#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 3.97 -0.20 1.57 -2.07 -1.26 -4.97 119.66 116.71 3ag1 s GLN 4 Ca 0.00 0.79 0.14 0.00 -1.82 0.00 0.00 55.36 54.47 3ag1 s GLN 4 Cb 0.00 -2.28 0.44 0.00 -1.09 0.00 0.00 33.01 30.08 3ag1 s GLN 4 CO 0.00 -0.06 1.19 0.25 -1.32 0.00 0.00 175.29 175.35 3ag1 n THR 5 N -1.04 1.79 -3.99 3.63 -2.24 -1.26 -4.99 114.28 106.18 3ag1 n THR 5 Ca 0.05 -3.04 -0.23 0.00 -2.27 0.00 0.00 64.05 58.55 3ag1 n THR 5 Cb 0.54 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.79 2.67 -1.72 4.78 0.00 -1.26 -5.06 115.29 111.90 3ag1 s HIS 6 Ca 0.39 -0.50 0.17 0.00 -3.00 0.00 0.00 55.06 52.13 3ag1 s HIS 6 Cb 0.38 -1.90 0.55 0.00 -4.00 0.00 0.00 32.58 27.61 3ag1 s HIS 6 CO -0.06 0.17 1.45 0.00 -1.00 0.00 0.00 174.74 175.30 3ag1 n ALA 7 N -1.28 2.61 -2.04 -1.38 0.00 -1.26 -5.01 120.51 112.16 3ag1 n ALA 7 Ca -0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 3ag1 n ALA 7 Cb 0.63 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.41 2.84 -0.25 0.00 2.02 -1.26 -4.51 117.35 114.78 3ag1 s TYR 8 Ca 0.41 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.71 3ag1 s TYR 8 Cb 0.23 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3ag1 s TYR 8 CO 0.25 -0.47 0.10 -1.58 -1.57 0.00 0.00 175.55 172.28 3ag1 s HIS 9 N -2.41 3.14 -0.43 2.71 5.65 -1.26 -5.03 115.29 117.66 3ag1 s HIS 9 Ca 0.55 -0.21 -0.22 0.00 0.25 0.00 0.00 55.06 55.42 3ag1 s HIS 9 Cb -0.10 -2.26 0.02 0.00 -1.18 0.00 0.00 32.58 29.06 3ag1 s HIS 9 CO 0.34 -0.24 0.74 -1.64 -0.65 0.00 0.00 174.74 173.28 3ag1 s MET 10 N 1.51 3.45 0.38 2.88 -1.94 -1.26 -5.05 119.30 119.26 3ag1 s MET 10 Ca 0.06 -0.10 -0.24 0.00 -1.71 0.00 0.00 55.69 53.70 3ag1 s MET 10 Cb -0.15 -3.91 -0.10 0.00 2.01 0.00 0.00 34.83 32.68 3ag1 s MET 10 CO 0.05 -1.02 1.00 0.08 -0.01 0.00 0.00 175.02 175.12 3ag1 s VAL 11 N 3.11 3.98 0.49 -6.03 1.01 -1.26 -5.03 120.40 116.67 3ag1 s VAL 11 Ca 0.28 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 3ag1 s VAL 11 Cb -0.13 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 3ag1 s VAL 11 CO 0.20 -0.01 1.09 0.20 0.00 0.00 0.00 175.10 176.58 3ag1 s ASN 12 N -1.69 6.15 0.27 3.32 0.02 -1.26 -4.92 114.94 116.83 3ag1 s ASN 12 Ca 0.56 2.08 -0.30 0.00 -1.02 0.00 0.00 52.86 54.19 3ag1 s ASN 12 Cb -0.19 -2.58 -0.13 0.00 0.02 0.00 0.00 41.25 38.37 3ag1 s ASN 12 CO 0.24 -0.92 1.34 -2.65 0.02 0.00 0.00 177.10 175.13 3ag1 n PRO 13 N -0.91 1.98 -4.28 -0.60 -0.02 -1.26 -4.97 135.00 124.95 3ag1 n PRO 13 Ca 0.09 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 62.09 3ag1 n PRO 13 Cb 0.51 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.05 0.93 0.05 2.55 0.15 -1.26 -5.03 113.70 111.13 3ag1 s SER 14 Ca 0.64 -0.14 0.28 0.00 0.70 0.00 0.00 55.95 57.43 3ag1 s SER 14 Cb -0.64 -0.20 1.13 0.00 -1.71 0.00 0.00 66.02 64.61 3ag1 s SER 14 CO 0.54 0.06 1.88 -0.81 1.20 0.00 0.00 173.24 176.11 3ag1 n PRO 15 N 3.18 0.06 -0.14 5.44 -0.04 -1.26 -4.50 135.00 137.73 3ag1 n PRO 15 Ca -0.16 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 3ag1 n PRO 15 Cb 0.56 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3ag1 n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ag1 h TRP 16 N 0.00 1.11 -0.75 0.54 -0.00 -1.96 -1.91 115.95 112.98 3ag1 h TRP 16 Ca 0.00 -0.29 0.14 0.00 -0.00 0.00 0.00 58.89 58.74 3ag1 h TRP 16 Cb 0.54 -0.25 -0.14 0.00 -0.00 0.00 0.00 29.16 29.31 3ag1 h TRP 16 CO 0.00 1.11 -0.25 -1.35 -0.00 0.00 0.00 178.44 177.95 3ag1 h PRO 17 N 0.79 -0.04 -0.03 0.49 0.11 -1.98 0.21 132.00 131.55 3ag1 h PRO 17 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3ag1 h PRO 17 Cb 0.84 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3ag1 h PRO 17 CO 0.07 -0.03 -0.01 1.25 -0.21 0.00 0.00 178.00 179.08 3ag1 h LEU 18 N -0.04 0.06 -1.27 2.35 5.85 -1.81 -0.63 115.31 119.81 3ag1 h LEU 18 Ca 0.34 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3ag1 h LEU 18 Cb 0.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3ag1 h LEU 18 CO -0.79 0.42 -0.31 0.71 -0.34 0.00 0.00 178.44 178.13 3ag1 h THR 19 N -0.30 1.24 -0.10 1.05 1.35 -1.11 0.98 112.91 116.02 3ag1 h THR 19 Ca 0.01 -1.16 -0.16 0.00 -0.55 0.00 0.00 66.41 64.55 3ag1 h THR 19 Cb 0.39 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3ag1 h THR 19 CO 0.00 0.34 -0.64 1.23 -0.25 0.00 0.00 175.52 176.20 3ag1 h GLY 20 N 1.00 0.43 0.93 5.82 0.00 -0.46 -0.78 103.07 110.01 3ag1 h GLY 20 Ca 0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 3ag1 h GLY 20 CO 0.04 0.49 -0.24 0.00 0.00 0.00 0.00 176.54 176.84 3ag1 h ALA 21 N 1.03 0.39 -0.10 3.60 0.00 -0.51 -1.76 119.26 121.91 3ag1 h ALA 21 Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3ag1 h ALA 21 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ag1 h ALA 21 CO 0.11 0.36 -0.27 -0.07 0.00 0.00 0.00 179.25 179.38 3ag1 h LEU 22 N 0.36 0.18 -0.91 0.00 3.38 -0.83 -2.18 115.31 115.31 3ag1 h LEU 22 Ca 0.05 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3ag1 h LEU 22 Cb 0.80 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ag1 h LEU 22 CO 0.06 0.45 -0.47 0.77 0.09 0.00 0.00 178.44 179.34 3ag1 h SER 23 N 0.16 0.00 -0.24 -0.43 4.64 -0.87 -1.43 113.55 115.39 3ag1 h SER 23 Ca 0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3ag1 h SER 23 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3ag1 h SER 23 CO 0.04 0.47 -0.08 0.00 -0.87 0.00 0.00 176.83 176.39 3ag1 h ALA 24 N 1.53 0.33 -0.63 5.18 0.00 -0.90 -0.90 119.26 123.87 3ag1 h ALA 24 Ca -0.00 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.75 3ag1 h ALA 24 Cb 0.94 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 3ag1 h ALA 24 CO 0.06 0.15 0.13 1.25 0.00 0.00 0.00 179.25 180.84 3ag1 h LEU 25 N 0.20 -0.01 -0.44 0.00 5.85 -1.02 -1.57 115.31 118.31 3ag1 h LEU 25 Ca 0.06 0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 3ag1 h LEU 25 Cb 0.56 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3ag1 h LEU 25 CO 0.03 -0.01 -0.73 -0.07 -0.34 0.00 0.00 178.44 177.33 3ag1 h LEU 26 N 0.26 0.40 -0.15 2.25 3.38 -1.13 -0.70 115.31 119.62 3ag1 h LEU 26 Ca 0.34 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3ag1 h LEU 26 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ag1 h LEU 26 CO -0.43 0.99 -0.32 0.24 0.09 0.00 0.00 178.44 179.01 3ag1 h MET 27 N 0.22 0.48 -0.12 1.13 2.86 -0.98 0.36 114.93 118.89 3ag1 h MET 27 Ca -0.03 -0.32 -0.14 0.00 -2.06 0.00 0.00 59.70 57.15 3ag1 h MET 27 Cb 1.29 0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.00 3ag1 h MET 27 CO 0.12 0.93 -0.48 1.79 1.06 0.00 0.00 176.91 180.33 3ag1 h THR 28 N 0.10 1.36 -0.83 2.22 1.35 -1.24 0.22 112.91 116.08 3ag1 h THR 28 Ca 0.00 -1.78 0.13 0.00 -0.55 0.00 0.00 66.41 64.21 3ag1 h THR 28 Cb 0.92 2.12 -0.09 0.00 -1.73 0.00 0.00 68.15 69.38 3ag1 h THR 28 CO 0.07 0.54 0.44 0.28 -0.25 0.00 0.00 175.52 176.60 3ag1 h SER 29 N 0.16 0.56 -0.04 5.36 0.02 -1.23 -2.00 113.55 116.38 3ag1 h SER 29 Ca -0.03 0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 3ag1 h SER 29 Cb 1.12 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3ag1 h SER 29 CO 0.10 0.27 -0.59 1.23 -1.14 0.00 0.00 176.83 176.70 3ag1 h GLY 30 N 0.66 0.71 1.75 -3.77 0.00 -0.66 -1.20 103.07 100.56 3ag1 h GLY 30 Ca 0.44 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 3ag1 h GLY 30 CO -0.33 0.77 -0.20 1.41 0.00 0.00 0.00 176.54 178.19 3ag1 h LEU 31 N 0.48 0.29 -0.27 3.11 3.38 -0.76 0.98 115.31 122.53 3ag1 h LEU 31 Ca -0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3ag1 h LEU 31 Cb 1.16 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ag1 h LEU 31 CO 0.12 0.51 -0.23 0.74 0.09 0.00 0.00 178.44 179.67 3ag1 h THR 32 N 0.28 1.31 -0.65 0.22 2.02 -0.98 -0.45 112.91 114.65 3ag1 h THR 32 Ca 0.05 -1.38 0.08 0.00 0.77 0.00 0.00 66.41 65.93 3ag1 h THR 32 Cb 0.52 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 3ag1 h THR 32 CO 0.03 0.43 0.31 0.24 0.37 0.00 0.00 175.52 176.91 3ag1 h MET 33 N 0.35 0.54 0.12 6.66 2.86 -0.87 -0.81 114.93 123.78 3ag1 h MET 33 Ca 0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3ag1 h MET 33 Cb 0.78 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3ag1 h MET 33 CO 0.06 0.36 -0.06 2.35 1.06 0.00 0.00 176.91 180.68 3ag1 h TRP 34 N 0.56 -0.15 -0.08 -0.22 7.01 -0.55 0.19 115.95 122.71 3ag1 h TRP 34 Ca 0.31 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.27 3ag1 h TRP 34 Cb 0.31 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 3ag1 h TRP 34 CO -0.12 0.20 -0.14 0.74 -2.79 0.00 0.00 178.44 176.33 3ag1 h PHE 35 N -0.52 0.12 0.00 2.65 0.04 -1.01 -3.31 116.94 114.92 3ag1 h PHE 35 Ca -0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ag1 h PHE 35 Cb 0.41 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3ag1 h PHE 35 CO 0.04 0.26 -0.77 0.72 -0.60 0.00 0.00 178.31 177.96 3ag1 n HIS 36 N -4.31 0.00 -2.40 -0.55 8.25 -0.32 -4.77 115.22 111.12 3ag1 n HIS 36 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 3ag1 n HIS 36 Cb 0.24 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.40 0.00 -0.47 4.41 3.72 0.64 -5.03 117.46 119.33 3ag1 n PHE 37 Ca -0.00 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 3ag1 n PHE 37 Cb 0.03 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.39 0.00 -3.64 4.37 2.85 -0.98 -4.83 115.26 113.41 3ag1 n ASN 38 Ca 0.05 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.44 3ag1 n ASN 38 Cb 1.07 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 42.02 3ag1 n ASN 38 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3ag1 s SER 39 N 0.00 -0.70 0.00 1.20 0.15 -1.17 -4.97 113.70 108.21 3ag1 s SER 39 Ca 0.00 1.21 0.23 0.00 0.70 0.00 0.00 55.95 58.08 3ag1 s SER 39 Cb 0.00 1.27 0.48 0.00 -1.71 0.00 0.00 66.02 66.05 3ag1 s SER 39 CO 0.00 -0.20 1.43 0.23 1.20 0.00 0.00 173.24 175.90 3ag1 n MET 40 N 3.43 2.56 0.26 5.44 2.81 -1.26 -2.61 117.12 127.74 3ag1 n MET 40 Ca -0.17 -2.38 -0.15 0.00 -1.81 0.00 0.00 57.70 53.19 3ag1 n MET 40 Cb 0.57 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 31.48 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 4.35 0.47 -0.52 2.03 2.02 -1.96 -1.13 112.91 118.17 3ag1 h THR 41 Ca 0.00 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3ag1 h THR 41 Cb 0.98 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3ag1 h THR 41 CO 0.00 0.05 0.30 -0.07 0.37 0.00 0.00 175.52 176.17 3ag1 h LEU 42 N -0.85 0.48 -0.29 2.58 3.38 -1.89 -1.36 115.31 117.36 3ag1 h LEU 42 Ca -0.07 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ag1 h LEU 42 Cb 0.58 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 3ag1 h LEU 42 CO 0.11 0.34 -0.19 0.25 0.09 0.00 0.00 178.44 179.04 3ag1 h LEU 43 N 0.60 -0.61 -0.33 1.67 5.85 -1.69 0.39 115.31 121.20 3ag1 h LEU 43 Ca 0.21 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.09 3ag1 h LEU 43 Cb 0.05 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3ag1 h LEU 43 CO -0.11 -0.22 0.15 0.24 -0.34 0.00 0.00 178.44 178.16 3ag1 h MET 44 N -0.16 0.30 -0.25 1.25 2.86 -0.67 -0.68 114.93 117.58 3ag1 h MET 44 Ca 0.15 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3ag1 h MET 44 Cb 0.39 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3ag1 h MET 44 CO -0.39 0.20 0.13 0.82 1.06 0.00 0.00 176.91 178.74 3ag1 h ILE 45 N 0.31 1.01 -0.65 -1.22 2.04 -0.87 -1.97 117.51 116.16 3ag1 h ILE 45 Ca 0.14 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3ag1 h ILE 45 Cb 0.08 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3ag1 h ILE 45 CO -0.12 0.05 0.41 1.23 0.00 0.00 0.00 178.15 179.73 3ag1 h GLY 46 N 0.28 0.92 0.88 5.37 0.00 -0.44 -0.80 103.07 109.27 3ag1 h GLY 46 Ca 0.10 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3ag1 h GLY 46 CO -0.06 0.35 0.58 1.41 0.00 0.00 0.00 176.54 178.82 3ag1 h LEU 47 N 0.88 0.96 0.20 3.11 3.38 -1.07 -1.06 115.31 121.71 3ag1 h LEU 47 Ca 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3ag1 h LEU 47 Cb -0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3ag1 h LEU 47 CO -0.05 0.66 -0.10 0.74 0.09 0.00 0.00 178.44 179.79 3ag1 h THR 48 N 1.12 0.82 0.00 0.22 2.02 -0.93 -1.76 112.91 114.41 3ag1 h THR 48 Ca 0.36 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 3ag1 h THR 48 Cb 0.01 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3ag1 h THR 48 CO -0.12 0.02 -0.29 0.71 0.37 0.00 0.00 175.52 176.21 3ag1 h THR 49 N -0.31 1.03 -0.12 3.16 1.35 -0.97 -1.95 112.91 115.09 3ag1 h THR 49 Ca -0.03 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 3ag1 h THR 49 Cb 0.24 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3ag1 h THR 49 CO 0.04 0.29 -0.05 -1.13 -0.25 0.00 0.00 175.52 174.42 3ag1 h ASN 50 N 0.00 0.26 -0.54 5.36 -1.24 -1.11 -0.00 115.58 118.31 3ag1 h ASN 50 Ca -0.00 -0.40 -0.01 0.00 0.71 0.00 0.00 56.30 56.59 3ag1 h ASN 50 Cb 0.58 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 3ag1 h ASN 50 CO 0.04 0.61 0.29 0.24 -1.29 0.00 0.00 177.43 177.31 3ag1 h MET 51 N -0.09 0.76 -0.56 6.67 2.86 -1.10 -1.72 114.93 121.75 3ag1 h MET 51 Ca 0.03 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3ag1 h MET 51 Cb 0.51 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 3ag1 h MET 51 CO 0.02 0.60 0.24 -0.07 1.06 0.00 0.00 176.91 178.75 3ag1 h LEU 52 N 0.72 0.28 -0.57 1.22 3.38 -1.29 0.97 115.31 120.02 3ag1 h LEU 52 Ca 0.19 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3ag1 h LEU 52 Cb 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ag1 h LEU 52 CO -0.03 0.18 0.16 0.74 0.09 0.00 0.00 178.44 179.59 3ag1 h THR 53 N 0.44 1.24 -0.45 0.22 2.02 -0.80 -1.69 112.91 113.90 3ag1 h THR 53 Ca 0.27 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 3ag1 h THR 53 Cb 0.27 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3ag1 h THR 53 CO -0.24 0.32 -0.17 0.24 0.37 0.00 0.00 175.52 176.03 3ag1 h MET 54 N 0.81 0.91 -0.30 6.66 2.86 -1.06 0.28 114.93 125.09 3ag1 h MET 54 Ca 0.18 -0.38 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 3ag1 h MET 54 Cb 0.31 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3ag1 h MET 54 CO -0.00 1.03 0.13 -0.92 1.06 0.00 0.00 176.91 178.21 3ag1 h TYR 55 N 0.74 0.24 0.02 -0.22 3.20 -0.73 -1.68 116.97 118.55 3ag1 h TYR 55 Ca 0.11 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.76 3ag1 h TYR 55 Cb 0.73 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3ag1 h TYR 55 CO 0.05 0.12 -0.97 1.96 -1.64 0.00 0.00 178.16 177.69 3ag1 h GLN 56 N 0.28 0.31 0.19 1.82 4.20 -1.03 -1.16 115.11 119.73 3ag1 h GLN 56 Ca 0.13 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3ag1 h GLN 56 Cb 0.07 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3ag1 h GLN 56 CO -0.11 1.07 -0.09 2.35 -0.67 0.00 0.00 178.83 181.39 3ag1 h TRP 57 N 0.16 -0.24 0.00 2.96 2.91 -0.91 0.07 115.95 120.91 3ag1 h TRP 57 Ca -0.08 -0.01 -0.10 0.00 1.13 0.00 0.00 58.89 59.84 3ag1 h TRP 57 Cb 1.62 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 30.33 3ag1 h TRP 57 CO 0.05 0.08 -0.48 -1.49 -1.03 0.00 0.00 178.44 175.57 3ag1 h TRP 58 N -0.57 0.00 -0.30 2.65 6.55 -1.32 -1.79 115.95 121.17 3ag1 h TRP 58 Ca -0.03 0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.85 3ag1 h TRP 58 Cb 0.42 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 3ag1 h TRP 58 CO 0.02 0.48 0.11 -0.09 -1.05 0.00 0.00 178.44 177.91 3ag1 h ARG 59 N 0.00 0.24 -0.37 0.49 2.43 -1.12 -2.21 114.38 113.84 3ag1 h ARG 59 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3ag1 h ARG 59 Cb 0.94 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 3ag1 h ARG 59 CO 0.06 0.16 0.08 -0.44 -1.51 0.00 0.00 179.97 178.32 3ag1 h ASP 60 N 0.25 0.50 -0.20 -3.80 3.32 -0.42 0.49 116.42 116.56 3ag1 h ASP 60 Ca 0.13 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3ag1 h ASP 60 Cb 0.10 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3ag1 h ASP 60 CO -0.13 0.51 -0.19 0.58 -1.72 0.00 0.00 179.24 178.29 3ag1 h VAL 61 N 0.54 1.26 -0.55 -1.35 2.07 -1.03 -0.13 116.25 117.05 3ag1 h VAL 61 Ca 0.12 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 3ag1 h VAL 61 Cb 0.22 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ag1 h VAL 61 CO -0.00 0.40 -0.05 0.40 0.02 0.00 0.00 177.57 178.34 3ag1 h ILE 62 N 0.57 1.27 -0.38 4.57 2.04 -0.79 -2.31 117.51 122.47 3ag1 h ILE 62 Ca 0.09 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.78 3ag1 h ILE 62 Cb 0.64 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3ag1 h ILE 62 CO 0.05 0.42 0.22 0.03 0.00 0.00 0.00 178.15 178.87 3ag1 h ARG 63 N 0.88 0.43 0.00 2.37 3.08 -0.13 0.15 114.38 121.17 3ag1 h ARG 63 Ca 0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3ag1 h ARG 63 Cb 0.60 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3ag1 h ARG 63 CO 0.04 0.28 -0.05 0.93 -1.07 0.00 0.00 179.97 180.10 3ag1 h GLU 64 N 0.44 0.00 0.00 0.04 5.08 -0.92 -0.46 114.58 118.76 3ag1 h GLU 64 Ca 0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3ag1 h GLU 64 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ag1 h GLU 64 CO -0.08 0.05 -0.81 -1.13 -1.00 0.00 0.00 179.01 176.04 3ag1 n SER 65 N -3.72 1.34 -0.06 1.42 3.41 -0.66 -1.19 113.62 114.17 3ag1 n SER 65 Ca -0.02 0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3ag1 n SER 65 Cb 0.15 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.47 1.29 0.01 6.66 2.02 -0.88 -2.50 112.91 119.03 3ag1 h THR 66 Ca -0.09 -1.70 -0.35 0.00 0.77 0.00 0.00 66.41 65.04 3ag1 h THR 66 Cb 0.69 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 3ag1 h THR 66 CO -0.05 0.55 -2.22 0.49 0.37 0.00 0.00 175.52 174.66 3ag1 n PHE 67 N -4.01 0.31 0.45 3.16 0.99 -0.91 -4.50 117.46 112.95 3ag1 n PHE 67 Ca -0.03 0.10 0.05 0.00 -0.00 0.00 0.00 57.45 57.57 3ag1 n PHE 67 Cb 0.59 -1.05 -0.06 0.00 -1.00 0.00 0.00 39.48 37.96 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 -2.93 3.13 -1.25 -1.08 6.02 -0.23 -5.02 117.38 116.03 3ag1 n GLN 68 Ca -0.31 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.00 56.65 3ag1 n GLN 68 Cb 1.11 -1.03 -0.01 0.00 1.02 0.00 0.00 30.24 31.32 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 1.32 0.52 0.02 1.08 0.00 -0.94 -4.93 105.19 102.25 3ag1 n GLY 69 Ca 0.02 -0.94 0.14 0.00 0.00 0.00 0.00 46.02 45.24 3ag1 n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ag1 n HIS 70 N -3.12 0.19 -2.58 1.61 8.25 -0.33 -4.46 115.22 114.77 3ag1 n HIS 70 Ca -0.03 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 3ag1 n HIS 70 Cb 0.16 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.71 3ag1 n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ag1 n HIS 71 N -1.66 4.40 -0.96 4.41 8.25 -1.26 -4.74 115.22 123.67 3ag1 n HIS 71 Ca 0.06 -3.05 -0.29 0.00 -0.26 0.00 0.00 57.72 54.18 3ag1 n HIS 71 Cb 0.36 -2.35 0.18 0.00 1.12 0.00 0.00 29.99 29.29 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 2.51 2.30 0.49 1.59 -4.23 -1.26 -4.73 115.64 112.31 3ag1 s THR 72 Ca 0.47 0.10 0.20 0.00 -1.18 0.00 0.00 61.69 61.27 3ag1 s THR 72 Cb 0.03 -2.41 0.35 0.00 1.34 0.00 0.00 72.50 71.82 3ag1 s THR 72 CO 0.02 -0.13 2.01 -0.65 -0.54 0.00 0.00 174.62 175.34 3ag1 h PRO 73 N -1.96 0.14 -0.33 3.99 0.11 -1.93 -0.35 132.00 131.67 3ag1 h PRO 73 Ca -0.53 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 3ag1 h PRO 73 Cb 1.30 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3ag1 h PRO 73 CO 0.52 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 3ag1 h ALA 74 N 1.76 0.44 -0.42 -0.75 0.00 -1.92 -1.42 119.26 116.96 3ag1 h ALA 74 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ag1 h ALA 74 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ag1 h ALA 74 CO -0.03 0.20 0.13 0.28 0.00 0.00 0.00 179.25 179.83 3ag1 h VAL 75 N 0.39 1.22 -0.46 0.00 2.07 -1.58 -2.57 116.25 115.33 3ag1 h VAL 75 Ca 0.09 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3ag1 h VAL 75 Cb 0.44 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3ag1 h VAL 75 CO 0.02 0.26 0.24 -0.61 0.02 0.00 0.00 177.57 177.50 3ag1 h GLN 76 N 0.54 0.64 -0.76 1.57 4.15 -1.04 -1.35 115.11 118.87 3ag1 h GLN 76 Ca 0.14 -0.08 0.16 0.00 0.77 0.00 0.00 58.65 59.63 3ag1 h GLN 76 Cb 0.27 -0.12 -0.11 0.00 0.21 0.00 0.00 27.48 27.73 3ag1 h GLN 76 CO -0.00 0.53 0.24 0.87 -1.93 0.00 0.00 178.83 178.53 3ag1 h LYS 77 N 0.60 0.32 -0.18 1.69 1.79 -1.23 -1.64 116.57 117.93 3ag1 h LYS 77 Ca 0.16 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.64 3ag1 h LYS 77 Cb 0.08 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3ag1 h LYS 77 CO -0.02 0.21 -0.03 0.78 -1.08 0.00 0.00 179.45 179.31 3ag1 h GLY 78 N 0.33 0.14 1.10 3.86 0.00 -0.87 -2.18 103.07 105.45 3ag1 h GLY 78 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3ag1 h GLY 78 CO -0.48 -0.06 0.56 1.41 0.00 0.00 0.00 176.54 177.97 3ag1 h LEU 79 N 0.02 1.05 -0.12 3.11 3.38 -0.86 0.91 115.31 122.80 3ag1 h LEU 79 Ca 0.09 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3ag1 h LEU 79 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3ag1 h LEU 79 CO -0.18 0.79 -0.11 0.03 0.09 0.00 0.00 178.44 179.07 3ag1 h ARG 80 N 1.22 -0.12 -0.53 1.13 3.08 -1.06 -0.97 114.38 117.13 3ag1 h ARG 80 Ca 0.32 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 3ag1 h ARG 80 Cb -0.09 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ag1 h ARG 80 CO -0.06 -0.08 0.31 1.88 -1.07 0.00 0.00 179.97 180.94 3ag1 h TYR 81 N -0.12 0.71 -0.76 3.04 0.05 -0.70 -1.92 116.97 117.26 3ag1 h TYR 81 Ca 0.08 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.93 3ag1 h TYR 81 Cb 0.24 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 3ag1 h TYR 81 CO -0.23 0.50 0.44 0.78 -1.05 0.00 0.00 178.16 178.60 3ag1 h GLY 82 N 0.71 1.15 0.68 3.88 0.00 -0.45 -1.45 103.07 107.59 3ag1 h GLY 82 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3ag1 h GLY 82 CO -0.03 0.16 -0.31 1.98 0.00 0.00 0.00 176.54 178.34 3ag1 h MET 83 N 0.77 0.33 -0.46 4.80 1.85 -0.96 0.08 114.93 121.34 3ag1 h MET 83 Ca 0.35 -0.27 0.06 0.00 -0.61 0.00 0.00 59.70 59.23 3ag1 h MET 83 Cb 0.25 0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.28 3ag1 h MET 83 CO -0.21 0.90 0.16 0.82 -0.40 0.00 0.00 176.91 178.19 3ag1 h ILE 84 N -0.16 0.85 -0.92 1.77 2.04 -1.16 -0.59 117.51 119.34 3ag1 h ILE 84 Ca -0.02 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ag1 h ILE 84 Cb 0.96 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3ag1 h ILE 84 CO 0.06 0.06 0.61 -0.07 0.00 0.00 0.00 178.15 178.82 3ag1 h LEU 85 N 0.33 1.05 -0.64 1.44 3.38 -1.15 -1.38 115.31 118.34 3ag1 h LEU 85 Ca 0.22 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3ag1 h LEU 85 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3ag1 h LEU 85 CO -0.22 0.76 -0.20 0.15 0.09 0.00 0.00 178.44 179.02 3ag1 h PHE 86 N 1.24 0.98 -0.83 1.13 3.57 -0.25 -1.81 116.94 120.96 3ag1 h PHE 86 Ca 0.34 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3ag1 h PHE 86 Cb -0.13 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 3ag1 h PHE 86 CO -0.01 0.98 0.47 0.82 -2.23 0.00 0.00 178.31 178.34 3ag1 h ILE 87 N 0.75 1.24 -0.36 1.41 2.04 -0.55 -1.99 117.51 120.05 3ag1 h ILE 87 Ca 0.11 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3ag1 h ILE 87 Cb 0.73 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3ag1 h ILE 87 CO 0.06 0.26 0.21 0.40 0.00 0.00 0.00 178.15 179.09 3ag1 h ILE 88 N 1.16 1.12 -0.36 -0.67 2.04 -0.89 0.34 117.51 120.25 3ag1 h ILE 88 Ca 0.30 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ag1 h ILE 88 Cb 0.00 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3ag1 h ILE 88 CO -0.05 0.13 0.21 0.77 0.00 0.00 0.00 178.15 179.21 3ag1 h SER 89 N 0.47 0.42 0.25 1.72 4.64 -0.81 -2.04 113.55 118.20 3ag1 h SER 89 Ca 0.13 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 3ag1 h SER 89 Cb 0.01 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3ag1 h SER 89 CO -0.02 0.33 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.36 3ag1 h GLU 90 N 0.49 0.33 -0.24 4.77 4.39 -0.39 -1.42 114.58 122.51 3ag1 h GLU 90 Ca 0.13 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3ag1 h GLU 90 Cb -0.01 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3ag1 h GLU 90 CO -0.02 0.82 0.14 0.28 -1.16 0.00 0.00 179.01 179.06 3ag1 h VAL 91 N 0.25 1.10 -0.16 3.13 2.07 -0.31 -1.69 116.25 120.64 3ag1 h VAL 91 Ca -0.00 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 3ag1 h VAL 91 Cb 1.08 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ag1 h VAL 91 CO 0.09 0.10 -0.24 -0.07 0.02 0.00 0.00 177.57 177.47 3ag1 h LEU 92 N 0.29 0.29 -0.18 2.57 -0.00 -1.26 -0.68 115.31 116.34 3ag1 h LEU 92 Ca 0.09 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3ag1 h LEU 92 Cb 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 3ag1 h LEU 92 CO -0.02 0.54 0.10 0.15 -0.00 0.00 0.00 178.44 179.21 3ag1 h PHE 93 N 0.26 0.25 -0.03 1.13 3.57 -0.93 -2.75 116.94 118.43 3ag1 h PHE 93 Ca 0.04 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3ag1 h PHE 93 Cb 0.57 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3ag1 h PHE 93 CO 0.01 0.22 -0.49 0.74 -2.23 0.00 0.00 178.31 176.56 3ag1 h PHE 94 N 0.20 0.10 -0.88 0.41 -1.00 -0.88 -2.41 116.94 112.48 3ag1 h PHE 94 Ca 0.06 -0.03 0.16 0.00 2.81 0.00 0.00 57.97 60.97 3ag1 h PHE 94 Cb 0.06 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.53 3ag1 h PHE 94 CO -0.04 0.56 0.57 1.15 -1.61 0.00 0.00 178.31 178.94 3ag1 h THR 95 N 0.07 0.79 -0.66 -1.55 2.02 -0.85 -0.47 112.91 112.25 3ag1 h THR 95 Ca 0.00 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3ag1 h THR 95 Cb 0.90 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3ag1 h THR 95 CO 0.07 0.11 0.40 1.23 0.37 0.00 0.00 175.52 177.70 3ag1 h GLY 96 N 0.60 0.96 1.91 2.16 0.00 -1.26 -0.90 103.07 106.53 3ag1 h GLY 96 Ca 0.45 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 3ag1 h GLY 96 CO -0.20 0.38 -0.90 0.74 0.00 0.00 0.00 176.54 176.56 3ag1 h PHE 97 N 0.91 0.12 -0.11 5.60 0.04 -1.20 -2.33 116.94 119.97 3ag1 h PHE 97 Ca 0.24 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 3ag1 h PHE 97 Cb -0.04 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3ag1 h PHE 97 CO 0.00 0.93 -0.61 0.74 -0.60 0.00 0.00 178.31 178.78 3ag1 h PHE 98 N 0.04 0.49 -0.21 -0.55 0.04 -1.05 -1.59 116.94 114.11 3ag1 h PHE 98 Ca -0.03 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3ag1 h PHE 98 Cb 1.57 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 3ag1 h PHE 98 CO 0.01 0.89 0.11 2.35 -0.60 0.00 0.00 178.31 181.07 3ag1 h TRP 99 N 0.28 0.29 -0.69 -0.55 2.91 -1.09 -0.23 115.95 116.88 3ag1 h TRP 99 Ca -0.01 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.04 3ag1 h TRP 99 Cb 1.13 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 29.65 3ag1 h TRP 99 CO 0.03 0.28 0.43 0.00 -1.03 0.00 0.00 178.44 178.15 3ag1 h ALA 100 N 0.99 0.90 -0.04 2.65 0.00 -1.26 0.66 119.26 123.17 3ag1 h ALA 100 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ag1 h ALA 100 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ag1 h ALA 100 CO -0.01 0.20 0.00 0.35 0.00 0.00 0.00 179.25 179.79 3ag1 h PHE 101 N 0.84 0.07 -0.73 0.00 3.57 -0.92 -2.42 116.94 117.35 3ag1 h PHE 101 Ca 0.28 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3ag1 h PHE 101 Cb 0.03 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3ag1 h PHE 101 CO -0.04 0.32 0.26 1.88 -2.23 0.00 0.00 178.31 178.50 3ag1 h TYR 102 N -0.21 1.14 -0.15 0.41 -1.99 -0.69 -2.04 116.97 113.43 3ag1 h TYR 102 Ca 0.01 -0.09 0.04 0.00 2.00 0.00 0.00 58.73 60.69 3ag1 h TYR 102 Cb 0.29 -0.34 -0.05 0.00 2.00 0.00 0.00 36.73 38.64 3ag1 h TYR 102 CO 0.02 0.88 -0.14 1.25 -0.00 0.00 0.00 178.16 180.17 3ag1 h HIS 103 N 1.08 -0.35 -0.06 4.88 2.76 -0.75 -0.31 115.15 122.40 3ag1 h HIS 103 Ca 0.24 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.28 3ag1 h HIS 103 Cb 0.25 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3ag1 h HIS 103 CO 0.02 -0.21 -0.67 0.77 -1.30 0.00 0.00 177.93 176.55 3ag1 h SER 104 N -0.16 0.29 0.30 3.26 0.02 -1.19 -3.20 113.55 112.87 3ag1 h SER 104 Ca 0.10 -0.18 -0.29 0.00 -0.84 0.00 0.00 61.79 60.58 3ag1 h SER 104 Cb 0.31 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 3ag1 h SER 104 CO -0.25 0.87 -1.95 -1.54 -1.14 0.00 0.00 176.83 172.82 3ag1 n SER 105 N -3.83 0.49 0.13 3.07 3.41 -0.79 -3.28 113.62 112.83 3ag1 n SER 105 Ca -0.03 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 58.94 3ag1 n SER 105 Cb 0.66 0.47 0.33 0.00 -0.26 0.00 0.00 64.21 65.42 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 -6.22 1.04 3.38 -1.18 -3.38 115.31 108.95 3ag1 h LEU 106 Ca -0.36 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.03 3ag1 h LEU 106 Cb 2.01 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 42.38 3ag1 h LEU 106 CO 0.05 0.00 -1.00 0.00 0.09 0.00 0.00 178.44 177.58 3ag1 n ALA 107 N -1.87 2.61 -1.81 1.53 0.00 -1.21 -5.10 120.51 114.67 3ag1 n ALA 107 Ca 0.05 -3.13 -0.41 0.00 0.00 0.00 0.00 53.44 49.94 3ag1 n ALA 107 Cb 0.46 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.28 4.22 0.61 0.00 0.02 -1.20 -4.82 135.00 133.54 3ag1 s PRO 108 Ca 0.34 2.41 -0.02 0.00 0.02 0.00 0.00 61.00 63.75 3ag1 s PRO 108 Cb 0.08 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.59 3ag1 s PRO 108 CO -0.17 -0.45 0.87 0.95 -0.33 0.00 0.00 177.00 177.86 3ag1 s THR 109 N -0.42 2.51 0.34 0.99 -4.23 -1.26 -4.47 115.64 109.09 3ag1 s THR 109 Ca 0.57 -0.51 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3ag1 s THR 109 Cb -0.44 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.71 3ag1 s THR 109 CO 0.50 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.84 3ag1 h PRO 110 N -0.19 0.79 0.00 3.99 0.11 -1.94 -0.48 132.00 134.28 3ag1 h PRO 110 Ca -0.43 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ag1 h PRO 110 Cb 1.30 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ag1 h PRO 110 CO 0.55 0.52 -0.00 0.93 -0.21 0.00 0.00 178.00 179.79 3ag1 h GLU 111 N 0.81 0.00 0.00 1.05 3.07 -2.02 -0.25 114.58 117.25 3ag1 h GLU 111 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3ag1 h GLU 111 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3ag1 h GLU 111 CO -0.16 0.00 -0.75 -0.07 -1.40 0.00 0.00 179.01 176.63 3ag1 h LEU 112 N 0.00 0.00 0.00 1.33 3.38 -1.79 -3.47 115.31 114.76 3ag1 h LEU 112 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ag1 h LEU 112 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ag1 h LEU 112 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3ag1 n GLY 113 N 1.23 1.08 2.48 0.83 0.00 -0.11 -1.70 105.19 108.99 3ag1 n GLY 113 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.12 0.49 3.24 -0.02 0.00 -0.24 -4.94 105.19 102.59 3ag1 n GLY 114 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.04 1.17 0.67 0.00 -0.11 -1.26 -3.64 118.94 111.72 3ag1 s TRP 116 Ca 0.25 -0.35 -0.17 0.00 1.22 0.00 0.00 56.10 57.05 3ag1 s TRP 116 Cb 0.06 -0.85 0.00 0.00 -1.50 0.00 0.00 33.47 31.18 3ag1 s TRP 116 CO 0.04 -0.17 1.23 -1.25 -4.62 0.00 0.00 176.95 172.18 3ag1 s PRO 117 N 0.39 2.50 0.81 5.86 0.04 -1.26 -4.97 135.00 138.37 3ag1 s PRO 117 Ca -0.07 1.87 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 3ag1 s PRO 117 Cb -0.12 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.63 3ag1 s PRO 117 CO 0.02 -1.58 1.07 -2.30 0.04 0.00 0.00 177.00 174.24 3ag1 n PRO 118 N -2.15 0.14 -1.60 0.56 -0.02 -1.24 -4.89 135.00 125.80 3ag1 n PRO 118 Ca 0.14 0.12 -0.48 0.00 -2.02 0.00 0.00 63.50 61.26 3ag1 n PRO 118 Cb 0.49 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 -3.25 0.83 -0.09 3.45 -1.04 -0.69 -2.35 114.28 111.15 3ag1 n THR 119 Ca 0.13 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3ag1 n THR 119 Cb 0.51 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 2.10 1.32 3.83 3.41 0.00 -1.26 -4.97 105.19 109.62 3ag1 n GLY 120 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.57 5.39 -0.37 -0.61 -1.09 -0.99 -5.06 121.20 115.89 3ag1 s ILE 121 Ca 0.00 0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.76 3ag1 s ILE 121 Cb 0.00 -3.49 0.10 0.00 -1.58 0.00 0.00 42.46 37.48 3ag1 s ILE 121 CO 0.00 0.55 0.14 -1.00 -1.23 0.00 0.00 174.94 173.40 3ag1 s HIS 122 N -0.59 3.55 0.51 3.97 3.76 -1.26 -4.87 115.29 120.36 3ag1 s HIS 122 Ca 0.15 -2.40 -0.22 0.00 -0.15 0.00 0.00 55.06 52.44 3ag1 s HIS 122 Cb -0.13 -2.94 -0.06 0.00 1.11 0.00 0.00 32.58 30.56 3ag1 s HIS 122 CO 0.04 -0.93 1.20 -2.14 -0.85 0.00 0.00 174.74 172.06 3ag1 s PRO 123 N 1.12 3.48 0.67 8.40 0.02 -1.26 -4.79 135.00 142.65 3ag1 s PRO 123 Ca 0.06 1.83 -0.17 0.00 0.02 0.00 0.00 61.00 62.74 3ag1 s PRO 123 Cb -0.21 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 3ag1 s PRO 123 CO -0.04 -0.79 0.76 1.28 -0.33 0.00 0.00 177.00 177.87 3ag1 n LEU 124 N -0.86 2.31 -4.67 -5.54 4.77 -1.26 -4.96 117.00 106.79 3ag1 n LEU 124 Ca 0.09 0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 56.34 3ag1 n LEU 124 Cb 0.48 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 3ag1 n LEU 124 CO 0.47 -2.50 0.68 0.21 -1.33 0.00 0.00 177.39 174.93 3ag1 s ASN 125 N -1.43 6.99 0.30 -1.43 3.84 -1.26 -4.91 114.94 117.04 3ag1 s ASN 125 Ca 0.71 1.22 0.24 0.00 0.21 0.00 0.00 52.86 55.24 3ag1 s ASN 125 Cb -0.38 -2.48 1.10 0.00 -0.55 0.00 0.00 41.25 38.95 3ag1 s ASN 125 CO 0.52 -0.46 1.71 1.55 -2.79 0.00 0.00 177.10 177.63 3ag1 h PRO 126 N 7.38 0.00 -0.00 0.43 0.13 -1.93 -2.15 132.00 135.86 3ag1 h PRO 126 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ag1 h PRO 126 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ag1 h PRO 126 CO 0.87 0.00 -0.30 1.28 -0.23 0.00 0.00 178.00 179.62 3ag1 n LEU 127 N -2.29 0.64 0.00 1.56 7.99 -1.26 -2.18 117.00 121.46 3ag1 n LEU 127 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 3ag1 n LEU 127 Cb 0.15 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.25 3ag1 n LEU 127 CO 0.16 0.13 0.00 -0.62 -1.51 0.00 0.00 177.39 175.55 3ag1 n GLU 128 N -1.09 0.00 -0.28 3.23 1.02 -0.81 -4.57 120.64 118.14 3ag1 n GLU 128 Ca 0.10 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.33 3ag1 n GLU 128 Cb 0.33 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.07 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 0.92 -0.25 2.62 2.07 -1.87 -1.59 116.25 118.15 3ag1 h VAL 129 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3ag1 h VAL 129 Cb 0.00 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3ag1 h VAL 129 CO 0.00 0.15 0.13 -0.65 0.02 0.00 0.00 177.57 177.22 3ag1 h PRO 130 N 0.83 0.34 -0.29 1.57 0.11 -1.77 -0.01 132.00 132.77 3ag1 h PRO 130 Ca 0.43 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.39 3ag1 h PRO 130 Cb 0.52 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3ag1 h PRO 130 CO -0.20 0.25 -0.32 1.25 -0.21 0.00 0.00 178.00 178.78 3ag1 h LEU 131 N 0.34 0.64 -0.41 2.35 5.85 -0.80 -2.58 115.31 120.71 3ag1 h LEU 131 Ca 0.09 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3ag1 h LEU 131 Cb 0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3ag1 h LEU 131 CO -0.01 0.92 0.06 0.25 -0.34 0.00 0.00 178.44 179.32 3ag1 h LEU 132 N 0.53 0.65 -1.04 2.25 5.85 -0.83 -1.70 115.31 121.01 3ag1 h LEU 132 Ca 0.06 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.60 3ag1 h LEU 132 Cb 0.81 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 3ag1 h LEU 132 CO 0.07 0.74 0.63 0.78 -0.34 0.00 0.00 178.44 180.32 3ag1 h ASN 133 N 0.52 0.98 -0.23 1.25 2.35 -0.94 -0.11 115.58 119.40 3ag1 h ASN 133 Ca 0.12 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3ag1 h ASN 133 Cb 0.37 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ag1 h ASN 133 CO 0.01 0.60 0.07 0.74 -1.65 0.00 0.00 177.43 177.19 3ag1 h THR 134 N 1.09 1.20 -0.77 2.81 2.02 -1.16 -1.55 112.91 116.55 3ag1 h THR 134 Ca 0.44 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 3ag1 h THR 134 Cb 0.27 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3ag1 h THR 134 CO -0.19 0.20 0.32 0.77 0.37 0.00 0.00 175.52 176.99 3ag1 h SER 135 N 0.19 1.04 -0.36 4.18 4.64 -0.80 -0.83 113.55 121.61 3ag1 h SER 135 Ca 0.07 -0.15 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3ag1 h SER 135 Cb 0.25 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 3ag1 h SER 135 CO -0.00 0.91 0.02 0.58 -0.87 0.00 0.00 176.83 177.47 3ag1 h VAL 136 N 1.11 0.76 -0.01 0.95 2.07 -0.76 0.64 116.25 121.01 3ag1 h VAL 136 Ca 0.26 -0.04 -0.21 0.00 0.82 0.00 0.00 66.70 67.52 3ag1 h VAL 136 Cb 0.19 0.62 0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3ag1 h VAL 136 CO -0.02 0.02 -0.83 -0.07 0.02 0.00 0.00 177.57 176.69 3ag1 h LEU 137 N 0.12 0.75 -0.82 2.57 3.38 -1.15 -1.74 115.31 118.43 3ag1 h LEU 137 Ca 0.17 -0.74 0.05 0.00 0.09 0.00 0.00 57.88 57.46 3ag1 h LEU 137 Cb 0.23 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3ag1 h LEU 137 CO -0.27 1.39 0.51 -0.07 0.09 0.00 0.00 178.44 180.09 3ag1 h LEU 138 N 0.19 0.82 -1.02 1.67 3.38 -1.10 -1.81 115.31 117.45 3ag1 h LEU 138 Ca -0.10 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3ag1 h LEU 138 Cb 1.50 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3ag1 h LEU 138 CO 0.16 0.54 0.06 0.00 0.09 0.00 0.00 178.44 179.29 3ag1 h ALA 139 N 1.38 1.19 0.00 1.53 0.00 -0.64 -1.74 119.26 120.98 3ag1 h ALA 139 Ca 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ag1 h ALA 139 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ag1 h ALA 139 CO -0.15 0.54 -0.02 0.66 0.00 0.00 0.00 179.25 180.27 3ag1 h SER 140 N 0.73 0.00 0.61 0.00 4.64 -0.74 -1.92 113.55 116.86 3ag1 h SER 140 Ca 0.15 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3ag1 h SER 140 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3ag1 h SER 140 CO 0.01 0.02 -0.50 1.23 -0.87 0.00 0.00 176.83 176.72 3ag1 h GLY 141 N 2.02 0.00 0.43 -0.77 0.00 -0.49 -2.31 103.07 101.94 3ag1 h GLY 141 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ag1 h GLY 141 CO 0.00 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.38 3ag1 h VAL 142 N 0.00 1.50 -0.22 4.60 2.07 -1.11 -3.12 116.25 119.97 3ag1 h VAL 142 Ca -0.00 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 65.85 3ag1 h VAL 142 Cb 0.94 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3ag1 h VAL 142 CO 0.06 0.43 -0.15 0.77 0.02 0.00 0.00 177.57 178.70 3ag1 h SER 143 N -0.53 0.35 0.61 0.57 4.64 -1.43 -0.71 113.55 117.06 3ag1 h SER 143 Ca -0.01 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 3ag1 h SER 143 Cb 0.74 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3ag1 h SER 143 CO 0.02 0.53 -0.47 -0.29 -0.87 0.00 0.00 176.83 175.75 3ag1 h ILE 144 N 0.34 1.20 -0.29 0.95 2.10 -1.51 0.13 117.51 120.42 3ag1 h ILE 144 Ca 0.06 -1.67 -0.14 0.00 1.08 0.00 0.00 64.86 64.19 3ag1 h ILE 144 Cb 0.47 1.93 -0.00 0.00 -1.09 0.00 0.00 36.82 38.13 3ag1 h ILE 144 CO 0.03 0.46 -0.38 0.74 -1.08 0.00 0.00 178.15 177.91 3ag1 h THR 145 N 0.00 1.29 -0.84 2.19 2.02 -1.30 -1.71 112.91 114.56 3ag1 h THR 145 Ca -0.00 -1.56 0.11 0.00 0.77 0.00 0.00 66.41 65.72 3ag1 h THR 145 Cb 0.90 1.60 -0.08 0.00 -1.74 0.00 0.00 68.15 68.83 3ag1 h THR 145 CO 0.06 0.50 0.47 -0.25 0.37 0.00 0.00 175.52 176.68 3ag1 h TRP 146 N 0.53 0.86 -0.50 3.16 7.01 -0.64 -2.06 115.95 124.31 3ag1 h TRP 146 Ca 0.04 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 3ag1 h TRP 146 Cb 0.97 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 3ag1 h TRP 146 CO 0.07 0.32 0.08 0.00 -2.79 0.00 0.00 178.44 176.12 3ag1 h ALA 147 N 1.48 1.20 -0.18 2.65 0.00 -0.31 -0.83 119.26 123.26 3ag1 h ALA 147 Ca 0.42 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ag1 h ALA 147 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ag1 h ALA 147 CO -0.27 0.54 -0.12 1.25 0.00 0.00 0.00 179.25 180.65 3ag1 h HIS 148 N 0.75 0.47 -0.85 0.00 -0.00 -1.07 -1.82 115.15 112.63 3ag1 h HIS 148 Ca 0.16 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 3ag1 h HIS 148 Cb 0.35 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 3ag1 h HIS 148 CO 0.02 0.74 0.45 0.45 -0.00 0.00 0.00 177.93 179.59 3ag1 h HIS 149 N 0.08 1.18 -0.81 5.26 -0.00 -1.13 -1.28 115.15 118.45 3ag1 h HIS 149 Ca 0.04 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3ag1 h HIS 149 Cb 0.63 -0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 27.62 3ag1 h HIS 149 CO 0.07 0.82 0.52 0.77 -0.00 0.00 0.00 177.93 180.12 3ag1 h SER 150 N 1.19 0.88 -0.29 2.45 0.02 -1.07 -1.77 113.55 114.96 3ag1 h SER 150 Ca 0.30 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3ag1 h SER 150 Cb 0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3ag1 h SER 150 CO -0.05 0.61 0.11 0.25 -1.14 0.00 0.00 176.83 176.62 3ag1 h LEU 151 N 1.03 0.40 -1.49 5.07 5.85 -1.00 0.23 115.31 125.39 3ag1 h LEU 151 Ca 0.31 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 151 Cb -0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3ag1 h LEU 151 CO -0.10 0.46 0.17 0.24 -0.34 0.00 0.00 178.44 178.87 3ag1 h MET 152 N 0.31 0.51 -0.26 1.25 2.86 -1.06 -0.89 114.93 117.65 3ag1 h MET 152 Ca 0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3ag1 h MET 152 Cb 0.19 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3ag1 h MET 152 CO -0.01 0.40 0.00 0.39 1.06 0.00 0.00 176.91 178.76 3ag1 n GLU 153 N -4.41 1.79 -1.11 1.72 1.02 -0.68 -4.86 120.64 114.10 3ag1 n GLU 153 Ca 0.02 -1.20 -0.04 0.00 -0.02 0.00 0.00 57.16 55.92 3ag1 n GLU 153 Cb 0.12 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.11 0.68 3.36 0.62 0.00 -0.34 -4.99 105.19 105.62 3ag1 n GLY 154 Ca 0.14 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.75 6.32 0.08 1.61 -1.08 0.74 -4.93 116.67 116.66 3ag1 s ASP 155 Ca 0.00 -1.79 -0.18 0.00 -0.52 0.00 0.00 52.55 50.07 3ag1 s ASP 155 Cb 0.00 -2.27 -0.09 0.00 -1.46 0.00 0.00 42.92 39.10 3ag1 s ASP 155 CO 0.00 -0.95 1.44 -0.09 0.52 0.00 0.00 175.17 176.08 3ag1 h ARG 156 N 8.85 0.52 -0.39 4.34 2.43 -1.94 -2.61 114.38 125.58 3ag1 h ARG 156 Ca -0.19 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 3ag1 h ARG 156 Cb 1.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3ag1 h ARG 156 CO 1.03 0.79 0.09 -0.22 -1.51 0.00 0.00 179.97 180.14 3ag1 h LYS 157 N 0.24 0.63 0.00 0.20 3.64 -1.97 -2.07 116.57 117.24 3ag1 h LYS 157 Ca 0.05 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 3ag1 h LYS 157 Cb 0.64 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3ag1 h LYS 157 CO 0.04 0.66 -0.49 0.45 -2.27 0.00 0.00 179.45 177.84 3ag1 h HIS 158 N 0.48 0.00 0.02 1.91 3.86 -1.95 -1.08 115.15 118.39 3ag1 h HIS 158 Ca 0.12 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3ag1 h HIS 158 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3ag1 h HIS 158 CO 0.02 0.49 -0.01 1.98 0.86 0.00 0.00 177.93 181.28 3ag1 h MET 159 N 0.00 -0.02 -0.59 2.45 1.85 -1.30 -0.20 114.93 117.11 3ag1 h MET 159 Ca -0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 3ag1 h MET 159 Cb 0.94 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.95 3ag1 h MET 159 CO 0.06 0.26 0.33 -0.07 -0.40 0.00 0.00 176.91 177.10 3ag1 h LEU 160 N -0.31 0.71 -0.13 3.39 3.38 -1.16 -0.84 115.31 120.36 3ag1 h LEU 160 Ca -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3ag1 h LEU 160 Cb 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ag1 h LEU 160 CO 0.00 0.57 -0.04 -0.61 0.09 0.00 0.00 178.44 178.45 3ag1 h GLN 161 N 0.82 0.25 -0.83 1.13 4.15 -0.94 -0.91 115.11 118.78 3ag1 h GLN 161 Ca 0.21 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3ag1 h GLN 161 Cb 0.01 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3ag1 h GLN 161 CO -0.04 0.56 0.41 0.00 -1.93 0.00 0.00 178.83 177.84 3ag1 h ALA 162 N 0.68 1.07 -0.44 3.38 0.00 -0.81 -1.61 119.26 121.53 3ag1 h ALA 162 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ag1 h ALA 162 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ag1 h ALA 162 CO 0.01 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 3ag1 h LEU 163 N 1.17 0.82 -0.03 0.00 5.85 -1.15 -1.76 115.31 120.21 3ag1 h LEU 163 Ca 0.29 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3ag1 h LEU 163 Cb 0.10 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3ag1 h LEU 163 CO -0.04 0.97 0.02 0.15 -0.34 0.00 0.00 178.44 179.21 3ag1 h PHE 164 N 0.65 0.05 -0.58 1.25 3.57 -0.86 -1.28 116.94 119.74 3ag1 h PHE 164 Ca 0.11 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.72 3ag1 h PHE 164 Cb 0.60 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 3ag1 h PHE 164 CO 0.05 0.08 0.12 0.82 -2.23 0.00 0.00 178.31 177.15 3ag1 h ILE 165 N -0.00 0.66 -0.35 1.41 2.04 -1.23 -0.83 117.51 119.21 3ag1 h ILE 165 Ca 0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3ag1 h ILE 165 Cb 0.05 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3ag1 h ILE 165 CO -0.00 0.05 0.20 0.74 0.00 0.00 0.00 178.15 179.14 3ag1 h THR 166 N 0.26 1.04 -0.54 -0.27 2.02 -0.97 -1.39 112.91 113.05 3ag1 h THR 166 Ca 0.30 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3ag1 h THR 166 Cb 0.44 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3ag1 h THR 166 CO -0.39 0.08 0.26 0.40 0.37 0.00 0.00 175.52 176.23 3ag1 h ILE 167 N 0.42 1.20 -0.88 3.11 2.04 -0.79 -1.58 117.51 121.03 3ag1 h ILE 167 Ca 0.14 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3ag1 h ILE 167 Cb 0.00 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3ag1 h ILE 167 CO -0.06 0.23 0.45 0.74 0.00 0.00 0.00 178.15 179.51 3ag1 h THR 168 N 0.73 1.26 -0.67 -0.27 2.02 -0.80 -0.63 112.91 114.55 3ag1 h THR 168 Ca 0.19 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 3ag1 h THR 168 Cb 0.13 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3ag1 h THR 168 CO -0.02 0.31 0.16 -0.07 0.37 0.00 0.00 175.52 176.27 3ag1 h LEU 169 N 1.24 1.00 -0.70 2.58 3.38 -1.05 0.59 115.31 122.35 3ag1 h LEU 169 Ca 0.31 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3ag1 h LEU 169 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3ag1 h LEU 169 CO -0.04 0.96 0.27 1.23 0.09 0.00 0.00 178.44 180.95 3ag1 h GLY 170 N 1.07 1.14 1.07 0.83 0.00 -0.52 -1.40 103.07 105.26 3ag1 h GLY 170 Ca 0.21 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3ag1 h GLY 170 CO 0.00 0.59 -0.16 -2.08 0.00 0.00 0.00 176.54 174.89 3ag1 h VAL 171 N 1.01 1.27 -0.71 4.60 2.07 -0.87 -2.20 116.25 121.42 3ag1 h VAL 171 Ca 0.23 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3ag1 h VAL 171 Cb 0.23 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3ag1 h VAL 171 CO -0.02 0.45 0.31 0.22 0.02 0.00 0.00 177.57 178.56 3ag1 h TYR 172 N 0.81 1.03 -0.20 1.57 3.20 -0.54 -0.24 116.97 122.60 3ag1 h TYR 172 Ca 0.12 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3ag1 h TYR 172 Cb 0.73 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3ag1 h TYR 172 CO 0.05 0.77 0.05 0.35 -1.64 0.00 0.00 178.16 177.74 3ag1 h PHE 173 N 1.01 0.34 -0.82 -3.82 3.57 -1.12 0.23 116.94 116.33 3ag1 h PHE 173 Ca 0.24 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3ag1 h PHE 173 Cb 0.15 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3ag1 h PHE 173 CO 0.01 0.43 0.50 1.15 -2.23 0.00 0.00 178.31 178.17 3ag1 h THR 174 N 0.14 1.02 -0.35 4.41 2.02 -0.74 -1.23 112.91 118.19 3ag1 h THR 174 Ca 0.06 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3ag1 h THR 174 Cb 0.26 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3ag1 h THR 174 CO 0.00 0.17 -0.07 -0.07 0.37 0.00 0.00 175.52 175.91 3ag1 h LEU 175 N 0.91 0.67 -0.86 2.58 3.38 -0.82 -1.37 115.31 119.80 3ag1 h LEU 175 Ca 0.36 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3ag1 h LEU 175 Cb 0.18 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3ag1 h LEU 175 CO -0.18 0.87 0.50 -0.07 0.09 0.00 0.00 178.44 179.66 3ag1 h LEU 176 N 0.46 0.73 -0.19 1.67 3.38 -0.80 -1.94 115.31 118.62 3ag1 h LEU 176 Ca 0.09 0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 3ag1 h LEU 176 Cb 0.57 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ag1 h LEU 176 CO 0.03 0.41 -0.71 -0.61 0.09 0.00 0.00 178.44 177.66 3ag1 h GLN 177 N 0.84 0.81 -1.01 1.13 5.75 -1.08 -0.05 115.11 121.50 3ag1 h GLN 177 Ca 0.41 -0.62 0.02 0.00 -0.15 0.00 0.00 58.65 58.32 3ag1 h GLN 177 Cb 0.37 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 3ag1 h GLN 177 CO -0.25 1.23 0.66 0.00 -2.65 0.00 0.00 178.83 177.83 3ag1 h ALA 178 N 0.58 1.31 -0.25 3.38 0.00 -1.02 -0.02 119.26 123.24 3ag1 h ALA 178 Ca -0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ag1 h ALA 178 Cb 1.33 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ag1 h ALA 178 CO 0.15 0.61 -0.05 1.03 0.00 0.00 0.00 179.25 180.99 3ag1 h SER 179 N 1.32 0.48 -0.87 0.00 0.87 -1.05 -1.63 113.55 112.66 3ag1 h SER 179 Ca 0.39 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3ag1 h SER 179 Cb -0.07 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 3ag1 h SER 179 CO -0.10 0.72 0.51 -0.33 -0.53 0.00 0.00 176.83 177.10 3ag1 h GLU 180 N 0.23 1.19 -0.18 2.24 4.39 -0.65 -1.44 114.58 120.35 3ag1 h GLU 180 Ca 0.06 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3ag1 h GLU 180 Cb 0.51 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3ag1 h GLU 180 CO 0.02 0.84 -0.08 1.88 -1.16 0.00 0.00 179.01 180.52 3ag1 h TYR 181 N 1.20 -0.18 -0.73 4.33 -1.99 -0.72 -1.04 116.97 117.84 3ag1 h TYR 181 Ca 0.31 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.05 3ag1 h TYR 181 Cb -0.03 0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.77 3ag1 h TYR 181 CO 0.00 -0.12 0.44 -0.92 -0.00 0.00 0.00 178.16 177.56 3ag1 h TYR 182 N -0.05 0.97 0.00 4.88 5.03 -0.83 -2.93 116.97 124.04 3ag1 h TYR 182 Ca 0.10 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.40 3ag1 h TYR 182 Cb 0.20 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.16 3ag1 h TYR 182 CO -0.23 0.65 0.00 0.93 -1.32 0.00 0.00 178.16 178.19 3ag1 h GLU 183 N 1.00 0.00 -6.70 1.82 4.39 -1.13 -3.46 114.58 110.50 3ag1 h GLU 183 Ca 0.26 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.44 3ag1 h GLU 183 Cb -0.03 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3ag1 h GLU 183 CO -0.05 0.00 0.76 0.00 -1.16 0.00 0.00 179.01 178.56 3ag1 s ALA 184 N -3.13 3.64 -2.00 3.43 0.00 -0.41 -4.88 121.76 118.40 3ag1 s ALA 184 Ca 0.10 1.29 0.23 0.00 0.00 0.00 0.00 51.96 53.57 3ag1 s ALA 184 Cb 0.12 -3.56 1.35 0.00 0.00 0.00 0.00 23.12 21.03 3ag1 s ALA 184 CO 0.58 -0.71 1.76 -0.35 0.00 0.00 0.00 175.76 177.04 3ag1 n PRO 185 N 2.78 0.81 -4.42 0.00 -0.04 -1.26 -4.78 135.00 128.08 3ag1 n PRO 185 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 3ag1 n PRO 185 Cb 0.40 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.04 0.39 0.54 -0.12 -1.26 -4.96 117.98 112.61 3ag1 s PHE 186 Ca 0.34 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.78 3ag1 s PHE 186 Cb 0.16 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 41.55 3ag1 s PHE 186 CO 0.26 0.53 0.09 0.95 -0.05 0.00 0.00 175.22 177.00 3ag1 s THR 187 N -2.75 0.86 0.56 -4.49 -4.23 -1.26 -5.02 115.64 99.32 3ag1 s THR 187 Ca 0.27 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.08 3ag1 s THR 187 Cb -0.02 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.69 3ag1 s THR 187 CO 0.12 0.00 2.23 -0.29 -0.54 0.00 0.00 174.62 176.13 3ag1 h ILE 188 N 1.84 0.53 -0.06 2.99 2.10 -1.96 -1.42 117.51 121.53 3ag1 h ILE 188 Ca -0.38 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.47 3ag1 h ILE 188 Cb 1.27 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3ag1 h ILE 188 CO 0.63 0.02 0.00 -1.54 -1.08 0.00 0.00 178.15 176.18 3ag1 n SER 189 N -3.81 0.85 -3.68 2.19 3.41 -1.26 -3.37 113.62 107.94 3ag1 n SER 189 Ca -0.03 -1.48 -0.41 0.00 -0.26 0.00 0.00 58.87 56.69 3ag1 n SER 189 Cb 0.11 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.26 6.45 -0.14 4.04 8.00 -0.54 -4.96 116.55 129.15 3ag1 n ASP 190 Ca 0.17 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.56 3ag1 n ASP 190 Cb 0.21 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.88 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 2.35 0.26 0.22 0.44 0.00 -1.26 -2.18 105.19 105.01 3ag1 n GLY 191 Ca 0.50 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 0.79 0.38 1.61 3.04 -1.92 -0.92 116.25 119.23 3ag1 h VAL 192 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 3ag1 h VAL 192 Cb 0.00 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3ag1 h VAL 192 CO 0.00 0.26 -0.18 0.22 -1.01 0.00 0.00 177.57 176.86 3ag1 h TYR 193 N 0.00 -0.48 -0.04 3.17 3.20 -1.97 -1.76 116.97 119.09 3ag1 h TYR 193 Ca -0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 3ag1 h TYR 193 Cb 0.65 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3ag1 h TYR 193 CO 0.00 -0.19 -0.43 0.78 -1.64 0.00 0.00 178.16 176.68 3ag1 h GLY 194 N -0.72 0.10 0.98 1.82 0.00 -1.09 -2.00 103.07 102.16 3ag1 h GLY 194 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3ag1 h GLY 194 CO 0.09 0.08 -0.18 1.76 0.00 0.00 0.00 176.54 178.29 3ag1 h SER 195 N 0.08 -0.43 -0.23 0.19 0.02 -1.13 -1.82 113.55 110.22 3ag1 h SER 195 Ca 0.00 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 3ag1 h SER 195 Cb 0.79 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3ag1 h SER 195 CO 0.06 -0.29 -0.63 0.71 -1.14 0.00 0.00 176.83 175.54 3ag1 h THR 196 N -0.54 1.28 0.32 -2.27 1.35 -1.33 -2.15 112.91 109.57 3ag1 h THR 196 Ca -0.05 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3ag1 h THR 196 Cb 0.41 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.58 3ag1 h THR 196 CO 0.09 0.59 -0.38 0.15 -0.25 0.00 0.00 175.52 175.71 3ag1 h PHE 197 N 0.60 -1.04 -0.01 4.73 3.57 -1.39 -1.98 116.94 121.42 3ag1 h PHE 197 Ca -0.01 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 3ag1 h PHE 197 Cb 1.25 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 3ag1 h PHE 197 CO 0.08 -0.52 -0.86 0.74 -2.23 0.00 0.00 178.31 175.52 3ag1 h PHE 198 N -0.74 0.44 -0.10 0.41 -1.00 -1.36 -1.76 116.94 112.82 3ag1 h PHE 198 Ca -0.02 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 60.51 3ag1 h PHE 198 Cb 0.69 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.19 3ag1 h PHE 198 CO -0.24 1.03 -0.05 0.28 -1.61 0.00 0.00 178.31 177.71 3ag1 h VAL 199 N 0.18 1.32 -0.09 -0.55 2.07 -1.48 0.12 116.25 117.82 3ag1 h VAL 199 Ca -0.05 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3ag1 h VAL 199 Cb 1.48 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 3ag1 h VAL 199 CO 0.14 0.30 0.02 0.00 0.02 0.00 0.00 177.57 178.05 3ag1 h ALA 200 N 0.64 0.12 0.00 1.67 0.00 -1.42 -1.57 119.26 118.70 3ag1 h ALA 200 Ca 0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3ag1 h ALA 200 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ag1 h ALA 200 CO 0.02 -0.24 -0.49 1.79 0.00 0.00 0.00 179.25 180.33 3ag1 h THR 201 N -0.07 1.05 -0.19 0.00 1.35 -1.42 -2.03 112.91 111.60 3ag1 h THR 201 Ca 0.03 -1.88 -0.09 0.00 -0.55 0.00 0.00 66.41 63.92 3ag1 h THR 201 Cb 0.26 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3ag1 h THR 201 CO 0.00 0.48 -0.23 1.23 -0.25 0.00 0.00 175.52 176.75 3ag1 h GLY 202 N 2.30 0.53 1.60 5.82 0.00 -0.69 0.31 103.07 112.95 3ag1 h GLY 202 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 3ag1 h GLY 202 CO 0.06 0.51 -0.14 0.74 0.00 0.00 0.00 176.54 177.71 3ag1 h PHE 203 N 0.15 0.52 -0.30 5.60 0.04 -1.23 -0.56 116.94 121.15 3ag1 h PHE 203 Ca 0.03 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.63 3ag1 h PHE 203 Cb 0.78 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 3ag1 h PHE 203 CO 0.08 0.61 -0.14 1.25 -0.60 0.00 0.00 178.31 179.51 3ag1 h HIS 204 N 0.44 0.72 -0.79 -0.55 2.76 -1.01 -2.10 115.15 114.62 3ag1 h HIS 204 Ca 0.08 -0.18 0.06 0.00 -2.20 0.00 0.00 60.37 58.13 3ag1 h HIS 204 Cb 0.51 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 3ag1 h HIS 204 CO 0.02 0.85 0.52 0.78 -1.30 0.00 0.00 177.93 178.79 3ag1 h GLY 205 N 0.38 1.10 1.40 5.26 0.00 0.10 0.17 103.07 111.48 3ag1 h GLY 205 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3ag1 h GLY 205 CO 0.04 0.28 0.03 -2.00 0.00 0.00 0.00 176.54 174.89 3ag1 h LEU 206 N 0.89 0.70 -0.59 3.11 5.85 -0.87 -2.34 115.31 122.06 3ag1 h LEU 206 Ca 0.33 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 3ag1 h LEU 206 Cb 0.18 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3ag1 h LEU 206 CO -0.11 0.76 -0.66 0.45 -0.34 0.00 0.00 178.44 178.53 3ag1 h HIS 207 N 0.70 0.25 -0.77 1.25 3.86 -0.06 -0.49 115.15 119.88 3ag1 h HIS 207 Ca 0.14 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 3ag1 h HIS 207 Cb 0.39 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 3ag1 h HIS 207 CO 0.02 0.79 0.35 0.28 0.86 0.00 0.00 177.93 180.23 3ag1 h VAL 208 N 0.13 1.25 -0.39 2.45 2.07 -0.59 0.12 116.25 121.28 3ag1 h VAL 208 Ca -0.01 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 3ag1 h VAL 208 Cb 1.19 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3ag1 h VAL 208 CO 0.10 0.30 -0.23 0.40 0.02 0.00 0.00 177.57 178.16 3ag1 h ILE 209 N 1.09 1.27 -0.40 4.57 2.04 -1.18 0.32 117.51 125.21 3ag1 h ILE 209 Ca 0.26 -1.36 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 3ag1 h ILE 209 Cb 0.15 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3ag1 h ILE 209 CO -0.03 0.45 -0.15 0.40 0.00 0.00 0.00 178.15 178.83 3ag1 h ILE 210 N 0.69 1.28 -0.60 -0.67 2.04 -0.88 -1.64 117.51 117.73 3ag1 h ILE 210 Ca 0.09 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 3ag1 h ILE 210 Cb 0.75 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3ag1 h ILE 210 CO 0.06 0.42 0.13 1.23 0.00 0.00 0.00 178.15 179.99 3ag1 h GLY 211 N 0.62 1.04 1.00 5.37 0.00 -0.80 -1.12 103.07 109.19 3ag1 h GLY 211 Ca 0.10 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3ag1 h GLY 211 CO 0.05 0.62 0.37 1.76 0.00 0.00 0.00 176.54 179.34 3ag1 h SER 212 N 0.87 0.70 -0.53 0.19 0.02 -0.84 -0.81 113.55 113.16 3ag1 h SER 212 Ca 0.18 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3ag1 h SER 212 Cb 0.38 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3ag1 h SER 212 CO 0.01 0.54 0.34 0.74 -1.14 0.00 0.00 176.83 177.32 3ag1 h THR 213 N 0.80 1.15 -0.48 -2.27 2.02 -1.18 -0.41 112.91 112.54 3ag1 h THR 213 Ca 0.21 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3ag1 h THR 213 Cb -0.04 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3ag1 h THR 213 CO -0.04 0.14 0.26 0.15 0.37 0.00 0.00 175.52 176.40 3ag1 h PHE 214 N 0.72 0.66 -0.49 3.16 3.04 -0.93 -0.49 116.94 122.61 3ag1 h PHE 214 Ca 0.19 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 3ag1 h PHE 214 Cb -0.06 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.22 3ag1 h PHE 214 CO -0.03 0.50 0.27 -0.07 -2.02 0.00 0.00 178.31 176.95 3ag1 h LEU 215 N 0.63 0.60 -0.45 0.59 3.38 -0.77 -1.51 115.31 117.78 3ag1 h LEU 215 Ca 0.17 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3ag1 h LEU 215 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ag1 h LEU 215 CO -0.03 0.49 -0.22 0.40 0.09 0.00 0.00 178.44 179.17 3ag1 h ILE 216 N 0.68 1.27 -0.61 1.22 2.04 -0.39 0.25 117.51 121.98 3ag1 h ILE 216 Ca 0.18 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.69 3ag1 h ILE 216 Cb 0.02 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3ag1 h ILE 216 CO -0.03 0.47 0.36 0.58 0.00 0.00 0.00 178.15 179.53 3ag1 h VAL 217 N 0.79 1.03 -0.89 1.67 2.07 -0.77 -1.22 116.25 118.92 3ag1 h VAL 217 Ca 0.10 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3ag1 h VAL 217 Cb 0.80 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3ag1 h VAL 217 CO 0.07 0.13 0.53 0.00 0.02 0.00 0.00 177.57 178.31 3ag1 h PHE 219 N 1.24 -0.49 -0.50 0.00 3.57 0.24 -1.39 116.94 119.61 3ag1 h PHE 219 Ca 0.32 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 3ag1 h PHE 219 Cb -0.04 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3ag1 h PHE 219 CO 0.01 -0.27 0.04 0.74 -2.23 0.00 0.00 178.31 176.59 3ag1 h PHE 220 N -0.31 0.85 -0.53 0.41 0.04 -1.24 0.16 116.94 116.33 3ag1 h PHE 220 Ca 0.05 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3ag1 h PHE 220 Cb 0.38 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3ag1 h PHE 220 CO -0.23 0.76 0.08 0.00 -0.60 0.00 0.00 178.31 178.32 3ag1 h ARG 221 N 0.76 0.83 -0.22 1.51 3.08 -1.25 -1.57 114.38 117.52 3ag1 h ARG 221 Ca 0.15 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3ag1 h ARG 221 Cb 0.41 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3ag1 h ARG 221 CO 0.01 0.78 -0.34 0.37 -1.07 0.00 0.00 179.97 179.73 3ag1 h GLN 222 N 0.79 0.61 -1.01 0.04 5.75 -0.79 -0.86 115.11 119.65 3ag1 h GLN 222 Ca 0.17 -0.37 0.23 0.00 -0.15 0.00 0.00 58.65 58.53 3ag1 h GLN 222 Cb 0.36 0.03 -0.11 0.00 1.07 0.00 0.00 27.48 28.83 3ag1 h GLN 222 CO 0.01 0.98 0.62 -0.07 -2.65 0.00 0.00 178.83 177.71 3ag1 h LEU 223 N 0.30 0.65 -1.26 -2.39 3.38 -0.61 0.16 115.31 115.54 3ag1 h LEU 223 Ca 0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ag1 h LEU 223 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ag1 h LEU 223 CO 0.08 0.15 0.00 0.29 0.09 0.00 0.00 178.44 179.05 3ag1 n LYS 224 N -4.79 1.85 -1.27 1.13 5.02 -0.62 -4.93 118.16 114.55 3ag1 n LYS 224 Ca 0.25 -0.98 -0.09 0.00 -2.02 0.00 0.00 58.31 55.47 3ag1 n LYS 224 Cb 0.73 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 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 0.24 0.00 0.10 2.13 3.01 0.55 -4.89 117.46 118.59 3ag1 n PHE 225 Ca 0.09 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.58 3ag1 n PHE 225 Cb 0.34 -2.23 0.42 0.00 -0.01 0.00 0.00 39.48 38.00 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 0.30 -3.38 1.38 3.86 -1.39 -3.44 115.15 112.48 3ag1 h HIS 226 Ca -0.19 -0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 58.45 3ag1 h HIS 226 Cb 0.91 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 3ag1 h HIS 226 CO 0.46 0.33 0.04 -0.06 0.86 0.00 0.00 177.93 179.55 3ag1 s PHE 227 N -4.96 3.78 0.47 2.45 0.08 -1.26 -4.98 117.98 113.56 3ag1 s PHE 227 Ca -0.06 1.36 0.06 0.00 0.12 0.00 0.00 56.93 58.42 3ag1 s PHE 227 Cb 0.16 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 3ag1 s PHE 227 CO 0.73 0.50 0.65 0.95 -0.10 0.00 0.00 175.22 177.95 3ag1 s THR 228 N -1.24 2.83 -0.02 0.64 -4.23 -0.99 -4.99 115.64 107.63 3ag1 s THR 228 Ca 0.34 -0.91 0.32 0.00 -1.18 0.00 0.00 61.69 60.26 3ag1 s THR 228 Cb -0.19 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.09 3ag1 s THR 228 CO 0.21 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 176.99 3ag1 h SER 229 N 0.43 0.00 0.00 3.99 4.64 -1.89 -3.17 113.55 117.55 3ag1 h SER 229 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 3ag1 h SER 229 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3ag1 h SER 229 CO 0.46 0.00 -1.78 0.59 -0.87 0.00 0.00 176.83 175.23 3ag1 n ASN 230 N -2.88 1.68 -3.95 4.97 3.02 -1.26 -4.39 115.26 112.44 3ag1 n ASN 230 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.25 3ag1 n ASN 230 Cb 0.28 1.30 -0.15 0.00 -0.61 0.00 0.00 39.78 40.59 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 -2.71 3.07 -0.40 3.10 2.46 -1.20 -4.92 115.29 114.68 3ag1 s HIS 231 Ca -0.06 -2.47 0.10 0.00 0.47 0.00 0.00 55.06 53.10 3ag1 s HIS 231 Cb 0.07 -2.35 0.37 0.00 -0.13 0.00 0.00 32.58 30.54 3ag1 s HIS 231 CO 0.58 -0.90 1.15 -2.39 -2.47 0.00 0.00 174.74 170.72 3ag1 n HIS 232 N 4.46 -1.78 -0.31 3.88 1.44 -1.26 -2.35 115.22 119.30 3ag1 n HIS 232 Ca -0.02 -2.32 -0.03 0.00 -2.01 0.00 0.00 57.72 53.34 3ag1 n HIS 232 Cb 0.42 1.10 0.13 0.00 0.12 0.00 0.00 29.99 31.76 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 2.57 1.17 -1.01 -1.40 3.04 -1.97 -2.05 116.94 117.29 3ag1 h PHE 233 Ca -0.16 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.02 3ag1 h PHE 233 Cb 1.18 -0.38 -0.12 0.00 2.56 0.00 0.00 35.95 39.19 3ag1 h PHE 233 CO 0.28 0.80 0.61 0.78 -2.02 0.00 0.00 178.31 178.76 3ag1 h GLY 234 N 1.23 1.80 1.13 2.40 0.00 -1.99 0.14 103.07 107.77 3ag1 h GLY 234 Ca 0.31 -0.31 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 3ag1 h GLY 234 CO -0.05 -0.20 -0.95 -2.75 0.00 0.00 0.00 176.54 172.59 3ag1 h PHE 235 N 0.59 0.97 -0.14 5.60 3.57 -1.81 -2.60 116.94 123.12 3ag1 h PHE 235 Ca 0.63 -0.53 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3ag1 h PHE 235 Cb 1.20 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3ag1 h PHE 235 CO -0.01 1.36 0.05 0.93 -2.23 0.00 0.00 178.31 178.41 3ag1 h GLU 236 N 0.31 0.22 -0.90 1.11 5.08 -0.76 -1.79 114.58 117.84 3ag1 h GLU 236 Ca -0.12 -0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.40 3ag1 h GLU 236 Cb 1.62 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.72 3ag1 h GLU 236 CO 0.19 0.33 0.45 0.00 -1.00 0.00 0.00 179.01 178.98 3ag1 h ALA 237 N 0.88 1.45 -0.14 3.43 0.00 -0.84 -1.61 119.26 122.42 3ag1 h ALA 237 Ca 0.05 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3ag1 h ALA 237 Cb 0.20 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ag1 h ALA 237 CO -0.00 -0.22 -0.60 0.00 0.00 0.00 0.00 179.25 178.42 3ag1 h ALA 238 N 1.66 0.69 -0.18 0.00 0.00 -1.24 -1.08 119.26 119.10 3ag1 h ALA 238 Ca 0.54 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ag1 h ALA 238 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ag1 h ALA 238 CO -0.45 0.71 0.03 0.00 0.00 0.00 0.00 179.25 179.53 3ag1 h ALA 239 N 0.98 0.23 -0.73 0.00 0.00 -1.06 -0.61 119.26 118.08 3ag1 h ALA 239 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ag1 h ALA 239 Cb 1.15 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3ag1 h ALA 239 CO 0.11 -0.10 0.45 -1.49 0.00 0.00 0.00 179.25 178.23 3ag1 h TRP 240 N 0.08 0.84 -0.10 0.00 6.55 -1.26 -0.62 115.95 121.44 3ag1 h TRP 240 Ca 0.05 0.02 -0.11 0.00 0.95 0.00 0.00 58.89 59.80 3ag1 h TRP 240 Cb 0.31 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.33 3ag1 h TRP 240 CO 0.02 0.47 -0.44 -0.92 -1.05 0.00 0.00 178.44 176.52 3ag1 h TYR 241 N 0.87 0.29 -0.16 0.49 3.20 -1.13 -1.75 116.97 118.77 3ag1 h TYR 241 Ca 0.30 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 3ag1 h TYR 241 Cb 0.05 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3ag1 h TYR 241 CO -0.04 0.64 -0.45 2.35 -1.64 0.00 0.00 178.16 179.02 3ag1 h TRP 242 N 0.20 0.76 -0.82 -3.82 2.91 -0.68 -2.34 115.95 112.16 3ag1 h TRP 242 Ca 0.01 -0.30 0.10 0.00 1.13 0.00 0.00 58.89 59.84 3ag1 h TRP 242 Cb 0.86 -0.13 -0.08 0.00 -0.51 0.00 0.00 29.16 29.31 3ag1 h TRP 242 CO 0.02 1.07 0.46 0.45 -1.03 0.00 0.00 178.44 179.40 3ag1 h HIS 243 N 0.24 0.83 -0.28 2.65 3.86 -1.02 -1.81 115.15 119.62 3ag1 h HIS 243 Ca -0.01 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3ag1 h HIS 243 Cb 1.07 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 29.23 3ag1 h HIS 243 CO 0.10 0.32 -0.12 0.35 0.86 0.00 0.00 177.93 179.44 3ag1 h PHE 244 N 0.76 -0.29 -0.40 2.45 3.04 -1.18 -0.29 116.94 121.02 3ag1 h PHE 244 Ca 0.40 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.35 3ag1 h PHE 244 Cb 0.40 0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 3ag1 h PHE 244 CO -0.07 -0.19 0.09 0.28 -2.02 0.00 0.00 178.31 176.41 3ag1 h VAL 245 N -0.08 1.18 -0.46 1.41 2.07 -1.14 -0.95 116.25 118.28 3ag1 h VAL 245 Ca 0.14 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3ag1 h VAL 245 Cb 0.30 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3ag1 h VAL 245 CO -0.33 0.24 0.14 -0.78 0.02 0.00 0.00 177.57 176.85 3ag1 h ASP 246 N 0.58 0.68 -0.28 0.57 1.82 -0.80 -2.18 116.42 116.82 3ag1 h ASP 246 Ca 0.13 -0.21 -0.15 0.00 -0.39 0.00 0.00 57.03 56.41 3ag1 h ASP 246 Cb 0.23 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 3ag1 h ASP 246 CO -0.00 0.71 -0.40 0.58 -1.61 0.00 0.00 179.24 178.52 3ag1 h VAL 247 N 0.61 1.28 -0.41 2.25 2.07 -0.51 -2.17 116.25 119.37 3ag1 h VAL 247 Ca 0.15 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 3ag1 h VAL 247 Cb 0.28 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3ag1 h VAL 247 CO -0.00 0.52 -0.02 0.58 0.02 0.00 0.00 177.57 178.67 3ag1 h VAL 248 N 0.67 1.23 -0.14 2.57 2.07 -1.20 -1.82 116.25 119.63 3ag1 h VAL 248 Ca 0.05 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3ag1 h VAL 248 Cb 0.97 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ag1 h VAL 248 CO 0.09 0.33 0.06 -0.25 0.02 0.00 0.00 177.57 177.82 3ag1 h TRP 249 N 0.64 0.21 -0.82 1.57 2.91 -0.99 -1.28 115.95 118.19 3ag1 h TRP 249 Ca 0.13 -0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.29 3ag1 h TRP 249 Cb 0.42 -0.06 -0.10 0.00 -0.51 0.00 0.00 29.16 28.91 3ag1 h TRP 249 CO 0.02 0.28 0.36 -0.07 -1.03 0.00 0.00 178.44 178.00 3ag1 h LEU 250 N 0.08 0.37 -0.55 0.65 3.38 -0.84 0.15 115.31 118.55 3ag1 h LEU 250 Ca 0.05 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3ag1 h LEU 250 Cb 0.16 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ag1 h LEU 250 CO -0.00 0.12 -0.09 -0.26 0.09 0.00 0.00 178.44 178.29 3ag1 h PHE 251 N 0.49 1.16 -0.70 1.13 -1.00 -0.96 -0.92 116.94 116.14 3ag1 h PHE 251 Ca 0.46 -0.24 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 3ag1 h PHE 251 Cb 0.73 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 3ag1 h PHE 251 CO -0.14 1.06 0.23 -0.07 -1.61 0.00 0.00 178.31 177.78 3ag1 h LEU 252 N 0.92 0.99 -0.09 1.54 3.38 -0.26 -0.56 115.31 121.24 3ag1 h LEU 252 Ca 0.14 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3ag1 h LEU 252 Cb 0.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ag1 h LEU 252 CO 0.05 0.92 -0.14 0.22 0.09 0.00 0.00 178.44 179.57 3ag1 h TYR 253 N 1.03 0.31 -0.63 1.13 3.20 -0.43 0.16 116.97 121.74 3ag1 h TYR 253 Ca 0.23 -0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3ag1 h TYR 253 Cb 0.27 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3ag1 h TYR 253 CO 0.02 0.73 0.07 0.28 -1.64 0.00 0.00 178.16 177.62 3ag1 h VAL 254 N -0.19 1.26 0.00 1.81 2.07 -1.13 -1.78 116.25 118.29 3ag1 h VAL 254 Ca 0.01 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3ag1 h VAL 254 Cb 0.70 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3ag1 h VAL 254 CO 0.03 0.39 -0.04 0.28 0.02 0.00 0.00 177.57 178.25 3ag1 h SER 255 N 0.99 0.00 0.04 0.57 0.02 -0.88 -0.37 113.55 113.92 3ag1 h SER 255 Ca 0.19 -0.67 -0.35 0.00 -0.84 0.00 0.00 61.79 60.12 3ag1 h SER 255 Cb 0.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 3ag1 h SER 255 CO 0.02 0.86 -1.97 -0.38 -1.14 0.00 0.00 176.83 174.21 3ag1 n ILE 256 N -4.66 1.60 0.09 3.27 5.41 0.53 -1.69 119.36 123.91 3ag1 n ILE 256 Ca -0.08 -0.38 -0.16 0.00 1.00 0.00 0.00 62.75 63.13 3ag1 n ILE 256 Cb 0.34 -1.81 -0.10 0.00 -0.71 0.00 0.00 39.64 37.35 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 -0.52 0.65 0.00 1.39 0.05 -1.39 -3.30 116.97 113.84 3ag1 h TYR 257 Ca -0.49 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 57.87 3ag1 h TYR 257 Cb 1.69 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.38 3ag1 h TYR 257 CO 0.04 1.28 0.00 1.87 -1.05 0.00 0.00 178.16 180.29 3ag1 n TRP 258 N -3.67 0.00 -0.37 4.88 -0.00 -0.68 -3.99 117.44 113.62 3ag1 n TRP 258 Ca -0.09 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.46 3ag1 n TRP 258 Cb 0.95 -0.03 0.21 0.00 -0.00 0.00 0.00 31.31 32.44 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 0.00 1.17 -0.29 5.87 7.01 -1.19 -1.98 115.95 126.54 3ag1 h TRP 259 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3ag1 h TRP 259 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 26.68 3ag1 h TRP 259 CO 0.00 0.54 0.00 0.41 -2.79 0.00 0.00 178.44 176.60 3ag1 n GLY 260 N -1.36 1.83 0.89 2.65 0.00 -0.68 -5.03 105.19 103.50 3ag1 n GLY 260 Ca 0.17 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3ag1 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18