkd n MET 377 Ca 0.00 0.71 -0.40 0.00 0.00 0.00 0.00 57.70 58.01 3hkd n MET 377 Cb 0.16 -0.47 -0.09 0.00 0.00 0.00 0.00 33.22 32.82 3hkd n MET 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hkd s LEU 378 N 0.00 5.61 -0.13 -0.89 1.43 -0.30 -2.66 118.68 121.73 3hkd s LEU 378 Ca 0.00 -1.93 -0.06 0.00 -1.03 0.00 0.00 54.13 51.11 3hkd s LEU 378 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3hkd s LEU 378 CO 0.00 -0.66 0.09 -0.94 0.23 0.00 0.00 176.35 175.07 3hkd s SER 379 N 2.51 5.94 -1.07 2.29 1.04 -0.08 -1.65 113.70 122.68 3hkd s SER 379 Ca 0.06 0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.72 3hkd s SER 379 Cb -0.26 -1.91 0.29 0.00 0.10 0.00 0.00 66.02 64.25 3hkd s SER 379 CO -0.01 0.33 1.30 -3.20 0.98 0.00 0.00 173.24 172.64 3hkd n ASN 380 N 2.52 5.94 -4.93 7.02 4.05 -0.11 0.16 115.26 129.92 3hkd n ASN 380 Ca -0.18 -3.27 -0.26 0.00 0.45 0.00 0.00 54.58 51.32 3hkd n ASN 380 Cb 0.54 -1.28 -0.01 0.00 1.23 0.00 0.00 39.78 40.25 3hkd n ASN 380 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3hkd s THR 381 N -2.20 5.03 -2.09 -0.44 -1.32 -1.26 -2.52 115.64 110.84 3hkd s THR 381 Ca 0.31 -0.19 0.16 0.00 -1.21 0.00 0.00 61.69 60.76 3hkd s THR 381 Cb -0.01 -3.85 0.40 0.00 -1.51 0.00 0.00 72.50 67.54 3hkd s THR 381 CO 0.03 -0.62 1.37 0.35 -2.21 0.00 0.00 174.62 173.54 3hkd n THR 382 N -1.83 0.49 0.35 5.08 -2.24 -0.80 -3.57 114.28 111.76 3hkd n THR 382 Ca -0.03 -0.54 0.12 0.00 -2.27 0.00 0.00 64.05 61.33 3hkd n THR 382 Cb 0.56 0.35 0.04 0.00 -2.10 0.00 0.00 70.33 69.17 3hkd n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkd n ALA 383 N 0.72 2.89 0.46 6.98 0.00 -1.26 -3.71 120.51 126.59 3hkd n ALA 383 Ca 0.15 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.34 3hkd n ALA 383 Cb 0.37 -1.06 0.26 0.00 0.00 0.00 0.00 19.45 19.02 3hkd n ALA 383 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3hkd n ILE 384 N -2.30 0.97 1.70 0.00 3.06 -1.23 -0.65 119.36 120.90 3hkd n ILE 384 Ca 0.01 0.24 0.12 0.00 -2.50 0.00 0.00 62.75 60.63 3hkd n ILE 384 Cb 0.49 -1.06 0.61 0.00 0.54 0.00 0.00 39.64 40.22 3hkd n ILE 384 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hkd n ALA 385 N -1.38 2.60 -0.06 1.51 0.00 -1.24 -3.16 120.51 118.77 3hkd n ALA 385 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 3hkd n ALA 385 Cb 0.11 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 18.56 3hkd n ALA 385 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hkd h GLU 386 N 1.08 0.67 0.00 0.00 4.81 -1.14 -2.43 114.58 117.58 3hkd h GLU 386 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3hkd h GLU 386 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3hkd h GLU 386 CO 0.00 0.59 -0.41 0.00 -0.73 0.00 0.00 179.01 178.47 3hkd n ALA 387 N -2.47 3.01 0.23 2.92 0.00 -1.19 -1.82 120.51 121.20 3hkd n ALA 387 Ca 0.03 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.35 3hkd n ALA 387 Cb 0.19 -1.23 0.31 0.00 0.00 0.00 0.00 19.45 18.71 3hkd n ALA 387 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3hkd h TRP 388 N 0.00 0.00 0.01 0.00 -0.00 -1.54 -3.15 115.95 111.28 3hkd h TRP 388 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.89 58.49 3hkd h TRP 388 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.70 3hkd h TRP 388 CO 0.00 0.05 -2.40 0.00 -0.00 0.00 0.00 178.44 176.08 3hkd n ALA 389 N -2.11 1.31 0.16 1.49 0.00 -1.13 -3.23 120.51 116.99 3hkd n ALA 389 Ca 0.03 -1.03 0.19 0.00 0.00 0.00 0.00 53.44 52.62 3hkd n ALA 389 Cb 0.48 -0.13 0.77 0.00 0.00 0.00 0.00 19.45 20.57 3hkd n ALA 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkd h ARG 390 N -0.22 0.00 0.00 0.00 3.08 -1.47 0.10 114.38 115.88 3hkd h ARG 390 Ca -0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3hkd h ARG 390 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 3hkd h ARG 390 CO -0.14 0.00 0.00 -0.11 -1.07 0.00 0.00 179.97 178.65 3hkd n LEU 391 N -3.51 1.60 0.00 3.04 7.94 -1.19 -4.29 117.00 120.58 3hkd n LEU 391 Ca 0.04 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3hkd n LEU 391 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3hkd n LEU 391 CO 0.24 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.99 3hkd n ASP 392 N -0.31 0.00 -0.14 1.96 10.43 -0.94 0.63 116.55 128.18 3hkd n ASP 392 Ca 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.30 3hkd n ASP 392 Cb 0.00 0.00 0.03 0.00 1.84 0.00 0.00 41.12 42.99 3hkd n ASP 392 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 3hkd h HIS 393 N 0.00 0.48 0.47 1.24 2.76 -1.02 0.54 115.15 119.62 3hkd h HIS 393 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3hkd h HIS 393 Cb 0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3hkd h HIS 393 CO 0.00 0.27 -0.40 0.87 -1.30 0.00 0.00 177.93 177.37 3hkd h LYS 394 N 0.52 -0.83 -0.73 5.26 1.57 0.01 -0.46 116.57 121.89 3hkd h LYS 394 Ca 0.18 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.15 3hkd h LYS 394 Cb 0.03 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.40 3hkd h LYS 394 CO -0.09 -0.56 -0.31 0.35 -0.57 0.00 0.00 179.45 178.27 3hkd h PHE 395 N -0.87 -0.82 -0.38 -1.35 3.57 -1.25 0.26 116.94 116.11 3hkd h PHE 395 Ca -0.05 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3hkd h PHE 395 Cb 0.75 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.88 3hkd h PHE 395 CO -0.19 -0.38 -0.12 -0.44 -2.23 0.00 0.00 178.31 174.96 3hkd h ASP 396 N -0.08 -0.42 0.97 0.41 5.19 0.34 -1.65 116.42 121.18 3hkd h ASP 396 Ca 0.30 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 3hkd h ASP 396 Cb 0.57 0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.34 3hkd h ASP 396 CO -0.78 -0.15 0.00 -0.11 -3.12 0.00 0.00 179.24 175.07 3hkd n LEU 397 N -5.32 0.05 -0.04 1.55 0.00 0.82 -2.10 117.00 111.96 3hkd n LEU 397 Ca 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 56.01 56.50 3hkd n LEU 397 Cb 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 43.42 43.15 3hkd n LEU 397 CO 0.15 -0.04 -0.26 0.23 0.00 0.00 0.00 177.39 177.46 3hkd n MET 398 N -1.55 0.28 -0.47 1.96 2.81 -0.62 -4.42 117.12 115.11 3hkd n MET 398 Ca 0.06 0.32 0.41 0.00 -1.81 0.00 0.00 57.70 56.69 3hkd n MET 398 Cb 0.33 -1.22 0.76 0.00 -0.71 0.00 0.00 33.22 32.38 3hkd n MET 398 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3hkd h TYR 399 N -0.58 0.06 -0.06 2.03 3.20 -1.32 0.88 116.97 121.18 3hkd h TYR 399 Ca 0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3hkd h TYR 399 Cb 0.39 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hkd h TYR 399 CO -0.17 -0.01 0.61 0.00 -1.64 0.00 0.00 178.16 176.95 3hkd h ALA 400 N 1.29 1.67 0.00 1.82 0.00 -1.63 0.19 119.26 122.59 3hkd h ALA 400 Ca 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 3hkd h ALA 400 Cb 2.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.59 3hkd h ALA 400 CO -0.05 -0.63 -0.10 1.63 0.00 0.00 0.00 179.25 180.09 3hkd n LYS 401 N -2.81 1.26 -0.16 0.00 4.01 0.30 -4.93 118.16 115.85 3hkd n LYS 401 Ca 0.00 -1.55 0.00 0.00 -0.51 0.00 0.00 58.31 56.25 3hkd n LYS 401 Cb 0.65 -0.96 0.00 0.00 -0.51 0.00 0.00 35.03 34.21 3hkd n LYS 401 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3hkd n ARG 402 N -0.60 0.00 0.00 1.97 5.12 0.67 -4.85 116.66 118.97 3hkd n ARG 402 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3hkd n ARG 402 Cb 0.51 -3.51 0.00 0.00 -1.16 0.00 0.00 32.46 28.30 3hkd n ARG 402 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hkd n ALA 403 N 0.89 0.00 0.76 7.54 0.00 -1.21 0.70 120.51 129.20 3hkd n ALA 403 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3hkd n ALA 403 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3hkd n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hkd n PHE 404 N 0.00 0.00 -0.35 0.00 3.01 -1.26 -4.72 117.46 114.14 3hkd n PHE 404 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 3hkd n PHE 404 Cb 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 39.48 39.75 3hkd n PHE 404 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 3hkd n VAL 405 N 0.79 -0.42 0.04 -4.37 3.14 0.22 -2.15 118.33 115.58 3hkd n VAL 405 Ca 0.10 2.20 0.21 0.00 -2.96 0.00 0.00 64.34 63.88 3hkd n VAL 405 Cb 0.44 -3.19 0.73 0.00 -1.06 0.00 0.00 33.84 30.75 3hkd n VAL 405 CO 0.00 0.00 0.00 1.12 -6.46 0.00 0.00 176.83 171.49 3hkd h HIS 406 N 0.00 0.00 0.00 1.45 2.07 -1.85 0.70 115.15 117.52 3hkd h HIS 406 Ca 0.59 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.11 3hkd h HIS 406 Cb 1.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 3hkd h HIS 406 CO -0.53 0.00 -0.02 -1.49 -3.07 0.00 0.00 177.93 172.81 3hkd h TRP 407 N 0.00 0.00 0.00 6.12 4.06 -1.83 -1.26 115.95 123.04 3hkd h TRP 407 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3hkd h TRP 407 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3hkd h TRP 407 CO 0.00 0.02 -0.38 1.88 -3.56 0.00 0.00 178.44 176.40 3hkd h TYR 408 N 0.00 0.00 -1.55 0.49 -1.99 0.21 -3.12 116.97 111.00 3hkd h TYR 408 Ca -0.00 0.00 0.45 0.00 2.00 0.00 0.00 58.73 61.18 3hkd h TYR 408 Cb 0.24 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.91 3hkd h TYR 408 CO 0.00 0.00 1.21 0.28 -0.00 0.00 0.00 178.16 179.65 3hkd h VAL 409 N -0.81 0.12 0.00 -2.88 2.07 -1.56 0.50 116.25 113.69 3hkd h VAL 409 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hkd h VAL 409 Cb 0.38 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3hkd h VAL 409 CO 0.00 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.82 3hkd h GLY 410 N 0.00 -0.21 2.00 2.17 0.00 -1.30 -3.24 103.07 102.48 3hkd h GLY 410 Ca 0.74 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 48.15 3hkd h GLY 410 CO -0.01 -0.08 -0.04 0.83 0.00 0.00 0.00 176.54 177.24 3hkd h GLU 411 N -0.01 0.00 0.00 4.80 4.39 -0.85 -3.43 114.58 119.48 3hkd h GLU 411 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hkd h GLU 411 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hkd h GLU 411 CO 0.00 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 3hkd n GLY 412 N -1.22 -0.10 2.73 -3.84 0.00 -0.86 -4.80 105.19 97.10 3hkd n GLY 412 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3hkd n GLY 412 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hkd n MET 413 N 0.00 -0.88 -4.11 1.61 1.56 -0.96 -4.95 117.12 109.39 3hkd n MET 413 Ca 0.00 -1.47 -0.33 0.00 -0.27 0.00 0.00 57.70 55.63 3hkd n MET 413 Cb 0.00 -0.95 -0.16 0.00 2.15 0.00 0.00 33.22 34.26 3hkd n MET 413 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 3hkd s GLU 414 N -5.03 2.85 0.22 2.12 2.56 -1.26 -4.40 118.70 115.76 3hkd s GLU 414 Ca 0.53 -0.92 0.13 0.00 0.00 0.00 0.00 54.97 54.71 3hkd s GLU 414 Cb -0.01 -2.62 0.77 0.00 2.00 0.00 0.00 34.13 34.26 3hkd s GLU 414 CO 0.37 -0.28 0.87 0.39 -0.56 0.00 0.00 175.26 176.06 3hkd n GLU 415 N 4.59 -0.03 0.10 4.30 -0.58 -1.26 -0.34 120.64 127.41 3hkd n GLU 415 Ca -0.20 0.75 0.05 0.00 -0.42 0.00 0.00 57.16 57.34 3hkd n GLU 415 Cb 0.49 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.97 3hkd n GLU 415 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3hkd h GLY 416 N 0.00 0.00 2.00 0.62 0.00 -2.00 -3.30 103.07 100.39 3hkd h GLY 416 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 3hkd h GLY 416 CO -0.38 0.00 -0.13 -2.09 0.00 0.00 0.00 176.54 173.94 3hkd h GLU 417 N 0.00 0.00 0.43 4.80 4.81 -1.11 -0.37 114.58 123.13 3hkd h GLU 417 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3hkd h GLU 417 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3hkd h GLU 417 CO 0.03 0.13 -0.20 0.74 -0.73 0.00 0.00 179.01 178.98 3hkd h PHE 418 N 0.00 -0.53 -0.82 0.92 -1.00 -1.64 -2.94 116.94 110.93 3hkd h PHE 418 Ca -0.00 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.84 3hkd h PHE 418 Cb 0.32 0.18 -0.10 0.00 3.61 0.00 0.00 35.95 39.95 3hkd h PHE 418 CO 0.00 -0.22 -0.49 0.43 -1.61 0.00 0.00 178.31 176.42 3hkd n SER 419 N -5.18 -0.87 0.32 2.17 7.64 -0.95 -1.31 113.62 115.44 3hkd n SER 419 Ca -0.09 1.61 0.19 0.00 1.01 0.00 0.00 58.87 61.60 3hkd n SER 419 Cb 0.28 -0.26 1.08 0.00 -1.01 0.00 0.00 64.21 64.30 3hkd n SER 419 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3hkd h GLU 420 N 0.00 0.00 0.14 1.43 4.81 -1.19 -1.61 114.58 118.17 3hkd h GLU 420 Ca 0.13 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.02 3hkd h GLU 420 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hkd h GLU 420 CO -0.77 0.00 -1.73 0.00 -0.73 0.00 0.00 179.01 175.78 3hkd h ALA 421 N 1.98 0.28 -0.83 2.92 0.00 -1.00 -3.20 119.26 119.41 3hkd h ALA 421 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 3hkd h ALA 421 Cb 0.03 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hkd h ALA 421 CO -0.00 1.15 0.46 -0.09 0.00 0.00 0.00 179.25 180.77 3hkd h ARG 422 N 0.08 1.15 -0.91 0.00 9.65 -0.92 -1.82 114.38 121.61 3hkd h ARG 422 Ca -0.33 -0.13 0.25 0.00 -1.10 0.00 0.00 59.98 58.67 3hkd h ARG 422 Cb 2.06 -0.23 -0.14 0.00 -1.39 0.00 0.00 29.97 30.27 3hkd h ARG 422 CO 0.15 0.84 0.37 0.93 2.80 0.00 0.00 179.97 185.07 3hkd h GLU 423 N 1.15 0.31 -0.25 0.20 4.39 -1.39 0.17 114.58 119.16 3hkd h GLU 423 Ca 0.29 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 3hkd h GLU 423 Cb 0.02 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hkd h GLU 423 CO -0.05 0.20 -0.45 0.22 -1.16 0.00 0.00 179.01 177.78 3hkd h ASP 424 N 0.32 0.83 0.51 1.42 3.58 -1.32 -2.02 116.42 119.74 3hkd h ASP 424 Ca 0.59 -0.53 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 3hkd h ASP 424 Cb 1.20 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 42.02 3hkd h ASP 424 CO -0.59 1.21 -0.25 0.24 -2.88 0.00 0.00 179.24 176.97 3hkd h MET 425 N 0.49 -0.66 -0.96 0.28 2.86 -1.05 0.42 114.93 116.31 3hkd h MET 425 Ca 0.02 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.86 3hkd h MET 425 Cb 1.05 0.15 -0.16 0.00 0.06 0.00 0.00 31.60 32.70 3hkd h MET 425 CO 0.10 -0.41 -0.34 0.00 1.06 0.00 0.00 176.91 177.31 3hkd h ALA 426 N -0.29 0.29 -0.34 6.32 0.00 -0.66 0.49 119.26 125.07 3hkd h ALA 426 Ca -0.07 0.30 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3hkd h ALA 426 Cb 0.56 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3hkd h ALA 426 CO 0.12 -0.56 -0.27 0.00 0.00 0.00 0.00 179.25 178.54 3hkd h ALA 427 N 1.53 0.89 0.80 0.00 0.00 -1.04 -2.55 119.26 118.87 3hkd h ALA 427 Ca 0.37 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hkd h ALA 427 Cb 0.63 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hkd h ALA 427 CO -0.97 0.63 -0.38 1.25 0.00 0.00 0.00 179.25 179.77 3hkd h LEU 428 N 0.60 -0.91 -1.57 0.00 5.85 0.33 -1.83 115.31 117.79 3hkd h LEU 428 Ca 0.08 0.03 0.46 0.00 0.84 0.00 0.00 57.88 59.28 3hkd h LEU 428 Cb 0.77 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 3hkd h LEU 428 CO 0.06 -0.57 1.17 -0.62 -0.34 0.00 0.00 178.44 178.15 3hkd n GLU 429 N -5.32 0.00 -0.04 1.25 1.02 0.14 0.11 120.64 117.79 3hkd n GLU 429 Ca -0.13 0.90 -0.15 0.00 -0.02 0.00 0.00 57.16 57.76 3hkd n GLU 429 Cb 0.42 -2.09 -0.12 0.00 -0.02 0.00 0.00 31.44 29.63 3hkd n GLU 429 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3hkd h LYS 430 N 0.00 0.08 -0.74 3.49 3.64 -1.00 -2.92 116.57 119.12 3hkd h LYS 430 Ca 0.75 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 60.05 3hkd h LYS 430 Cb 3.08 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 34.89 3hkd h LYS 430 CO -0.01 0.95 0.47 -0.44 -2.27 0.00 0.00 179.45 178.15 3hkd h ASP 431 N -0.74 0.76 -0.04 4.20 3.32 0.15 0.11 116.42 124.19 3hkd h ASP 431 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3hkd h ASP 431 Cb 1.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3hkd h ASP 431 CO 0.03 0.53 -0.04 1.88 -1.72 0.00 0.00 179.24 179.91 3hkd h TYR 432 N 0.91 0.23 0.10 4.55 -1.99 -1.32 -1.27 116.97 118.17 3hkd h TYR 432 Ca 0.30 -0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.75 3hkd h TYR 432 Cb 0.03 -0.07 0.01 0.00 2.00 0.00 0.00 36.73 38.70 3hkd h TYR 432 CO -0.04 0.28 -1.16 0.93 -0.00 0.00 0.00 178.16 178.17 3hkd h GLU 433 N 0.22 0.41 0.00 4.88 5.08 -1.20 -3.32 114.58 120.65 3hkd h GLU 433 Ca 0.05 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3hkd h GLU 433 Cb 0.23 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hkd h GLU 433 CO 0.01 1.23 0.00 0.39 -1.00 0.00 0.00 179.01 179.64 3hkd n GLU 434 N -3.67 0.68 0.00 2.33 1.02 0.34 -2.49 120.64 118.85 3hkd n GLU 434 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 3hkd n GLU 434 Cb 0.96 -1.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.30 3hkd n GLU 434 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hkd n VAL 435 N -0.50 0.00 -2.33 2.62 0.31 -1.09 -4.97 118.33 112.37 3hkd n VAL 435 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.75 3hkd n VAL 435 Cb 0.00 1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.93 3hkd n VAL 435 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3hkd s GLY 436 N -2.38 2.30 0.00 2.92 0.00 -1.04 -4.76 107.32 104.36 3hkd s GLY 436 Ca 0.07 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3hkd s GLY 436 CO 0.60 2.11 0.00 1.55 0.00 0.00 0.00 173.10 177.37 3hkd n VAL 437 N 3.70 0.00 0.00 1.40 3.14 -1.26 -5.04 118.33 120.27 3hkd n VAL 437 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3hkd n VAL 437 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 3hkd n VAL 437 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84