#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s GLN 4 N 0.00 4.29 -0.21 1.57 -2.07 -1.26 -4.97 119.66 117.01 3ag1 s GLN 4 Ca 0.00 1.28 0.12 0.00 -1.82 0.00 0.00 55.36 54.94 3ag1 s GLN 4 Cb 0.00 -2.44 0.41 0.00 -1.09 0.00 0.00 33.01 29.90 3ag1 s GLN 4 CO 0.00 0.01 1.23 0.25 -1.32 0.00 0.00 175.29 175.46 3ag1 n THR 5 N -0.18 2.20 -4.26 3.63 -2.24 -1.26 -5.00 114.28 107.17 3ag1 n THR 5 Ca 0.05 -3.13 -0.28 0.00 -2.27 0.00 0.00 64.05 58.42 3ag1 n THR 5 Cb 0.52 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 3ag1 n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ag1 s HIS 6 N -3.21 2.06 -1.54 4.78 0.00 -1.26 -5.07 115.29 111.06 3ag1 s HIS 6 Ca 0.38 -0.78 0.17 0.00 -3.00 0.00 0.00 55.06 51.83 3ag1 s HIS 6 Cb 0.36 -1.84 0.49 0.00 -4.00 0.00 0.00 32.58 27.60 3ag1 s HIS 6 CO -0.06 -0.01 1.41 0.00 -1.00 0.00 0.00 174.74 175.08 3ag1 n ALA 7 N -1.41 2.29 -2.18 -1.38 0.00 -1.26 -5.00 120.51 111.58 3ag1 n ALA 7 Ca -0.07 -1.22 -0.25 0.00 0.00 0.00 0.00 53.44 51.91 3ag1 n ALA 7 Cb 0.65 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 19.42 3ag1 n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ag1 s TYR 8 N -1.02 3.21 -0.31 0.00 2.02 -1.26 -4.51 117.35 115.47 3ag1 s TYR 8 Ca 0.37 0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 57.37 3ag1 s TYR 8 Cb 0.20 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3ag1 s TYR 8 CO 0.26 -0.63 0.22 -1.58 -1.57 0.00 0.00 175.55 172.24 3ag1 s HIS 9 N -2.79 3.22 -0.40 2.71 5.65 -1.26 -5.05 115.29 117.38 3ag1 s HIS 9 Ca 0.52 -0.06 -0.20 0.00 0.25 0.00 0.00 55.06 55.57 3ag1 s HIS 9 Cb -0.10 -2.43 0.01 0.00 -1.18 0.00 0.00 32.58 28.88 3ag1 s HIS 9 CO 0.41 -0.27 0.58 -1.64 -0.65 0.00 0.00 174.74 173.18 3ag1 s MET 10 N 1.74 3.42 0.05 2.88 -1.94 -1.26 -5.05 119.30 119.14 3ag1 s MET 10 Ca 0.06 -0.28 -0.26 0.00 -1.71 0.00 0.00 55.69 53.50 3ag1 s MET 10 Cb -0.17 -3.89 -0.05 0.00 2.01 0.00 0.00 34.83 32.73 3ag1 s MET 10 CO 0.11 -0.84 0.82 0.08 -0.01 0.00 0.00 175.02 175.18 3ag1 s VAL 11 N 2.61 4.71 0.34 -6.03 1.01 -1.26 -5.02 120.40 116.76 3ag1 s VAL 11 Ca 0.21 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 3ag1 s VAL 11 Cb -0.15 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 3ag1 s VAL 11 CO 0.16 0.33 1.50 0.59 0.00 0.00 0.00 175.10 177.68 3ag1 n ASN 12 N 2.93 3.65 -4.61 3.32 5.03 -1.26 -4.89 115.26 119.44 3ag1 n ASN 12 Ca -0.01 1.20 -0.41 0.00 0.87 0.00 0.00 54.58 56.23 3ag1 n ASN 12 Cb 0.50 -1.59 0.01 0.00 -1.02 0.00 0.00 39.78 37.68 3ag1 n ASN 12 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3ag1 n PRO 13 N 1.04 1.38 -3.92 3.52 -0.02 -1.26 -4.97 135.00 130.77 3ag1 n PRO 13 Ca 0.04 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3ag1 n PRO 13 Cb 0.38 -2.05 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 3ag1 n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ag1 s SER 14 N -0.72 0.12 0.32 2.55 0.15 -1.26 -5.04 113.70 109.81 3ag1 s SER 14 Ca 0.63 -0.06 0.24 0.00 0.70 0.00 0.00 55.95 57.47 3ag1 s SER 14 Cb -0.56 -0.00 0.50 0.00 -1.71 0.00 0.00 66.02 64.25 3ag1 s SER 14 CO 0.57 -0.01 1.62 1.55 1.20 0.00 0.00 173.24 178.17 3ag1 h PRO 15 N 6.01 0.00 -0.79 5.44 0.13 -2.02 -3.39 132.00 137.36 3ag1 h PRO 15 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3ag1 h PRO 15 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3ag1 h PRO 15 CO 0.50 0.00 0.48 -1.49 -0.23 0.00 0.00 178.00 177.26 3ag1 h TRP 16 N 0.00 1.05 -0.52 1.56 -0.00 -1.96 -1.32 115.95 114.76 3ag1 h TRP 16 Ca 0.00 -0.00 0.09 0.00 -0.00 0.00 0.00 58.89 58.97 3ag1 h TRP 16 Cb 0.88 -0.34 -0.07 0.00 -0.00 0.00 0.00 29.16 29.63 3ag1 h TRP 16 CO 0.00 0.71 0.13 -1.35 -0.00 0.00 0.00 178.44 177.93 3ag1 h PRO 17 N 1.09 0.27 -0.33 0.49 0.11 -1.99 0.32 132.00 131.96 3ag1 h PRO 17 Ca 0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 3ag1 h PRO 17 Cb -0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3ag1 h PRO 17 CO -0.05 0.18 0.14 1.25 -0.21 0.00 0.00 178.00 179.31 3ag1 h LEU 18 N 0.28 0.45 -1.16 2.35 5.85 -1.74 0.11 115.31 121.44 3ag1 h LEU 18 Ca 0.26 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3ag1 h LEU 18 Cb 0.35 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3ag1 h LEU 18 CO -0.32 0.47 -0.05 0.71 -0.34 0.00 0.00 178.44 178.91 3ag1 h THR 19 N 0.39 1.21 0.11 1.05 1.35 -0.99 -0.16 112.91 115.88 3ag1 h THR 19 Ca 0.11 -0.89 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 3ag1 h THR 19 Cb 0.16 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3ag1 h THR 19 CO -0.01 0.30 -0.05 1.23 -0.25 0.00 0.00 175.52 176.73 3ag1 h GLY 20 N 0.88 -0.15 0.67 5.82 0.00 -0.18 0.63 103.07 110.73 3ag1 h GLY 20 Ca 0.10 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.54 3ag1 h GLY 20 CO 0.02 -0.06 0.22 0.00 0.00 0.00 0.00 176.54 176.72 3ag1 h ALA 21 N 0.53 0.60 -0.13 3.60 0.00 -0.58 -1.02 119.26 122.25 3ag1 h ALA 21 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ag1 h ALA 21 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ag1 h ALA 21 CO 0.02 -0.15 -0.14 -0.07 0.00 0.00 0.00 179.25 178.92 3ag1 h LEU 22 N 0.43 0.19 -0.00 0.00 3.38 -0.89 -1.96 115.31 116.46 3ag1 h LEU 22 Ca 0.22 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3ag1 h LEU 22 Cb 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ag1 h LEU 22 CO -0.18 0.36 -0.47 0.77 0.09 0.00 0.00 178.44 179.00 3ag1 h SER 23 N 0.20 0.00 -0.32 -0.43 4.64 -0.35 0.01 113.55 117.28 3ag1 h SER 23 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 3ag1 h SER 23 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3ag1 h SER 23 CO 0.02 0.47 -0.03 0.00 -0.87 0.00 0.00 176.83 176.43 3ag1 h ALA 24 N 1.53 1.16 -0.33 5.18 0.00 -0.46 0.03 119.26 126.36 3ag1 h ALA 24 Ca -0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3ag1 h ALA 24 Cb 1.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ag1 h ALA 24 CO 0.06 0.54 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 3ag1 h LEU 25 N 0.65 0.63 -0.89 0.00 5.85 -0.77 -2.36 115.31 118.43 3ag1 h LEU 25 Ca 0.13 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3ag1 h LEU 25 Cb 0.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3ag1 h LEU 25 CO 0.02 0.84 0.07 -0.07 -0.34 0.00 0.00 178.44 178.96 3ag1 h LEU 26 N 0.42 0.85 -0.39 2.25 3.38 -0.79 -1.45 115.31 119.58 3ag1 h LEU 26 Ca 0.09 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 3ag1 h LEU 26 Cb 0.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ag1 h LEU 26 CO 0.03 0.87 -0.75 0.24 0.09 0.00 0.00 178.44 178.92 3ag1 h MET 27 N 0.84 0.38 0.15 1.13 2.86 -0.94 -0.49 114.93 118.85 3ag1 h MET 27 Ca 0.17 -0.32 -0.22 0.00 -2.06 0.00 0.00 59.70 57.27 3ag1 h MET 27 Cb 0.40 0.07 0.03 0.00 0.06 0.00 0.00 31.60 32.16 3ag1 h MET 27 CO 0.01 0.96 -0.96 1.79 1.06 0.00 0.00 176.91 179.77 3ag1 h THR 28 N 0.25 1.44 -0.99 2.22 1.35 -1.27 -1.00 112.91 114.91 3ag1 h THR 28 Ca -0.03 -2.52 0.08 0.00 -0.55 0.00 0.00 66.41 63.39 3ag1 h THR 28 Cb 1.33 3.07 -0.07 0.00 -1.73 0.00 0.00 68.15 70.75 3ag1 h THR 28 CO 0.13 0.73 0.64 0.28 -0.25 0.00 0.00 175.52 177.04 3ag1 h SER 29 N -0.19 1.00 -0.17 5.36 0.02 -1.33 -1.71 113.55 116.53 3ag1 h SER 29 Ca -0.16 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 3ag1 h SER 29 Cb 1.74 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 3ag1 h SER 29 CO 0.18 0.61 -0.07 1.23 -1.14 0.00 0.00 176.83 177.64 3ag1 h GLY 30 N 1.12 0.39 0.05 -3.77 0.00 -1.01 0.25 103.07 100.10 3ag1 h GLY 30 Ca 0.44 -0.34 0.20 0.00 0.00 0.00 0.00 47.33 47.64 3ag1 h GLY 30 CO -0.20 0.31 0.59 1.41 0.00 0.00 0.00 176.54 178.65 3ag1 h LEU 31 N 0.04 0.72 -0.11 3.11 3.38 -1.03 0.06 115.31 121.47 3ag1 h LEU 31 Ca 0.04 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ag1 h LEU 31 Cb 0.54 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ag1 h LEU 31 CO 0.02 0.22 -0.14 0.74 0.09 0.00 0.00 178.44 179.37 3ag1 h THR 32 N 0.69 1.37 -0.77 0.22 2.02 -0.67 -0.34 112.91 115.43 3ag1 h THR 32 Ca 0.59 -1.33 0.06 0.00 0.77 0.00 0.00 66.41 66.50 3ag1 h THR 32 Cb 0.97 1.98 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 3ag1 h THR 32 CO -0.41 0.38 0.45 -0.03 0.37 0.00 0.00 175.52 176.28 3ag1 h MET 33 N -0.12 0.80 -0.07 6.66 -1.53 -0.30 -2.41 114.93 117.96 3ag1 h MET 33 Ca 0.01 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 3ag1 h MET 33 Cb 0.68 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.55 3ag1 h MET 33 CO 0.03 0.53 -0.00 2.35 0.14 0.00 0.00 176.91 179.96 3ag1 h TRP 34 N 0.82 0.13 0.00 1.39 7.01 -0.67 0.20 115.95 124.83 3ag1 h TRP 34 Ca 0.34 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 3ag1 h TRP 34 Cb 0.20 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 3ag1 h TRP 34 CO -0.06 0.40 -0.04 0.74 -2.79 0.00 0.00 178.44 176.69 3ag1 h PHE 35 N -0.18 0.00 0.00 2.65 0.04 -0.92 -3.34 116.94 115.20 3ag1 h PHE 35 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3ag1 h PHE 35 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3ag1 h PHE 35 CO 0.04 0.04 -0.80 0.72 -0.60 0.00 0.00 178.31 177.71 3ag1 n HIS 36 N -4.14 0.00 -1.54 -0.55 8.25 -0.92 -4.78 115.22 111.55 3ag1 n HIS 36 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 3ag1 n HIS 36 Cb 0.13 0.04 0.16 0.00 1.12 0.00 0.00 29.99 31.43 3ag1 n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ag1 n PHE 37 N -2.52 1.66 -0.93 4.41 3.72 0.68 -5.01 117.46 119.46 3ag1 n PHE 37 Ca 0.00 -1.88 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 3ag1 n PHE 37 Cb 0.40 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 3ag1 n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ag1 n ASN 38 N -1.04 0.00 -3.58 4.37 5.15 -0.98 -4.84 115.26 114.34 3ag1 n ASN 38 Ca 0.39 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.26 3ag1 n ASN 38 Cb 1.01 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 40.21 3ag1 n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ag1 s SER 39 N 0.00 -0.42 0.00 1.20 0.15 -1.20 -4.97 113.70 108.46 3ag1 s SER 39 Ca 0.00 0.54 0.12 0.00 0.70 0.00 0.00 55.95 57.30 3ag1 s SER 39 Cb 0.00 0.45 0.22 0.00 -1.71 0.00 0.00 66.02 64.98 3ag1 s SER 39 CO 0.00 -0.34 1.10 0.23 1.20 0.00 0.00 173.24 175.43 3ag1 n MET 40 N 1.03 1.86 0.30 5.44 2.81 -1.26 -2.50 117.12 124.80 3ag1 n MET 40 Ca -0.12 -1.69 -0.16 0.00 -1.81 0.00 0.00 57.70 53.92 3ag1 n MET 40 Cb 0.57 -1.26 -0.08 0.00 -0.71 0.00 0.00 33.22 31.74 3ag1 n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3ag1 h THR 41 N 2.26 0.47 -0.33 2.03 2.02 -1.98 -0.41 112.91 116.98 3ag1 h THR 41 Ca 0.00 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.11 3ag1 h THR 41 Cb 0.64 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3ag1 h THR 41 CO 0.00 0.02 0.15 -0.07 0.37 0.00 0.00 175.52 175.99 3ag1 h LEU 42 N -0.77 0.22 -0.56 2.58 3.38 -1.89 -1.82 115.31 116.45 3ag1 h LEU 42 Ca -0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3ag1 h LEU 42 Cb 0.57 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3ag1 h LEU 42 CO 0.12 0.16 0.26 0.25 0.09 0.00 0.00 178.44 179.32 3ag1 h LEU 43 N 0.32 0.33 -0.45 1.67 5.85 -1.69 -0.85 115.31 120.50 3ag1 h LEU 43 Ca 0.14 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ag1 h LEU 43 Cb 0.06 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3ag1 h LEU 43 CO -0.11 0.22 0.27 0.24 -0.34 0.00 0.00 178.44 178.73 3ag1 h MET 44 N 0.48 0.61 -0.05 1.25 2.86 -0.68 -0.41 114.93 119.01 3ag1 h MET 44 Ca 0.26 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3ag1 h MET 44 Cb 0.23 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3ag1 h MET 44 CO -0.21 0.45 -0.03 0.82 1.06 0.00 0.00 176.91 179.00 3ag1 h ILE 45 N 0.60 0.91 -0.47 -1.22 2.04 -0.88 -1.86 117.51 116.63 3ag1 h ILE 45 Ca 0.16 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.12 3ag1 h ILE 45 Cb -0.00 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 3ag1 h ILE 45 CO -0.03 0.00 -0.25 1.23 0.00 0.00 0.00 178.15 179.10 3ag1 h GLY 46 N -0.03 0.04 1.58 5.37 0.00 -0.82 0.44 103.07 109.65 3ag1 h GLY 46 Ca 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3ag1 h GLY 46 CO -0.07 -0.21 0.19 1.41 0.00 0.00 0.00 176.54 177.86 3ag1 h LEU 47 N -0.14 0.49 0.10 3.11 3.38 -0.97 0.61 115.31 121.89 3ag1 h LEU 47 Ca 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ag1 h LEU 47 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ag1 h LEU 47 CO -0.56 0.42 -0.05 0.74 0.09 0.00 0.00 178.44 179.08 3ag1 h THR 48 N 0.55 1.11 -0.42 0.22 2.02 -0.41 -0.12 112.91 115.86 3ag1 h THR 48 Ca 0.14 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 3ag1 h THR 48 Cb 0.07 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3ag1 h THR 48 CO -0.02 0.26 0.11 0.71 0.37 0.00 0.00 175.52 176.95 3ag1 h THR 49 N -0.70 1.19 0.06 3.16 1.35 0.14 -0.70 112.91 117.41 3ag1 h THR 49 Ca -0.01 -0.66 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3ag1 h THR 49 Cb 0.54 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3ag1 h THR 49 CO 0.02 0.24 -0.03 -1.13 -0.25 0.00 0.00 175.52 174.37 3ag1 h ASN 50 N 0.61 -0.07 -0.83 5.36 -1.24 -0.87 0.39 115.58 118.93 3ag1 h ASN 50 Ca 0.14 -0.25 0.07 0.00 0.71 0.00 0.00 56.30 56.97 3ag1 h ASN 50 Cb 0.22 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 3ag1 h ASN 50 CO -0.00 0.21 0.51 0.24 -1.29 0.00 0.00 177.43 177.09 3ag1 h MET 51 N -0.36 0.88 -0.85 6.67 2.86 -0.81 -1.43 114.93 121.90 3ag1 h MET 51 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3ag1 h MET 51 Cb 0.32 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3ag1 h MET 51 CO 0.01 0.58 0.45 -0.07 1.06 0.00 0.00 176.91 178.95 3ag1 h LEU 52 N 0.91 1.07 -0.05 1.22 3.38 -0.84 -1.77 115.31 119.22 3ag1 h LEU 52 Ca 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3ag1 h LEU 52 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ag1 h LEU 52 CO -0.19 0.87 -0.00 0.74 0.09 0.00 0.00 178.44 179.95 3ag1 h THR 53 N 1.19 1.25 -0.40 0.22 2.02 0.53 -2.01 112.91 115.72 3ag1 h THR 53 Ca 0.30 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3ag1 h THR 53 Cb 0.05 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3ag1 h THR 53 CO -0.05 0.21 0.16 0.24 0.37 0.00 0.00 175.52 176.46 3ag1 h MET 54 N -0.20 0.59 -0.20 6.66 2.86 -1.24 0.62 114.93 124.03 3ag1 h MET 54 Ca 0.01 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3ag1 h MET 54 Cb 0.34 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3ag1 h MET 54 CO 0.00 0.55 0.01 -0.92 1.06 0.00 0.00 176.91 177.62 3ag1 h TYR 55 N 0.50 0.02 -0.38 -0.22 3.20 -1.28 -1.81 116.97 117.00 3ag1 h TYR 55 Ca 0.13 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 3ag1 h TYR 55 Cb 0.18 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3ag1 h TYR 55 CO -0.00 -0.01 -0.16 1.96 -1.64 0.00 0.00 178.16 178.31 3ag1 h GLN 56 N 0.08 0.78 0.32 1.82 4.20 -0.91 -1.72 115.11 119.68 3ag1 h GLN 56 Ca 0.09 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3ag1 h GLN 56 Cb 0.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ag1 h GLN 56 CO -0.15 0.95 -0.15 2.35 -0.67 0.00 0.00 178.83 181.16 3ag1 h TRP 57 N 0.59 -0.40 -0.66 2.96 2.91 -0.83 -0.14 115.95 120.37 3ag1 h TRP 57 Ca 0.09 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.08 3ag1 h TRP 57 Cb 0.70 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.45 3ag1 h TRP 57 CO 0.06 -0.20 0.34 -1.49 -1.03 0.00 0.00 178.44 176.11 3ag1 h TRP 58 N -0.50 0.91 -0.42 2.65 6.55 -1.38 -1.89 115.95 121.87 3ag1 h TRP 58 Ca -0.04 -0.02 0.06 0.00 0.95 0.00 0.00 58.89 59.84 3ag1 h TRP 58 Cb 0.38 -0.29 -0.06 0.00 -0.86 0.00 0.00 29.16 28.33 3ag1 h TRP 58 CO -0.04 0.65 0.09 -0.09 -1.05 0.00 0.00 178.44 178.01 3ag1 h ARG 59 N 0.93 0.22 -0.73 0.49 2.43 -1.16 -1.70 114.38 114.86 3ag1 h ARG 59 Ca 0.23 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3ag1 h ARG 59 Cb 0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3ag1 h ARG 59 CO -0.03 0.15 0.34 -0.44 -1.51 0.00 0.00 179.97 178.47 3ag1 h ASP 60 N 0.23 0.95 -0.51 -3.80 3.32 -0.37 -0.83 116.42 115.41 3ag1 h ASP 60 Ca 0.20 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3ag1 h ASP 60 Cb 0.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ag1 h ASP 60 CO -0.26 0.81 -0.01 0.58 -1.72 0.00 0.00 179.24 178.64 3ag1 h VAL 61 N 1.03 1.26 -0.98 -1.35 2.07 -1.05 -0.11 116.25 117.13 3ag1 h VAL 61 Ca 0.25 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3ag1 h VAL 61 Cb 0.12 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3ag1 h VAL 61 CO -0.03 0.40 0.63 0.40 0.02 0.00 0.00 177.57 178.99 3ag1 h ILE 62 N 0.88 1.14 -0.73 4.57 2.04 -0.80 -2.42 117.51 122.19 3ag1 h ILE 62 Ca 0.16 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3ag1 h ILE 62 Cb 0.53 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3ag1 h ILE 62 CO 0.03 0.22 0.35 0.03 0.00 0.00 0.00 178.15 178.78 3ag1 h ARG 63 N 1.21 1.05 0.00 2.37 3.08 -0.26 0.25 114.38 122.07 3ag1 h ARG 63 Ca 0.40 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 3ag1 h ARG 63 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3ag1 h ARG 63 CO -0.14 0.82 -0.53 0.93 -1.07 0.00 0.00 179.97 179.98 3ag1 h GLU 64 N 1.02 0.00 0.00 0.04 5.08 -0.92 0.11 114.58 119.91 3ag1 h GLU 64 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3ag1 h GLU 64 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ag1 h GLU 64 CO -0.03 0.53 -0.63 -1.13 -1.00 0.00 0.00 179.01 176.76 3ag1 n SER 65 N -3.70 1.30 -0.11 1.42 3.41 -0.92 -0.49 113.62 114.52 3ag1 n SER 65 Ca -0.01 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 3ag1 n SER 65 Cb 0.58 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3ag1 n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ag1 h THR 66 N -0.63 1.27 0.00 6.66 2.02 -0.69 -2.17 112.91 119.37 3ag1 h THR 66 Ca 0.00 -1.34 -0.34 0.00 0.77 0.00 0.00 66.41 65.49 3ag1 h THR 66 Cb 0.63 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 3ag1 h THR 66 CO 0.00 0.45 -2.18 0.49 0.37 0.00 0.00 175.52 174.65 3ag1 n PHE 67 N -4.11 0.30 0.36 3.16 0.99 -0.89 -4.53 117.46 112.74 3ag1 n PHE 67 Ca 0.00 0.11 0.06 0.00 -0.00 0.00 0.00 57.45 57.62 3ag1 n PHE 67 Cb 0.44 -1.05 -0.08 0.00 -1.00 0.00 0.00 39.48 37.79 3ag1 n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3ag1 n GLN 68 N -2.84 2.08 -1.76 -1.08 6.02 -0.03 -5.02 117.38 114.76 3ag1 n GLN 68 Ca -0.28 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.60 3ag1 n GLN 68 Cb 1.12 -1.15 -0.01 0.00 1.02 0.00 0.00 30.24 31.22 3ag1 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ag1 n GLY 69 N 1.47 0.41 0.22 1.08 0.00 -0.81 -4.94 105.19 102.62 3ag1 n GLY 69 Ca 0.01 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.52 3ag1 n GLY 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ag1 h HIS 70 N 0.00 0.00 -0.49 1.61 3.86 -0.96 -3.40 115.15 115.78 3ag1 h HIS 70 Ca -0.16 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.46 3ag1 h HIS 70 Cb 0.86 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 3ag1 h HIS 70 CO 0.19 0.00 2.11 0.72 0.86 0.00 0.00 177.93 181.81 3ag1 n HIS 71 N -2.84 3.60 -0.87 2.45 8.25 -1.26 -4.74 115.22 119.81 3ag1 n HIS 71 Ca 0.02 -2.38 -0.30 0.00 -0.26 0.00 0.00 57.72 54.80 3ag1 n HIS 71 Cb 0.35 -2.50 0.18 0.00 1.12 0.00 0.00 29.99 29.13 3ag1 n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ag1 s THR 72 N 5.87 2.32 0.38 1.59 -4.23 -1.26 -4.72 115.64 115.58 3ag1 s THR 72 Ca 0.57 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 3ag1 s THR 72 Cb 0.06 -2.34 0.31 0.00 1.34 0.00 0.00 72.50 71.87 3ag1 s THR 72 CO 0.07 -0.14 1.95 -0.65 -0.54 0.00 0.00 174.62 175.31 3ag1 h PRO 73 N -1.96 0.65 -0.41 3.99 0.11 -1.92 0.67 132.00 133.13 3ag1 h PRO 73 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3ag1 h PRO 73 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3ag1 h PRO 73 CO 0.50 0.43 0.26 0.00 -0.21 0.00 0.00 178.00 178.98 3ag1 h ALA 74 N 1.62 0.51 -0.80 -0.75 0.00 -1.91 -1.10 119.26 116.83 3ag1 h ALA 74 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3ag1 h ALA 74 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3ag1 h ALA 74 CO -0.11 -0.01 0.34 0.28 0.00 0.00 0.00 179.25 179.75 3ag1 h VAL 75 N 0.54 1.26 -0.42 0.00 2.07 -1.55 -2.83 116.25 115.33 3ag1 h VAL 75 Ca 0.15 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.76 3ag1 h VAL 75 Cb -0.04 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3ag1 h VAL 75 CO -0.03 0.32 -0.25 -0.61 0.02 0.00 0.00 177.57 177.02 3ag1 h GLN 76 N 1.16 0.86 -0.79 1.57 4.15 -0.51 -1.11 115.11 120.44 3ag1 h GLN 76 Ca 0.27 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.36 3ag1 h GLN 76 Cb 0.18 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 3ag1 h GLN 76 CO -0.03 1.02 0.50 -0.22 -1.93 0.00 0.00 178.83 178.17 3ag1 h LYS 77 N 0.74 0.93 -0.77 1.69 3.64 -1.21 -1.38 116.57 120.22 3ag1 h LYS 77 Ca 0.09 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3ag1 h LYS 77 Cb 0.80 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 3ag1 h LYS 77 CO 0.07 0.62 0.47 0.78 -2.27 0.00 0.00 179.45 179.12 3ag1 h GLY 78 N 0.96 1.14 1.02 5.01 0.00 -1.11 -2.63 103.07 107.45 3ag1 h GLY 78 Ca 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3ag1 h GLY 78 CO -0.13 0.26 0.30 1.41 0.00 0.00 0.00 176.54 178.38 3ag1 h LEU 79 N 0.89 0.94 -0.12 3.11 3.38 -0.14 -1.64 115.31 121.73 3ag1 h LEU 79 Ca 0.33 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ag1 h LEU 79 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ag1 h LEU 79 CO -0.15 0.84 0.06 0.03 0.09 0.00 0.00 178.44 179.31 3ag1 h ARG 80 N 0.98 0.13 -0.71 1.13 3.08 -1.19 0.03 114.38 117.83 3ag1 h ARG 80 Ca 0.23 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.32 3ag1 h ARG 80 Cb 0.17 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3ag1 h ARG 80 CO -0.02 0.09 0.43 1.88 -1.07 0.00 0.00 179.97 181.27 3ag1 h TYR 81 N 0.13 0.79 -0.55 3.04 0.05 -1.28 -1.82 116.97 117.34 3ag1 h TYR 81 Ca 0.05 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3ag1 h TYR 81 Cb 0.01 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 3ag1 h TYR 81 CO -0.09 0.41 0.20 0.78 -1.05 0.00 0.00 178.16 178.41 3ag1 h GLY 82 N 0.80 0.90 1.25 3.88 0.00 -0.55 -1.60 103.07 107.75 3ag1 h GLY 82 Ca 0.30 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3ag1 h GLY 82 CO -0.15 0.48 -0.17 1.98 0.00 0.00 0.00 176.54 178.68 3ag1 h MET 83 N 0.75 0.87 -0.50 4.80 1.85 -0.80 -0.97 114.93 120.93 3ag1 h MET 83 Ca 0.18 -0.33 -0.07 0.00 -0.61 0.00 0.00 59.70 58.87 3ag1 h MET 83 Cb 0.24 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 3ag1 h MET 83 CO -0.01 0.97 0.04 0.82 -0.40 0.00 0.00 176.91 178.33 3ag1 h ILE 84 N 0.77 1.26 -0.34 1.77 2.04 -1.12 -1.02 117.51 120.86 3ag1 h ILE 84 Ca 0.11 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 3ag1 h ILE 84 Cb 0.69 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3ag1 h ILE 84 CO 0.05 0.36 -0.26 -0.07 0.00 0.00 0.00 178.15 178.22 3ag1 h LEU 85 N 0.72 0.72 -1.02 1.44 3.38 -1.07 -1.49 115.31 117.99 3ag1 h LEU 85 Ca 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ag1 h LEU 85 Cb 0.46 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3ag1 h LEU 85 CO 0.02 0.95 0.61 0.15 0.09 0.00 0.00 178.44 180.26 3ag1 h PHE 86 N 0.60 1.23 -0.34 1.13 3.57 -0.91 -2.13 116.94 120.08 3ag1 h PHE 86 Ca 0.08 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 3ag1 h PHE 86 Cb 0.76 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3ag1 h PHE 86 CO 0.04 0.79 -0.34 0.82 -2.23 0.00 0.00 178.31 177.38 3ag1 h ILE 87 N 1.31 1.28 -0.48 1.41 2.04 -0.34 -1.58 117.51 121.15 3ag1 h ILE 87 Ca 0.35 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.74 3ag1 h ILE 87 Cb -0.11 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3ag1 h ILE 87 CO -0.07 0.49 0.24 0.40 0.00 0.00 0.00 178.15 179.21 3ag1 h ILE 88 N 0.65 0.97 0.00 -0.67 2.04 -1.03 0.30 117.51 119.76 3ag1 h ILE 88 Ca 0.06 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 3ag1 h ILE 88 Cb 0.89 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3ag1 h ILE 88 CO 0.08 0.09 -0.50 0.77 0.00 0.00 0.00 178.15 178.58 3ag1 h SER 89 N 0.48 0.00 -0.24 1.72 4.64 -0.85 0.55 113.55 119.85 3ag1 h SER 89 Ca 0.21 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3ag1 h SER 89 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3ag1 h SER 89 CO -0.14 0.50 -0.13 -0.33 -0.87 0.00 0.00 176.83 175.86 3ag1 h GLU 90 N 0.00 0.65 -0.69 4.77 4.39 -0.10 -1.88 114.58 121.71 3ag1 h GLU 90 Ca -0.01 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 3ag1 h GLU 90 Cb 0.98 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 3ag1 h GLU 90 CO 0.07 0.75 0.31 0.28 -1.16 0.00 0.00 179.01 179.26 3ag1 h VAL 91 N 0.59 1.24 -0.01 3.13 2.07 0.12 -2.11 116.25 121.28 3ag1 h VAL 91 Ca 0.10 -0.71 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 3ag1 h VAL 91 Cb 0.56 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3ag1 h VAL 91 CO 0.04 0.29 -0.62 -0.07 0.02 0.00 0.00 177.57 177.23 3ag1 h LEU 92 N 0.98 0.04 0.51 2.57 -0.00 -0.67 -0.77 115.31 117.96 3ag1 h LEU 92 Ca 0.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 3ag1 h LEU 92 Cb 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 3ag1 h LEU 92 CO -0.02 0.64 -0.24 0.15 -0.00 0.00 0.00 178.44 178.96 3ag1 h PHE 93 N 0.02 -0.63 -0.64 1.13 3.57 -1.04 -2.30 116.94 117.04 3ag1 h PHE 93 Ca -0.01 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.63 3ag1 h PHE 93 Cb 1.10 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 3ag1 h PHE 93 CO 0.00 -0.36 0.45 0.74 -2.23 0.00 0.00 178.31 176.91 3ag1 h PHE 94 N -0.76 0.22 -0.52 0.41 -1.00 -1.29 -1.72 116.94 112.29 3ag1 h PHE 94 Ca -0.07 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.73 3ag1 h PHE 94 Cb 0.56 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 3ag1 h PHE 94 CO -0.02 0.09 0.34 1.15 -1.61 0.00 0.00 178.31 178.26 3ag1 h THR 95 N 0.19 1.10 0.00 -1.55 2.02 -0.54 -1.54 112.91 112.60 3ag1 h THR 95 Ca 0.31 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 3ag1 h THR 95 Cb 0.95 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3ag1 h THR 95 CO -0.06 0.12 -0.49 1.23 0.37 0.00 0.00 175.52 176.70 3ag1 h GLY 96 N 0.66 0.00 0.88 2.16 0.00 -1.24 -0.39 103.07 105.14 3ag1 h GLY 96 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3ag1 h GLY 96 CO -0.05 0.00 -0.07 0.74 0.00 0.00 0.00 176.54 177.16 3ag1 h PHE 97 N 0.00 0.61 -0.83 5.60 0.04 -1.35 -1.10 116.94 119.92 3ag1 h PHE 97 Ca -0.00 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.68 3ag1 h PHE 97 Cb 0.87 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 3ag1 h PHE 97 CO 0.00 0.75 0.52 0.74 -0.60 0.00 0.00 178.31 179.72 3ag1 h PHE 98 N 0.30 0.97 -0.22 -0.55 0.04 -1.13 -1.79 116.94 114.57 3ag1 h PHE 98 Ca 0.07 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.88 3ag1 h PHE 98 Cb 0.55 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 3ag1 h PHE 98 CO 0.05 0.53 0.12 2.35 -0.60 0.00 0.00 178.31 180.76 3ag1 h TRP 99 N 0.99 0.22 -0.64 -0.55 2.91 -0.92 0.06 115.95 118.02 3ag1 h TRP 99 Ca 0.34 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.44 3ag1 h TRP 99 Cb 0.08 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.60 3ag1 h TRP 99 CO -0.03 0.13 0.33 0.00 -1.03 0.00 0.00 178.44 177.84 3ag1 h ALA 100 N 1.10 0.85 -0.31 2.65 0.00 -0.92 0.13 119.26 122.76 3ag1 h ALA 100 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ag1 h ALA 100 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ag1 h ALA 100 CO -0.05 -0.02 0.08 0.35 0.00 0.00 0.00 179.25 179.61 3ag1 h PHE 101 N 0.60 0.51 -0.46 0.00 3.57 -0.60 -1.74 116.94 118.82 3ag1 h PHE 101 Ca 0.29 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 3ag1 h PHE 101 Cb 0.23 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3ag1 h PHE 101 CO -0.10 0.53 -0.19 1.88 -2.23 0.00 0.00 178.31 178.21 3ag1 h TYR 102 N 0.33 1.04 -0.27 0.41 -1.99 -0.78 -1.81 116.97 113.90 3ag1 h TYR 102 Ca 0.10 -0.24 0.06 0.00 2.00 0.00 0.00 58.73 60.65 3ag1 h TYR 102 Cb 0.28 -0.25 -0.06 0.00 2.00 0.00 0.00 36.73 38.69 3ag1 h TYR 102 CO 0.01 1.02 -0.12 1.25 -0.00 0.00 0.00 178.16 180.32 3ag1 h HIS 103 N 0.80 -0.29 -0.23 4.88 2.76 -0.52 -1.91 115.15 120.64 3ag1 h HIS 103 Ca 0.11 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.16 3ag1 h HIS 103 Cb 0.74 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 3ag1 h HIS 103 CO 0.04 -0.19 -0.46 0.77 -1.30 0.00 0.00 177.93 176.79 3ag1 h SER 104 N -0.08 0.65 0.62 3.26 0.02 -1.16 -3.23 113.55 113.63 3ag1 h SER 104 Ca 0.14 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.63 3ag1 h SER 104 Cb 0.29 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3ag1 h SER 104 CO -0.33 1.01 -1.49 -1.54 -1.14 0.00 0.00 176.83 173.34 3ag1 n SER 105 N -4.00 0.70 0.16 3.07 3.41 -0.69 -3.16 113.62 113.11 3ag1 n SER 105 Ca -0.02 0.30 0.04 0.00 -0.26 0.00 0.00 58.87 58.93 3ag1 n SER 105 Cb 0.56 0.45 0.17 0.00 -0.26 0.00 0.00 64.21 65.12 3ag1 n SER 105 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ag1 h LEU 106 N 0.00 0.00 -5.85 1.04 3.38 -1.48 -3.39 115.31 109.02 3ag1 h LEU 106 Ca -0.16 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.27 3ag1 h LEU 106 Cb 1.50 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.85 3ag1 h LEU 106 CO 0.03 0.46 -0.97 0.00 0.09 0.00 0.00 178.44 178.06 3ag1 n ALA 107 N -2.26 3.02 -1.76 1.53 0.00 -1.22 -5.11 120.51 114.71 3ag1 n ALA 107 Ca 0.01 -3.90 -0.41 0.00 0.00 0.00 0.00 53.44 49.14 3ag1 n ALA 107 Cb 0.64 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 3ag1 n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3ag1 s PRO 108 N -2.44 4.11 0.55 0.00 0.02 -1.19 -4.85 135.00 131.20 3ag1 s PRO 108 Ca 0.41 2.59 -0.01 0.00 0.02 0.00 0.00 61.00 64.01 3ag1 s PRO 108 Cb 0.27 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.81 3ag1 s PRO 108 CO -0.09 -0.63 0.80 0.95 -0.33 0.00 0.00 177.00 177.70 3ag1 s THR 109 N -0.23 3.16 0.45 0.99 -4.23 -1.26 -4.58 115.64 109.94 3ag1 s THR 109 Ca 0.61 -0.44 0.17 0.00 -1.18 0.00 0.00 61.69 60.85 3ag1 s THR 109 Cb -0.48 -3.21 0.36 0.00 1.34 0.00 0.00 72.50 70.50 3ag1 s THR 109 CO 0.51 -0.17 1.95 -0.65 -0.54 0.00 0.00 174.62 175.72 3ag1 h PRO 110 N 0.02 0.31 0.00 3.99 0.11 -1.93 -0.34 132.00 134.16 3ag1 h PRO 110 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3ag1 h PRO 110 Cb 1.28 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ag1 h PRO 110 CO 0.56 0.21 -0.11 0.93 -0.21 0.00 0.00 178.00 179.38 3ag1 h GLU 111 N 0.32 0.00 -0.00 1.05 3.07 -2.01 0.36 114.58 117.36 3ag1 h GLU 111 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3ag1 h GLU 111 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3ag1 h GLU 111 CO -0.08 0.11 -0.16 1.28 -1.40 0.00 0.00 179.01 178.76 3ag1 n LEU 112 N -3.87 0.27 0.00 1.33 4.77 -0.93 -4.90 117.00 113.68 3ag1 n LEU 112 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3ag1 n LEU 112 Cb 0.21 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3ag1 n LEU 112 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3ag1 n GLY 113 N 1.42 1.01 3.38 -0.72 0.00 0.11 -1.81 105.19 108.58 3ag1 n GLY 113 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3ag1 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 114 N -1.98 -0.49 3.36 -0.02 0.00 -0.18 -4.93 105.19 100.95 3ag1 n GLY 114 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3ag1 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s TRP 116 N -3.94 1.56 0.74 0.00 -0.11 -1.26 -3.59 118.94 112.34 3ag1 s TRP 116 Ca 0.14 -0.59 -0.14 0.00 1.22 0.00 0.00 56.10 56.74 3ag1 s TRP 116 Cb 0.03 -1.13 0.05 0.00 -1.50 0.00 0.00 33.47 30.91 3ag1 s TRP 116 CO -0.02 -0.29 1.16 -1.25 -4.62 0.00 0.00 176.95 171.93 3ag1 s PRO 117 N 0.65 2.15 0.65 5.86 0.04 -1.26 -4.95 135.00 138.14 3ag1 s PRO 117 Ca -0.15 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 3ag1 s PRO 117 Cb -0.16 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3ag1 s PRO 117 CO 0.04 -1.78 1.18 -2.30 0.04 0.00 0.00 177.00 174.17 3ag1 n PRO 118 N -2.95 0.97 -1.53 0.56 -0.02 -1.24 -4.88 135.00 125.91 3ag1 n PRO 118 Ca 0.12 0.39 -0.55 0.00 -2.02 0.00 0.00 63.50 61.44 3ag1 n PRO 118 Cb 0.51 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 3ag1 n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ag1 n THR 119 N -1.97 0.25 0.00 3.45 -1.04 -0.75 -1.87 114.28 112.35 3ag1 n THR 119 Ca 0.15 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3ag1 n THR 119 Cb 0.48 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 3ag1 n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ag1 n GLY 120 N 1.92 1.94 3.74 3.41 0.00 -1.26 -4.98 105.19 109.96 3ag1 n GLY 120 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3ag1 n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag1 s ILE 121 N -2.41 5.19 -0.55 -0.61 -1.09 -0.78 -5.06 121.20 115.88 3ag1 s ILE 121 Ca 0.00 0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 59.23 3ag1 s ILE 121 Cb 0.00 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.27 3ag1 s ILE 121 CO 0.00 0.39 0.36 -1.00 -1.23 0.00 0.00 174.94 173.45 3ag1 s HIS 122 N 0.28 3.45 0.72 3.97 3.76 -1.26 -4.89 115.29 121.31 3ag1 s HIS 122 Ca 0.23 -2.67 -0.15 0.00 -0.15 0.00 0.00 55.06 52.32 3ag1 s HIS 122 Cb -0.15 -3.18 0.03 0.00 1.11 0.00 0.00 32.58 30.39 3ag1 s HIS 122 CO 0.09 -0.87 1.20 -2.14 -0.85 0.00 0.00 174.74 172.17 3ag1 s PRO 123 N 0.27 2.24 0.59 8.40 0.02 -1.26 -4.81 135.00 140.44 3ag1 s PRO 123 Ca 0.14 1.75 -0.20 0.00 0.02 0.00 0.00 61.00 62.72 3ag1 s PRO 123 Cb -0.21 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3ag1 s PRO 123 CO -0.03 -1.76 1.18 1.28 -0.33 0.00 0.00 177.00 177.34 3ag1 n LEU 124 N -2.61 4.85 -4.66 -5.54 4.77 -1.26 -4.97 117.00 107.58 3ag1 n LEU 124 Ca 0.13 0.88 -0.43 0.00 -0.03 0.00 0.00 56.01 56.57 3ag1 n LEU 124 Cb 0.50 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 3ag1 n LEU 124 CO 0.47 -1.19 1.15 0.21 -1.33 0.00 0.00 177.39 176.71 3ag1 s ASN 125 N -1.14 6.87 0.05 -1.43 3.84 -1.26 -4.89 114.94 116.98 3ag1 s ASN 125 Ca 0.76 1.89 0.12 0.00 0.21 0.00 0.00 52.86 55.83 3ag1 s ASN 125 Cb -0.42 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.25 3ag1 s ASN 125 CO 0.46 -0.79 1.36 -0.81 -2.79 0.00 0.00 177.10 174.54 3ag1 n PRO 126 N 6.52 0.03 -0.10 0.43 -0.04 -1.26 -2.35 135.00 138.23 3ag1 n PRO 126 Ca 0.14 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3ag1 n PRO 126 Cb 0.44 -1.57 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 3ag1 n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ag1 n LEU 127 N -1.63 2.92 0.00 1.53 7.99 -1.26 -2.45 117.00 124.09 3ag1 n LEU 127 Ca 0.02 -1.14 0.00 0.00 -0.01 0.00 0.00 56.01 54.88 3ag1 n LEU 127 Cb 0.12 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 3ag1 n LEU 127 CO 0.10 0.57 0.00 -0.62 -1.51 0.00 0.00 177.39 175.93 3ag1 n GLU 128 N 1.19 0.00 -0.28 3.23 1.02 -0.99 -4.67 120.64 120.14 3ag1 n GLU 128 Ca 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 3ag1 n GLU 128 Cb 0.55 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.12 3ag1 n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ag1 h VAL 129 N 0.00 1.24 -0.10 2.62 2.07 -1.88 -2.34 116.25 117.86 3ag1 h VAL 129 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3ag1 h VAL 129 Cb 0.00 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3ag1 h VAL 129 CO 0.00 0.26 -0.01 -0.65 0.02 0.00 0.00 177.57 177.19 3ag1 h PRO 130 N 1.15 0.13 -0.05 1.57 0.11 -1.78 0.16 132.00 133.29 3ag1 h PRO 130 Ca 0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3ag1 h PRO 130 Cb -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3ag1 h PRO 130 CO -0.05 0.16 -0.01 1.25 -0.21 0.00 0.00 178.00 179.14 3ag1 h LEU 131 N 0.13 0.10 -0.59 2.35 5.85 -1.11 -2.12 115.31 119.92 3ag1 h LEU 131 Ca 0.03 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.51 3ag1 h LEU 131 Cb 0.11 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.00 3ag1 h LEU 131 CO 0.00 0.44 -0.15 0.25 -0.34 0.00 0.00 178.44 178.65 3ag1 h LEU 132 N -0.24 -0.55 -1.03 2.25 5.85 -0.78 -0.41 115.31 120.41 3ag1 h LEU 132 Ca 0.01 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3ag1 h LEU 132 Cb 0.40 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3ag1 h LEU 132 CO 0.00 -0.19 0.66 0.78 -0.34 0.00 0.00 178.44 179.35 3ag1 h ASN 133 N 0.00 1.12 -0.01 1.25 2.35 -0.70 0.27 115.58 119.86 3ag1 h ASN 133 Ca 0.28 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3ag1 h ASN 133 Cb 0.43 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3ag1 h ASN 133 CO -0.61 0.79 0.01 0.74 -1.65 0.00 0.00 177.43 176.71 3ag1 h THR 134 N 1.31 1.04 -0.30 2.81 2.02 -0.43 -1.53 112.91 117.84 3ag1 h THR 134 Ca 0.38 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3ag1 h THR 134 Cb -0.10 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3ag1 h THR 134 CO -0.09 0.03 0.11 0.77 0.37 0.00 0.00 175.52 176.71 3ag1 h SER 135 N -0.03 0.37 -0.21 4.18 4.64 -0.56 -1.77 113.55 120.17 3ag1 h SER 135 Ca 0.00 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 3ag1 h SER 135 Cb 0.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3ag1 h SER 135 CO -0.00 0.35 -0.38 0.58 -0.87 0.00 0.00 176.83 176.51 3ag1 h VAL 136 N 0.42 1.32 -0.35 0.95 2.07 -0.67 -1.17 116.25 118.82 3ag1 h VAL 136 Ca 0.10 -1.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.90 3ag1 h VAL 136 Cb 0.10 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3ag1 h VAL 136 CO -0.01 0.50 -0.30 -0.07 0.02 0.00 0.00 177.57 177.70 3ag1 h LEU 137 N 0.31 0.79 -0.55 2.57 3.38 -1.02 -2.37 115.31 118.42 3ag1 h LEU 137 Ca 0.01 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3ag1 h LEU 137 Cb 0.97 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3ag1 h LEU 137 CO 0.09 1.04 0.22 -0.07 0.09 0.00 0.00 178.44 179.81 3ag1 h LEU 138 N 0.65 0.76 -1.26 1.67 3.38 -1.29 -1.62 115.31 117.59 3ag1 h LEU 138 Ca 0.07 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3ag1 h LEU 138 Cb 0.83 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3ag1 h LEU 138 CO 0.07 0.72 -0.15 0.00 0.09 0.00 0.00 178.44 179.17 3ag1 h ALA 139 N 1.07 1.39 0.00 1.53 0.00 -1.16 -0.60 119.26 121.48 3ag1 h ALA 139 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ag1 h ALA 139 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ag1 h ALA 139 CO -0.02 0.42 -0.06 0.66 0.00 0.00 0.00 179.25 180.26 3ag1 h SER 140 N 0.30 0.00 0.35 0.00 4.64 -0.87 -1.68 113.55 116.29 3ag1 h SER 140 Ca 0.06 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 3ag1 h SER 140 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3ag1 h SER 140 CO 0.03 0.06 -0.54 1.23 -0.87 0.00 0.00 176.83 176.74 3ag1 h GLY 141 N 2.75 0.22 0.82 -0.77 0.00 -0.17 -1.93 103.07 103.98 3ag1 h GLY 141 Ca -0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 3ag1 h GLY 141 CO 0.01 0.22 -0.63 -2.08 0.00 0.00 0.00 176.54 174.07 3ag1 h VAL 142 N 0.16 1.41 -0.08 4.60 2.07 -0.98 -3.11 116.25 120.32 3ag1 h VAL 142 Ca 0.00 -2.08 -0.13 0.00 0.82 0.00 0.00 66.70 65.31 3ag1 h VAL 142 Cb 1.00 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3ag1 h VAL 142 CO 0.08 0.61 -0.55 0.77 0.02 0.00 0.00 177.57 178.49 3ag1 h SER 143 N -0.06 0.25 0.52 0.57 4.64 -1.38 -1.11 113.55 116.99 3ag1 h SER 143 Ca -0.08 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3ag1 h SER 143 Cb 1.33 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3ag1 h SER 143 CO 0.12 0.75 -0.35 -0.29 -0.87 0.00 0.00 176.83 176.20 3ag1 h ILE 144 N 0.17 1.06 -0.20 0.95 2.10 -1.44 -1.47 117.51 118.68 3ag1 h ILE 144 Ca 0.00 -1.28 -0.15 0.00 1.08 0.00 0.00 64.86 64.50 3ag1 h ILE 144 Cb 1.03 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 3ag1 h ILE 144 CO 0.09 0.34 -0.47 0.74 -1.08 0.00 0.00 178.15 177.77 3ag1 h THR 145 N 0.00 1.31 -0.70 2.19 2.02 -1.37 -0.00 112.91 116.37 3ag1 h THR 145 Ca -0.00 -1.70 0.10 0.00 0.77 0.00 0.00 66.41 65.58 3ag1 h THR 145 Cb 0.70 1.86 -0.08 0.00 -1.74 0.00 0.00 68.15 68.89 3ag1 h THR 145 CO 0.05 0.53 0.31 -0.25 0.37 0.00 0.00 175.52 176.53 3ag1 h TRP 146 N 0.38 0.55 -0.47 3.16 7.01 -1.03 -1.79 115.95 123.76 3ag1 h TRP 146 Ca -0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3ag1 h TRP 146 Cb 1.08 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 3ag1 h TRP 146 CO 0.09 0.16 0.23 0.00 -2.79 0.00 0.00 178.44 176.13 3ag1 h ALA 147 N 1.45 0.60 -0.33 2.65 0.00 -1.01 -1.15 119.26 121.47 3ag1 h ALA 147 Ca 0.35 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3ag1 h ALA 147 Cb 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ag1 h ALA 147 CO -0.31 0.16 0.10 1.25 0.00 0.00 0.00 179.25 180.46 3ag1 h HIS 148 N 0.61 0.19 -0.16 0.00 -0.00 -0.58 -1.48 115.15 113.72 3ag1 h HIS 148 Ca 0.16 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 3ag1 h HIS 148 Cb 0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 3ag1 h HIS 148 CO -0.01 0.07 -0.23 0.45 -0.00 0.00 0.00 177.93 178.21 3ag1 h HIS 149 N 0.24 0.31 -0.28 5.26 -0.00 -0.86 -1.60 115.15 118.22 3ag1 h HIS 149 Ca 0.15 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.33 3ag1 h HIS 149 Cb 0.13 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 3ag1 h HIS 149 CO -0.15 0.51 -0.35 0.77 -0.00 0.00 0.00 177.93 178.71 3ag1 h SER 150 N 0.26 0.80 -0.22 2.45 0.02 -1.01 -1.53 113.55 114.32 3ag1 h SER 150 Ca 0.04 -0.49 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 3ag1 h SER 150 Cb 0.56 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3ag1 h SER 150 CO 0.04 1.13 -0.01 0.25 -1.14 0.00 0.00 176.83 177.10 3ag1 h LEU 151 N 0.48 -0.11 -1.02 5.07 5.85 -0.98 0.52 115.31 125.11 3ag1 h LEU 151 Ca 0.04 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3ag1 h LEU 151 Cb 0.93 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3ag1 h LEU 151 CO 0.08 -0.03 0.06 0.24 -0.34 0.00 0.00 178.44 178.46 3ag1 h MET 152 N 0.05 0.76 -0.02 1.25 2.86 -1.20 0.77 114.93 119.40 3ag1 h MET 152 Ca 0.10 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3ag1 h MET 152 Cb 0.13 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3ag1 h MET 152 CO -0.18 0.73 0.00 0.39 1.06 0.00 0.00 176.91 178.91 3ag1 n GLU 153 N -4.25 1.16 -1.08 1.72 1.02 -0.59 -4.87 120.64 113.75 3ag1 n GLU 153 Ca 0.03 -0.23 -0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3ag1 n GLU 153 Cb 0.26 -1.39 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3ag1 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ag1 n GLY 154 N 0.94 0.39 3.29 0.62 0.00 0.26 -5.00 105.19 105.70 3ag1 n GLY 154 Ca 0.18 -1.07 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 3ag1 n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag1 s ASP 155 N -3.00 6.15 0.18 1.61 -1.08 0.04 -4.93 116.67 115.64 3ag1 s ASP 155 Ca 0.00 -1.97 -0.13 0.00 -0.52 0.00 0.00 52.55 49.94 3ag1 s ASP 155 Cb 0.00 -2.16 0.08 0.00 -1.46 0.00 0.00 42.92 39.38 3ag1 s ASP 155 CO 0.00 -0.77 1.78 -0.09 0.52 0.00 0.00 175.17 176.60 3ag1 h ARG 156 N 8.60 0.84 -0.21 4.34 2.43 -1.95 -2.59 114.38 125.83 3ag1 h ARG 156 Ca -0.22 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3ag1 h ARG 156 Cb 1.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3ag1 h ARG 156 CO 0.95 0.65 -0.21 -0.22 -1.51 0.00 0.00 179.97 179.63 3ag1 h LYS 157 N 0.80 0.52 -0.10 0.20 3.64 -1.97 -2.21 116.57 117.46 3ag1 h LYS 157 Ca 0.21 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3ag1 h LYS 157 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3ag1 h LYS 157 CO -0.03 0.86 -0.17 0.45 -2.27 0.00 0.00 179.45 178.29 3ag1 h HIS 158 N 0.21 0.17 -0.09 1.91 3.86 -1.96 -1.21 115.15 118.04 3ag1 h HIS 158 Ca 0.03 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3ag1 h HIS 158 Cb 0.76 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 3ag1 h HIS 158 CO 0.08 0.33 -0.03 1.98 0.86 0.00 0.00 177.93 181.15 3ag1 h MET 159 N 0.15 0.17 -0.37 2.45 1.85 -1.32 -1.48 114.93 116.38 3ag1 h MET 159 Ca 0.03 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 58.96 3ag1 h MET 159 Cb 0.40 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 3ag1 h MET 159 CO 0.03 0.50 -0.13 -0.07 -0.40 0.00 0.00 176.91 176.83 3ag1 h LEU 160 N -0.18 0.65 -0.21 3.39 3.38 -1.10 -0.28 115.31 120.97 3ag1 h LEU 160 Ca 0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3ag1 h LEU 160 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ag1 h LEU 160 CO 0.01 0.81 -0.04 -0.61 0.09 0.00 0.00 178.44 178.69 3ag1 h GLN 161 N 0.60 0.40 -0.86 1.13 4.15 -1.07 -0.80 115.11 118.66 3ag1 h GLN 161 Ca 0.10 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3ag1 h GLN 161 Cb 0.57 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 3ag1 h GLN 161 CO 0.04 0.64 0.45 0.00 -1.93 0.00 0.00 178.83 178.03 3ag1 h ALA 162 N 0.75 1.11 -0.15 3.38 0.00 -1.07 -0.96 119.26 122.31 3ag1 h ALA 162 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3ag1 h ALA 162 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ag1 h ALA 162 CO 0.02 0.63 -0.46 1.25 0.00 0.00 0.00 179.25 180.69 3ag1 h LEU 163 N 1.21 0.41 -0.24 0.00 5.85 -0.96 -1.47 115.31 120.11 3ag1 h LEU 163 Ca 0.30 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3ag1 h LEU 163 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3ag1 h LEU 163 CO -0.04 0.82 -0.05 0.15 -0.34 0.00 0.00 178.44 178.98 3ag1 h PHE 164 N 0.31 0.52 -0.71 1.25 3.57 -0.60 -1.16 116.94 120.12 3ag1 h PHE 164 Ca 0.02 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.48 3ag1 h PHE 164 Cb 0.94 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 3ag1 h PHE 164 CO 0.03 0.68 0.39 0.82 -2.23 0.00 0.00 178.31 178.00 3ag1 h ILE 165 N 0.21 0.94 0.09 1.41 2.04 -1.07 -1.31 117.51 119.82 3ag1 h ILE 165 Ca 0.06 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3ag1 h ILE 165 Cb 0.51 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3ag1 h ILE 165 CO 0.02 0.13 -0.04 0.74 0.00 0.00 0.00 178.15 179.00 3ag1 h THR 166 N 0.71 0.94 -0.34 -0.27 2.02 -0.91 -1.58 112.91 113.48 3ag1 h THR 166 Ca 0.33 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.48 3ag1 h THR 166 Cb 0.24 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3ag1 h THR 166 CO -0.21 0.02 0.01 0.40 0.37 0.00 0.00 175.52 176.12 3ag1 h ILE 167 N -0.16 0.76 -0.69 3.11 2.04 -0.91 -0.88 117.51 120.79 3ag1 h ILE 167 Ca -0.01 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3ag1 h ILE 167 Cb 0.13 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 3ag1 h ILE 167 CO 0.02 0.02 0.34 0.74 0.00 0.00 0.00 178.15 179.27 3ag1 h THR 168 N 0.11 0.86 -0.40 -0.27 2.02 -1.05 0.20 112.91 114.39 3ag1 h THR 168 Ca 0.17 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3ag1 h THR 168 Cb 0.22 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3ag1 h THR 168 CO -0.27 0.11 -0.02 -0.07 0.37 0.00 0.00 175.52 175.64 3ag1 h LEU 169 N 0.59 0.71 -0.56 2.58 3.38 -0.84 0.20 115.31 121.37 3ag1 h LEU 169 Ca 0.33 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3ag1 h LEU 169 Cb 0.34 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3ag1 h LEU 169 CO -0.26 0.86 0.24 1.23 0.09 0.00 0.00 178.44 180.60 3ag1 h GLY 170 N 0.55 0.78 1.00 0.83 0.00 -0.28 -0.25 103.07 105.71 3ag1 h GLY 170 Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3ag1 h GLY 170 CO 0.02 0.04 0.10 -2.08 0.00 0.00 0.00 176.54 174.63 3ag1 h VAL 171 N 0.45 1.25 -0.96 4.60 2.07 -0.37 -2.39 116.25 120.91 3ag1 h VAL 171 Ca 0.27 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3ag1 h VAL 171 Cb 0.26 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3ag1 h VAL 171 CO -0.24 0.34 0.60 0.22 0.02 0.00 0.00 177.57 178.51 3ag1 h TYR 172 N 0.78 1.24 -0.38 1.57 3.20 -0.11 -1.70 116.97 121.57 3ag1 h TYR 172 Ca 0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ag1 h TYR 172 Cb 0.39 -0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3ag1 h TYR 172 CO 0.03 0.81 0.23 0.35 -1.64 0.00 0.00 178.16 177.94 3ag1 h PHE 173 N 1.31 0.43 -0.80 -3.82 3.57 -0.86 -1.02 116.94 115.75 3ag1 h PHE 173 Ca 0.35 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.89 3ag1 h PHE 173 Cb -0.09 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 3ag1 h PHE 173 CO 0.00 0.26 0.51 1.15 -2.23 0.00 0.00 178.31 178.00 3ag1 h THR 174 N 0.47 1.13 -0.36 4.41 2.02 -0.91 -1.07 112.91 118.60 3ag1 h THR 174 Ca 0.15 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3ag1 h THR 174 Cb -0.01 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 3ag1 h THR 174 CO -0.06 0.18 0.11 -0.07 0.37 0.00 0.00 175.52 176.06 3ag1 h LEU 175 N 1.01 0.52 -0.77 2.58 3.38 -1.22 -0.58 115.31 120.22 3ag1 h LEU 175 Ca 0.32 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3ag1 h LEU 175 Cb -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3ag1 h LEU 175 CO -0.11 0.58 0.33 -0.07 0.09 0.00 0.00 178.44 179.27 3ag1 h LEU 176 N 0.42 1.05 -0.21 1.67 3.38 -1.07 -1.63 115.31 118.93 3ag1 h LEU 176 Ca 0.12 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3ag1 h LEU 176 Cb 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ag1 h LEU 176 CO -0.00 0.92 -0.12 -0.61 0.09 0.00 0.00 178.44 178.71 3ag1 h GLN 177 N 1.11 0.45 -0.66 1.13 5.75 -1.06 -0.92 115.11 120.91 3ag1 h GLN 177 Ca 0.26 -0.21 0.11 0.00 -0.15 0.00 0.00 58.65 58.66 3ag1 h GLN 177 Cb 0.18 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.65 3ag1 h GLN 177 CO -0.03 0.75 0.25 0.00 -2.65 0.00 0.00 178.83 177.15 3ag1 h ALA 178 N 0.69 0.87 -0.57 3.38 0.00 -1.02 -0.09 119.26 122.52 3ag1 h ALA 178 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ag1 h ALA 178 Cb 0.63 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3ag1 h ALA 178 CO 0.03 -0.19 0.32 1.03 0.00 0.00 0.00 179.25 180.45 3ag1 h SER 179 N 0.42 0.71 -0.77 0.00 0.87 -1.07 -1.06 113.55 112.64 3ag1 h SER 179 Ca 0.34 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3ag1 h SER 179 Cb 0.45 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3ag1 h SER 179 CO -0.34 0.58 0.37 -0.33 -0.53 0.00 0.00 176.83 176.58 3ag1 h GLU 180 N 0.77 1.13 -0.04 2.24 4.39 -0.65 -0.37 114.58 122.05 3ag1 h GLU 180 Ca 0.20 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3ag1 h GLU 180 Cb 0.02 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3ag1 h GLU 180 CO -0.03 0.88 0.03 1.88 -1.16 0.00 0.00 179.01 180.60 3ag1 h TYR 181 N 1.12 0.05 -0.78 4.33 -1.99 -0.63 -0.28 116.97 118.80 3ag1 h TYR 181 Ca 0.27 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.00 3ag1 h TYR 181 Cb 0.13 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.80 3ag1 h TYR 181 CO 0.01 0.06 0.48 -0.92 -0.00 0.00 0.00 178.16 177.80 3ag1 h TYR 182 N 0.03 1.01 0.00 4.88 5.03 -0.89 -2.86 116.97 124.18 3ag1 h TYR 182 Ca 0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3ag1 h TYR 182 Cb 0.02 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 37.96 3ag1 h TYR 182 CO -0.07 0.67 0.00 0.39 -1.32 0.00 0.00 178.16 177.83 3ag1 n GLU 183 N -4.50 0.14 -2.33 1.82 -0.58 -0.18 -4.87 120.64 110.14 3ag1 n GLU 183 Ca 0.07 0.17 -0.41 0.00 -0.42 0.00 0.00 57.16 56.58 3ag1 n GLU 183 Cb 0.04 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.20 3ag1 n GLU 183 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ag1 s ALA 184 N -3.08 3.45 -2.00 0.62 0.00 -0.14 -4.92 121.76 115.69 3ag1 s ALA 184 Ca 0.11 1.01 0.23 0.00 0.00 0.00 0.00 51.96 53.31 3ag1 s ALA 184 Cb 0.14 -3.41 1.39 0.00 0.00 0.00 0.00 23.12 21.23 3ag1 s ALA 184 CO 0.52 -0.39 1.82 -0.35 0.00 0.00 0.00 175.76 177.36 3ag1 n PRO 185 N 1.91 0.88 -4.43 0.00 -0.04 -1.26 -4.79 135.00 127.26 3ag1 n PRO 185 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 3ag1 n PRO 185 Cb 0.44 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 3ag1 n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag1 s PHE 186 N -2.00 1.92 0.30 0.54 -0.12 -1.26 -4.97 117.98 112.38 3ag1 s PHE 186 Ca 0.35 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 3ag1 s PHE 186 Cb 0.16 -1.20 -0.02 0.00 -0.63 0.00 0.00 43.02 41.32 3ag1 s PHE 186 CO 0.27 0.07 0.30 0.95 -0.05 0.00 0.00 175.22 176.76 3ag1 s THR 187 N -3.24 0.00 0.45 -4.49 -4.23 -1.26 -5.02 115.64 97.85 3ag1 s THR 187 Ca 0.34 -1.89 0.19 0.00 -1.18 0.00 0.00 61.69 59.15 3ag1 s THR 187 Cb 0.07 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.62 3ag1 s THR 187 CO 0.14 0.00 2.04 -0.29 -0.54 0.00 0.00 174.62 175.96 3ag1 h ILE 188 N 2.24 0.92 -0.33 2.99 2.10 -1.96 -1.77 117.51 121.70 3ag1 h ILE 188 Ca -0.28 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.11 3ag1 h ILE 188 Cb 1.24 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 3ag1 h ILE 188 CO 0.40 0.15 0.00 -1.54 -1.08 0.00 0.00 178.15 176.08 3ag1 n SER 189 N -4.09 2.02 -3.55 2.19 3.41 -1.26 -3.02 113.62 109.33 3ag1 n SER 189 Ca -0.02 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.27 3ag1 n SER 189 Cb 0.23 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3ag1 n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ag1 n ASP 190 N 0.58 7.39 -0.40 4.04 8.00 -0.67 -4.96 116.55 130.54 3ag1 n ASP 190 Ca 0.14 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.58 3ag1 n ASP 190 Cb 0.34 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 3ag1 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ag1 n GLY 191 N 2.24 -1.32 0.28 0.44 0.00 -1.26 -1.95 105.19 103.62 3ag1 n GLY 191 Ca 0.59 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 45.55 3ag1 n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ag1 h VAL 192 N 0.00 0.65 0.52 1.61 3.04 -1.92 -0.91 116.25 119.24 3ag1 h VAL 192 Ca 0.00 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.58 3ag1 h VAL 192 Cb 0.00 1.05 0.01 0.00 -2.01 0.00 0.00 31.29 30.34 3ag1 h VAL 192 CO 0.00 0.02 -0.25 0.22 -1.01 0.00 0.00 177.57 176.55 3ag1 h TYR 193 N 0.00 -0.64 -0.59 3.17 3.20 -1.95 -1.68 116.97 118.48 3ag1 h TYR 193 Ca -0.00 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3ag1 h TYR 193 Cb 0.05 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3ag1 h TYR 193 CO 0.00 -0.32 0.29 0.78 -1.64 0.00 0.00 178.16 177.28 3ag1 h GLY 194 N -0.97 0.88 0.52 1.82 0.00 -1.23 -1.93 103.07 102.17 3ag1 h GLY 194 Ca -0.07 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 46.89 3ag1 h GLY 194 CO 0.12 0.38 -0.22 1.76 0.00 0.00 0.00 176.54 178.58 3ag1 h SER 195 N 0.82 -0.64 -0.19 0.19 0.02 -1.07 -1.28 113.55 111.40 3ag1 h SER 195 Ca 0.21 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 3ag1 h SER 195 Cb 0.07 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3ag1 h SER 195 CO -0.03 -0.29 -0.15 0.71 -1.14 0.00 0.00 176.83 175.92 3ag1 h THR 196 N -0.37 1.33 -0.19 -2.27 1.35 -1.29 -1.84 112.91 109.63 3ag1 h THR 196 Ca 0.05 -1.29 0.05 0.00 -0.55 0.00 0.00 66.41 64.67 3ag1 h THR 196 Cb 0.43 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 3ag1 h THR 196 CO -0.18 0.39 -0.12 0.15 -0.25 0.00 0.00 175.52 175.51 3ag1 h PHE 197 N 0.10 -0.30 0.05 4.73 3.57 -1.35 -1.71 116.94 122.03 3ag1 h PHE 197 Ca 0.03 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.25 3ag1 h PHE 197 Cb 0.68 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 3ag1 h PHE 197 CO 0.08 -0.18 -1.66 0.74 -2.23 0.00 0.00 178.31 175.06 3ag1 h PHE 198 N -0.12 0.21 -0.11 0.41 -1.00 -1.23 -2.68 116.94 112.42 3ag1 h PHE 198 Ca 0.11 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3ag1 h PHE 198 Cb 0.28 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 3ag1 h PHE 198 CO -0.27 1.25 0.00 0.28 -1.61 0.00 0.00 178.31 177.96 3ag1 h VAL 199 N 0.03 1.24 0.73 -0.55 2.07 -1.36 0.24 116.25 118.66 3ag1 h VAL 199 Ca -0.28 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3ag1 h VAL 199 Cb 2.00 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 33.33 3ag1 h VAL 199 CO 0.11 0.22 -0.35 0.00 0.02 0.00 0.00 177.57 177.57 3ag1 h ALA 200 N 0.75 -0.98 -0.06 1.67 0.00 -1.43 0.32 119.26 119.53 3ag1 h ALA 200 Ca 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ag1 h ALA 200 Cb 0.34 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ag1 h ALA 200 CO 0.00 -1.03 -0.17 1.79 0.00 0.00 0.00 179.25 179.84 3ag1 h THR 201 N -1.02 1.16 -0.14 0.00 1.35 -1.61 -1.89 112.91 110.76 3ag1 h THR 201 Ca -0.10 -0.73 -0.03 0.00 -0.55 0.00 0.00 66.41 65.00 3ag1 h THR 201 Cb 0.76 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3ag1 h THR 201 CO 0.16 0.22 -0.02 1.23 -0.25 0.00 0.00 175.52 176.86 3ag1 h GLY 202 N 0.66 0.28 1.21 5.82 0.00 -0.24 0.18 103.07 110.98 3ag1 h GLY 202 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3ag1 h GLY 202 CO 0.02 0.21 0.51 0.74 0.00 0.00 0.00 176.54 178.02 3ag1 h PHE 203 N -0.04 1.02 -0.40 5.60 0.04 -0.95 0.36 116.94 122.57 3ag1 h PHE 203 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3ag1 h PHE 203 Cb 0.43 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3ag1 h PHE 203 CO 0.05 0.66 0.26 1.25 -0.60 0.00 0.00 178.31 179.93 3ag1 h HIS 204 N 1.09 0.50 -0.55 -0.55 2.76 -0.93 -1.70 115.15 115.78 3ag1 h HIS 204 Ca 0.29 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 3ag1 h HIS 204 Cb -0.09 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 3ag1 h HIS 204 CO 0.00 0.32 0.32 0.78 -1.30 0.00 0.00 177.93 178.05 3ag1 h GLY 205 N 0.54 0.80 0.77 5.26 0.00 -0.07 0.25 103.07 110.61 3ag1 h GLY 205 Ca 0.15 -0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.25 3ag1 h GLY 205 CO -0.03 0.33 0.50 -2.00 0.00 0.00 0.00 176.54 175.34 3ag1 h LEU 206 N 0.74 0.50 -0.43 3.11 5.85 -0.73 -2.39 115.31 121.95 3ag1 h LEU 206 Ca 0.20 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 3ag1 h LEU 206 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3ag1 h LEU 206 CO -0.03 0.28 -0.78 0.45 -0.34 0.00 0.00 178.44 178.01 3ag1 h HIS 207 N 0.54 0.21 -0.62 1.25 3.86 0.37 -1.79 115.15 118.97 3ag1 h HIS 207 Ca 0.36 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 3ag1 h HIS 207 Cb 0.66 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3ag1 h HIS 207 CO -0.00 0.87 0.20 0.28 0.86 0.00 0.00 177.93 180.14 3ag1 h VAL 208 N 0.09 1.24 -0.48 2.45 2.07 -0.83 0.15 116.25 120.94 3ag1 h VAL 208 Ca -0.03 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3ag1 h VAL 208 Cb 1.36 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3ag1 h VAL 208 CO 0.11 0.31 0.18 0.40 0.02 0.00 0.00 177.57 178.60 3ag1 h ILE 209 N 0.88 1.21 -0.62 4.57 2.04 -1.28 0.16 117.51 124.46 3ag1 h ILE 209 Ca 0.20 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3ag1 h ILE 209 Cb 0.27 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3ag1 h ILE 209 CO -0.01 0.25 0.30 0.40 0.00 0.00 0.00 178.15 179.09 3ag1 h ILE 210 N 0.63 1.22 -0.62 -0.67 2.04 -1.24 -0.67 117.51 118.20 3ag1 h ILE 210 Ca 0.16 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3ag1 h ILE 210 Cb 0.21 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3ag1 h ILE 210 CO -0.01 0.25 0.31 1.23 0.00 0.00 0.00 178.15 179.93 3ag1 h GLY 211 N 0.85 0.95 0.92 5.37 0.00 -0.52 -0.07 103.07 110.57 3ag1 h GLY 211 Ca 0.21 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3ag1 h GLY 211 CO -0.03 0.44 0.06 1.76 0.00 0.00 0.00 176.54 178.78 3ag1 h SER 212 N 0.85 0.58 -0.44 0.19 0.02 -0.53 0.12 113.55 114.34 3ag1 h SER 212 Ca 0.21 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3ag1 h SER 212 Cb 0.10 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ag1 h SER 212 CO -0.03 0.69 0.18 0.74 -1.14 0.00 0.00 176.83 177.27 3ag1 h THR 213 N 0.45 1.20 -0.65 -2.27 2.02 -0.92 0.15 112.91 112.88 3ag1 h THR 213 Ca 0.11 -0.62 0.09 0.00 0.77 0.00 0.00 66.41 66.77 3ag1 h THR 213 Cb 0.35 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 3ag1 h THR 213 CO 0.01 0.23 0.28 0.15 0.37 0.00 0.00 175.52 176.56 3ag1 h PHE 214 N 0.57 0.50 -0.20 3.16 3.04 -0.77 -0.50 116.94 122.74 3ag1 h PHE 214 Ca 0.15 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.05 3ag1 h PHE 214 Cb 0.19 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 3ag1 h PHE 214 CO 0.00 0.15 -0.23 -0.07 -2.02 0.00 0.00 178.31 176.14 3ag1 h LEU 215 N 0.49 0.35 -0.63 0.59 3.38 -0.10 -1.75 115.31 117.63 3ag1 h LEU 215 Ca 0.33 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3ag1 h LEU 215 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ag1 h LEU 215 CO -0.29 0.59 -0.18 0.40 0.09 0.00 0.00 178.44 179.04 3ag1 h ILE 216 N 0.32 1.27 -0.20 1.22 2.04 0.31 0.78 117.51 123.25 3ag1 h ILE 216 Ca 0.05 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3ag1 h ILE 216 Cb 0.58 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3ag1 h ILE 216 CO 0.04 0.45 0.09 0.58 0.00 0.00 0.00 178.15 179.31 3ag1 h VAL 217 N 0.77 0.98 -0.79 1.67 2.07 -0.96 -2.11 116.25 117.89 3ag1 h VAL 217 Ca 0.11 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3ag1 h VAL 217 Cb 0.72 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3ag1 h VAL 217 CO 0.06 0.04 0.52 0.00 0.02 0.00 0.00 177.57 178.20 3ag1 h PHE 219 N 0.98 -0.12 -0.42 0.00 3.57 -0.32 -0.24 116.94 120.38 3ag1 h PHE 219 Ca 0.31 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.71 3ag1 h PHE 219 Cb 0.03 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3ag1 h PHE 219 CO -0.00 -0.09 -0.22 0.74 -2.23 0.00 0.00 178.31 176.52 3ag1 h PHE 220 N -0.04 0.97 -0.40 0.41 0.04 -1.13 -0.01 116.94 116.77 3ag1 h PHE 220 Ca 0.07 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 3ag1 h PHE 220 Cb 0.14 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3ag1 h PHE 220 CO -0.18 0.98 0.17 0.00 -0.60 0.00 0.00 178.31 178.68 3ag1 h ARG 221 N 0.74 0.57 -0.25 1.51 3.08 -1.15 -2.36 114.38 116.52 3ag1 h ARG 221 Ca 0.10 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3ag1 h ARG 221 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3ag1 h ARG 221 CO 0.06 0.47 -0.46 0.37 -1.07 0.00 0.00 179.97 179.34 3ag1 h GLN 222 N 0.57 0.75 -0.87 0.04 5.75 -0.61 -0.90 115.11 119.84 3ag1 h GLN 222 Ca 0.14 -0.48 0.15 0.00 -0.15 0.00 0.00 58.65 58.31 3ag1 h GLN 222 Cb 0.11 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.65 3ag1 h GLN 222 CO -0.02 1.10 0.57 -0.07 -2.65 0.00 0.00 178.83 177.76 3ag1 h LEU 223 N 0.49 0.59 -2.44 -2.39 3.38 -0.65 -0.54 115.31 113.75 3ag1 h LEU 223 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ag1 h LEU 223 Cb 1.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3ag1 h LEU 223 CO 0.10 0.29 0.00 0.29 0.09 0.00 0.00 178.44 179.22 3ag1 n LYS 224 N -4.55 3.03 -1.81 1.13 5.02 -0.92 -4.93 118.16 115.13 3ag1 n LYS 224 Ca 0.17 -2.18 -0.11 0.00 -2.02 0.00 0.00 58.31 54.17 3ag1 n LYS 224 Cb 0.50 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3ag1 n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ag1 n PHE 225 N 0.85 -0.28 -0.22 2.13 3.01 -0.21 -4.92 117.46 117.82 3ag1 n PHE 225 Ca 0.20 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.60 3ag1 n PHE 225 Cb 0.69 -2.32 0.10 0.00 -0.01 0.00 0.00 39.48 37.94 3ag1 n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ag1 h HIS 226 N 0.00 1.08 -3.32 1.38 3.86 -1.38 -3.44 115.15 113.32 3ag1 h HIS 226 Ca -0.24 -0.11 -0.56 0.00 -1.16 0.00 0.00 60.37 58.30 3ag1 h HIS 226 Cb 0.97 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 3ag1 h HIS 226 CO 0.30 0.87 0.03 -0.06 0.86 0.00 0.00 177.93 179.92 3ag1 s PHE 227 N -5.31 3.80 0.52 2.45 0.08 -1.26 -4.99 117.98 113.27 3ag1 s PHE 227 Ca -0.11 1.35 0.07 0.00 0.12 0.00 0.00 56.93 58.35 3ag1 s PHE 227 Cb 0.15 -2.60 0.05 0.00 -0.57 0.00 0.00 43.02 40.05 3ag1 s PHE 227 CO 0.83 0.51 0.71 0.95 -0.10 0.00 0.00 175.22 178.12 3ag1 s THR 228 N -0.87 2.60 -0.14 0.64 -4.23 -1.00 -4.98 115.64 107.67 3ag1 s THR 228 Ca 0.31 -0.91 0.30 0.00 -1.18 0.00 0.00 61.69 60.20 3ag1 s THR 228 Cb -0.20 -2.68 0.33 0.00 1.34 0.00 0.00 72.50 71.29 3ag1 s THR 228 CO 0.20 0.00 1.87 0.77 -0.54 0.00 0.00 174.62 176.93 3ag1 h SER 229 N 0.30 0.00 0.00 3.99 4.64 -1.89 -2.94 113.55 117.64 3ag1 h SER 229 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ag1 h SER 229 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ag1 h SER 229 CO 0.44 0.00 -0.97 0.59 -0.87 0.00 0.00 176.83 176.03 3ag1 n ASN 230 N -2.73 1.88 -3.85 4.97 3.02 -1.26 -4.39 115.26 112.90 3ag1 n ASN 230 Ca 0.01 -0.30 -0.30 0.00 -0.03 0.00 0.00 54.58 53.96 3ag1 n ASN 230 Cb 0.27 1.23 -0.15 0.00 -0.61 0.00 0.00 39.78 40.51 3ag1 n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ag1 s HIS 231 N -2.26 2.23 -0.40 3.10 2.46 -1.11 -4.92 115.29 114.39 3ag1 s HIS 231 Ca -0.00 -1.87 0.10 0.00 0.47 0.00 0.00 55.06 53.75 3ag1 s HIS 231 Cb 0.06 -1.81 0.38 0.00 -0.13 0.00 0.00 32.58 31.08 3ag1 s HIS 231 CO 0.36 -0.82 1.22 -2.39 -2.47 0.00 0.00 174.74 170.63 3ag1 n HIS 232 N 4.70 -1.99 0.18 3.88 1.44 -1.26 -2.37 115.22 119.81 3ag1 n HIS 232 Ca -0.05 -2.18 0.04 0.00 -2.01 0.00 0.00 57.72 53.52 3ag1 n HIS 232 Cb 0.43 1.26 0.44 0.00 0.12 0.00 0.00 29.99 32.25 3ag1 n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3ag1 h PHE 233 N 2.43 0.09 -0.87 -1.40 3.04 -1.97 -1.65 116.94 116.61 3ag1 h PHE 233 Ca -0.19 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 61.86 3ag1 h PHE 233 Cb 1.22 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.62 3ag1 h PHE 233 CO 0.24 0.27 0.51 0.78 -2.02 0.00 0.00 178.31 178.09 3ag1 h GLY 234 N 0.69 1.39 1.06 2.40 0.00 -1.99 0.13 103.07 106.76 3ag1 h GLY 234 Ca 0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3ag1 h GLY 234 CO 0.03 0.11 -0.19 -2.75 0.00 0.00 0.00 176.54 173.74 3ag1 h PHE 235 N 0.81 1.05 -0.17 5.60 3.57 -1.73 -2.10 116.94 123.97 3ag1 h PHE 235 Ca 0.43 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3ag1 h PHE 235 Cb 0.45 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3ag1 h PHE 235 CO -0.05 1.05 0.07 0.93 -2.23 0.00 0.00 178.31 178.07 3ag1 h GLU 236 N 0.76 0.26 -0.64 1.11 5.08 -0.63 0.77 114.58 121.27 3ag1 h GLU 236 Ca 0.10 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3ag1 h GLU 236 Cb 0.75 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 3ag1 h GLU 236 CO 0.06 0.33 0.36 0.00 -1.00 0.00 0.00 179.01 178.76 3ag1 h ALA 237 N 0.91 0.85 -0.24 3.43 0.00 -0.81 -1.28 119.26 122.12 3ag1 h ALA 237 Ca 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ag1 h ALA 237 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ag1 h ALA 237 CO -0.00 0.03 -0.15 0.00 0.00 0.00 0.00 179.25 179.13 3ag1 h ALA 238 N 1.33 1.29 -0.23 0.00 0.00 -0.82 -1.49 119.26 119.35 3ag1 h ALA 238 Ca 0.29 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3ag1 h ALA 238 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ag1 h ALA 238 CO -0.17 0.47 -0.64 0.00 0.00 0.00 0.00 179.25 178.91 3ag1 h ALA 239 N 1.46 0.43 -0.51 0.00 0.00 -0.26 -1.23 119.26 119.15 3ag1 h ALA 239 Ca 0.07 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3ag1 h ALA 239 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ag1 h ALA 239 CO 0.03 0.69 0.05 -1.49 0.00 0.00 0.00 179.25 178.53 3ag1 h TRP 240 N 0.60 0.93 -0.75 0.00 6.55 -1.02 -1.53 115.95 120.74 3ag1 h TRP 240 Ca -0.01 -0.14 -0.04 0.00 0.95 0.00 0.00 58.89 59.64 3ag1 h TRP 240 Cb 1.25 -0.25 -0.03 0.00 -0.86 0.00 0.00 29.16 29.27 3ag1 h TRP 240 CO 0.08 0.85 0.29 -0.92 -1.05 0.00 0.00 178.44 177.69 3ag1 h TYR 241 N 0.74 1.15 -0.90 0.49 3.20 -1.24 -0.10 116.97 120.32 3ag1 h TYR 241 Ca 0.15 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3ag1 h TYR 241 Cb 0.45 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3ag1 h TYR 241 CO 0.03 0.88 0.55 2.35 -1.64 0.00 0.00 178.16 180.33 3ag1 h TRP 242 N 1.08 1.17 -0.18 -3.82 2.91 -0.87 -0.10 115.95 116.14 3ag1 h TRP 242 Ca 0.25 0.00 -0.16 0.00 1.13 0.00 0.00 58.89 60.12 3ag1 h TRP 242 Cb 0.22 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 28.49 3ag1 h TRP 242 CO 0.02 0.77 -0.51 0.45 -1.03 0.00 0.00 178.44 178.14 3ag1 h HIS 243 N 1.23 0.86 -0.59 2.65 3.86 -0.88 -1.51 115.15 120.76 3ag1 h HIS 243 Ca 0.32 -0.34 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 3ag1 h HIS 243 Cb -0.07 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 3ag1 h HIS 243 CO 0.00 1.12 0.25 0.35 0.86 0.00 0.00 177.93 180.52 3ag1 h PHE 244 N 0.34 0.44 -0.57 2.45 3.04 -0.81 -1.29 116.94 120.55 3ag1 h PHE 244 Ca -0.01 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 3ag1 h PHE 244 Cb 1.13 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.50 3ag1 h PHE 244 CO 0.09 0.15 0.14 0.28 -2.02 0.00 0.00 178.31 176.95 3ag1 h VAL 245 N 0.46 1.23 -0.37 1.41 2.07 -0.38 -1.42 116.25 119.24 3ag1 h VAL 245 Ca 0.29 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ag1 h VAL 245 Cb 0.30 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3ag1 h VAL 245 CO -0.26 0.32 0.20 -0.78 0.02 0.00 0.00 177.57 177.06 3ag1 h ASP 246 N 0.85 0.47 -0.09 0.57 1.82 -0.74 -2.50 116.42 116.81 3ag1 h ASP 246 Ca 0.18 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 3ag1 h ASP 246 Cb 0.31 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 3ag1 h ASP 246 CO -0.00 0.44 -0.02 0.58 -1.61 0.00 0.00 179.24 178.63 3ag1 h VAL 247 N 0.47 1.29 -0.88 2.25 2.07 -0.93 -1.63 116.25 118.91 3ag1 h VAL 247 Ca 0.13 -0.95 0.17 0.00 0.82 0.00 0.00 66.70 66.87 3ag1 h VAL 247 Cb 0.08 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 3ag1 h VAL 247 CO -0.02 0.27 0.57 0.58 0.02 0.00 0.00 177.57 178.99 3ag1 h VAL 248 N -0.16 0.76 -0.41 2.57 2.07 -1.29 -1.66 116.25 118.14 3ag1 h VAL 248 Ca 0.02 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3ag1 h VAL 248 Cb 0.43 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3ag1 h VAL 248 CO 0.01 0.10 0.12 -0.25 0.02 0.00 0.00 177.57 177.56 3ag1 h TRP 249 N 0.54 0.66 -0.65 1.57 2.91 -0.86 -1.20 115.95 118.93 3ag1 h TRP 249 Ca 0.45 -0.07 0.05 0.00 1.13 0.00 0.00 58.89 60.45 3ag1 h TRP 249 Cb 0.92 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.33 3ag1 h TRP 249 CO -0.00 0.62 0.37 -0.07 -1.03 0.00 0.00 178.44 178.33 3ag1 h LEU 250 N 0.51 0.57 -0.49 0.65 3.38 -0.44 0.40 115.31 119.89 3ag1 h LEU 250 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ag1 h LEU 250 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ag1 h LEU 250 CO -0.00 0.38 0.18 -0.26 0.09 0.00 0.00 178.44 178.82 3ag1 h PHE 251 N 0.70 0.76 -0.93 1.13 -1.00 -1.17 -1.31 116.94 115.11 3ag1 h PHE 251 Ca 0.28 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 3ag1 h PHE 251 Cb 0.13 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.42 3ag1 h PHE 251 CO -0.07 0.65 0.55 -0.07 -1.61 0.00 0.00 178.31 177.76 3ag1 h LEU 252 N 0.65 1.12 0.28 1.54 3.38 -0.45 -0.34 115.31 121.49 3ag1 h LEU 252 Ca 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ag1 h LEU 252 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ag1 h LEU 252 CO -0.01 0.86 -0.14 0.22 0.09 0.00 0.00 178.44 179.47 3ag1 h TYR 253 N 1.28 -0.35 -0.56 1.13 3.20 -0.01 0.51 116.97 122.17 3ag1 h TYR 253 Ca 0.33 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.21 3ag1 h TYR 253 Cb -0.05 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3ag1 h TYR 253 CO 0.01 -0.07 0.36 0.28 -1.64 0.00 0.00 178.16 177.10 3ag1 h VAL 254 N -0.62 1.12 0.11 1.81 2.07 -1.29 -1.36 116.25 118.10 3ag1 h VAL 254 Ca -0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ag1 h VAL 254 Cb 0.44 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3ag1 h VAL 254 CO 0.06 0.13 -0.05 0.28 0.02 0.00 0.00 177.57 178.01 3ag1 h SER 255 N 0.73 -0.13 0.06 0.57 0.02 -0.92 -0.10 113.55 113.79 3ag1 h SER 255 Ca 0.21 -0.38 -0.30 0.00 -0.84 0.00 0.00 61.79 60.47 3ag1 h SER 255 Cb -0.06 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3ag1 h SER 255 CO -0.06 0.49 -1.64 -0.38 -1.14 0.00 0.00 176.83 174.10 3ag1 n ILE 256 N -4.85 1.66 0.06 3.27 5.41 0.16 -1.19 119.36 123.89 3ag1 n ILE 256 Ca -0.07 -0.34 -0.10 0.00 1.00 0.00 0.00 62.75 63.24 3ag1 n ILE 256 Cb 0.25 -1.89 -0.13 0.00 -0.71 0.00 0.00 39.64 37.16 3ag1 n ILE 256 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3ag1 h TYR 257 N -0.47 0.13 0.00 1.39 0.05 -1.33 -3.28 116.97 113.46 3ag1 h TYR 257 Ca -0.39 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.29 3ag1 h TYR 257 Cb 1.67 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.41 3ag1 h TYR 257 CO 0.09 1.08 -0.42 1.87 -1.05 0.00 0.00 178.16 179.73 3ag1 n TRP 258 N -3.37 0.00 -0.08 4.88 -0.00 -0.55 -4.11 117.44 114.22 3ag1 n TRP 258 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.40 3ag1 n TRP 258 Cb 0.97 -0.21 0.14 0.00 -0.00 0.00 0.00 31.31 32.22 3ag1 n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3ag1 h TRP 259 N -0.42 0.79 -0.15 5.87 7.01 -1.10 -2.87 115.95 125.08 3ag1 h TRP 259 Ca 0.00 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 60.85 3ag1 h TRP 259 Cb 0.42 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3ag1 h TRP 259 CO -0.18 0.81 0.00 0.41 -2.79 0.00 0.00 178.44 176.69 3ag1 n GLY 260 N -0.44 1.61 0.89 2.65 0.00 -0.33 -5.02 105.19 104.55 3ag1 n GLY 260 Ca 0.01 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3ag1 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18