#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s GLN 4 N 0.00 4.00 -0.21 1.57 -2.07 -1.26 -4.97 119.66 116.73 3ag3 s GLN 4 Ca 0.00 1.10 0.13 0.00 -1.82 0.00 0.00 55.36 54.77 3ag3 s GLN 4 Cb 0.00 -2.14 0.44 0.00 -1.09 0.00 0.00 33.01 30.22 3ag3 s GLN 4 CO 0.00 -0.23 1.20 0.25 -1.32 0.00 0.00 175.29 175.19 3ag3 n THR 5 N -1.12 1.94 -4.18 3.63 -2.24 -1.26 -5.01 114.28 106.04 3ag3 n THR 5 Ca 0.07 -3.18 -0.28 0.00 -2.27 0.00 0.00 64.05 58.40 3ag3 n THR 5 Cb 0.54 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 3ag3 n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ag3 s HIS 6 N -2.93 1.86 -1.72 4.78 0.00 -1.26 -5.05 115.29 110.97 3ag3 s HIS 6 Ca 0.40 -0.83 0.22 0.00 -3.00 0.00 0.00 55.06 51.85 3ag3 s HIS 6 Cb 0.38 -1.84 0.69 0.00 -4.00 0.00 0.00 32.58 27.81 3ag3 s HIS 6 CO -0.05 -0.16 1.58 0.00 -1.00 0.00 0.00 174.74 175.11 3ag3 n ALA 7 N -1.53 2.63 -2.12 -1.38 0.00 -1.26 -5.00 120.51 111.84 3ag3 n ALA 7 Ca -0.07 -1.41 -0.20 0.00 0.00 0.00 0.00 53.44 51.77 3ag3 n ALA 7 Cb 0.65 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 19.15 3ag3 n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ag3 s TYR 8 N -1.29 2.94 -0.31 0.00 2.02 -1.26 -4.58 117.35 114.87 3ag3 s TYR 8 Ca 0.51 -0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 57.01 3ag3 s TYR 8 Cb 0.29 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 3ag3 s TYR 8 CO 0.31 -0.52 0.10 -1.58 -1.57 0.00 0.00 175.55 172.30 3ag3 s HIS 9 N -2.51 3.18 -0.38 2.71 5.04 -1.26 -5.04 115.29 117.04 3ag3 s HIS 9 Ca 0.53 -1.06 -0.27 0.00 -1.54 0.00 0.00 55.06 52.73 3ag3 s HIS 9 Cb -0.10 -2.28 0.02 0.00 0.04 0.00 0.00 32.58 30.25 3ag3 s HIS 9 CO 0.36 -0.61 0.98 -1.64 -2.34 0.00 0.00 174.74 171.48 3ag3 s MET 10 N 1.49 3.85 0.17 2.88 -1.94 -1.26 -5.03 119.30 119.46 3ag3 s MET 10 Ca 0.02 0.64 -0.18 0.00 -1.71 0.00 0.00 55.69 54.46 3ag3 s MET 10 Cb -0.18 -3.81 -0.08 0.00 2.01 0.00 0.00 34.83 32.78 3ag3 s MET 10 CO 0.03 -1.00 0.64 0.08 -0.01 0.00 0.00 175.02 174.76 3ag3 s VAL 11 N 3.63 4.69 0.47 -6.03 1.01 -1.26 -5.04 120.40 117.88 3ag3 s VAL 11 Ca 0.40 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 3ag3 s VAL 11 Cb -0.11 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3ag3 s VAL 11 CO 0.20 0.27 1.33 0.20 0.00 0.00 0.00 175.10 177.10 3ag3 s ASN 12 N -1.60 5.82 0.31 3.32 0.02 -1.26 -4.90 114.94 116.65 3ag3 s ASN 12 Ca 0.39 2.70 -0.28 0.00 -1.02 0.00 0.00 52.86 54.65 3ag3 s ASN 12 Cb -0.17 -2.64 -0.13 0.00 0.02 0.00 0.00 41.25 38.34 3ag3 s ASN 12 CO 0.20 -1.19 1.15 -2.65 0.02 0.00 0.00 177.10 174.63 3ag3 n PRO 13 N -0.45 1.72 -3.97 -0.60 -0.02 -1.26 -4.95 135.00 125.47 3ag3 n PRO 13 Ca 0.07 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 3ag3 n PRO 13 Cb 0.44 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 3ag3 n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ag3 s SER 14 N -0.43 0.26 0.00 2.55 0.15 -1.26 -5.03 113.70 109.94 3ag3 s SER 14 Ca 0.57 -0.37 0.27 0.00 0.70 0.00 0.00 55.95 57.12 3ag3 s SER 14 Cb -0.64 0.06 0.90 0.00 -1.71 0.00 0.00 66.02 64.64 3ag3 s SER 14 CO 0.61 -0.21 1.66 -0.81 1.20 0.00 0.00 173.24 175.69 3ag3 n PRO 15 N 1.98 0.82 0.06 5.44 -0.04 -1.26 -4.35 135.00 137.66 3ag3 n PRO 15 Ca -0.21 -0.43 -0.05 0.00 -0.04 0.00 0.00 63.50 62.77 3ag3 n PRO 15 Cb 0.56 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.68 3ag3 n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ag3 h TRP 16 N 1.05 0.42 -0.54 0.54 -0.00 -1.96 -1.60 115.95 113.87 3ag3 h TRP 16 Ca 0.00 -0.13 0.03 0.00 -0.00 0.00 0.00 58.89 58.79 3ag3 h TRP 16 Cb 0.46 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.50 3ag3 h TRP 16 CO 0.00 0.76 0.32 -1.35 -0.00 0.00 0.00 178.44 178.17 3ag3 h PRO 17 N 0.28 0.61 -0.10 0.49 0.11 -1.98 0.32 132.00 131.72 3ag3 h PRO 17 Ca 0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3ag3 h PRO 17 Cb 0.95 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ag3 h PRO 17 CO 0.08 0.40 0.03 1.25 -0.21 0.00 0.00 178.00 179.55 3ag3 h LEU 18 N 0.62 0.15 -1.23 2.35 5.85 -1.79 0.85 115.31 122.11 3ag3 h LEU 18 Ca 0.22 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3ag3 h LEU 18 Cb 0.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3ag3 h LEU 18 CO -0.11 0.33 0.17 0.71 -0.34 0.00 0.00 178.44 179.20 3ag3 h THR 19 N -0.03 1.19 -0.37 1.05 1.35 -1.13 -0.03 112.91 114.94 3ag3 h THR 19 Ca 0.03 -0.62 -0.11 0.00 -0.55 0.00 0.00 66.41 65.16 3ag3 h THR 19 Cb 0.24 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 3ag3 h THR 19 CO -0.00 0.24 -0.19 1.23 -0.25 0.00 0.00 175.52 176.55 3ag3 h GLY 20 N 0.86 0.86 1.14 5.82 0.00 -0.11 0.19 103.07 111.83 3ag3 h GLY 20 Ca 0.16 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 3ag3 h GLY 20 CO -0.01 0.71 0.51 0.00 0.00 0.00 0.00 176.54 177.75 3ag3 h ALA 21 N 0.80 1.32 -0.01 3.60 0.00 -0.40 -1.32 119.26 123.25 3ag3 h ALA 21 Ca 0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3ag3 h ALA 21 Cb 0.74 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ag3 h ALA 21 CO 0.06 0.59 -0.89 -0.07 0.00 0.00 0.00 179.25 178.94 3ag3 h LEU 22 N 1.16 0.43 -1.77 0.00 3.38 -0.85 -1.91 115.31 115.74 3ag3 h LEU 22 Ca 0.30 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ag3 h LEU 22 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ag3 h LEU 22 CO -0.06 1.13 0.17 0.77 0.09 0.00 0.00 178.44 180.55 3ag3 h SER 23 N 0.20 0.26 -0.45 -0.43 4.64 -0.28 0.55 113.55 118.03 3ag3 h SER 23 Ca -0.06 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3ag3 h SER 23 Cb 1.51 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.52 3ag3 h SER 23 CO 0.15 0.19 0.09 0.00 -0.87 0.00 0.00 176.83 176.39 3ag3 h ALA 24 N 1.84 0.59 -0.61 5.18 0.00 -0.78 0.27 119.26 125.75 3ag3 h ALA 24 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ag3 h ALA 24 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3ag3 h ALA 24 CO -0.02 0.30 0.15 1.25 0.00 0.00 0.00 179.25 180.93 3ag3 h LEU 25 N 0.60 0.88 -0.33 0.00 5.85 -0.69 -1.58 115.31 120.04 3ag3 h LEU 25 Ca 0.14 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 3ag3 h LEU 25 Cb 0.35 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ag3 h LEU 25 CO 0.01 0.85 -0.72 -0.07 -0.34 0.00 0.00 178.44 178.17 3ag3 h LEU 26 N 0.91 0.68 -0.38 2.25 3.38 -0.40 -0.13 115.31 121.61 3ag3 h LEU 26 Ca 0.20 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3ag3 h LEU 26 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3ag3 h LEU 26 CO -0.00 1.19 0.19 0.24 0.09 0.00 0.00 178.44 180.15 3ag3 h MET 27 N 0.40 0.54 0.06 1.13 2.86 -0.91 0.16 114.93 119.18 3ag3 h MET 27 Ca -0.03 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.35 3ag3 h MET 27 Cb 1.31 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 32.89 3ag3 h MET 27 CO 0.13 0.47 -0.75 1.79 1.06 0.00 0.00 176.91 179.61 3ag3 h THR 28 N 0.47 1.44 -0.84 2.22 1.35 -1.17 -0.31 112.91 116.06 3ag3 h THR 28 Ca 0.13 -2.27 0.17 0.00 -0.55 0.00 0.00 66.41 63.89 3ag3 h THR 28 Cb 0.10 2.80 -0.11 0.00 -1.73 0.00 0.00 68.15 69.22 3ag3 h THR 28 CO -0.02 0.66 0.38 0.28 -0.25 0.00 0.00 175.52 176.57 3ag3 h SER 29 N -0.14 0.38 -0.14 5.36 0.02 -1.09 -1.37 113.55 116.57 3ag3 h SER 29 Ca -0.11 0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 3ag3 h SER 29 Cb 1.50 0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.13 3ag3 h SER 29 CO 0.15 0.10 -0.80 1.23 -1.14 0.00 0.00 176.83 176.37 3ag3 h GLY 30 N 0.48 0.87 1.21 -3.77 0.00 -0.52 0.89 103.07 102.24 3ag3 h GLY 30 Ca 0.49 -1.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 3ag3 h GLY 30 CO -0.44 1.11 0.36 1.41 0.00 0.00 0.00 176.54 178.98 3ag3 h LEU 31 N 0.54 0.93 -0.27 3.11 3.38 -0.84 0.78 115.31 122.94 3ag3 h LEU 31 Ca -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ag3 h LEU 31 Cb 1.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3ag3 h LEU 31 CO 0.16 0.77 0.17 0.74 0.09 0.00 0.00 178.44 180.37 3ag3 h THR 32 N 1.03 1.09 -0.83 0.22 2.02 -1.01 0.17 112.91 115.59 3ag3 h THR 32 Ca 0.25 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 3ag3 h THR 32 Cb 0.08 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3ag3 h THR 32 CO -0.04 0.09 0.45 -0.03 0.37 0.00 0.00 175.52 176.36 3ag3 h MET 33 N 0.34 1.15 -0.08 6.66 -1.53 -0.33 -0.03 114.93 121.12 3ag3 h MET 33 Ca 0.10 -0.13 -0.04 0.00 -3.44 0.00 0.00 59.70 56.18 3ag3 h MET 33 Cb -0.01 -0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 30.82 3ag3 h MET 33 CO -0.02 0.85 -0.12 2.35 0.14 0.00 0.00 176.91 180.11 3ag3 h TRP 34 N 1.15 0.28 0.00 1.39 7.01 -0.48 0.29 115.95 125.59 3ag3 h TRP 34 Ca 0.29 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 3ag3 h TRP 34 Cb 0.03 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3ag3 h TRP 34 CO 0.01 0.70 -0.33 0.74 -2.79 0.00 0.00 178.44 176.77 3ag3 h PHE 35 N -0.23 0.00 0.00 2.65 0.04 -0.50 -3.35 116.94 115.55 3ag3 h PHE 35 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3ag3 h PHE 35 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3ag3 h PHE 35 CO 0.10 0.33 -0.71 0.72 -0.60 0.00 0.00 178.31 178.16 3ag3 n HIS 36 N -3.62 0.00 -1.73 -0.55 8.25 -0.04 -4.80 115.22 112.73 3ag3 n HIS 36 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3ag3 n HIS 36 Cb 0.45 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.67 3ag3 n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ag3 n PHE 37 N -1.31 0.00 -4.19 4.41 3.72 0.98 -5.02 117.46 116.04 3ag3 n PHE 37 Ca 0.00 -0.80 -0.38 0.00 -0.05 0.00 0.00 57.45 56.22 3ag3 n PHE 37 Cb 0.00 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 3ag3 n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ag3 n ASN 38 N -0.61 -1.33 -3.70 4.37 5.15 -1.00 -4.89 115.26 113.25 3ag3 n ASN 38 Ca 0.11 -1.27 -0.12 0.00 -0.60 0.00 0.00 54.58 52.70 3ag3 n ASN 38 Cb 0.78 -1.72 -0.09 0.00 -0.53 0.00 0.00 39.78 38.21 3ag3 n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ag3 s SER 39 N -4.02 -0.56 0.00 1.20 0.15 -1.14 -5.00 113.70 104.34 3ag3 s SER 39 Ca 0.22 1.03 0.21 0.00 0.70 0.00 0.00 55.95 58.11 3ag3 s SER 39 Cb -0.12 1.00 0.25 0.00 -1.71 0.00 0.00 66.02 65.44 3ag3 s SER 39 CO 0.98 -0.18 1.24 0.23 1.20 0.00 0.00 173.24 176.71 3ag3 n MET 40 N 3.26 2.14 0.22 5.44 2.81 -1.26 -2.38 117.12 127.35 3ag3 n MET 40 Ca -0.16 -1.93 -0.15 0.00 -1.81 0.00 0.00 57.70 53.65 3ag3 n MET 40 Cb 0.56 -1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 31.56 3ag3 n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3ag3 h THR 41 N 4.19 0.30 -0.71 2.03 2.02 -1.96 -0.83 112.91 117.95 3ag3 h THR 41 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3ag3 h THR 41 Cb 0.91 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3ag3 h THR 41 CO 0.00 0.00 0.44 -0.07 0.37 0.00 0.00 175.52 176.26 3ag3 h LEU 42 N -0.72 0.73 -0.55 2.58 3.38 -1.88 -2.47 115.31 116.37 3ag3 h LEU 42 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ag3 h LEU 42 Cb 0.64 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3ag3 h LEU 42 CO -0.05 0.50 0.28 0.25 0.09 0.00 0.00 178.44 179.51 3ag3 h LEU 43 N 0.87 0.71 -1.01 1.67 5.85 -1.68 0.11 115.31 121.83 3ag3 h LEU 43 Ca 0.29 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3ag3 h LEU 43 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3ag3 h LEU 43 CO -0.11 0.62 -0.19 0.24 -0.34 0.00 0.00 178.44 178.66 3ag3 h MET 44 N 0.75 0.49 -0.32 1.25 2.86 -0.98 0.10 114.93 119.08 3ag3 h MET 44 Ca 0.19 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 3ag3 h MET 44 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3ag3 h MET 44 CO -0.03 0.66 -0.23 0.82 1.06 0.00 0.00 176.91 179.19 3ag3 h ILE 45 N 0.44 1.29 -0.50 -1.22 2.04 -0.99 -1.84 117.51 116.73 3ag3 h ILE 45 Ca 0.07 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 3ag3 h ILE 45 Cb 0.59 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3ag3 h ILE 45 CO 0.04 0.45 0.04 1.23 0.00 0.00 0.00 178.15 179.91 3ag3 h GLY 46 N 0.49 0.87 1.43 5.37 0.00 -0.30 0.75 103.07 111.68 3ag3 h GLY 46 Ca 0.06 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 3ag3 h GLY 46 CO 0.06 0.52 -0.20 1.41 0.00 0.00 0.00 176.54 178.33 3ag3 h LEU 47 N 0.76 0.67 -0.20 3.11 3.38 -0.69 0.12 115.31 122.47 3ag3 h LEU 47 Ca 0.16 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3ag3 h LEU 47 Cb 0.40 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ag3 h LEU 47 CO 0.01 0.87 -0.11 0.74 0.09 0.00 0.00 178.44 180.03 3ag3 h THR 48 N 0.59 1.31 -0.46 0.22 2.02 -0.75 -2.27 112.91 113.57 3ag3 h THR 48 Ca 0.09 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 3ag3 h THR 48 Cb 0.67 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 3ag3 h THR 48 CO 0.05 0.36 0.13 0.71 0.37 0.00 0.00 175.52 177.14 3ag3 h THR 49 N 0.11 1.19 -0.51 3.16 1.35 -0.75 -0.80 112.91 116.67 3ag3 h THR 49 Ca 0.04 -0.66 0.02 0.00 -0.55 0.00 0.00 66.41 65.27 3ag3 h THR 49 Cb 0.61 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 3ag3 h THR 49 CO 0.03 0.25 0.30 -1.13 -0.25 0.00 0.00 175.52 174.72 3ag3 h ASN 50 N 0.66 0.48 -0.25 5.36 -1.24 -0.63 -0.76 115.58 119.20 3ag3 h ASN 50 Ca 0.15 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.08 3ag3 h ASN 50 Cb 0.21 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 3ag3 h ASN 50 CO -0.01 0.34 -0.21 0.24 -1.29 0.00 0.00 177.43 176.51 3ag3 h MET 51 N 0.60 0.59 -0.75 6.67 2.86 -1.07 -1.02 114.93 122.80 3ag3 h MET 51 Ca 0.21 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3ag3 h MET 51 Cb 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 3ag3 h MET 51 CO -0.10 0.88 0.46 -0.07 1.06 0.00 0.00 176.91 179.15 3ag3 h LEU 52 N 0.30 0.89 0.04 1.22 3.38 -1.12 -1.52 115.31 118.50 3ag3 h LEU 52 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ag3 h LEU 52 Cb 0.75 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ag3 h LEU 52 CO 0.05 0.67 -0.03 0.74 0.09 0.00 0.00 178.44 179.97 3ag3 h THR 53 N 1.02 0.94 -0.50 0.22 2.02 -0.79 -1.51 112.91 114.30 3ag3 h THR 53 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 3ag3 h THR 53 Cb -0.06 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3ag3 h THR 53 CO -0.05 0.00 0.32 0.24 0.37 0.00 0.00 175.52 176.39 3ag3 h MET 54 N -0.07 0.68 -0.08 6.66 2.86 -1.04 0.40 114.93 124.34 3ag3 h MET 54 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3ag3 h MET 54 Cb 0.06 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3ag3 h MET 54 CO 0.00 0.48 0.05 -0.92 1.06 0.00 0.00 176.91 177.58 3ag3 h TYR 55 N 0.68 0.10 -0.24 -0.22 3.20 -1.20 -1.25 116.97 118.04 3ag3 h TYR 55 Ca 0.18 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 3ag3 h TYR 55 Cb -0.03 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3ag3 h TYR 55 CO -0.03 0.11 -0.46 1.96 -1.64 0.00 0.00 178.16 178.10 3ag3 h GLN 56 N 0.06 0.61 0.09 1.82 4.20 -1.12 0.59 115.11 121.36 3ag3 h GLN 56 Ca 0.03 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 3ag3 h GLN 56 Cb 0.04 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3ag3 h GLN 56 CO -0.01 0.94 -0.04 2.35 -0.67 0.00 0.00 178.83 181.40 3ag3 h TRP 57 N 0.49 -0.11 -0.02 2.96 2.91 -0.80 -0.64 115.95 120.73 3ag3 h TRP 57 Ca 0.03 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.90 3ag3 h TRP 57 Cb 0.98 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.66 3ag3 h TRP 57 CO 0.04 0.11 -0.69 -1.49 -1.03 0.00 0.00 178.44 175.39 3ag3 h TRP 58 N -0.33 0.14 -0.70 2.65 6.55 -1.23 -1.43 115.95 121.60 3ag3 h TRP 58 Ca -0.01 -0.06 0.11 0.00 0.95 0.00 0.00 58.89 59.87 3ag3 h TRP 58 Cb 0.28 -0.02 -0.08 0.00 -0.86 0.00 0.00 29.16 28.48 3ag3 h TRP 58 CO -0.01 0.76 0.30 -0.09 -1.05 0.00 0.00 178.44 178.36 3ag3 h ARG 59 N 0.07 0.49 -0.23 0.49 2.43 -0.79 -1.97 114.38 114.86 3ag3 h ARG 59 Ca -0.01 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3ag3 h ARG 59 Cb 1.22 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3ag3 h ARG 59 CO 0.10 0.32 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.06 3ag3 h ASP 60 N 0.50 0.53 -0.58 -3.80 3.32 -0.47 -0.26 116.42 115.67 3ag3 h ASP 60 Ca 0.36 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3ag3 h ASP 60 Cb 0.45 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3ag3 h ASP 60 CO -0.32 0.86 0.28 0.58 -1.72 0.00 0.00 179.24 178.92 3ag3 h VAL 61 N 0.43 1.20 -0.36 -1.35 2.07 -0.77 0.16 116.25 117.63 3ag3 h VAL 61 Ca 0.04 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 3ag3 h VAL 61 Cb 0.85 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3ag3 h VAL 61 CO 0.07 0.24 -0.06 0.40 0.02 0.00 0.00 177.57 178.25 3ag3 h ILE 62 N 0.86 1.27 -0.75 4.57 2.04 -0.88 -1.68 117.51 122.94 3ag3 h ILE 62 Ca 0.21 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 65.01 3ag3 h ILE 62 Cb 0.11 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3ag3 h ILE 62 CO -0.03 0.36 0.46 0.03 0.00 0.00 0.00 178.15 178.98 3ag3 h ARG 63 N 0.48 0.86 -0.33 2.37 3.08 -0.52 -0.54 114.38 119.78 3ag3 h ARG 63 Ca 0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3ag3 h ARG 63 Cb 0.55 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3ag3 h ARG 63 CO 0.03 0.57 0.04 0.93 -1.07 0.00 0.00 179.97 180.47 3ag3 h GLU 64 N 0.89 0.50 0.00 0.04 5.08 -0.50 -0.17 114.58 120.41 3ag3 h GLU 64 Ca 0.31 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ag3 h GLU 64 Cb 0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ag3 h GLU 64 CO -0.13 0.50 -0.32 -1.13 -1.00 0.00 0.00 179.01 176.93 3ag3 n SER 65 N -4.32 0.71 -0.05 1.42 3.41 -0.65 -0.24 113.62 113.90 3ag3 n SER 65 Ca 0.02 0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 3ag3 n SER 65 Cb 0.21 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 3ag3 n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ag3 h THR 66 N -0.37 1.07 0.05 6.66 2.02 -1.30 -1.96 112.91 119.08 3ag3 h THR 66 Ca 0.00 -0.15 -0.30 0.00 0.77 0.00 0.00 66.41 66.72 3ag3 h THR 66 Cb 0.32 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3ag3 h THR 66 CO 0.00 0.07 -1.70 -0.26 0.37 0.00 0.00 175.52 174.00 3ag3 h PHE 67 N 0.29 0.18 0.00 3.16 0.05 -1.43 -3.40 116.94 115.79 3ag3 h PHE 67 Ca 0.08 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.74 3ag3 h PHE 67 Cb -0.01 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 37.93 3ag3 h PHE 67 CO -0.06 1.24 -1.21 1.04 -0.18 0.00 0.00 178.31 179.14 3ag3 n GLN 68 N -3.23 1.33 -0.92 1.51 6.02 -0.10 -5.02 117.38 116.97 3ag3 n GLN 68 Ca -0.19 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3ag3 n GLN 68 Cb 1.04 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 31.06 3ag3 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ag3 n GLY 69 N 1.57 0.62 0.02 1.08 0.00 -0.73 -4.94 105.19 102.80 3ag3 n GLY 69 Ca -0.00 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.40 3ag3 n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ag3 n HIS 70 N -2.85 0.00 -2.95 1.61 8.25 0.67 -4.46 115.22 115.48 3ag3 n HIS 70 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3ag3 n HIS 70 Cb 0.10 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 30.86 3ag3 n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ag3 s HIS 71 N -2.77 3.49 1.05 4.41 3.76 -1.26 -4.76 115.29 119.21 3ag3 s HIS 71 Ca 0.21 -2.11 -0.12 0.00 -0.15 0.00 0.00 55.06 52.88 3ag3 s HIS 71 Cb 0.19 -4.31 0.22 0.00 1.11 0.00 0.00 32.58 29.79 3ag3 s HIS 71 CO 0.52 -1.40 1.07 0.95 -0.85 0.00 0.00 174.74 175.03 3ag3 s THR 72 N 1.61 2.08 0.34 1.30 -4.23 -1.26 -4.69 115.64 110.78 3ag3 s THR 72 Ca 0.42 0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 3ag3 s THR 72 Cb -0.03 -2.37 0.25 0.00 1.34 0.00 0.00 72.50 71.70 3ag3 s THR 72 CO -0.00 -0.03 1.99 -0.65 -0.54 0.00 0.00 174.62 175.39 3ag3 h PRO 73 N -2.13 0.85 -0.59 3.99 0.11 -1.94 0.14 132.00 132.42 3ag3 h PRO 73 Ca -0.57 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.45 3ag3 h PRO 73 Cb 1.33 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3ag3 h PRO 73 CO 0.55 0.58 0.24 0.00 -0.21 0.00 0.00 178.00 179.16 3ag3 h ALA 74 N 1.57 0.77 -0.67 -0.75 0.00 -1.91 0.40 119.26 118.67 3ag3 h ALA 74 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ag3 h ALA 74 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ag3 h ALA 74 CO -0.05 0.39 0.29 0.28 0.00 0.00 0.00 179.25 180.16 3ag3 h VAL 75 N 0.82 1.24 -0.17 0.00 2.07 -1.58 -1.90 116.25 116.74 3ag3 h VAL 75 Ca 0.20 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 3ag3 h VAL 75 Cb 0.20 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3ag3 h VAL 75 CO -0.02 0.29 -0.49 -0.61 0.02 0.00 0.00 177.57 176.77 3ag3 h GLN 76 N 0.95 0.44 -0.35 1.57 4.15 -0.42 -1.81 115.11 119.64 3ag3 h GLN 76 Ca 0.23 -0.25 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3ag3 h GLN 76 Cb 0.18 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3ag3 h GLN 76 CO -0.02 0.84 -0.20 -0.22 -1.93 0.00 0.00 178.83 177.29 3ag3 h LYS 77 N 0.35 0.66 -0.90 1.69 3.64 -0.62 -1.58 116.57 119.82 3ag3 h LYS 77 Ca 0.02 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 3ag3 h LYS 77 Cb 0.99 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 3ag3 h LYS 77 CO 0.09 0.81 0.58 0.78 -2.27 0.00 0.00 179.45 179.44 3ag3 h GLY 78 N 0.99 1.30 1.81 5.01 0.00 -0.96 -2.08 103.07 109.13 3ag3 h GLY 78 Ca 0.09 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3ag3 h GLY 78 CO 0.05 0.39 -0.18 1.41 0.00 0.00 0.00 176.54 178.20 3ag3 h LEU 79 N 1.13 0.22 -0.11 3.11 3.38 -0.90 0.21 115.31 122.36 3ag3 h LEU 79 Ca 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3ag3 h LEU 79 Cb -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ag3 h LEU 79 CO -0.11 0.42 0.04 0.03 0.09 0.00 0.00 178.44 178.91 3ag3 h ARG 80 N 0.22 0.17 -0.89 1.13 3.08 -0.99 0.48 114.38 117.56 3ag3 h ARG 80 Ca 0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3ag3 h ARG 80 Cb 0.45 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 3ag3 h ARG 80 CO 0.03 0.30 0.59 1.88 -1.07 0.00 0.00 179.97 181.70 3ag3 h TYR 81 N 0.00 1.11 -0.68 3.04 0.05 -1.07 -1.42 116.97 118.00 3ag3 h TYR 81 Ca 0.04 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3ag3 h TYR 81 Cb 0.20 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3ag3 h TYR 81 CO -0.01 0.69 0.20 0.78 -1.05 0.00 0.00 178.16 178.77 3ag3 h GLY 82 N 1.19 1.14 1.53 3.88 0.00 -0.54 -1.04 103.07 109.22 3ag3 h GLY 82 Ca 0.33 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3ag3 h GLY 82 CO -0.08 0.64 -0.51 1.98 0.00 0.00 0.00 176.54 178.56 3ag3 h MET 83 N 0.99 0.50 -0.48 4.80 1.85 -0.65 -0.73 114.93 121.22 3ag3 h MET 83 Ca 0.22 -0.30 -0.06 0.00 -0.61 0.00 0.00 59.70 58.95 3ag3 h MET 83 Cb 0.31 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.35 3ag3 h MET 83 CO -0.00 0.90 0.07 0.82 -0.40 0.00 0.00 176.91 178.29 3ag3 h ILE 84 N 0.39 1.25 -0.38 1.77 2.04 -0.82 -1.54 117.51 120.22 3ag3 h ILE 84 Ca 0.01 -0.93 -0.14 0.00 1.00 0.00 0.00 64.86 64.81 3ag3 h ILE 84 Cb 1.03 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3ag3 h ILE 84 CO 0.09 0.33 -0.31 -0.07 0.00 0.00 0.00 178.15 178.19 3ag3 h LEU 85 N 0.66 0.86 -0.22 1.44 3.38 -1.12 -0.11 115.31 120.19 3ag3 h LEU 85 Ca 0.14 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3ag3 h LEU 85 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ag3 h LEU 85 CO 0.01 1.09 0.05 0.15 0.09 0.00 0.00 178.44 179.84 3ag3 h PHE 86 N 0.69 0.09 -0.85 1.13 3.57 -0.81 -1.65 116.94 119.11 3ag3 h PHE 86 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3ag3 h PHE 86 Cb 0.85 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 3ag3 h PHE 86 CO 0.05 0.03 0.46 0.82 -2.23 0.00 0.00 178.31 177.44 3ag3 h ILE 87 N 0.14 1.25 -0.75 1.41 2.04 -1.00 -1.81 117.51 118.78 3ag3 h ILE 87 Ca 0.10 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.40 3ag3 h ILE 87 Cb 0.09 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 3ag3 h ILE 87 CO -0.12 0.28 0.42 0.40 0.00 0.00 0.00 178.15 179.13 3ag3 h ILE 88 N 1.19 0.94 -0.91 -0.67 2.04 -0.74 -0.61 117.51 118.76 3ag3 h ILE 88 Ca 0.30 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.95 3ag3 h ILE 88 Cb 0.04 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 3ag3 h ILE 88 CO -0.05 0.14 0.58 0.77 0.00 0.00 0.00 178.15 179.59 3ag3 h SER 89 N 0.75 0.94 0.28 1.72 4.64 -0.73 -1.20 113.55 119.94 3ag3 h SER 89 Ca 0.35 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 3ag3 h SER 89 Cb 0.26 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3ag3 h SER 89 CO -0.21 0.62 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.59 3ag3 h GLU 90 N 1.09 0.21 -0.67 4.77 4.39 -0.75 -1.07 114.58 122.55 3ag3 h GLU 90 Ca 0.38 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 3ag3 h GLU 90 Cb 0.09 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3ag3 h GLU 90 CO -0.15 0.62 0.15 0.28 -1.16 0.00 0.00 179.01 178.76 3ag3 h VAL 91 N 0.18 1.26 -0.28 3.13 2.07 -0.04 -1.95 116.25 120.62 3ag3 h VAL 91 Ca 0.01 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 3ag3 h VAL 91 Cb 0.86 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3ag3 h VAL 91 CO 0.07 0.37 -0.31 -0.07 0.02 0.00 0.00 177.57 177.65 3ag3 h LEU 92 N 1.00 0.60 -0.12 2.57 -0.00 -0.96 0.11 115.31 118.50 3ag3 h LEU 92 Ca 0.21 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3ag3 h LEU 92 Cb 0.38 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 3ag3 h LEU 92 CO 0.00 0.87 0.07 0.15 -0.00 0.00 0.00 178.44 179.53 3ag3 h PHE 93 N 0.50 0.17 -0.51 1.13 3.57 -0.97 -2.63 116.94 118.20 3ag3 h PHE 93 Ca 0.06 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3ag3 h PHE 93 Cb 0.78 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3ag3 h PHE 93 CO 0.03 0.19 0.17 0.74 -2.23 0.00 0.00 178.31 177.21 3ag3 h PHE 94 N 0.10 0.77 -0.86 0.41 -1.00 -1.01 -2.33 116.94 113.01 3ag3 h PHE 94 Ca 0.04 -0.05 0.16 0.00 2.81 0.00 0.00 57.97 60.93 3ag3 h PHE 94 Cb 0.08 -0.23 -0.07 0.00 3.61 0.00 0.00 35.95 39.34 3ag3 h PHE 94 CO -0.04 0.62 0.56 1.15 -1.61 0.00 0.00 178.31 178.99 3ag3 h THR 95 N 0.74 0.79 -0.99 -1.55 2.02 -0.45 0.13 112.91 113.61 3ag3 h THR 95 Ca 0.17 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3ag3 h THR 95 Cb 0.21 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 3ag3 h THR 95 CO -0.01 0.10 0.65 1.23 0.37 0.00 0.00 175.52 177.87 3ag3 h GLY 96 N 0.57 1.39 1.59 2.16 0.00 -1.11 0.43 103.07 108.10 3ag3 h GLY 96 Ca 0.44 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 3ag3 h GLY 96 CO -0.18 0.51 -0.72 0.74 0.00 0.00 0.00 176.54 176.89 3ag3 h PHE 97 N 1.34 0.54 -0.46 5.60 0.04 -1.04 -1.30 116.94 121.66 3ag3 h PHE 97 Ca 0.36 -0.24 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 3ag3 h PHE 97 Cb -0.15 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 3ag3 h PHE 97 CO 0.00 0.99 -0.17 0.74 -0.60 0.00 0.00 178.31 179.26 3ag3 h PHE 98 N 0.28 1.06 -0.51 -0.55 0.04 -0.83 0.27 116.94 116.70 3ag3 h PHE 98 Ca -0.03 -0.25 0.06 0.00 2.80 0.00 0.00 57.97 60.55 3ag3 h PHE 98 Cb 1.29 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 39.14 3ag3 h PHE 98 CO 0.04 1.04 0.22 2.35 -0.60 0.00 0.00 178.31 181.37 3ag3 h TRP 99 N 0.77 0.40 -0.45 -0.55 2.91 -0.87 -0.36 115.95 117.81 3ag3 h TRP 99 Ca 0.11 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.10 3ag3 h TRP 99 Cb 0.74 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 3ag3 h TRP 99 CO 0.05 0.16 0.06 0.00 -1.03 0.00 0.00 178.44 177.69 3ag3 h ALA 100 N 1.31 0.60 -0.29 2.65 0.00 -0.66 -0.69 119.26 122.18 3ag3 h ALA 100 Ca 0.24 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3ag3 h ALA 100 Cb 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3ag3 h ALA 100 CO -0.21 0.33 -0.27 0.35 0.00 0.00 0.00 179.25 179.46 3ag3 h PHE 101 N 0.61 -0.72 -0.09 0.00 3.57 -0.63 -1.95 116.94 117.73 3ag3 h PHE 101 Ca 0.13 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 3ag3 h PHE 101 Cb 0.40 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3ag3 h PHE 101 CO 0.03 -0.34 -0.42 1.88 -2.23 0.00 0.00 178.31 177.22 3ag3 h TYR 102 N -0.26 0.24 -0.59 0.41 -1.99 -0.85 -1.54 116.97 112.40 3ag3 h TYR 102 Ca 0.15 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 3ag3 h TYR 102 Cb 0.49 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 3ag3 h TYR 102 CO -0.44 0.59 0.28 1.25 -0.00 0.00 0.00 178.16 179.85 3ag3 h HIS 103 N 0.17 0.85 0.09 4.88 2.76 -0.96 0.18 115.15 123.11 3ag3 h HIS 103 Ca 0.01 -0.04 -0.26 0.00 -2.20 0.00 0.00 60.37 57.88 3ag3 h HIS 103 Cb 0.82 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.53 3ag3 h HIS 103 CO 0.01 0.65 -1.14 0.77 -1.30 0.00 0.00 177.93 176.92 3ag3 h SER 104 N 0.80 0.58 0.52 3.26 0.02 -1.10 -3.26 113.55 114.36 3ag3 h SER 104 Ca 0.20 -0.54 -0.29 0.00 -0.84 0.00 0.00 61.79 60.32 3ag3 h SER 104 Cb 0.12 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 3ag3 h SER 104 CO -0.03 1.37 -1.64 0.77 -1.14 0.00 0.00 176.83 176.17 3ag3 h SER 105 N 0.18 0.06 1.37 3.07 4.64 -1.19 -3.24 113.55 118.44 3ag3 h SER 105 Ca -0.13 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ag3 h SER 105 Cb 1.82 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3ag3 h SER 105 CO 0.20 1.10 0.00 -0.07 -0.87 0.00 0.00 176.83 177.19 3ag3 h LEU 106 N 0.01 0.00 -5.98 5.97 3.38 -1.09 -3.36 115.31 114.23 3ag3 h LEU 106 Ca -0.26 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.17 3ag3 h LEU 106 Cb 1.99 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.34 3ag3 h LEU 106 CO 0.09 0.00 -1.07 0.00 0.09 0.00 0.00 178.44 177.55 3ag3 n ALA 107 N -1.93 2.56 -1.80 1.53 0.00 -1.23 -5.10 120.51 114.53 3ag3 n ALA 107 Ca 0.03 -3.59 -0.41 0.00 0.00 0.00 0.00 53.44 49.47 3ag3 n ALA 107 Cb 0.39 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 3ag3 n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ag3 s PRO 108 N -1.80 4.19 0.76 0.00 0.04 -1.22 -4.87 135.00 132.09 3ag3 s PRO 108 Ca 0.38 2.46 -0.10 0.00 0.04 0.00 0.00 61.00 63.78 3ag3 s PRO 108 Cb 0.23 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.79 3ag3 s PRO 108 CO -0.09 -0.51 1.10 0.95 0.04 0.00 0.00 177.00 178.49 3ag3 s THR 109 N -0.28 2.25 0.54 1.26 -4.23 -1.26 -4.42 115.64 109.50 3ag3 s THR 109 Ca 0.59 -0.07 0.21 0.00 -1.18 0.00 0.00 61.69 61.24 3ag3 s THR 109 Cb -0.45 -3.05 0.31 0.00 1.34 0.00 0.00 72.50 70.65 3ag3 s THR 109 CO 0.49 -0.06 2.16 -0.65 -0.54 0.00 0.00 174.62 176.03 3ag3 h PRO 110 N -0.83 0.00 0.00 3.99 0.11 -1.93 -0.19 132.00 133.14 3ag3 h PRO 110 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3ag3 h PRO 110 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3ag3 h PRO 110 CO 0.64 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.31 3ag3 h GLU 111 N 0.00 0.00 0.00 1.05 3.07 -2.01 0.20 114.58 116.89 3ag3 h GLU 111 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3ag3 h GLU 111 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3ag3 h GLU 111 CO -0.00 0.05 -0.36 1.28 -1.40 0.00 0.00 179.01 178.58 3ag3 n LEU 112 N -3.55 0.64 0.00 1.33 4.77 -0.39 -4.88 117.00 114.91 3ag3 n LEU 112 Ca -0.02 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3ag3 n LEU 112 Cb 0.16 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3ag3 n LEU 112 CO 0.27 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3ag3 n GLY 113 N 1.37 0.75 2.35 -0.72 0.00 0.06 -1.13 105.19 107.87 3ag3 n GLY 113 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3ag3 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 114 N -2.02 0.93 3.13 -0.02 0.00 -0.22 -4.95 105.19 102.04 3ag3 n GLY 114 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3ag3 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 s TRP 116 N -3.97 1.11 0.65 0.00 -0.11 -1.26 -3.46 118.94 111.91 3ag3 s TRP 116 Ca 0.17 -0.29 -0.17 0.00 1.22 0.00 0.00 56.10 57.02 3ag3 s TRP 116 Cb 0.08 -0.78 -0.00 0.00 -1.50 0.00 0.00 33.47 31.26 3ag3 s TRP 116 CO -0.03 -0.12 1.23 -2.14 -4.62 0.00 0.00 176.95 171.27 3ag3 s PRO 117 N 0.18 2.58 0.83 5.86 0.02 -1.26 -5.01 135.00 138.20 3ag3 s PRO 117 Ca -0.04 1.86 -0.14 0.00 0.02 0.00 0.00 61.00 62.70 3ag3 s PRO 117 Cb -0.09 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.56 3ag3 s PRO 117 CO 0.01 -1.52 0.60 -2.30 -0.33 0.00 0.00 177.00 173.46 3ag3 n PRO 118 N -2.06 0.05 -1.73 5.54 -0.02 -1.22 -4.88 135.00 130.68 3ag3 n PRO 118 Ca 0.14 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3ag3 n PRO 118 Cb 0.49 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 3ag3 n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ag3 n THR 119 N -3.03 1.27 -0.18 3.45 -1.04 -0.29 -2.06 114.28 112.40 3ag3 n THR 119 Ca 0.09 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3ag3 n THR 119 Cb 0.51 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 3ag3 n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ag3 n GLY 120 N 1.74 1.30 3.70 3.41 0.00 -1.26 -4.98 105.19 109.10 3ag3 n GLY 120 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3ag3 n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag3 s ILE 121 N -2.71 5.37 -0.48 -0.61 -1.09 -0.88 -5.05 121.20 115.75 3ag3 s ILE 121 Ca 0.00 0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.64 3ag3 s ILE 121 Cb 0.00 -3.51 0.13 0.00 -1.58 0.00 0.00 42.46 37.50 3ag3 s ILE 121 CO 0.00 0.40 0.29 -1.00 -1.23 0.00 0.00 174.94 173.39 3ag3 s HIS 122 N 0.64 3.52 0.77 3.97 3.76 -1.26 -4.80 115.29 121.90 3ag3 s HIS 122 Ca 0.09 -2.50 -0.14 0.00 -0.15 0.00 0.00 55.06 52.37 3ag3 s HIS 122 Cb -0.12 -3.23 0.06 0.00 1.11 0.00 0.00 32.58 30.40 3ag3 s HIS 122 CO 0.01 -0.93 1.18 -2.14 -0.85 0.00 0.00 174.74 172.01 3ag3 s PRO 123 N 0.75 1.91 0.73 8.40 0.02 -1.26 -4.82 135.00 140.73 3ag3 s PRO 123 Ca 0.11 1.66 -0.15 0.00 0.02 0.00 0.00 61.00 62.64 3ag3 s PRO 123 Cb -0.22 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.52 3ag3 s PRO 123 CO -0.04 -1.99 1.21 -0.51 -0.33 0.00 0.00 177.00 175.34 3ag3 s LEU 124 N -5.53 3.32 -0.27 -5.54 1.43 -1.26 -4.97 118.68 105.86 3ag3 s LEU 124 Ca 0.71 2.35 -0.29 0.00 -1.03 0.00 0.00 54.13 55.87 3ag3 s LEU 124 Cb -0.27 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.38 3ag3 s LEU 124 CO 0.49 -2.24 1.07 0.21 0.23 0.00 0.00 176.35 176.11 3ag3 s ASN 125 N -2.03 7.00 0.10 2.29 3.84 -1.26 -4.90 114.94 119.97 3ag3 s ASN 125 Ca 0.74 1.22 0.13 0.00 0.21 0.00 0.00 52.86 55.17 3ag3 s ASN 125 Cb -0.29 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.46 3ag3 s ASN 125 CO 0.45 -0.79 1.40 -0.81 -2.79 0.00 0.00 177.10 174.57 3ag3 n PRO 126 N 6.62 0.06 -0.09 0.43 -0.04 -1.26 -1.15 135.00 139.58 3ag3 n PRO 126 Ca 0.12 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3ag3 n PRO 126 Cb 0.47 -1.64 0.32 0.00 -0.04 0.00 0.00 33.50 32.61 3ag3 n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ag3 n LEU 127 N -1.75 2.25 0.00 1.53 7.99 -1.26 -1.71 117.00 124.04 3ag3 n LEU 127 Ca 0.01 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 55.11 3ag3 n LEU 127 Cb 0.11 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3ag3 n LEU 127 CO 0.10 0.45 0.00 -0.62 -1.51 0.00 0.00 177.39 175.81 3ag3 n GLU 128 N 0.72 0.00 -0.31 3.23 1.02 -0.30 -4.64 120.64 120.35 3ag3 n GLU 128 Ca 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 3ag3 n GLU 128 Cb 0.43 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.99 3ag3 n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ag3 h VAL 129 N 0.00 1.24 -0.88 2.62 2.07 -1.86 -2.03 116.25 117.42 3ag3 h VAL 129 Ca 0.00 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.07 3ag3 h VAL 129 Cb 0.00 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.70 3ag3 h VAL 129 CO 0.00 0.25 0.57 -0.65 0.02 0.00 0.00 177.57 177.76 3ag3 h PRO 130 N 1.22 0.89 -0.41 1.57 0.11 -1.78 0.24 132.00 133.84 3ag3 h PRO 130 Ca 0.32 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 3ag3 h PRO 130 Cb -0.06 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3ag3 h PRO 130 CO -0.06 0.59 -0.02 1.25 -0.21 0.00 0.00 178.00 179.55 3ag3 h LEU 131 N 0.92 0.73 -0.11 2.35 5.85 -0.64 -1.89 115.31 122.52 3ag3 h LEU 131 Ca 0.39 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3ag3 h LEU 131 Cb 0.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3ag3 h LEU 131 CO -0.16 0.87 -0.07 0.25 -0.34 0.00 0.00 178.44 178.99 3ag3 h LEU 132 N 0.57 -0.21 -1.52 2.25 5.85 -0.73 -0.59 115.31 120.92 3ag3 h LEU 132 Ca 0.11 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3ag3 h LEU 132 Cb 0.50 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3ag3 h LEU 132 CO 0.02 -0.09 0.46 0.78 -0.34 0.00 0.00 178.44 179.27 3ag3 h ASN 133 N -0.07 0.48 -0.06 1.25 2.35 -0.50 -0.26 115.58 118.78 3ag3 h ASN 133 Ca 0.06 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3ag3 h ASN 133 Cb 0.16 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3ag3 h ASN 133 CO -0.15 0.28 0.02 0.74 -1.65 0.00 0.00 177.43 176.68 3ag3 h THR 134 N 0.53 1.13 -0.87 2.81 2.02 -0.49 -1.59 112.91 116.45 3ag3 h THR 134 Ca 0.32 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3ag3 h THR 134 Cb 0.53 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 3ag3 h THR 134 CO -0.10 0.11 0.57 0.77 0.37 0.00 0.00 175.52 177.23 3ag3 h SER 135 N -0.05 0.94 -0.12 4.18 4.64 -0.48 -0.97 113.55 121.69 3ag3 h SER 135 Ca 0.02 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3ag3 h SER 135 Cb 0.15 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3ag3 h SER 135 CO -0.00 0.65 -0.02 0.58 -0.87 0.00 0.00 176.83 177.16 3ag3 h VAL 136 N 1.09 1.29 -0.32 0.95 2.07 -0.81 -0.06 116.25 120.46 3ag3 h VAL 136 Ca 0.34 -0.94 -0.17 0.00 0.82 0.00 0.00 66.70 66.75 3ag3 h VAL 136 Cb 0.02 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3ag3 h VAL 136 CO -0.10 0.27 -0.46 -0.07 0.02 0.00 0.00 177.57 177.23 3ag3 h LEU 137 N -0.09 0.95 -0.47 2.57 3.38 -1.10 -1.34 115.31 119.21 3ag3 h LEU 137 Ca 0.03 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.52 3ag3 h LEU 137 Cb 0.43 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ag3 h LEU 137 CO 0.01 1.27 0.28 -0.07 0.09 0.00 0.00 178.44 180.02 3ag3 h LEU 138 N 0.65 0.44 -0.72 1.67 3.38 -1.16 -1.63 115.31 117.95 3ag3 h LEU 138 Ca 0.03 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.15 3ag3 h LEU 138 Cb 1.06 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 3ag3 h LEU 138 CO 0.11 0.31 0.25 0.00 0.09 0.00 0.00 178.44 179.20 3ag3 h ALA 139 N 1.21 0.98 0.00 1.53 0.00 -0.83 -1.25 119.26 120.91 3ag3 h ALA 139 Ca 0.19 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3ag3 h ALA 139 Cb 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ag3 h ALA 139 CO -0.09 -0.25 -0.20 0.66 0.00 0.00 0.00 179.25 179.37 3ag3 h SER 140 N 0.38 0.00 0.27 0.00 4.64 -0.64 -0.20 113.55 118.01 3ag3 h SER 140 Ca 0.40 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.60 3ag3 h SER 140 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3ag3 h SER 140 CO -0.42 0.20 -0.47 1.23 -0.87 0.00 0.00 176.83 176.50 3ag3 h GLY 141 N 2.10 0.26 0.44 -0.77 0.00 -0.31 -2.04 103.07 102.75 3ag3 h GLY 141 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3ag3 h GLY 141 CO 0.03 0.24 -0.14 -2.08 0.00 0.00 0.00 176.54 174.58 3ag3 h VAL 142 N 0.19 1.52 -0.12 4.60 2.07 -0.76 -2.93 116.25 120.82 3ag3 h VAL 142 Ca 0.01 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 3ag3 h VAL 142 Cb 0.90 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 3ag3 h VAL 142 CO 0.07 0.47 -0.03 0.77 0.02 0.00 0.00 177.57 178.87 3ag3 h SER 143 N -0.50 0.16 0.86 0.57 4.64 -1.08 -1.14 113.55 117.05 3ag3 h SER 143 Ca -0.01 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 3ag3 h SER 143 Cb 0.83 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3ag3 h SER 143 CO 0.03 0.22 -0.51 -0.29 -0.87 0.00 0.00 176.83 175.40 3ag3 h ILE 144 N 0.17 1.12 -0.25 0.95 2.10 -1.44 0.12 117.51 120.27 3ag3 h ILE 144 Ca 0.04 -1.93 -0.16 0.00 1.08 0.00 0.00 64.86 63.89 3ag3 h ILE 144 Cb 0.17 2.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3ag3 h ILE 144 CO 0.01 0.50 -0.48 0.74 -1.08 0.00 0.00 178.15 177.84 3ag3 h THR 145 N 0.00 1.29 -0.24 2.19 2.02 -1.20 0.08 112.91 117.05 3ag3 h THR 145 Ca -0.01 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.54 3ag3 h THR 145 Cb 1.08 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 69.16 3ag3 h THR 145 CO 0.07 0.54 -0.03 -0.25 0.37 0.00 0.00 175.52 176.22 3ag3 h TRP 146 N 0.52 -0.06 -0.50 3.16 7.01 -0.65 -1.55 115.95 123.87 3ag3 h TRP 146 Ca 0.01 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.13 3ag3 h TRP 146 Cb 1.08 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 28.12 3ag3 h TRP 146 CO 0.08 -0.07 0.00 0.00 -2.79 0.00 0.00 178.44 175.67 3ag3 h ALA 147 N 1.22 0.48 -0.41 2.65 0.00 -0.41 -0.90 119.26 121.89 3ag3 h ALA 147 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ag3 h ALA 147 Cb 0.16 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ag3 h ALA 147 CO -0.22 -0.38 0.26 1.25 0.00 0.00 0.00 179.25 180.16 3ag3 h HIS 148 N 0.12 0.52 -0.62 0.00 -0.00 -0.73 -1.36 115.15 113.08 3ag3 h HIS 148 Ca 0.26 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.57 3ag3 h HIS 148 Cb 0.38 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 3ag3 h HIS 148 CO -0.31 0.35 0.14 0.45 -0.00 0.00 0.00 177.93 178.56 3ag3 h HIS 149 N 0.55 1.02 -0.73 5.26 -0.00 -1.03 -1.69 115.15 118.54 3ag3 h HIS 149 Ca 0.15 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3ag3 h HIS 149 Cb -0.04 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.04 3ag3 h HIS 149 CO -0.04 0.84 0.43 0.77 -0.00 0.00 0.00 177.93 179.93 3ag3 h SER 150 N 0.93 0.88 -0.24 2.45 0.02 -0.99 -0.69 113.55 115.91 3ag3 h SER 150 Ca 0.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3ag3 h SER 150 Cb 0.34 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3ag3 h SER 150 CO 0.00 0.69 0.12 0.25 -1.14 0.00 0.00 176.83 176.75 3ag3 h LEU 151 N 0.99 0.31 -2.15 5.07 5.85 -0.97 0.06 115.31 124.47 3ag3 h LEU 151 Ca 0.26 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ag3 h LEU 151 Cb -0.02 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3ag3 h LEU 151 CO -0.05 0.33 -0.06 0.24 -0.34 0.00 0.00 178.44 178.57 3ag3 h MET 152 N 0.26 0.00 -0.09 1.25 2.86 -1.05 -1.51 114.93 116.65 3ag3 h MET 152 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3ag3 h MET 152 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3ag3 h MET 152 CO -0.01 0.06 0.00 0.39 1.06 0.00 0.00 176.91 178.41 3ag3 n GLU 153 N -3.92 2.00 -0.98 1.72 1.02 -0.29 -4.84 120.64 115.35 3ag3 n GLU 153 Ca -0.03 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 3ag3 n GLU 153 Cb 0.15 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3ag3 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ag3 n GLY 154 N 1.27 0.40 3.37 0.62 0.00 -0.57 -5.01 105.19 105.26 3ag3 n GLY 154 Ca 0.17 -1.07 -0.45 0.00 0.00 0.00 0.00 46.02 44.67 3ag3 n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag3 s ASP 155 N -2.97 6.19 0.07 1.61 -1.08 -0.08 -4.94 116.67 115.46 3ag3 s ASP 155 Ca 0.00 -1.50 -0.21 0.00 -0.52 0.00 0.00 52.55 50.32 3ag3 s ASP 155 Cb 0.00 -2.29 -0.12 0.00 -1.46 0.00 0.00 42.92 39.05 3ag3 s ASP 155 CO 0.00 -1.08 1.52 -0.09 0.52 0.00 0.00 175.17 176.04 3ag3 h ARG 156 N 9.13 0.27 -0.31 4.34 2.43 -1.95 -1.72 114.38 126.58 3ag3 h ARG 156 Ca -0.29 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.67 3ag3 h ARG 156 Cb 1.09 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3ag3 h ARG 156 CO 1.09 0.46 -0.33 -0.22 -1.51 0.00 0.00 179.97 179.46 3ag3 h LYS 157 N 0.04 0.76 -0.00 0.20 3.64 -1.97 -2.20 116.57 117.04 3ag3 h LYS 157 Ca 0.05 -0.41 -0.17 0.00 -1.27 0.00 0.00 60.65 58.84 3ag3 h LYS 157 Cb 0.33 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3ag3 h LYS 157 CO 0.00 1.04 -0.78 0.45 -2.27 0.00 0.00 179.45 177.89 3ag3 h HIS 158 N 0.53 0.10 -0.37 1.91 3.86 -1.96 -0.88 115.15 118.33 3ag3 h HIS 158 Ca 0.05 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3ag3 h HIS 158 Cb 0.91 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 3ag3 h HIS 158 CO 0.07 0.82 0.17 1.98 0.86 0.00 0.00 177.93 181.83 3ag3 h MET 159 N 0.04 0.35 -0.43 2.45 1.85 -1.14 -0.97 114.93 117.08 3ag3 h MET 159 Ca -0.02 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 3ag3 h MET 159 Cb 1.37 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 33.30 3ag3 h MET 159 CO 0.11 0.23 0.20 -0.07 -0.40 0.00 0.00 176.91 176.98 3ag3 h LEU 160 N 0.36 0.57 -0.60 3.39 3.38 -1.24 0.02 115.31 121.19 3ag3 h LEU 160 Ca 0.16 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3ag3 h LEU 160 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ag3 h LEU 160 CO -0.12 0.55 -0.04 -0.61 0.09 0.00 0.00 178.44 178.31 3ag3 h GLN 161 N 0.55 1.07 -0.37 1.13 4.15 -1.02 -0.44 115.11 120.19 3ag3 h GLN 161 Ca 0.15 -0.36 -0.15 0.00 0.77 0.00 0.00 58.65 59.06 3ag3 h GLN 161 Cb 0.13 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3ag3 h GLN 161 CO -0.02 1.06 -0.36 0.00 -1.93 0.00 0.00 178.83 177.59 3ag3 h ALA 162 N 0.98 0.65 -0.40 3.38 0.00 -0.96 -1.41 119.26 121.49 3ag3 h ALA 162 Ca 0.16 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3ag3 h ALA 162 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ag3 h ALA 162 CO 0.04 0.67 -0.24 1.25 0.00 0.00 0.00 179.25 180.97 3ag3 h LEU 163 N 0.72 0.91 -0.31 0.00 5.85 -0.94 -0.35 115.31 121.18 3ag3 h LEU 163 Ca 0.07 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3ag3 h LEU 163 Cb 0.93 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3ag3 h LEU 163 CO 0.09 1.13 -0.02 0.15 -0.34 0.00 0.00 178.44 179.45 3ag3 h PHE 164 N 0.69 -0.06 -0.71 1.25 3.57 -0.94 -0.68 116.94 120.06 3ag3 h PHE 164 Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3ag3 h PHE 164 Cb 0.81 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3ag3 h PHE 164 CO 0.06 -0.08 0.43 0.82 -2.23 0.00 0.00 178.31 177.31 3ag3 h ILE 165 N 0.07 1.05 -0.36 1.41 2.04 -1.08 0.24 117.51 120.88 3ag3 h ILE 165 Ca 0.15 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3ag3 h ILE 165 Cb 0.21 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3ag3 h ILE 165 CO -0.27 0.15 0.18 0.74 0.00 0.00 0.00 178.15 178.95 3ag3 h THR 166 N 0.82 1.16 -0.23 -0.27 2.02 -0.37 -0.54 112.91 115.49 3ag3 h THR 166 Ca 0.30 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3ag3 h THR 166 Cb 0.09 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3ag3 h THR 166 CO -0.14 0.16 0.14 0.40 0.37 0.00 0.00 175.52 176.45 3ag3 h ILE 167 N 0.44 1.03 -0.92 3.11 2.04 -0.91 -1.86 117.51 120.45 3ag3 h ILE 167 Ca 0.12 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.99 3ag3 h ILE 167 Cb 0.10 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 3ag3 h ILE 167 CO -0.02 0.05 0.59 0.74 0.00 0.00 0.00 178.15 179.51 3ag3 h THR 168 N 0.29 0.94 -0.55 -0.27 2.02 -0.24 0.19 112.91 115.29 3ag3 h THR 168 Ca 0.09 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 3ag3 h THR 168 Cb -0.01 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 3ag3 h THR 168 CO -0.04 0.16 0.03 -0.07 0.37 0.00 0.00 175.52 175.98 3ag3 h LEU 169 N 0.89 0.92 -0.30 2.58 3.38 -0.78 0.39 115.31 122.39 3ag3 h LEU 169 Ca 0.44 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ag3 h LEU 169 Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ag3 h LEU 169 CO -0.20 0.99 0.19 1.23 0.09 0.00 0.00 178.44 180.74 3ag3 h GLY 170 N 0.83 0.43 0.97 0.83 0.00 -0.63 0.20 103.07 105.70 3ag3 h GLY 170 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3ag3 h GLY 170 CO 0.02 0.17 0.25 -2.08 0.00 0.00 0.00 176.54 174.90 3ag3 h VAL 171 N 0.40 1.17 -0.82 4.60 2.07 -0.47 -1.08 116.25 122.12 3ag3 h VAL 171 Ca 0.11 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3ag3 h VAL 171 Cb -0.02 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3ag3 h VAL 171 CO -0.02 0.18 0.51 0.22 0.02 0.00 0.00 177.57 178.48 3ag3 h TYR 172 N 0.61 0.94 -0.33 1.57 3.20 -0.65 -1.16 116.97 121.16 3ag3 h TYR 172 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3ag3 h TYR 172 Cb 0.07 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 3ag3 h TYR 172 CO -0.02 0.49 0.19 0.35 -1.64 0.00 0.00 178.16 177.54 3ag3 h PHE 173 N 0.94 0.43 -0.57 -3.82 3.57 -0.56 0.93 116.94 117.86 3ag3 h PHE 173 Ca 0.35 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3ag3 h PHE 173 Cb 0.13 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3ag3 h PHE 173 CO -0.04 0.32 0.28 1.15 -2.23 0.00 0.00 178.31 177.80 3ag3 h THR 174 N 0.42 0.92 -0.56 4.41 2.02 -0.71 0.27 112.91 119.68 3ag3 h THR 174 Ca 0.12 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 3ag3 h THR 174 Cb 0.02 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3ag3 h THR 174 CO -0.02 0.10 -0.10 -0.07 0.37 0.00 0.00 175.52 175.80 3ag3 h LEU 175 N 0.53 1.05 -0.42 2.58 3.38 -0.99 0.14 115.31 121.57 3ag3 h LEU 175 Ca 0.26 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3ag3 h LEU 175 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3ag3 h LEU 175 CO -0.20 1.15 0.22 -0.07 0.09 0.00 0.00 178.44 179.63 3ag3 h LEU 176 N 0.93 0.34 -0.52 1.67 3.38 -0.47 -1.04 115.31 119.61 3ag3 h LEU 176 Ca 0.15 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 3ag3 h LEU 176 Cb 0.67 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ag3 h LEU 176 CO 0.05 0.24 -0.43 -0.61 0.09 0.00 0.00 178.44 177.78 3ag3 h GLN 177 N 0.45 0.73 -0.48 1.13 5.75 -0.67 0.95 115.11 122.97 3ag3 h GLN 177 Ca 0.18 -0.39 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3ag3 h GLN 177 Cb 0.06 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3ag3 h GLN 177 CO -0.11 1.01 0.29 0.00 -2.65 0.00 0.00 178.83 177.37 3ag3 h ALA 178 N 0.93 0.62 -0.63 3.38 0.00 -0.83 0.50 119.26 123.23 3ag3 h ALA 178 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ag3 h ALA 178 Cb 0.98 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3ag3 h ALA 178 CO 0.09 0.10 0.33 1.03 0.00 0.00 0.00 179.25 180.80 3ag3 h SER 179 N 0.65 0.80 -0.82 0.00 0.87 -0.95 -1.87 113.55 112.23 3ag3 h SER 179 Ca 0.17 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3ag3 h SER 179 Cb -0.01 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 3ag3 h SER 179 CO -0.03 0.68 0.47 -0.33 -0.53 0.00 0.00 176.83 177.09 3ag3 h GLU 180 N 0.86 1.14 -0.23 2.24 4.39 -0.25 -0.43 114.58 122.30 3ag3 h GLU 180 Ca 0.22 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 3ag3 h GLU 180 Cb 0.08 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3ag3 h GLU 180 CO -0.03 0.82 0.13 1.88 -1.16 0.00 0.00 179.01 180.65 3ag3 h TYR 181 N 1.14 0.30 -0.79 4.33 -1.99 -0.73 0.20 116.97 119.43 3ag3 h TYR 181 Ca 0.29 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.02 3ag3 h TYR 181 Cb -0.00 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 3ag3 h TYR 181 CO 0.00 0.25 0.51 -0.92 -0.00 0.00 0.00 178.16 177.99 3ag3 h TYR 182 N 0.27 1.01 0.00 4.88 5.03 -0.93 -2.78 116.97 124.45 3ag3 h TYR 182 Ca 0.08 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 3ag3 h TYR 182 Cb 0.03 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 37.97 3ag3 h TYR 182 CO -0.04 0.66 -0.06 0.93 -1.32 0.00 0.00 178.16 178.32 3ag3 h GLU 183 N 1.08 0.00 -6.75 1.82 4.39 -0.79 -3.46 114.58 110.87 3ag3 h GLU 183 Ca 0.29 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.44 3ag3 h GLU 183 Cb -0.09 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.64 3ag3 h GLU 183 CO -0.06 0.06 0.83 0.00 -1.16 0.00 0.00 179.01 178.68 3ag3 n ALA 184 N -2.12 2.28 0.82 3.43 0.00 0.68 -4.89 120.51 120.72 3ag3 n ALA 184 Ca 0.03 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.98 3ag3 n ALA 184 Cb 0.51 -2.43 0.52 0.00 0.00 0.00 0.00 19.45 18.05 3ag3 n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ag3 n PRO 185 N 2.18 0.08 -4.11 0.00 -0.04 -1.26 -4.77 135.00 127.08 3ag3 n PRO 185 Ca 0.09 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 3ag3 n PRO 185 Cb 0.36 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 3ag3 n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag3 s PHE 186 N -3.04 2.91 0.40 0.54 -0.12 -1.26 -5.04 117.98 112.37 3ag3 s PHE 186 Ca 0.12 -0.21 0.04 0.00 -0.05 0.00 0.00 56.93 56.84 3ag3 s PHE 186 Cb 0.16 -1.44 -0.02 0.00 -0.63 0.00 0.00 43.02 41.09 3ag3 s PHE 186 CO 0.52 0.47 0.16 0.25 -0.05 0.00 0.00 175.22 176.57 3ag3 n THR 187 N -1.13 0.00 0.27 -4.49 -2.24 -1.26 -5.01 114.28 100.42 3ag3 n THR 187 Ca -0.06 -2.38 0.15 0.00 -2.27 0.00 0.00 64.05 59.49 3ag3 n THR 187 Cb 0.59 0.88 0.72 0.00 -2.10 0.00 0.00 70.33 70.42 3ag3 n THR 187 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3ag3 h ILE 188 N 1.71 0.28 -0.18 2.28 2.10 -1.95 -0.97 117.51 120.78 3ag3 h ILE 188 Ca -0.31 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.04 3ag3 h ILE 188 Cb 1.21 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.40 3ag3 h ILE 188 CO 0.49 0.08 0.00 -1.54 -1.08 0.00 0.00 178.15 176.10 3ag3 n SER 189 N -3.31 1.76 -3.44 2.19 3.41 -1.26 -3.50 113.62 109.47 3ag3 n SER 189 Ca -0.01 -1.74 -0.40 0.00 -0.26 0.00 0.00 58.87 56.47 3ag3 n SER 189 Cb 0.28 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 3ag3 n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ag3 n ASP 190 N 0.39 7.90 -0.05 4.04 8.00 -0.37 -4.94 116.55 131.52 3ag3 n ASP 190 Ca 0.16 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.82 3ag3 n ASP 190 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 3ag3 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ag3 n GLY 191 N 2.85 0.22 0.22 0.44 0.00 -1.26 -2.16 105.19 105.50 3ag3 n GLY 191 Ca 0.68 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.88 3ag3 n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ag3 h VAL 192 N 0.00 0.00 0.30 1.61 3.04 -1.92 0.06 116.25 119.34 3ag3 h VAL 192 Ca 0.00 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 3ag3 h VAL 192 Cb 0.00 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3ag3 h VAL 192 CO 0.00 0.00 -0.15 0.22 -1.01 0.00 0.00 177.57 176.63 3ag3 h TYR 193 N 0.00 -0.38 -0.50 3.17 3.20 -1.96 -0.70 116.97 119.81 3ag3 h TYR 193 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3ag3 h TYR 193 Cb 0.71 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3ag3 h TYR 193 CO 0.00 -0.16 0.01 0.78 -1.64 0.00 0.00 178.16 177.15 3ag3 h GLY 194 N -0.52 0.88 0.72 1.82 0.00 -1.06 -1.65 103.07 103.26 3ag3 h GLY 194 Ca -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3ag3 h GLY 194 CO 0.07 0.54 -0.11 1.76 0.00 0.00 0.00 176.54 178.80 3ag3 h SER 195 N 0.77 -0.27 -0.62 0.19 0.02 -0.88 -0.22 113.55 112.55 3ag3 h SER 195 Ca 0.15 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3ag3 h SER 195 Cb 0.45 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 3ag3 h SER 195 CO 0.02 0.04 0.15 0.71 -1.14 0.00 0.00 176.83 176.62 3ag3 h THR 196 N -0.60 1.25 0.18 -2.27 1.35 -1.14 -0.82 112.91 110.86 3ag3 h THR 196 Ca -0.03 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 3ag3 h THR 196 Cb 0.44 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3ag3 h THR 196 CO 0.05 0.34 -0.09 0.15 -0.25 0.00 0.00 175.52 175.73 3ag3 h PHE 197 N 0.90 -0.23 0.08 4.73 3.57 -1.23 -1.77 116.94 122.99 3ag3 h PHE 197 Ca 0.19 -0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.44 3ag3 h PHE 197 Cb 0.35 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3ag3 h PHE 197 CO 0.03 0.07 -1.11 0.74 -2.23 0.00 0.00 178.31 175.81 3ag3 h PHE 198 N -0.52 0.51 -0.20 0.41 -1.00 -1.02 -1.65 116.94 113.46 3ag3 h PHE 198 Ca -0.02 -0.33 -0.10 0.00 2.81 0.00 0.00 57.97 60.33 3ag3 h PHE 198 Cb 0.40 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 3ag3 h PHE 198 CO 0.02 1.21 -0.25 0.28 -1.61 0.00 0.00 178.31 177.95 3ag3 h VAL 199 N 0.13 1.33 -0.11 -0.55 2.07 -1.19 0.38 116.25 118.31 3ag3 h VAL 199 Ca -0.11 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 3ag3 h VAL 199 Cb 1.80 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3ag3 h VAL 199 CO 0.18 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 178.16 3ag3 h ALA 200 N 0.63 0.15 0.00 1.67 0.00 -1.35 -1.04 119.26 119.32 3ag3 h ALA 200 Ca 0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3ag3 h ALA 200 Cb 0.82 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ag3 h ALA 200 CO 0.06 -0.07 -0.42 1.79 0.00 0.00 0.00 179.25 180.62 3ag3 h THR 201 N -0.13 1.03 -0.14 0.00 1.35 -1.38 -1.64 112.91 112.00 3ag3 h THR 201 Ca 0.02 -1.58 -0.07 0.00 -0.55 0.00 0.00 66.41 64.24 3ag3 h THR 201 Cb 0.51 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3ag3 h THR 201 CO 0.02 0.41 -0.18 1.23 -0.25 0.00 0.00 175.52 176.74 3ag3 h GLY 202 N 1.85 0.41 1.68 5.82 0.00 -0.09 0.37 103.07 113.11 3ag3 h GLY 202 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3ag3 h GLY 202 CO 0.05 0.40 -0.18 0.74 0.00 0.00 0.00 176.54 177.55 3ag3 h PHE 203 N -0.01 0.42 -0.36 5.60 0.04 -1.13 0.02 116.94 121.51 3ag3 h PHE 203 Ca 0.02 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3ag3 h PHE 203 Cb 0.73 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 3ag3 h PHE 203 CO 0.09 0.55 0.14 1.25 -0.60 0.00 0.00 178.31 179.74 3ag3 h HIS 204 N 0.35 0.54 -0.63 -0.55 2.76 -1.00 -2.13 115.15 114.48 3ag3 h HIS 204 Ca 0.06 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 3ag3 h HIS 204 Cb 0.52 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 3ag3 h HIS 204 CO 0.01 0.49 0.38 0.78 -1.30 0.00 0.00 177.93 178.30 3ag3 h GLY 205 N 0.43 0.91 0.46 5.26 0.00 0.30 -0.07 103.07 110.35 3ag3 h GLY 205 Ca 0.12 -0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.28 3ag3 h GLY 205 CO -0.01 0.23 0.53 -2.00 0.00 0.00 0.00 176.54 175.29 3ag3 h LEU 206 N 0.74 0.76 -0.93 3.11 5.85 -0.80 -1.06 115.31 122.97 3ag3 h LEU 206 Ca 0.26 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3ag3 h LEU 206 Cb 0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3ag3 h LEU 206 CO -0.12 0.40 -0.40 0.45 -0.34 0.00 0.00 178.44 178.43 3ag3 h HIS 207 N 0.85 0.00 -0.35 1.25 3.86 -0.56 -0.07 115.15 120.14 3ag3 h HIS 207 Ca 0.45 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.49 3ag3 h HIS 207 Cb 0.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 3ag3 h HIS 207 CO -0.04 0.40 -0.44 0.28 0.86 0.00 0.00 177.93 178.99 3ag3 h VAL 208 N 0.00 1.27 -0.41 2.45 2.07 -0.43 0.14 116.25 121.34 3ag3 h VAL 208 Ca -0.00 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.84 3ag3 h VAL 208 Cb 0.91 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3ag3 h VAL 208 CO 0.05 0.54 0.02 0.40 0.02 0.00 0.00 177.57 178.60 3ag3 h ILE 209 N 0.72 1.26 -0.42 4.57 2.04 -0.57 0.12 117.51 125.23 3ag3 h ILE 209 Ca 0.05 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 3ag3 h ILE 209 Cb 1.04 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3ag3 h ILE 209 CO 0.10 0.33 0.19 0.40 0.00 0.00 0.00 178.15 179.18 3ag3 h ILE 210 N 0.54 1.19 -0.33 -0.67 2.04 -0.94 -0.64 117.51 118.70 3ag3 h ILE 210 Ca 0.12 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3ag3 h ILE 210 Cb 0.45 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3ag3 h ILE 210 CO 0.02 0.21 -0.25 1.23 0.00 0.00 0.00 178.15 179.35 3ag3 h GLY 211 N 0.54 0.70 1.06 5.37 0.00 -0.59 -0.68 103.07 109.47 3ag3 h GLY 211 Ca 0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 3ag3 h GLY 211 CO -0.02 0.54 0.06 1.76 0.00 0.00 0.00 176.54 178.89 3ag3 h SER 212 N 0.56 1.00 -0.68 0.19 0.02 -0.53 -1.17 113.55 112.96 3ag3 h SER 212 Ca 0.08 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 3ag3 h SER 212 Cb 0.72 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3ag3 h SER 212 CO 0.06 1.03 0.27 0.74 -1.14 0.00 0.00 176.83 177.79 3ag3 h THR 213 N 0.94 1.24 -0.65 -2.27 2.02 -0.80 0.95 112.91 114.35 3ag3 h THR 213 Ca 0.18 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 3ag3 h THR 213 Cb 0.48 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3ag3 h THR 213 CO 0.02 0.30 0.17 0.15 0.37 0.00 0.00 175.52 176.53 3ag3 h PHE 214 N 0.96 1.04 -0.03 3.16 3.57 -0.76 0.39 116.94 125.27 3ag3 h PHE 214 Ca 0.23 -0.11 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 3ag3 h PHE 214 Cb 0.20 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3ag3 h PHE 214 CO 0.01 0.85 -0.67 -0.07 -2.23 0.00 0.00 178.31 176.20 3ag3 h LEU 215 N 0.96 0.16 -0.62 0.59 3.38 -0.65 -0.99 115.31 118.14 3ag3 h LEU 215 Ca 0.21 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3ag3 h LEU 215 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ag3 h LEU 215 CO -0.00 0.78 -0.13 0.40 0.09 0.00 0.00 178.44 179.58 3ag3 h ILE 216 N 0.10 1.27 -0.37 1.22 2.04 -0.15 0.27 117.51 121.88 3ag3 h ILE 216 Ca -0.01 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 3ag3 h ILE 216 Cb 1.20 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3ag3 h ILE 216 CO 0.10 0.44 0.22 0.58 0.00 0.00 0.00 178.15 179.49 3ag3 h VAL 217 N 0.85 1.13 -0.91 1.67 2.07 -0.48 -1.16 116.25 119.42 3ag3 h VAL 217 Ca 0.13 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3ag3 h VAL 217 Cb 0.67 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3ag3 h VAL 217 CO 0.05 0.13 0.60 0.00 0.02 0.00 0.00 177.57 178.37 3ag3 h PHE 219 N 1.16 0.16 -0.21 0.00 3.57 0.13 0.82 116.94 122.57 3ag3 h PHE 219 Ca 0.35 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 3ag3 h PHE 219 Cb -0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3ag3 h PHE 219 CO -0.00 0.09 -0.29 0.74 -2.23 0.00 0.00 178.31 176.62 3ag3 h PHE 220 N 0.18 0.47 -0.66 0.41 0.04 -0.90 0.81 116.94 117.29 3ag3 h PHE 220 Ca 0.07 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 3ag3 h PHE 220 Cb 0.01 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3ag3 h PHE 220 CO -0.09 0.67 0.18 0.00 -0.60 0.00 0.00 178.31 178.47 3ag3 h ARG 221 N 0.36 1.03 -0.28 1.51 3.08 -0.89 -2.14 114.38 117.05 3ag3 h ARG 221 Ca 0.05 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 3ag3 h ARG 221 Cb 0.70 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3ag3 h ARG 221 CO 0.05 0.90 -0.32 0.37 -1.07 0.00 0.00 179.97 179.90 3ag3 h GLN 222 N 0.99 0.72 -0.40 0.04 5.75 -0.51 -0.72 115.11 120.97 3ag3 h GLN 222 Ca 0.21 -0.39 0.08 0.00 -0.15 0.00 0.00 58.65 58.41 3ag3 h GLN 222 Cb 0.32 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3ag3 h GLN 222 CO -0.00 1.01 0.28 -0.07 -2.65 0.00 0.00 178.83 177.40 3ag3 h LEU 223 N 0.46 0.15 -1.75 -2.39 3.38 -0.61 0.12 115.31 114.67 3ag3 h LEU 223 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ag3 h LEU 223 Cb 0.90 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3ag3 h LEU 223 CO 0.08 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.99 3ag3 n LYS 224 N -4.46 2.30 -1.90 1.13 5.02 -0.83 -4.94 118.16 114.49 3ag3 n LYS 224 Ca 0.06 -1.49 -0.15 0.00 -2.02 0.00 0.00 58.31 54.70 3ag3 n LYS 224 Cb 0.36 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3ag3 n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ag3 n PHE 225 N 0.54 -0.39 0.05 2.13 3.01 0.40 -4.91 117.46 118.28 3ag3 n PHE 225 Ca 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.55 3ag3 n PHE 225 Cb 0.47 -2.95 0.16 0.00 -0.01 0.00 0.00 39.48 37.15 3ag3 n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ag3 h HIS 226 N 0.00 0.47 -3.70 1.38 3.86 -1.34 -3.44 115.15 112.38 3ag3 h HIS 226 Ca -0.34 -0.13 -0.50 0.00 -1.16 0.00 0.00 60.37 58.24 3ag3 h HIS 226 Cb 1.14 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 3ag3 h HIS 226 CO 0.42 0.76 0.19 -0.06 0.86 0.00 0.00 177.93 180.10 3ag3 s PHE 227 N -4.15 3.64 0.50 2.45 0.08 -1.26 -4.96 117.98 114.28 3ag3 s PHE 227 Ca -0.06 1.52 0.07 0.00 0.12 0.00 0.00 56.93 58.58 3ag3 s PHE 227 Cb 0.13 -2.72 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 3ag3 s PHE 227 CO 0.80 0.27 0.49 0.95 -0.10 0.00 0.00 175.22 177.63 3ag3 s THR 228 N -1.59 2.15 -0.22 0.64 -4.23 -0.80 -4.98 115.64 106.60 3ag3 s THR 228 Ca 0.46 -1.32 0.28 0.00 -1.18 0.00 0.00 61.69 59.94 3ag3 s THR 228 Cb -0.17 -2.46 0.35 0.00 1.34 0.00 0.00 72.50 71.56 3ag3 s THR 228 CO 0.21 0.00 1.82 0.77 -0.54 0.00 0.00 174.62 176.88 3ag3 h SER 229 N 0.71 0.00 0.00 3.99 4.64 -1.90 -3.18 113.55 117.81 3ag3 h SER 229 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ag3 h SER 229 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ag3 h SER 229 CO 0.53 0.00 -0.61 -3.20 -0.87 0.00 0.00 176.83 172.68 3ag3 n ASN 230 N -2.88 0.91 -3.81 4.97 2.85 -1.26 -4.25 115.26 111.78 3ag3 n ASN 230 Ca 0.02 -0.57 -0.29 0.00 -0.11 0.00 0.00 54.58 53.64 3ag3 n ASN 230 Cb 0.37 1.08 -0.16 0.00 1.24 0.00 0.00 39.78 42.31 3ag3 n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3ag3 s HIS 231 N -1.98 1.63 -0.38 1.20 2.46 -1.20 -4.96 115.29 112.05 3ag3 s HIS 231 Ca 0.02 -1.31 0.06 0.00 0.47 0.00 0.00 55.06 54.30 3ag3 s HIS 231 Cb 0.06 -1.33 0.29 0.00 -0.13 0.00 0.00 32.58 31.48 3ag3 s HIS 231 CO 0.36 -0.71 1.25 -2.39 -2.47 0.00 0.00 174.74 170.79 3ag3 n HIS 232 N 4.88 -1.87 0.16 3.88 1.44 -1.26 -1.91 115.22 120.54 3ag3 n HIS 232 Ca -0.09 -1.57 0.03 0.00 -2.01 0.00 0.00 57.72 54.08 3ag3 n HIS 232 Cb 0.45 1.48 0.42 0.00 0.12 0.00 0.00 29.99 32.46 3ag3 n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3ag3 h PHE 233 N 1.91 0.14 -0.10 -1.40 3.04 -1.97 -2.02 116.94 116.53 3ag3 h PHE 233 Ca -0.34 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.53 3ag3 h PHE 233 Cb 1.26 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 3ag3 h PHE 233 CO 0.10 0.31 -0.21 0.78 -2.02 0.00 0.00 178.31 177.27 3ag3 h GLY 234 N 0.73 0.18 0.93 2.40 0.00 -1.99 0.18 103.07 105.50 3ag3 h GLY 234 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 3ag3 h GLY 234 CO 0.03 0.11 -0.54 -2.75 0.00 0.00 0.00 176.54 173.39 3ag3 h PHE 235 N 0.16 0.77 -0.31 5.60 3.57 -1.81 -1.62 116.94 123.31 3ag3 h PHE 235 Ca 0.03 -0.33 0.03 0.00 3.53 0.00 0.00 57.97 61.23 3ag3 h PHE 235 Cb 0.47 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3ag3 h PHE 235 CO 0.01 1.12 0.11 0.93 -2.23 0.00 0.00 178.31 178.25 3ag3 h GLU 236 N 0.20 0.24 -0.48 1.11 5.08 -0.59 -1.00 114.58 119.15 3ag3 h GLU 236 Ca -0.03 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3ag3 h GLU 236 Cb 1.18 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 3ag3 h GLU 236 CO 0.11 0.16 0.22 0.00 -1.00 0.00 0.00 179.01 178.50 3ag3 h ALA 237 N 1.19 0.61 -0.41 3.43 0.00 -0.70 0.38 119.26 123.76 3ag3 h ALA 237 Ca 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ag3 h ALA 237 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ag3 h ALA 237 CO -0.13 -0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.14 3ag3 h ALA 238 N 1.28 1.52 -0.07 0.00 0.00 -1.00 -0.88 119.26 120.11 3ag3 h ALA 238 Ca 0.22 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3ag3 h ALA 238 Cb 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ag3 h ALA 238 CO -0.18 0.37 -0.58 0.00 0.00 0.00 0.00 179.25 178.87 3ag3 h ALA 239 N 1.61 0.16 -0.75 0.00 0.00 -0.65 -0.26 119.26 119.37 3ag3 h ALA 239 Ca 0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3ag3 h ALA 239 Cb 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3ag3 h ALA 239 CO -0.02 0.40 0.35 -1.49 0.00 0.00 0.00 179.25 178.50 3ag3 h TRP 240 N 0.08 1.08 -0.55 0.00 6.55 -0.76 0.20 115.95 122.54 3ag3 h TRP 240 Ca -0.05 -0.05 -0.07 0.00 0.95 0.00 0.00 58.89 59.67 3ag3 h TRP 240 Cb 1.24 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 29.19 3ag3 h TRP 240 CO 0.12 0.79 0.08 -0.92 -1.05 0.00 0.00 178.44 177.46 3ag3 h TYR 241 N 1.07 0.97 -0.55 0.49 3.20 -1.11 -1.10 116.97 119.94 3ag3 h TYR 241 Ca 0.26 -0.14 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 3ag3 h TYR 241 Cb 0.12 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3ag3 h TYR 241 CO 0.01 0.86 -0.11 2.35 -1.64 0.00 0.00 178.16 179.63 3ag3 h TRP 242 N 0.80 1.16 -0.60 -3.82 2.91 -0.62 -0.87 115.95 114.91 3ag3 h TRP 242 Ca 0.17 -0.24 -0.03 0.00 1.13 0.00 0.00 58.89 59.91 3ag3 h TRP 242 Cb 0.42 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.75 3ag3 h TRP 242 CO 0.03 1.07 0.24 0.45 -1.03 0.00 0.00 178.44 179.21 3ag3 h HIS 243 N 0.92 0.88 -0.18 2.65 3.86 -0.72 -1.15 115.15 121.41 3ag3 h HIS 243 Ca 0.14 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 3ag3 h HIS 243 Cb 0.69 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 3ag3 h HIS 243 CO 0.05 0.67 -0.12 0.35 0.86 0.00 0.00 177.93 179.74 3ag3 h PHE 244 N 0.86 -0.30 -0.89 2.45 3.04 -0.78 0.14 116.94 121.46 3ag3 h PHE 244 Ca 0.21 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.21 3ag3 h PHE 244 Cb 0.16 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 3ag3 h PHE 244 CO 0.01 -0.18 0.58 0.28 -2.02 0.00 0.00 178.31 176.98 3ag3 h VAL 245 N -0.12 1.16 -0.41 1.41 2.07 -0.71 -0.94 116.25 118.71 3ag3 h VAL 245 Ca 0.11 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3ag3 h VAL 245 Cb 0.28 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3ag3 h VAL 245 CO -0.26 0.21 0.13 -0.78 0.02 0.00 0.00 177.57 176.89 3ag3 h ASP 246 N 1.14 0.60 -0.41 0.57 3.58 -0.46 -1.77 116.42 119.66 3ag3 h ASP 246 Ca 0.35 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3ag3 h ASP 246 Cb -0.02 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 3ag3 h ASP 246 CO -0.11 0.64 0.22 0.58 -2.88 0.00 0.00 179.24 177.70 3ag3 h VAL 247 N 0.52 1.16 -1.01 2.25 2.07 -0.39 -1.18 116.25 119.67 3ag3 h VAL 247 Ca 0.13 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3ag3 h VAL 247 Cb 0.26 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 3ag3 h VAL 247 CO -0.00 0.17 0.66 0.58 0.02 0.00 0.00 177.57 178.99 3ag3 h VAL 248 N 0.54 1.19 -0.64 2.57 2.07 -1.16 -1.29 116.25 119.53 3ag3 h VAL 248 Ca 0.15 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3ag3 h VAL 248 Cb 0.06 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.59 3ag3 h VAL 248 CO -0.02 0.24 0.30 -0.25 0.02 0.00 0.00 177.57 177.85 3ag3 h TRP 249 N 1.29 0.94 -0.64 1.57 2.91 -0.54 -0.43 115.95 121.05 3ag3 h TRP 249 Ca 0.40 -0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.42 3ag3 h TRP 249 Cb -0.02 -0.29 -0.05 0.00 -0.51 0.00 0.00 29.16 28.29 3ag3 h TRP 249 CO -0.00 0.71 0.36 -0.07 -1.03 0.00 0.00 178.44 178.42 3ag3 h LEU 250 N 0.89 0.55 -0.78 0.65 3.38 -0.42 0.33 115.31 119.92 3ag3 h LEU 250 Ca 0.22 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3ag3 h LEU 250 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3ag3 h LEU 250 CO -0.03 0.36 0.01 -0.26 0.09 0.00 0.00 178.44 178.62 3ag3 h PHE 251 N 0.68 1.01 -0.19 1.13 -1.00 -0.92 -0.96 116.94 116.69 3ag3 h PHE 251 Ca 0.28 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3ag3 h PHE 251 Cb 0.15 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3ag3 h PHE 251 CO -0.08 0.90 0.13 -0.07 -1.61 0.00 0.00 178.31 177.58 3ag3 h LEU 252 N 0.87 0.22 0.39 1.54 3.38 -0.23 -0.60 115.31 120.87 3ag3 h LEU 252 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ag3 h LEU 252 Cb 0.49 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ag3 h LEU 252 CO 0.02 0.17 -0.18 0.22 0.09 0.00 0.00 178.44 178.76 3ag3 h TYR 253 N 0.25 -0.48 -0.83 1.13 3.20 -0.20 0.28 116.97 120.32 3ag3 h TYR 253 Ca 0.07 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3ag3 h TYR 253 Cb -0.02 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 3ag3 h TYR 253 CO -0.06 -0.29 0.52 0.28 -1.64 0.00 0.00 178.16 176.96 3ag3 h VAL 254 N -0.52 1.23 0.04 1.81 2.07 -1.15 -1.35 116.25 118.38 3ag3 h VAL 254 Ca -0.05 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3ag3 h VAL 254 Cb 0.40 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3ag3 h VAL 254 CO 0.09 0.23 -0.02 0.28 0.02 0.00 0.00 177.57 178.17 3ag3 h SER 255 N 1.14 -0.05 0.07 0.57 0.02 -0.94 0.17 113.55 114.53 3ag3 h SER 255 Ca 0.30 -0.42 -0.30 0.00 -0.84 0.00 0.00 61.79 60.53 3ag3 h SER 255 Cb -0.07 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3ag3 h SER 255 CO -0.06 0.64 -1.66 0.40 -1.14 0.00 0.00 176.83 175.01 3ag3 h ILE 256 N -0.98 0.76 0.03 3.27 2.04 -0.58 -0.32 117.51 121.73 3ag3 h ILE 256 Ca -0.01 -2.27 -0.27 0.00 1.00 0.00 0.00 64.86 63.32 3ag3 h ILE 256 Cb 0.46 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3ag3 h ILE 256 CO 0.01 0.63 -1.42 1.88 0.00 0.00 0.00 178.15 179.25 3ag3 h TYR 257 N -0.42 0.10 0.00 1.37 0.05 -1.27 -3.26 116.97 113.54 3ag3 h TYR 257 Ca -0.39 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3ag3 h TYR 257 Cb 1.70 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.44 3ag3 h TYR 257 CO 0.09 1.10 -0.17 1.87 -1.05 0.00 0.00 178.16 180.00 3ag3 n TRP 258 N -3.25 0.00 -0.32 4.88 -0.00 -0.53 -3.97 117.44 114.25 3ag3 n TRP 258 Ca -0.11 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.42 3ag3 n TRP 258 Cb 1.01 -0.08 0.21 0.00 -0.00 0.00 0.00 31.31 32.45 3ag3 n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3ag3 h TRP 259 N -0.17 1.09 -0.11 5.87 7.01 -0.75 -1.57 115.95 127.33 3ag3 h TRP 259 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3ag3 h TRP 259 Cb 0.17 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.87 3ag3 h TRP 259 CO -0.07 0.59 0.00 0.41 -2.79 0.00 0.00 178.44 176.58 3ag3 n GLY 260 N -1.39 -0.48 0.66 2.65 0.00 -0.13 -5.01 105.19 101.49 3ag3 n GLY 260 Ca 0.14 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3ag3 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18