#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s GLN 4 N 0.00 3.39 -0.14 1.57 -2.07 -1.26 -4.99 119.66 116.16 3abl s GLN 4 Ca 0.00 -0.34 0.16 0.00 -1.82 0.00 0.00 55.36 53.35 3abl s GLN 4 Cb 0.00 -3.07 0.40 0.00 -1.09 0.00 0.00 33.01 29.25 3abl s GLN 4 CO 0.00 0.67 1.19 0.25 -1.32 0.00 0.00 175.29 176.08 3abl n THR 5 N 0.98 1.46 -4.26 3.63 -2.24 -1.26 -5.01 114.28 107.58 3abl n THR 5 Ca -0.11 -2.40 -0.25 0.00 -2.27 0.00 0.00 64.05 59.02 3abl n THR 5 Cb 0.53 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 3abl n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3abl s HIS 6 N -2.15 2.58 -2.48 4.78 0.00 -1.26 -5.07 115.29 111.69 3abl s HIS 6 Ca 0.35 -0.52 0.25 0.00 -3.00 0.00 0.00 55.06 52.13 3abl s HIS 6 Cb 0.35 -1.74 0.79 0.00 -4.00 0.00 0.00 32.58 27.99 3abl s HIS 6 CO -0.09 0.34 1.59 0.00 -1.00 0.00 0.00 174.74 175.58 3abl n ALA 7 N -1.09 2.53 -2.06 -1.38 0.00 -1.26 -4.99 120.51 112.25 3abl n ALA 7 Ca -0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.57 3abl n ALA 7 Cb 0.64 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3abl n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3abl s TYR 8 N -1.88 3.56 -0.34 0.00 2.02 -1.26 -4.56 117.35 114.88 3abl s TYR 8 Ca 0.35 1.10 -0.17 0.00 -0.37 0.00 0.00 57.07 57.98 3abl s TYR 8 Cb 0.20 -2.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 3abl s TYR 8 CO 0.30 -0.41 0.43 -1.58 -1.57 0.00 0.00 175.55 172.73 3abl s HIS 9 N -2.83 3.20 -0.35 2.71 2.46 -1.26 -5.04 115.29 114.19 3abl s HIS 9 Ca 0.52 0.09 -0.23 0.00 0.47 0.00 0.00 55.06 55.92 3abl s HIS 9 Cb -0.10 -2.78 0.01 0.00 -0.13 0.00 0.00 32.58 29.57 3abl s HIS 9 CO 0.44 -0.47 0.76 -1.64 -2.47 0.00 0.00 174.74 171.36 3abl s MET 10 N 2.19 3.80 0.00 2.88 -1.94 -1.26 -5.04 119.30 119.93 3abl s MET 10 Ca 0.15 0.34 -0.10 0.00 -1.71 0.00 0.00 55.69 54.38 3abl s MET 10 Cb -0.16 -3.79 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 3abl s MET 10 CO 0.12 -0.78 0.32 0.08 -0.01 0.00 0.00 175.02 174.75 3abl s VAL 11 N 2.99 5.20 0.32 -6.03 1.01 -1.26 -5.00 120.40 117.63 3abl s VAL 11 Ca 0.30 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3abl s VAL 11 Cb -0.14 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 3abl s VAL 11 CO 0.15 0.45 1.35 0.20 0.00 0.00 0.00 175.10 177.26 3abl s ASN 12 N -1.42 6.71 0.34 3.32 0.02 -1.26 -4.90 114.94 117.75 3abl s ASN 12 Ca 0.26 2.71 -0.26 0.00 -1.02 0.00 0.00 52.86 54.55 3abl s ASN 12 Cb -0.14 -2.64 -0.13 0.00 0.02 0.00 0.00 41.25 38.35 3abl s ASN 12 CO 0.14 -0.60 0.80 -2.65 0.02 0.00 0.00 177.10 174.80 3abl n PRO 13 N 1.11 0.92 -3.87 -0.60 -0.02 -1.26 -4.94 135.00 126.34 3abl n PRO 13 Ca 0.02 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3abl n PRO 13 Cb 0.41 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.11 3abl n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3abl s SER 14 N -0.77 0.00 0.25 2.55 0.15 -1.26 -5.04 113.70 109.58 3abl s SER 14 Ca 0.61 -0.01 0.24 0.00 0.70 0.00 0.00 55.95 57.50 3abl s SER 14 Cb -0.68 0.05 0.43 0.00 -1.71 0.00 0.00 66.02 64.10 3abl s SER 14 CO 0.58 -0.03 1.49 1.55 1.20 0.00 0.00 173.24 178.03 3abl h PRO 15 N 5.99 0.00 -0.33 5.44 0.13 -2.02 -3.39 132.00 137.81 3abl h PRO 15 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 3abl h PRO 15 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3abl h PRO 15 CO 0.49 0.00 -0.16 -1.49 -0.23 0.00 0.00 178.00 176.61 3abl h TRP 16 N 0.00 0.65 -0.33 1.56 -0.00 -1.96 -0.70 115.95 115.17 3abl h TRP 16 Ca 0.00 -0.12 0.06 0.00 -0.00 0.00 0.00 58.89 58.83 3abl h TRP 16 Cb 0.85 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 29.79 3abl h TRP 16 CO 0.00 0.72 -0.01 -1.35 -0.00 0.00 0.00 178.44 177.80 3abl h PRO 17 N 0.54 0.08 -0.30 0.49 0.11 -1.98 0.37 132.00 131.31 3abl h PRO 17 Ca 0.09 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.21 3abl h PRO 17 Cb 0.59 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3abl h PRO 17 CO 0.04 0.05 0.15 1.25 -0.21 0.00 0.00 178.00 179.28 3abl h LEU 18 N 0.08 0.22 -1.22 2.35 5.85 -1.69 -1.20 115.31 119.71 3abl h LEU 18 Ca 0.16 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3abl h LEU 18 Cb 0.22 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3abl h LEU 18 CO -0.27 0.17 -0.38 0.71 -0.34 0.00 0.00 178.44 178.33 3abl h THR 19 N 0.31 1.19 -0.07 1.05 1.35 -0.80 -1.15 112.91 114.80 3abl h THR 19 Ca 0.12 -1.34 -0.03 0.00 -0.55 0.00 0.00 66.41 64.62 3abl h THR 19 Cb 0.04 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3abl h THR 19 CO -0.08 0.37 -0.06 1.23 -0.25 0.00 0.00 175.52 176.73 3abl h GLY 20 N 1.27 0.17 0.79 5.82 0.00 0.08 0.22 103.07 111.43 3abl h GLY 20 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3abl h GLY 20 CO 0.05 0.15 0.10 0.00 0.00 0.00 0.00 176.54 176.85 3abl h ALA 21 N 0.57 0.32 -0.61 3.60 0.00 -1.02 -1.94 119.26 120.18 3abl h ALA 21 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3abl h ALA 21 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3abl h ALA 21 CO 0.01 -0.30 0.19 -0.07 0.00 0.00 0.00 179.25 179.08 3abl h LEU 22 N 0.23 0.87 -1.27 0.00 3.38 -1.09 -1.07 115.31 116.37 3abl h LEU 22 Ca 0.12 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3abl h LEU 22 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3abl h LEU 22 CO -0.12 0.82 -0.12 0.77 0.09 0.00 0.00 178.44 179.87 3abl h SER 23 N 0.90 0.33 -0.58 -0.43 4.64 -0.07 0.58 113.55 118.93 3abl h SER 23 Ca 0.20 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 3abl h SER 23 Cb 0.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3abl h SER 23 CO -0.01 0.49 0.02 0.00 -0.87 0.00 0.00 176.83 176.46 3abl h ALA 24 N 1.55 0.91 -0.48 5.18 0.00 -0.80 0.42 119.26 126.04 3abl h ALA 24 Ca 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3abl h ALA 24 Cb 0.42 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3abl h ALA 24 CO 0.02 0.65 0.17 1.25 0.00 0.00 0.00 179.25 181.35 3abl h LEU 25 N 0.95 0.18 -0.13 0.00 5.85 -0.07 -2.13 115.31 119.95 3abl h LEU 25 Ca 0.18 0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 3abl h LEU 25 Cb 0.52 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.60 3abl h LEU 25 CO 0.02 0.13 -0.86 -0.07 -0.34 0.00 0.00 178.44 177.33 3abl h LEU 26 N 0.35 0.90 -0.68 2.25 3.38 -0.10 -0.79 115.31 120.61 3abl h LEU 26 Ca 0.23 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 3abl h LEU 26 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3abl h LEU 26 CO -0.23 1.43 0.27 0.24 0.09 0.00 0.00 178.44 180.24 3abl h MET 27 N 0.48 1.02 0.21 1.13 2.86 -0.16 0.22 114.93 120.69 3abl h MET 27 Ca -0.07 -0.18 -0.33 0.00 -2.06 0.00 0.00 59.70 57.05 3abl h MET 27 Cb 1.49 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 33.01 3abl h MET 27 CO 0.17 0.85 -1.55 1.79 1.06 0.00 0.00 176.91 179.23 3abl h THR 28 N 0.97 1.14 -0.64 2.22 1.35 -1.34 -1.26 112.91 115.35 3abl h THR 28 Ca 0.23 -2.59 0.13 0.00 -0.55 0.00 0.00 66.41 63.62 3abl h THR 28 Cb 0.21 2.93 -0.10 0.00 -1.73 0.00 0.00 68.15 69.45 3abl h THR 28 CO -0.02 0.82 0.07 -1.28 -0.25 0.00 0.00 175.52 174.86 3abl h SER 29 N 0.07 -0.15 -0.37 5.36 0.87 -1.20 -1.10 113.55 117.03 3abl h SER 29 Ca -0.29 0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.28 3abl h SER 29 Cb 2.09 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 64.26 3abl h SER 29 CO 0.22 -0.07 -0.25 1.23 -0.53 0.00 0.00 176.83 177.42 3abl h GLY 30 N 0.18 0.96 1.30 5.77 0.00 -0.43 -1.02 103.07 109.84 3abl h GLY 30 Ca 0.34 -0.87 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 3abl h GLY 30 CO -0.49 0.79 -0.33 1.41 0.00 0.00 0.00 176.54 177.91 3abl h LEU 31 N 0.76 0.81 -0.39 3.11 3.38 -0.82 -0.12 115.31 122.04 3abl h LEU 31 Ca 0.09 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.80 3abl h LEU 31 Cb 0.81 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3abl h LEU 31 CO 0.07 1.07 -0.08 0.74 0.09 0.00 0.00 178.44 180.32 3abl h THR 32 N 0.65 0.62 -0.75 0.22 2.02 -0.96 0.26 112.91 114.97 3abl h THR 32 Ca 0.07 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3abl h THR 32 Cb 0.87 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3abl h THR 32 CO 0.08 0.00 0.46 -0.03 0.37 0.00 0.00 175.52 176.40 3abl h MET 33 N 0.01 1.00 -0.06 6.66 4.05 -0.46 0.15 114.93 126.29 3abl h MET 33 Ca 0.19 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3abl h MET 33 Cb 0.29 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 3abl h MET 33 CO -0.39 0.70 0.03 2.35 0.23 0.00 0.00 176.91 179.82 3abl h TRP 34 N 1.02 0.08 -0.15 1.39 7.01 -0.58 0.25 115.95 124.97 3abl h TRP 34 Ca 0.27 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.16 3abl h TRP 34 Cb -0.06 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 3abl h TRP 34 CO -0.01 0.18 -0.36 0.74 -2.79 0.00 0.00 178.44 176.20 3abl h PHE 35 N -0.04 0.36 0.00 2.65 0.04 -0.24 -3.31 116.94 116.39 3abl h PHE 35 Ca 0.02 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3abl h PHE 35 Cb 0.13 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3abl h PHE 35 CO -0.03 0.63 -0.99 0.72 -0.60 0.00 0.00 178.31 178.04 3abl n HIS 36 N -4.06 0.00 -1.76 -0.55 8.25 0.02 -4.75 115.22 112.37 3abl n HIS 36 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 3abl n HIS 36 Cb 0.45 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.65 3abl n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3abl n PHE 37 N -1.60 0.00 -3.97 4.41 3.72 0.81 -5.01 117.46 115.83 3abl n PHE 37 Ca 0.00 -0.68 -0.29 0.00 -0.05 0.00 0.00 57.45 56.44 3abl n PHE 37 Cb 0.11 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3abl n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3abl n ASN 38 N -0.52 -2.26 -3.78 4.37 5.15 -0.77 -4.87 115.26 112.57 3abl n ASN 38 Ca 0.09 -0.92 -0.13 0.00 -0.60 0.00 0.00 54.58 53.02 3abl n ASN 38 Cb 0.77 -3.34 -0.11 0.00 -0.53 0.00 0.00 39.78 36.57 3abl n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3abl s SER 39 N -3.85 -0.25 0.00 1.20 0.15 -1.07 -5.00 113.70 104.88 3abl s SER 39 Ca 0.34 0.42 0.17 0.00 0.70 0.00 0.00 55.95 57.58 3abl s SER 39 Cb -0.18 0.50 0.42 0.00 -1.71 0.00 0.00 66.02 65.05 3abl s SER 39 CO 0.87 -0.18 1.34 0.23 1.20 0.00 0.00 173.24 176.70 3abl n MET 40 N 2.51 2.57 0.25 5.44 2.81 -1.26 -2.24 117.12 127.20 3abl n MET 40 Ca -0.15 -2.22 -0.11 0.00 -1.81 0.00 0.00 57.70 53.41 3abl n MET 40 Cb 0.57 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.63 3abl n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3abl h THR 41 N 3.19 0.07 -0.58 2.03 2.02 -1.97 -1.92 112.91 115.76 3abl h THR 41 Ca 0.00 -0.50 0.12 0.00 0.77 0.00 0.00 66.41 66.80 3abl h THR 41 Cb 0.84 0.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.26 3abl h THR 41 CO 0.00 0.02 0.01 -0.07 0.37 0.00 0.00 175.52 175.84 3abl h LEU 42 N -1.16 -0.24 -0.68 2.58 3.38 -1.89 -2.47 115.31 114.83 3abl h LEU 42 Ca -0.07 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3abl h LEU 42 Cb 0.56 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 3abl h LEU 42 CO 0.12 -0.09 0.32 0.25 0.09 0.00 0.00 178.44 179.12 3abl h LEU 43 N 0.13 0.40 -0.49 1.67 5.85 -1.70 0.32 115.31 121.49 3abl h LEU 43 Ca 0.30 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.95 3abl h LEU 43 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3abl h LEU 43 CO -0.49 0.23 -0.22 0.24 -0.34 0.00 0.00 178.44 177.86 3abl h MET 44 N 0.55 1.01 -0.32 1.25 2.86 -0.93 0.13 114.93 119.47 3abl h MET 44 Ca 0.34 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3abl h MET 44 Cb 0.37 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3abl h MET 44 CO -0.28 1.11 0.20 0.82 1.06 0.00 0.00 176.91 179.82 3abl h ILE 45 N 0.87 1.05 -0.06 -1.22 2.04 -1.05 -1.58 117.51 117.55 3abl h ILE 45 Ca 0.11 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3abl h ILE 45 Cb 0.80 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3abl h ILE 45 CO 0.07 0.07 0.04 1.23 0.00 0.00 0.00 178.15 179.56 3abl h GLY 46 N 0.40 0.09 1.33 5.37 0.00 -0.58 -0.31 103.07 109.36 3abl h GLY 46 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.44 3abl h GLY 46 CO -0.05 0.03 0.41 1.41 0.00 0.00 0.00 176.54 178.35 3abl h LEU 47 N 0.06 0.67 -0.04 3.11 3.38 -0.65 0.23 115.31 122.07 3abl h LEU 47 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3abl h LEU 47 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3abl h LEU 47 CO -0.00 0.47 -0.09 0.74 0.09 0.00 0.00 178.44 179.65 3abl h THR 48 N 0.78 1.44 0.00 0.22 2.02 -0.78 -1.79 112.91 114.80 3abl h THR 48 Ca 0.24 -1.43 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 3abl h THR 48 Cb -0.00 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3abl h THR 48 CO -0.06 0.39 -0.46 0.71 0.37 0.00 0.00 175.52 176.47 3abl h THR 49 N -0.39 1.13 0.07 3.16 1.35 -0.69 -1.38 112.91 116.16 3abl h THR 49 Ca 0.00 -1.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3abl h THR 49 Cb 0.68 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3abl h THR 49 CO 0.02 0.46 -0.03 -1.13 -0.25 0.00 0.00 175.52 174.58 3abl h ASN 50 N 0.00 -0.08 -1.00 5.36 -1.24 -0.89 0.22 115.58 117.96 3abl h ASN 50 Ca -0.00 -0.11 0.04 0.00 0.71 0.00 0.00 56.30 56.93 3abl h ASN 50 Cb 0.94 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.95 3abl h ASN 50 CO 0.06 0.07 0.65 0.24 -1.29 0.00 0.00 177.43 177.16 3abl h MET 51 N -0.22 1.21 -0.31 6.67 2.86 -0.94 -1.28 114.93 122.92 3abl h MET 51 Ca -0.01 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3abl h MET 51 Cb 0.19 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3abl h MET 51 CO 0.02 0.80 0.11 -0.07 1.06 0.00 0.00 176.91 178.82 3abl h LEU 52 N 1.24 0.45 -0.01 1.22 3.38 -1.16 -0.74 115.31 119.69 3abl h LEU 52 Ca 0.40 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3abl h LEU 52 Cb 0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3abl h LEU 52 CO -0.13 0.52 -0.22 0.74 0.09 0.00 0.00 178.44 179.43 3abl h THR 53 N 0.35 0.48 -0.30 0.22 2.02 -0.45 -1.33 112.91 113.90 3abl h THR 53 Ca 0.10 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3abl h THR 53 Cb 0.23 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3abl h THR 53 CO -0.00 0.00 0.10 0.24 0.37 0.00 0.00 175.52 176.22 3abl h MET 54 N -0.35 0.22 -0.02 6.66 2.86 -1.20 -0.38 114.93 122.72 3abl h MET 54 Ca 0.06 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3abl h MET 54 Cb 0.43 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3abl h MET 54 CO -0.21 0.15 -0.33 -0.92 1.06 0.00 0.00 176.91 176.66 3abl h TYR 55 N 0.23 -0.90 -0.17 -0.22 3.20 -0.97 -1.62 116.97 116.51 3abl h TYR 55 Ca 0.13 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 3abl h TYR 55 Cb 0.10 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3abl h TYR 55 CO -0.14 -0.42 -0.58 1.96 -1.64 0.00 0.00 178.16 177.35 3abl h GLN 56 N -0.47 0.55 0.30 1.82 4.20 -0.97 0.16 115.11 120.69 3abl h GLN 56 Ca 0.06 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 3abl h GLN 56 Cb 0.56 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3abl h GLN 56 CO -0.28 0.97 -0.14 2.35 -0.67 0.00 0.00 178.83 181.06 3abl h TRP 57 N 0.41 -0.37 -0.54 2.96 2.91 -1.03 0.57 115.95 120.86 3abl h TRP 57 Ca 0.00 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.93 3abl h TRP 57 Cb 1.13 0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.88 3abl h TRP 57 CO 0.05 -0.05 -0.01 -1.49 -1.03 0.00 0.00 178.44 175.90 3abl h TRP 58 N -0.71 1.01 -0.62 2.65 6.55 -1.28 -2.28 115.95 121.27 3abl h TRP 58 Ca -0.04 -0.16 0.12 0.00 0.95 0.00 0.00 58.89 59.75 3abl h TRP 58 Cb 0.48 -0.27 -0.12 0.00 -0.86 0.00 0.00 29.16 28.40 3abl h TRP 58 CO 0.02 0.91 -0.26 -0.09 -1.05 0.00 0.00 178.44 177.97 3abl h ARG 59 N 0.86 -0.10 -0.35 0.49 2.43 -0.94 -1.95 114.38 114.83 3abl h ARG 59 Ca 0.16 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3abl h ARG 59 Cb 0.52 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3abl h ARG 59 CO 0.03 -0.06 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.86 3abl h ASP 60 N -0.10 0.59 -0.42 -3.80 3.32 -0.37 -0.69 116.42 114.95 3abl h ASP 60 Ca 0.27 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3abl h ASP 60 Cb 0.53 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3abl h ASP 60 CO -0.68 0.75 0.11 0.58 -1.72 0.00 0.00 179.24 178.27 3abl h VAL 61 N 0.56 1.22 -0.21 -1.35 2.07 -1.04 0.09 116.25 117.59 3abl h VAL 61 Ca 0.10 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 3abl h VAL 61 Cb 0.53 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3abl h VAL 61 CO 0.03 0.29 -0.11 0.40 0.02 0.00 0.00 177.57 178.20 3abl h ILE 62 N 0.72 1.31 -0.96 4.57 2.04 -0.97 -2.09 117.51 122.14 3abl h ILE 62 Ca 0.16 -1.19 0.13 0.00 1.00 0.00 0.00 64.86 64.96 3abl h ILE 62 Cb 0.29 1.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.91 3abl h ILE 62 CO -0.00 0.36 0.58 0.03 0.00 0.00 0.00 178.15 179.12 3abl h ARG 63 N 0.15 0.84 0.00 2.37 3.08 -0.68 -0.51 114.38 119.63 3abl h ARG 63 Ca 0.05 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3abl h ARG 63 Cb 0.61 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3abl h ARG 63 CO 0.03 0.56 -0.34 0.93 -1.07 0.00 0.00 179.97 180.08 3abl h GLU 64 N 0.87 0.00 0.00 0.04 5.08 -0.77 0.31 114.58 120.11 3abl h GLU 64 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3abl h GLU 64 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3abl h GLU 64 CO -0.30 0.34 -0.47 -1.13 -1.00 0.00 0.00 179.01 176.45 3abl n SER 65 N -3.67 1.22 -0.17 1.42 3.41 -0.81 -1.23 113.62 113.81 3abl n SER 65 Ca -0.01 0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.70 3abl n SER 65 Cb 0.45 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3abl n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3abl h THR 66 N -0.47 1.26 0.07 6.66 2.02 -1.29 -2.24 112.91 118.92 3abl h THR 66 Ca 0.00 -1.08 -0.37 0.00 0.77 0.00 0.00 66.41 65.73 3abl h THR 66 Cb 0.47 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 3abl h THR 66 CO 0.00 0.38 -2.18 0.49 0.37 0.00 0.00 175.52 174.58 3abl n PHE 67 N -4.33 0.74 0.55 3.16 0.99 -1.07 -4.55 117.46 112.95 3abl n PHE 67 Ca 0.01 0.16 0.11 0.00 -0.00 0.00 0.00 57.45 57.73 3abl n PHE 67 Cb 0.32 -1.10 -0.07 0.00 -1.00 0.00 0.00 39.48 37.63 3abl n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3abl n GLN 68 N -3.35 0.29 -0.96 -1.08 6.02 0.11 -5.00 117.38 113.40 3abl n GLN 68 Ca -0.36 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 3abl n GLN 68 Cb 1.03 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3abl n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3abl n GLY 69 N 1.38 0.43 0.00 1.08 0.00 -0.84 -4.94 105.19 102.29 3abl n GLY 69 Ca 0.01 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.31 3abl n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abl n HIS 70 N -2.96 0.00 -2.93 1.61 8.25 -0.36 -4.33 115.22 114.50 3abl n HIS 70 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3abl n HIS 70 Cb 0.00 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.73 3abl n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3abl n HIS 71 N -1.38 4.83 -0.99 4.41 8.25 -1.26 -4.69 115.22 124.39 3abl n HIS 71 Ca 0.11 -3.36 -0.29 0.00 -0.26 0.00 0.00 57.72 53.92 3abl n HIS 71 Cb 0.29 -2.13 0.17 0.00 1.12 0.00 0.00 29.99 29.44 3abl n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3abl s THR 72 N 1.21 2.37 0.33 1.59 -4.23 -1.26 -4.72 115.64 110.94 3abl s THR 72 Ca 0.42 0.12 0.09 0.00 -1.18 0.00 0.00 61.69 61.14 3abl s THR 72 Cb -0.02 -2.45 0.32 0.00 1.34 0.00 0.00 72.50 71.68 3abl s THR 72 CO -0.00 -0.16 1.76 -0.65 -0.54 0.00 0.00 174.62 175.03 3abl h PRO 73 N -1.87 0.61 -0.49 3.99 0.11 -1.93 -0.82 132.00 131.60 3abl h PRO 73 Ca -0.52 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.43 3abl h PRO 73 Cb 1.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3abl h PRO 73 CO 0.52 0.41 -0.17 0.00 -0.21 0.00 0.00 178.00 178.55 3abl h ALA 74 N 1.68 0.68 -0.74 -0.75 0.00 -1.92 0.49 119.26 118.70 3abl h ALA 74 Ca 0.60 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3abl h ALA 74 Cb 1.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3abl h ALA 74 CO -0.40 0.63 0.26 0.28 0.00 0.00 0.00 179.25 180.02 3abl h VAL 75 N 0.83 1.26 -0.48 0.00 2.07 -1.59 -2.39 116.25 115.95 3abl h VAL 75 Ca 0.12 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 3abl h VAL 75 Cb 0.74 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3abl h VAL 75 CO 0.06 0.34 -0.09 -0.61 0.02 0.00 0.00 177.57 177.29 3abl h GLN 76 N 1.08 0.90 -0.82 1.57 4.15 -0.91 -1.29 115.11 119.80 3abl h GLN 76 Ca 0.24 -0.33 0.06 0.00 0.77 0.00 0.00 58.65 59.39 3abl h GLN 76 Cb 0.26 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 3abl h GLN 76 CO -0.01 0.98 0.50 -0.22 -1.93 0.00 0.00 178.83 178.15 3abl h LYS 77 N 0.75 0.89 -0.33 1.69 3.64 -0.81 -0.46 116.57 121.94 3abl h LYS 77 Ca 0.12 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3abl h LYS 77 Cb 0.63 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3abl h LYS 77 CO 0.04 0.59 0.13 0.78 -2.27 0.00 0.00 179.45 178.72 3abl h GLY 78 N 0.92 0.53 0.63 5.01 0.00 -0.97 -1.63 103.07 107.55 3abl h GLY 78 Ca 0.36 -0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.50 3abl h GLY 78 CO -0.17 0.27 0.62 1.41 0.00 0.00 0.00 176.54 178.67 3abl h LEU 79 N 0.38 0.93 0.39 3.11 3.38 -0.55 -0.66 115.31 122.29 3abl h LEU 79 Ca 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3abl h LEU 79 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3abl h LEU 79 CO -0.01 0.54 -0.28 0.03 0.09 0.00 0.00 178.44 178.81 3abl h ARG 80 N 1.03 -0.64 -0.60 1.13 3.08 -0.71 -1.50 114.38 116.17 3abl h ARG 80 Ca 0.45 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.64 3abl h ARG 80 Cb 0.36 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3abl h ARG 80 CO -0.21 -0.43 0.22 1.88 -1.07 0.00 0.00 179.97 180.37 3abl h TYR 81 N -0.66 0.39 -0.77 3.04 0.05 -0.87 -1.80 116.97 116.36 3abl h TYR 81 Ca -0.04 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.86 3abl h TYR 81 Cb 0.57 -0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.15 3abl h TYR 81 CO -0.13 0.10 0.42 0.78 -1.05 0.00 0.00 178.16 178.28 3abl h GLY 82 N 0.40 1.17 1.05 3.88 0.00 -0.87 0.00 103.07 108.71 3abl h GLY 82 Ca 0.30 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3abl h GLY 82 CO -0.30 0.12 -0.36 1.98 0.00 0.00 0.00 176.54 177.98 3abl h MET 83 N 0.72 0.82 -0.60 4.80 1.85 -0.80 -0.57 114.93 121.15 3abl h MET 83 Ca 0.37 -0.44 -0.05 0.00 -0.61 0.00 0.00 59.70 58.97 3abl h MET 83 Cb 0.33 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 3abl h MET 83 CO -0.24 1.08 0.19 0.82 -0.40 0.00 0.00 176.91 178.36 3abl h ILE 84 N 0.60 1.24 -0.17 1.77 2.04 -1.02 -0.85 117.51 121.13 3abl h ILE 84 Ca 0.05 -0.82 -0.13 0.00 1.00 0.00 0.00 64.86 64.95 3abl h ILE 84 Cb 0.94 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3abl h ILE 84 CO 0.09 0.31 -0.46 -0.07 0.00 0.00 0.00 178.15 178.02 3abl h LEU 85 N 0.85 0.45 -0.44 1.44 3.38 -0.85 -0.85 115.31 119.28 3abl h LEU 85 Ca 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3abl h LEU 85 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3abl h LEU 85 CO -0.01 0.85 0.17 0.15 0.09 0.00 0.00 178.44 179.69 3abl h PHE 86 N 0.34 0.68 -0.36 1.13 3.57 -0.55 -1.82 116.94 119.93 3abl h PHE 86 Ca 0.02 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3abl h PHE 86 Cb 0.94 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3abl h PHE 86 CO 0.03 0.60 0.21 0.82 -2.23 0.00 0.00 178.31 177.74 3abl h ILE 87 N 0.57 1.04 -0.79 1.41 2.04 -0.83 -1.50 117.51 119.45 3abl h ILE 87 Ca 0.15 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 66.05 3abl h ILE 87 Cb 0.21 0.57 -0.13 0.00 -0.74 0.00 0.00 36.82 36.73 3abl h ILE 87 CO -0.01 0.08 0.08 0.40 0.00 0.00 0.00 178.15 178.70 3abl h ILE 88 N 0.43 0.34 0.00 -0.67 2.04 -0.86 0.79 117.51 119.58 3abl h ILE 88 Ca 0.14 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 3abl h ILE 88 Cb -0.00 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3abl h ILE 88 CO -0.06 0.03 -0.54 0.77 0.00 0.00 0.00 178.15 178.35 3abl h SER 89 N 0.14 0.00 0.15 1.72 4.64 -0.44 -1.89 113.55 117.87 3abl h SER 89 Ca 0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.65 3abl h SER 89 Cb 0.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 3abl h SER 89 CO -0.66 0.54 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.08 3abl h GLU 90 N 0.00 0.35 -0.39 4.77 4.39 -0.28 -1.18 114.58 122.24 3abl h GLU 90 Ca -0.01 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 3abl h GLU 90 Cb 0.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 3abl h GLU 90 CO 0.07 0.72 -0.07 0.28 -1.16 0.00 0.00 179.01 178.85 3abl h VAL 91 N 0.29 1.27 -0.15 3.13 2.07 -0.22 -1.96 116.25 120.69 3abl h VAL 91 Ca 0.02 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 3abl h VAL 91 Cb 0.88 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3abl h VAL 91 CO 0.07 0.38 -0.24 -0.07 0.02 0.00 0.00 177.57 177.73 3abl h LEU 92 N 0.54 0.26 0.67 2.57 -0.00 -0.99 0.97 115.31 119.33 3abl h LEU 92 Ca 0.10 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 3abl h LEU 92 Cb 0.58 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.17 3abl h LEU 92 CO 0.03 0.51 -0.32 0.15 -0.00 0.00 0.00 178.44 178.81 3abl h PHE 93 N 0.24 -0.84 -0.97 1.13 3.57 -0.96 -2.60 116.94 116.52 3abl h PHE 93 Ca 0.04 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.72 3abl h PHE 93 Cb 0.56 0.28 -0.11 0.00 2.79 0.00 0.00 35.95 39.47 3abl h PHE 93 CO 0.01 -0.50 0.56 0.74 -2.23 0.00 0.00 178.31 176.89 3abl h PHE 94 N -1.00 0.97 -1.00 0.41 -1.00 -1.14 -1.97 116.94 112.23 3abl h PHE 94 Ca -0.09 0.04 0.18 0.00 2.81 0.00 0.00 57.97 60.90 3abl h PHE 94 Cb 0.72 -0.28 -0.10 0.00 3.61 0.00 0.00 35.95 39.90 3abl h PHE 94 CO -0.01 0.17 0.62 1.15 -1.61 0.00 0.00 178.31 178.62 3abl h THR 95 N 0.67 0.75 -0.04 -1.55 2.02 -0.42 -0.43 112.91 113.92 3abl h THR 95 Ca 0.57 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 67.40 3abl h THR 95 Cb 0.93 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3abl h THR 95 CO -0.41 0.14 -0.38 1.23 0.37 0.00 0.00 175.52 176.47 3abl h GLY 96 N 0.78 0.09 1.75 2.16 0.00 -1.17 0.79 103.07 107.47 3abl h GLY 96 Ca 0.55 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.64 3abl h GLY 96 CO -0.34 0.07 -0.71 0.74 0.00 0.00 0.00 176.54 176.31 3abl h PHE 97 N 0.07 0.33 -0.26 5.60 0.04 -1.16 -1.48 116.94 120.08 3abl h PHE 97 Ca 0.01 -0.15 -0.14 0.00 2.80 0.00 0.00 57.97 60.49 3abl h PHE 97 Cb 0.71 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3abl h PHE 97 CO 0.00 0.87 -0.43 0.74 -0.60 0.00 0.00 178.31 178.90 3abl h PHE 98 N 0.17 0.77 -0.34 -0.55 0.04 -0.68 -1.63 116.94 114.71 3abl h PHE 98 Ca -0.02 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 3abl h PHE 98 Cb 1.26 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 3abl h PHE 98 CO 0.03 0.96 0.17 2.35 -0.60 0.00 0.00 178.31 181.21 3abl h TRP 99 N 0.52 0.49 -0.47 -0.55 2.91 -0.66 -1.04 115.95 117.16 3abl h TRP 99 Ca 0.04 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.09 3abl h TRP 99 Cb 0.95 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.40 3abl h TRP 99 CO 0.04 0.43 0.18 0.00 -1.03 0.00 0.00 178.44 178.06 3abl h ALA 100 N 1.02 0.57 -0.17 2.65 0.00 -1.19 0.41 119.26 122.55 3abl h ALA 100 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3abl h ALA 100 Cb 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3abl h ALA 100 CO -0.01 -0.21 0.00 0.35 0.00 0.00 0.00 179.25 179.38 3abl h PHE 101 N 0.36 0.00 -0.65 0.00 3.57 -1.00 -2.40 116.94 116.82 3abl h PHE 101 Ca 0.22 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 3abl h PHE 101 Cb 0.21 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3abl h PHE 101 CO -0.15 -0.02 0.06 1.88 -2.23 0.00 0.00 178.31 177.86 3abl h TYR 102 N 0.06 1.19 -0.65 0.41 -1.99 -0.74 -0.20 116.97 115.05 3abl h TYR 102 Ca 0.08 -0.18 0.11 0.00 2.00 0.00 0.00 58.73 60.73 3abl h TYR 102 Cb 0.09 -0.32 -0.08 0.00 2.00 0.00 0.00 36.73 38.42 3abl h TYR 102 CO -0.16 1.01 0.24 1.25 -0.00 0.00 0.00 178.16 180.50 3abl h HIS 103 N 1.02 0.41 0.21 4.88 2.76 -0.73 -1.28 115.15 122.42 3abl h HIS 103 Ca 0.19 0.03 -0.29 0.00 -2.20 0.00 0.00 60.37 58.10 3abl h HIS 103 Cb 0.49 -0.08 0.03 0.00 1.55 0.00 0.00 27.41 29.40 3abl h HIS 103 CO 0.04 0.08 -1.27 0.77 -1.30 0.00 0.00 177.93 176.25 3abl h SER 104 N 0.41 0.75 0.71 3.26 0.02 -1.23 -3.22 113.55 114.24 3abl h SER 104 Ca 0.34 -0.92 -0.21 0.00 -0.84 0.00 0.00 61.79 60.16 3abl h SER 104 Cb 0.45 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3abl h SER 104 CO -0.34 1.61 -0.96 0.77 -1.14 0.00 0.00 176.83 176.76 3abl h SER 105 N 0.02 0.21 1.45 3.07 4.64 -0.97 -3.10 113.55 118.86 3abl h SER 105 Ca -0.22 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 3abl h SER 105 Cb 1.99 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 3abl h SER 105 CO 0.24 1.05 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.91 3abl h LEU 106 N 0.07 0.00 -5.64 5.97 3.38 -1.38 -3.37 115.31 114.35 3abl h LEU 106 Ca -0.05 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.38 3abl h LEU 106 Cb 1.64 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.98 3abl h LEU 106 CO 0.14 0.27 -0.91 0.00 0.09 0.00 0.00 178.44 178.03 3abl n ALA 107 N -2.18 3.40 -1.87 1.53 0.00 -1.22 -5.11 120.51 115.07 3abl n ALA 107 Ca 0.02 -4.09 -0.42 0.00 0.00 0.00 0.00 53.44 48.96 3abl n ALA 107 Cb 0.57 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 3abl n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3abl s PRO 108 N -2.96 4.20 0.77 0.00 0.04 -1.17 -4.85 135.00 131.03 3abl s PRO 108 Ca 0.45 2.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.79 3abl s PRO 108 Cb 0.31 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.80 3abl s PRO 108 CO -0.11 -0.58 1.14 0.95 0.04 0.00 0.00 177.00 178.44 3abl s THR 109 N 0.67 2.40 0.33 1.26 -4.23 -1.26 -4.22 115.64 110.59 3abl s THR 109 Ca 0.67 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.30 3abl s THR 109 Cb -0.45 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.57 3abl s THR 109 CO 0.37 -0.15 1.92 -0.65 -0.54 0.00 0.00 174.62 175.57 3abl h PRO 110 N -0.90 0.84 -0.67 3.99 0.11 -1.93 0.16 132.00 133.60 3abl h PRO 110 Ca -0.46 -0.05 0.19 0.00 0.11 0.00 0.00 66.00 65.80 3abl h PRO 110 Cb 1.31 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3abl h PRO 110 CO 0.65 0.55 0.51 0.93 -0.21 0.00 0.00 178.00 180.43 3abl h GLU 111 N 0.86 0.00 0.00 1.05 3.07 -2.02 0.28 114.58 117.82 3abl h GLU 111 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3abl h GLU 111 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3abl h GLU 111 CO -0.14 0.00 -0.22 1.28 -1.40 0.00 0.00 179.01 178.53 3abl n LEU 112 N -4.22 0.29 0.00 1.33 4.77 -0.92 -4.90 117.00 113.35 3abl n LEU 112 Ca 0.13 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3abl n LEU 112 Cb 0.76 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3abl n LEU 112 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3abl n GLY 113 N 1.47 0.81 2.35 -0.72 0.00 0.98 -1.20 105.19 108.89 3abl n GLY 113 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3abl n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abl n GLY 114 N -2.28 0.55 3.29 -0.02 0.00 -0.00 -4.94 105.19 101.79 3abl n GLY 114 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 3abl n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abl s TRP 116 N -3.93 0.35 0.74 0.00 -0.11 -1.26 -3.61 118.94 111.13 3abl s TRP 116 Ca 0.12 -0.02 -0.15 0.00 1.22 0.00 0.00 56.10 57.27 3abl s TRP 116 Cb 0.04 -0.42 0.05 0.00 -1.50 0.00 0.00 33.47 31.63 3abl s TRP 116 CO -0.04 -0.13 1.22 -2.14 -4.62 0.00 0.00 176.95 171.24 3abl s PRO 117 N 0.94 2.04 0.79 5.86 0.02 -1.26 -4.96 135.00 138.42 3abl s PRO 117 Ca -0.10 1.81 -0.14 0.00 0.02 0.00 0.00 61.00 62.60 3abl s PRO 117 Cb -0.13 -1.81 0.06 0.00 0.02 0.00 0.00 34.50 32.63 3abl s PRO 117 CO -0.01 -1.93 1.06 -2.30 -0.33 0.00 0.00 177.00 173.49 3abl n PRO 118 N -2.77 0.24 -1.62 5.54 -0.02 -1.24 -4.89 135.00 130.24 3abl n PRO 118 Ca 0.14 0.15 -0.52 0.00 -2.02 0.00 0.00 63.50 61.25 3abl n PRO 118 Cb 0.50 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3abl n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3abl n THR 119 N -3.09 0.06 -0.58 3.45 -1.04 -0.34 -1.41 114.28 111.33 3abl n THR 119 Ca 0.13 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3abl n THR 119 Cb 0.50 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3abl n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3abl n GLY 120 N 2.93 0.75 3.66 3.41 0.00 -1.26 -4.96 105.19 109.72 3abl n GLY 120 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3abl n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abl s ILE 121 N -2.53 4.64 -0.41 -0.61 -1.09 -0.50 -5.06 121.20 115.64 3abl s ILE 121 Ca 0.00 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 3abl s ILE 121 Cb 0.00 -3.04 0.12 0.00 -1.58 0.00 0.00 42.46 37.96 3abl s ILE 121 CO 0.00 0.53 0.16 -1.00 -1.23 0.00 0.00 174.94 173.39 3abl s HIS 122 N -0.17 3.02 0.72 3.97 3.76 -1.26 -4.81 115.29 120.53 3abl s HIS 122 Ca 0.07 -2.82 -0.16 0.00 -0.15 0.00 0.00 55.06 52.00 3abl s HIS 122 Cb -0.12 -2.57 0.03 0.00 1.11 0.00 0.00 32.58 31.03 3abl s HIS 122 CO 0.02 -0.84 1.25 -2.14 -0.85 0.00 0.00 174.74 172.17 3abl s PRO 123 N 0.49 2.14 0.67 8.40 0.02 -1.26 -4.82 135.00 140.63 3abl s PRO 123 Ca 0.14 1.91 -0.17 0.00 0.02 0.00 0.00 61.00 62.90 3abl s PRO 123 Cb -0.22 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3abl s PRO 123 CO -0.06 -1.87 1.27 -0.51 -0.33 0.00 0.00 177.00 175.49 3abl s LEU 124 N -4.99 3.50 -0.24 -5.54 1.43 -1.26 -4.97 118.68 106.62 3abl s LEU 124 Ca 0.78 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 56.14 3abl s LEU 124 Cb -0.33 -4.61 0.01 0.00 0.03 0.00 0.00 46.19 41.29 3abl s LEU 124 CO 0.45 -2.09 1.03 0.21 0.23 0.00 0.00 176.35 176.18 3abl s ASN 125 N -1.57 7.07 0.21 2.29 3.84 -1.26 -4.92 114.94 120.61 3abl s ASN 125 Ca 0.80 1.33 0.19 0.00 0.21 0.00 0.00 52.86 55.39 3abl s ASN 125 Cb -0.35 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.69 3abl s ASN 125 CO 0.41 -0.68 1.57 -0.81 -2.79 0.00 0.00 177.10 174.80 3abl n PRO 126 N 6.34 0.13 0.00 0.43 -0.04 -1.26 -1.70 135.00 138.90 3abl n PRO 126 Ca 0.12 0.49 0.14 0.00 -0.04 0.00 0.00 63.50 64.20 3abl n PRO 126 Cb 0.46 -1.81 0.58 0.00 -0.04 0.00 0.00 33.50 32.70 3abl n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3abl n LEU 127 N -2.06 1.13 0.00 1.53 7.99 -1.26 -2.01 117.00 122.32 3abl n LEU 127 Ca 0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 56.01 55.65 3abl n LEU 127 Cb 0.12 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 3abl n LEU 127 CO 0.13 0.19 0.00 -0.62 -1.51 0.00 0.00 177.39 175.58 3abl n GLU 128 N -0.19 0.00 -0.31 3.23 1.02 -0.69 -4.66 120.64 119.04 3abl n GLU 128 Ca 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 3abl n GLU 128 Cb 0.31 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.80 3abl n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3abl h VAL 129 N 0.00 1.24 -0.59 2.62 2.07 -1.86 -2.02 116.25 117.72 3abl h VAL 129 Ca 0.00 -0.58 0.16 0.00 0.82 0.00 0.00 66.70 67.09 3abl h VAL 129 Cb 0.00 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 3abl h VAL 129 CO 0.00 0.27 0.41 -0.65 0.02 0.00 0.00 177.57 177.62 3abl h PRO 130 N 1.16 0.08 0.10 1.57 0.11 -1.77 0.25 132.00 133.49 3abl h PRO 130 Ca 0.30 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.21 3abl h PRO 130 Cb 0.01 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.12 3abl h PRO 130 CO -0.05 0.05 -0.79 1.25 -0.21 0.00 0.00 178.00 178.25 3abl h LEU 131 N 0.08 0.52 -0.47 2.35 5.85 -0.77 -2.01 115.31 120.86 3abl h LEU 131 Ca 0.28 -0.89 0.06 0.00 0.84 0.00 0.00 57.88 58.18 3abl h LEU 131 Cb 1.01 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 3abl h LEU 131 CO -0.02 1.36 0.16 0.25 -0.34 0.00 0.00 178.44 179.84 3abl h LEU 132 N -0.24 0.15 -0.86 2.25 5.85 -0.60 -0.17 115.31 121.69 3abl h LEU 132 Ca -0.13 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.78 3abl h LEU 132 Cb 1.57 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.57 3abl h LEU 132 CO 0.15 0.11 0.48 0.78 -0.34 0.00 0.00 178.44 179.62 3abl h ASN 133 N 0.32 0.64 0.07 1.25 2.35 -0.47 -0.32 115.58 119.42 3abl h ASN 133 Ca 0.22 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3abl h ASN 133 Cb 0.24 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3abl h ASN 133 CO -0.24 0.32 -0.04 0.74 -1.65 0.00 0.00 177.43 176.56 3abl h THR 134 N 0.73 1.16 -0.93 2.81 2.02 -0.56 -1.57 112.91 116.57 3abl h THR 134 Ca 0.44 -0.88 0.11 0.00 0.77 0.00 0.00 66.41 66.86 3abl h THR 134 Cb 0.53 1.73 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 3abl h THR 134 CO -0.31 0.21 0.59 0.77 0.37 0.00 0.00 175.52 177.16 3abl h SER 135 N -0.50 0.81 0.22 4.18 4.64 -0.52 -1.71 113.55 120.67 3abl h SER 135 Ca -0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3abl h SER 135 Cb 0.43 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3abl h SER 135 CO 0.02 0.45 -0.20 0.58 -0.87 0.00 0.00 176.83 176.80 3abl h VAL 136 N 0.88 0.56 -0.48 0.95 2.07 -0.94 0.03 116.25 119.32 3abl h VAL 136 Ca 0.45 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.88 3abl h VAL 136 Cb 0.51 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3abl h VAL 136 CO -0.21 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.24 3abl h LEU 137 N -0.44 0.83 -0.69 2.57 3.38 -1.04 -1.81 115.31 118.10 3abl h LEU 137 Ca -0.00 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3abl h LEU 137 Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3abl h LEU 137 CO -0.04 0.93 0.20 -0.07 0.09 0.00 0.00 178.44 179.55 3abl h LEU 138 N 0.77 1.03 -1.28 1.67 3.38 -1.24 -2.20 115.31 117.44 3abl h LEU 138 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3abl h LEU 138 Cb 0.57 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3abl h LEU 138 CO 0.03 0.98 0.01 0.00 0.09 0.00 0.00 178.44 179.55 3abl h ALA 139 N 1.09 1.41 0.00 1.53 0.00 -0.64 -1.37 119.26 121.29 3abl h ALA 139 Ca 0.22 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3abl h ALA 139 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3abl h ALA 139 CO -0.00 0.41 -0.57 0.66 0.00 0.00 0.00 179.25 179.75 3abl h SER 140 N 0.48 0.00 1.05 0.00 4.64 -0.77 -0.60 113.55 118.34 3abl h SER 140 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3abl h SER 140 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3abl h SER 140 CO 0.01 0.57 -0.37 1.23 -0.87 0.00 0.00 176.83 177.40 3abl h GLY 141 N 2.10 0.00 0.34 -0.77 0.00 -0.69 -0.06 103.07 104.00 3abl h GLY 141 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3abl h GLY 141 CO 0.07 0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.45 3abl h VAL 142 N 0.00 1.56 -0.12 4.60 2.07 -0.81 -2.96 116.25 120.60 3abl h VAL 142 Ca -0.00 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 3abl h VAL 142 Cb 0.99 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3abl h VAL 142 CO 0.05 0.47 -0.13 0.77 0.02 0.00 0.00 177.57 178.75 3abl h SER 143 N -0.64 0.17 1.20 0.57 4.64 -1.05 -1.52 113.55 116.92 3abl h SER 143 Ca -0.01 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3abl h SER 143 Cb 0.81 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3abl h SER 143 CO 0.02 0.32 -0.30 -0.29 -0.87 0.00 0.00 176.83 175.71 3abl h ILE 144 N 0.17 0.61 -0.01 0.95 2.10 -1.07 -0.42 117.51 119.85 3abl h ILE 144 Ca 0.04 -1.47 -0.03 0.00 1.08 0.00 0.00 64.86 64.48 3abl h ILE 144 Cb 0.34 2.00 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 3abl h ILE 144 CO 0.02 0.29 -0.09 0.74 -1.08 0.00 0.00 178.15 178.03 3abl h THR 145 N 0.00 1.54 -0.68 2.19 2.02 -1.17 -1.53 112.91 115.27 3abl h THR 145 Ca -0.00 -1.72 0.12 0.00 0.77 0.00 0.00 66.41 65.58 3abl h THR 145 Cb 0.97 2.65 -0.13 0.00 -1.74 0.00 0.00 68.15 69.90 3abl h THR 145 CO 0.04 0.46 -0.31 -0.25 0.37 0.00 0.00 175.52 175.82 3abl h TRP 146 N -0.58 -0.84 -0.63 3.16 7.01 -1.23 -1.65 115.95 121.18 3abl h TRP 146 Ca -0.01 0.08 0.11 0.00 2.11 0.00 0.00 58.89 61.17 3abl h TRP 146 Cb 0.80 0.47 -0.12 0.00 -2.10 0.00 0.00 29.16 28.21 3abl h TRP 146 CO 0.17 -0.37 -0.36 0.00 -2.79 0.00 0.00 178.44 175.09 3abl h ALA 147 N 1.21 -0.07 -0.16 2.65 0.00 -0.85 -1.31 119.26 120.73 3abl h ALA 147 Ca 0.28 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.40 3abl h ALA 147 Cb 0.56 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3abl h ALA 147 CO -0.75 -0.70 -0.22 1.25 0.00 0.00 0.00 179.25 178.84 3abl h HIS 148 N -0.15 -0.58 -0.55 0.00 -0.00 -0.93 -0.14 115.15 112.81 3abl h HIS 148 Ca 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3abl h HIS 148 Cb 0.56 0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 28.22 3abl h HIS 148 CO -0.67 -0.30 0.36 0.45 -0.00 0.00 0.00 177.93 177.77 3abl h HIS 149 N -0.26 0.69 -0.86 5.26 -0.00 -1.09 -0.58 115.15 118.31 3abl h HIS 149 Ca 0.11 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.55 3abl h HIS 149 Cb 0.43 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.54 3abl h HIS 149 CO -0.34 0.44 0.54 0.77 -0.00 0.00 0.00 177.93 179.34 3abl h SER 150 N 0.74 0.85 -0.18 2.45 0.02 -0.97 0.17 113.55 116.63 3abl h SER 150 Ca 0.20 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3abl h SER 150 Cb -0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3abl h SER 150 CO -0.04 0.55 -0.01 0.25 -1.14 0.00 0.00 176.83 176.43 3abl h LEU 151 N 0.98 0.32 -0.92 5.07 5.85 -0.24 0.68 115.31 127.07 3abl h LEU 151 Ca 0.37 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3abl h LEU 151 Cb 0.15 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3abl h LEU 151 CO -0.17 0.57 0.60 0.24 -0.34 0.00 0.00 178.44 179.34 3abl h MET 152 N 0.07 1.14 0.00 1.25 2.86 -0.71 -0.47 114.93 119.07 3abl h MET 152 Ca 0.05 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3abl h MET 152 Cb 0.41 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3abl h MET 152 CO 0.01 0.75 0.00 0.39 1.06 0.00 0.00 176.91 179.13 3abl n GLU 153 N -4.49 0.84 -1.31 1.72 1.02 0.57 -4.85 120.64 114.14 3abl n GLU 153 Ca 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3abl n GLU 153 Cb 0.07 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 3abl n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3abl n GLY 154 N 0.42 0.71 3.25 0.62 0.00 -0.18 -5.00 105.19 105.01 3abl n GLY 154 Ca 0.04 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 3abl n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abl s ASP 155 N -2.91 6.12 0.10 1.61 -1.08 0.19 -4.93 116.67 115.77 3abl s ASP 155 Ca 0.00 -2.46 -0.23 0.00 -0.52 0.00 0.00 52.55 49.35 3abl s ASP 155 Cb 0.00 -2.09 -0.11 0.00 -1.46 0.00 0.00 42.92 39.26 3abl s ASP 155 CO 0.00 -0.59 1.72 -0.09 0.52 0.00 0.00 175.17 176.73 3abl h ARG 156 N 7.88 -0.04 -0.32 4.34 2.43 -1.94 -2.10 114.38 124.62 3abl h ARG 156 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3abl h ARG 156 Cb 1.03 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3abl h ARG 156 CO 0.80 -0.03 0.11 -0.22 -1.51 0.00 0.00 179.97 179.12 3abl h LYS 157 N -0.05 0.50 0.00 0.20 3.64 -1.97 -2.20 116.57 116.69 3abl h LYS 157 Ca 0.03 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 3abl h LYS 157 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3abl h LYS 157 CO -0.06 0.53 -0.56 0.45 -2.27 0.00 0.00 179.45 177.54 3abl h HIS 158 N 0.37 0.00 0.17 1.91 3.86 -1.96 -1.17 115.15 118.33 3abl h HIS 158 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3abl h HIS 158 Cb 0.23 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 3abl h HIS 158 CO 0.00 0.56 -0.10 1.98 0.86 0.00 0.00 177.93 181.23 3abl h MET 159 N 0.00 -0.25 -0.64 2.45 1.85 -1.21 -0.24 114.93 116.89 3abl h MET 159 Ca -0.01 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 3abl h MET 159 Cb 1.13 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.19 3abl h MET 159 CO 0.07 -0.17 0.38 -0.07 -0.40 0.00 0.00 176.91 176.73 3abl h LEU 160 N -0.26 0.78 -0.11 3.39 3.38 -1.28 0.29 115.31 121.50 3abl h LEU 160 Ca -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3abl h LEU 160 Cb 0.21 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3abl h LEU 160 CO 0.02 0.62 0.01 -0.61 0.09 0.00 0.00 178.44 178.56 3abl h GLN 161 N 0.87 0.19 -0.61 1.13 4.15 -1.11 0.24 115.11 119.97 3abl h GLN 161 Ca 0.23 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 3abl h GLN 161 Cb -0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3abl h GLN 161 CO -0.04 0.42 0.17 0.00 -1.93 0.00 0.00 178.83 177.44 3abl h ALA 162 N 0.77 1.15 -0.20 3.38 0.00 -0.63 -1.35 119.26 122.38 3abl h ALA 162 Ca 0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 3abl h ALA 162 Cb 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3abl h ALA 162 CO 0.00 0.58 -0.59 1.25 0.00 0.00 0.00 179.25 180.49 3abl h LEU 163 N 0.90 0.73 -0.81 0.00 5.85 -0.41 -1.15 115.31 120.42 3abl h LEU 163 Ca 0.20 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3abl h LEU 163 Cb 0.29 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3abl h LEU 163 CO -0.00 1.15 0.51 0.15 -0.34 0.00 0.00 178.44 179.90 3abl h PHE 164 N 0.48 1.05 -0.40 1.25 3.57 -0.49 -0.73 116.94 121.67 3abl h PHE 164 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3abl h PHE 164 Cb 1.17 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3abl h PHE 164 CO 0.06 0.69 0.13 0.82 -2.23 0.00 0.00 178.31 177.77 3abl h ILE 165 N 1.10 1.21 -0.83 1.41 2.04 -1.17 0.52 117.51 121.80 3abl h ILE 165 Ca 0.29 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3abl h ILE 165 Cb -0.07 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3abl h ILE 165 CO -0.06 0.25 0.54 0.74 0.00 0.00 0.00 178.15 179.62 3abl h THR 166 N 0.50 1.19 -0.46 -0.27 2.02 -0.73 0.82 112.91 115.98 3abl h THR 166 Ca 0.13 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 3abl h THR 166 Cb 0.25 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3abl h THR 166 CO -0.00 0.20 -0.23 0.40 0.37 0.00 0.00 175.52 176.26 3abl h ILE 167 N 1.10 1.27 -0.55 3.11 2.04 -0.84 -0.91 117.51 122.72 3abl h ILE 167 Ca 0.31 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.85 3abl h ILE 167 Cb -0.08 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3abl h ILE 167 CO -0.08 0.47 0.26 0.74 0.00 0.00 0.00 178.15 179.54 3abl h THR 168 N 0.81 0.91 -0.52 -0.27 2.02 -0.32 -1.37 112.91 114.17 3abl h THR 168 Ca 0.10 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3abl h THR 168 Cb 0.79 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3abl h THR 168 CO 0.07 0.09 0.31 -0.07 0.37 0.00 0.00 175.52 176.29 3abl h LEU 169 N 0.50 0.63 -1.00 2.58 3.38 -0.49 0.87 115.31 121.78 3abl h LEU 169 Ca 0.25 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3abl h LEU 169 Cb 0.20 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3abl h LEU 169 CO -0.19 0.50 0.65 1.23 0.09 0.00 0.00 178.44 180.72 3abl h GLY 170 N 0.70 1.47 0.98 0.83 0.00 -0.68 -0.47 103.07 105.91 3abl h GLY 170 Ca 0.19 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 3abl h GLY 170 CO -0.04 0.41 -0.23 -2.08 0.00 0.00 0.00 176.54 174.61 3abl h VAL 171 N 1.25 1.29 -0.08 4.60 2.07 -1.01 -1.58 116.25 122.78 3abl h VAL 171 Ca 0.40 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3abl h VAL 171 Cb 0.03 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3abl h VAL 171 CO -0.13 0.45 0.05 0.22 0.02 0.00 0.00 177.57 178.17 3abl h TYR 172 N 0.52 0.11 -0.53 1.57 3.20 -0.48 -0.12 116.97 121.23 3abl h TYR 172 Ca 0.07 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.04 3abl h TYR 172 Cb 0.78 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.92 3abl h TYR 172 CO 0.06 0.11 -0.08 0.35 -1.64 0.00 0.00 178.16 176.97 3abl h PHE 173 N 0.08 -0.18 -0.68 -3.82 3.57 -1.00 0.16 116.94 115.08 3abl h PHE 173 Ca 0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3abl h PHE 173 Cb 0.03 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3abl h PHE 173 CO -0.06 -0.19 0.40 1.15 -2.23 0.00 0.00 178.31 177.38 3abl h THR 174 N 0.05 1.20 -0.18 4.41 2.02 -0.66 0.23 112.91 119.97 3abl h THR 174 Ca 0.26 -0.46 -0.21 0.00 0.77 0.00 0.00 66.41 66.77 3abl h THR 174 Cb 0.41 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3abl h THR 174 CO -0.50 0.21 -0.71 -0.07 0.37 0.00 0.00 175.52 174.82 3abl h LEU 175 N 0.93 0.90 -1.26 2.58 3.38 -0.56 0.54 115.31 121.82 3abl h LEU 175 Ca 0.24 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3abl h LEU 175 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3abl h LEU 175 CO -0.04 1.35 0.09 -0.07 0.09 0.00 0.00 178.44 179.86 3abl h LEU 176 N 0.55 0.55 -0.03 1.67 3.38 -0.37 -2.27 115.31 118.78 3abl h LEU 176 Ca -0.03 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 3abl h LEU 176 Cb 1.33 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.95 3abl h LEU 176 CO 0.15 0.56 -1.05 -0.61 0.09 0.00 0.00 178.44 177.57 3abl h GLN 177 N 0.58 0.59 -0.43 1.13 5.75 -0.13 -1.86 115.11 120.73 3abl h GLN 177 Ca 0.13 -0.66 -0.04 0.00 -0.15 0.00 0.00 58.65 57.93 3abl h GLN 177 Cb 0.24 0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3abl h GLN 177 CO -0.00 1.27 0.10 0.00 -2.65 0.00 0.00 178.83 177.55 3abl h ALA 178 N 0.50 1.37 -0.26 3.38 0.00 -0.68 -0.91 119.26 122.66 3abl h ALA 178 Ca -0.12 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 3abl h ALA 178 Cb 1.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3abl h ALA 178 CO 0.20 0.45 -0.49 1.03 0.00 0.00 0.00 179.25 180.44 3abl h SER 179 N 0.63 0.88 -0.69 0.00 0.87 -1.33 -2.06 113.55 111.84 3abl h SER 179 Ca 0.14 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3abl h SER 179 Cb 0.24 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3abl h SER 179 CO -0.00 1.25 0.39 -0.33 -0.53 0.00 0.00 176.83 177.61 3abl h GLU 180 N 0.54 0.96 0.05 2.24 4.39 -1.04 0.14 114.58 121.85 3abl h GLU 180 Ca 0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3abl h GLU 180 Cb 1.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 3abl h GLU 180 CO 0.11 0.70 -0.05 1.88 -1.16 0.00 0.00 179.01 180.49 3abl h TYR 181 N 0.97 -0.12 -0.19 4.33 -1.99 -0.89 0.37 116.97 119.46 3abl h TYR 181 Ca 0.25 0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.02 3abl h TYR 181 Cb 0.01 0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.74 3abl h TYR 181 CO 0.01 -0.07 -0.08 -0.92 -0.00 0.00 0.00 178.16 177.09 3abl h TYR 182 N -0.10 -0.20 0.00 4.88 5.03 -1.04 -2.95 116.97 122.59 3abl h TYR 182 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3abl h TYR 182 Cb 0.10 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.50 3abl h TYR 182 CO -0.10 -0.13 0.00 0.93 -1.32 0.00 0.00 178.16 177.54 3abl h GLU 183 N -0.06 0.00 -6.48 1.82 4.39 -0.89 -3.46 114.58 109.90 3abl h GLU 183 Ca 0.10 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.23 3abl h GLU 183 Cb 0.21 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.91 3abl h GLU 183 CO -0.23 0.00 0.94 0.00 -1.16 0.00 0.00 179.01 178.57 3abl n ALA 184 N -2.08 1.62 0.64 3.43 0.00 0.11 -4.87 120.51 119.36 3abl n ALA 184 Ca 0.00 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.94 3abl n ALA 184 Cb 0.28 -2.45 0.46 0.00 0.00 0.00 0.00 19.45 17.74 3abl n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3abl n PRO 185 N 4.53 0.11 -4.06 0.00 -0.04 -1.26 -4.77 135.00 129.51 3abl n PRO 185 Ca 0.18 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.64 3abl n PRO 185 Cb 0.31 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 3abl n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3abl s PHE 186 N -3.10 2.93 0.39 0.54 -0.12 -1.26 -5.05 117.98 112.31 3abl s PHE 186 Ca 0.09 -0.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 3abl s PHE 186 Cb 0.13 -1.50 -0.03 0.00 -0.63 0.00 0.00 43.02 40.99 3abl s PHE 186 CO 0.45 0.43 0.14 0.95 -0.05 0.00 0.00 175.22 177.13 3abl s THR 187 N -2.25 0.57 -0.42 -4.49 -4.23 -1.26 -5.01 115.64 98.55 3abl s THR 187 Ca 0.35 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.13 3abl s THR 187 Cb -0.06 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.68 3abl s THR 187 CO 0.24 0.00 1.77 -0.29 -0.54 0.00 0.00 174.62 175.81 3abl h ILE 188 N 1.87 0.00 -0.17 2.99 2.10 -1.95 -1.02 117.51 121.33 3abl h ILE 188 Ca -0.35 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.13 3abl h ILE 188 Cb 1.27 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.35 3abl h ILE 188 CO 0.56 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 176.09 3abl n SER 189 N -2.54 1.73 -3.46 2.19 3.41 -1.26 -3.54 113.62 110.15 3abl n SER 189 Ca 0.03 -1.71 -0.40 0.00 -0.26 0.00 0.00 58.87 56.53 3abl n SER 189 Cb 0.34 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3abl n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3abl n ASP 190 N 0.37 7.16 0.00 4.04 8.00 -0.39 -4.94 116.55 130.79 3abl n ASP 190 Ca 0.16 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.96 3abl n ASP 190 Cb 0.34 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 3abl n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3abl n GLY 191 N 3.59 0.29 0.16 0.44 0.00 -1.26 -1.97 105.19 106.45 3abl n GLY 191 Ca 0.69 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.84 3abl n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3abl h VAL 192 N 0.00 0.49 -0.02 1.61 3.04 -1.92 -0.39 116.25 119.06 3abl h VAL 192 Ca 0.00 -1.71 -0.00 0.00 -1.01 0.00 0.00 66.70 63.98 3abl h VAL 192 Cb 0.00 2.20 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3abl h VAL 192 CO 0.00 0.28 0.01 0.22 -1.01 0.00 0.00 177.57 177.07 3abl h TYR 193 N 0.00 0.03 -0.48 3.17 3.20 -1.96 -0.57 116.97 120.37 3abl h TYR 193 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3abl h TYR 193 Cb 1.24 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3abl h TYR 193 CO 0.00 0.17 0.26 0.78 -1.64 0.00 0.00 178.16 177.73 3abl h GLY 194 N -0.11 0.71 0.90 1.82 0.00 -1.12 -0.90 103.07 104.36 3abl h GLY 194 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3abl h GLY 194 CO -0.00 0.31 -0.17 1.76 0.00 0.00 0.00 176.54 178.44 3abl h SER 195 N 0.63 -0.42 -0.26 0.19 0.02 -0.90 -0.77 113.55 112.04 3abl h SER 195 Ca 0.17 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3abl h SER 195 Cb 0.05 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3abl h SER 195 CO -0.03 -0.27 0.00 0.71 -1.14 0.00 0.00 176.83 176.10 3abl h THR 196 N -0.42 1.26 0.14 -2.27 1.35 -1.02 -2.28 112.91 109.66 3abl h THR 196 Ca -0.02 -0.91 0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3abl h THR 196 Cb 0.35 1.35 -0.04 0.00 -1.73 0.00 0.00 68.15 68.08 3abl h THR 196 CO 0.02 0.29 -0.34 0.15 -0.25 0.00 0.00 175.52 175.39 3abl h PHE 197 N 0.23 -0.92 0.16 4.73 3.57 -1.10 -1.70 116.94 121.91 3abl h PHE 197 Ca 0.07 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.30 3abl h PHE 197 Cb 0.41 0.39 0.01 0.00 2.79 0.00 0.00 35.95 39.56 3abl h PHE 197 CO 0.04 -0.45 -1.31 0.74 -2.23 0.00 0.00 178.31 175.10 3abl h PHE 198 N -0.57 0.61 -0.39 0.41 -1.00 -1.13 -1.69 116.94 113.17 3abl h PHE 198 Ca 0.03 -0.45 -0.11 0.00 2.81 0.00 0.00 57.97 60.25 3abl h PHE 198 Cb 0.60 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 3abl h PHE 198 CO -0.29 1.35 -0.19 0.28 -1.61 0.00 0.00 178.31 177.85 3abl h VAL 199 N 0.09 1.28 0.10 -0.55 2.07 -1.47 0.44 116.25 118.22 3abl h VAL 199 Ca -0.17 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3abl h VAL 199 Cb 2.02 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3abl h VAL 199 CO 0.22 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 178.20 3abl h ALA 200 N 0.81 -0.14 0.00 1.67 0.00 -1.38 -0.03 119.26 120.19 3abl h ALA 200 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3abl h ALA 200 Cb 0.74 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3abl h ALA 200 CO 0.06 -0.35 -0.28 1.79 0.00 0.00 0.00 179.25 180.47 3abl h THR 201 N -0.60 0.75 0.23 0.00 1.35 -1.40 -2.05 112.91 111.19 3abl h THR 201 Ca -0.01 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 3abl h THR 201 Cb 0.48 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3abl h THR 201 CO 0.02 0.27 -0.11 1.23 -0.25 0.00 0.00 175.52 176.69 3abl h GLY 202 N 1.77 -0.32 0.64 5.82 0.00 -0.04 0.20 103.07 111.14 3abl h GLY 202 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.52 3abl h GLY 202 CO 0.04 -0.12 0.50 0.74 0.00 0.00 0.00 176.54 177.70 3abl h PHE 203 N -0.69 0.91 -0.56 5.60 0.04 -0.95 0.18 116.94 121.48 3abl h PHE 203 Ca -0.03 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.77 3abl h PHE 203 Cb 0.48 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3abl h PHE 203 CO 0.04 0.43 0.37 1.25 -0.60 0.00 0.00 178.31 179.79 3abl h HIS 204 N 0.88 0.70 -0.66 -0.55 2.76 -1.19 -1.48 115.15 115.61 3abl h HIS 204 Ca 0.38 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.60 3abl h HIS 204 Cb 0.26 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 3abl h HIS 204 CO -0.05 0.44 0.41 0.78 -1.30 0.00 0.00 177.93 178.22 3abl h GLY 205 N 0.76 0.96 0.34 5.26 0.00 0.51 0.17 103.07 111.06 3abl h GLY 205 Ca 0.21 -0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.32 3abl h GLY 205 CO -0.04 0.25 0.15 -2.00 0.00 0.00 0.00 176.54 174.90 3abl h LEU 206 N 0.80 0.09 -1.14 3.11 5.85 -0.12 -1.24 115.31 122.66 3abl h LEU 206 Ca 0.27 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.99 3abl h LEU 206 Cb 0.04 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3abl h LEU 206 CO -0.11 0.07 -0.34 0.45 -0.34 0.00 0.00 178.44 178.16 3abl h HIS 207 N 0.31 0.17 -0.68 1.25 3.86 -0.11 -1.14 115.15 118.80 3abl h HIS 207 Ca 0.28 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3abl h HIS 207 Cb 0.37 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 3abl h HIS 207 CO -0.21 0.48 0.18 0.28 0.86 0.00 0.00 177.93 179.52 3abl h VAL 208 N 0.13 1.25 -0.25 2.45 2.07 0.03 0.28 116.25 122.21 3abl h VAL 208 Ca 0.02 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 3abl h VAL 208 Cb 0.68 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3abl h VAL 208 CO 0.05 0.35 -0.23 0.40 0.02 0.00 0.00 177.57 178.17 3abl h ILE 209 N 1.02 1.31 -0.39 4.57 2.04 -0.70 0.41 117.51 125.76 3abl h ILE 209 Ca 0.22 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.75 3abl h ILE 209 Cb 0.34 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 3abl h ILE 209 CO -0.00 0.43 0.11 0.40 0.00 0.00 0.00 178.15 179.10 3abl h ILE 210 N 0.32 0.85 -0.68 -0.67 2.04 -1.15 0.28 117.51 118.50 3abl h ILE 210 Ca 0.04 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3abl h ILE 210 Cb 0.78 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3abl h ILE 210 CO 0.06 0.05 0.22 1.23 0.00 0.00 0.00 178.15 179.71 3abl h GLY 211 N 0.26 1.13 0.79 5.37 0.00 -0.04 -1.67 103.07 108.91 3abl h GLY 211 Ca 0.19 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3abl h GLY 211 CO -0.21 0.61 0.02 1.76 0.00 0.00 0.00 176.54 178.72 3abl h SER 212 N 0.99 0.10 -1.00 0.19 0.02 0.23 -1.47 113.55 112.62 3abl h SER 212 Ca 0.22 -0.24 0.19 0.00 -0.84 0.00 0.00 61.79 61.13 3abl h SER 212 Cb 0.28 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.69 3abl h SER 212 CO -0.01 0.31 0.60 0.74 -1.14 0.00 0.00 176.83 177.33 3abl h THR 213 N -0.11 0.69 -0.39 -2.27 2.02 -0.86 -0.38 112.91 111.60 3abl h THR 213 Ca 0.02 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 3abl h THR 213 Cb 0.25 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3abl h THR 213 CO 0.00 0.13 -0.38 0.15 0.37 0.00 0.00 175.52 175.79 3abl h PHE 214 N 0.74 1.11 -0.85 3.16 3.04 -1.10 0.84 116.94 123.87 3abl h PHE 214 Ca 0.58 -0.33 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 3abl h PHE 214 Cb 0.92 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 39.16 3abl h PHE 214 CO -0.01 1.16 0.41 -0.07 -2.02 0.00 0.00 178.31 177.78 3abl h LEU 215 N 0.76 1.11 -0.87 0.59 3.38 -0.79 -0.83 115.31 118.67 3abl h LEU 215 Ca 0.06 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3abl h LEU 215 Cb 0.97 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3abl h LEU 215 CO 0.09 0.93 -0.04 0.40 0.09 0.00 0.00 178.44 179.92 3abl h ILE 216 N 1.22 1.25 -0.75 1.22 2.04 -0.63 0.09 117.51 121.94 3abl h ILE 216 Ca 0.29 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3abl h ILE 216 Cb 0.11 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3abl h ILE 216 CO -0.04 0.37 0.40 0.58 0.00 0.00 0.00 178.15 179.47 3abl h VAL 217 N 0.74 1.23 -0.31 1.67 2.07 -0.25 -2.34 116.25 119.06 3abl h VAL 217 Ca 0.14 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3abl h VAL 217 Cb 0.50 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3abl h VAL 217 CO 0.03 0.25 -0.15 0.00 0.02 0.00 0.00 177.57 177.72 3abl h PHE 219 N 0.49 0.53 -0.27 0.00 3.57 -0.56 0.34 116.94 121.05 3abl h PHE 219 Ca 0.09 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 3abl h PHE 219 Cb 0.54 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3abl h PHE 219 CO 0.02 0.54 -0.46 0.74 -2.23 0.00 0.00 178.31 176.91 3abl h PHE 220 N 0.38 0.84 -0.42 0.41 0.04 -1.32 0.18 116.94 117.06 3abl h PHE 220 Ca 0.11 -0.27 -0.12 0.00 2.80 0.00 0.00 57.97 60.48 3abl h PHE 220 Cb 0.26 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3abl h PHE 220 CO 0.01 1.02 -0.22 0.00 -0.60 0.00 0.00 178.31 178.52 3abl h ARG 221 N 0.55 0.84 -0.52 1.51 3.08 -1.11 -2.35 114.38 116.39 3abl h ARG 221 Ca 0.03 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 3abl h ARG 221 Cb 1.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 3abl h ARG 221 CO 0.10 0.98 0.16 0.37 -1.07 0.00 0.00 179.97 180.51 3abl h GLN 222 N 0.73 0.81 -0.77 0.04 5.75 0.12 -1.79 115.11 120.00 3abl h GLN 222 Ca 0.10 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3abl h GLN 222 Cb 0.76 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.13 3abl h GLN 222 CO 0.06 0.76 0.46 -0.07 -2.65 0.00 0.00 178.83 177.39 3abl h LEU 223 N 0.72 0.71 0.00 -2.39 3.38 -0.38 -0.77 115.31 116.57 3abl h LEU 223 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3abl h LEU 223 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3abl h LEU 223 CO -0.00 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.27 3abl n LYS 224 N -4.70 0.74 -1.45 1.13 5.02 -0.91 -4.94 118.16 113.05 3abl n LYS 224 Ca 0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 3abl n LYS 224 Cb 0.18 -1.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 3abl n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3abl n PHE 225 N -0.51 -0.04 0.03 2.13 3.01 -0.29 -4.91 117.46 116.87 3abl n PHE 225 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 3abl n PHE 225 Cb 0.00 -2.48 0.30 0.00 -0.01 0.00 0.00 39.48 37.30 3abl n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3abl h HIS 226 N 0.00 0.47 -3.47 1.38 3.86 -1.57 -3.44 115.15 112.38 3abl h HIS 226 Ca -0.28 -0.06 -0.53 0.00 -1.16 0.00 0.00 60.37 58.34 3abl h HIS 226 Cb 0.91 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 3abl h HIS 226 CO 0.38 0.52 0.28 -0.06 0.86 0.00 0.00 177.93 179.91 3abl s PHE 227 N -4.83 3.73 0.43 2.45 0.08 -1.26 -4.95 117.98 113.64 3abl s PHE 227 Ca -0.07 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.63 3abl s PHE 227 Cb 0.15 -2.98 -0.00 0.00 -0.57 0.00 0.00 43.02 39.63 3abl s PHE 227 CO 0.76 0.17 0.64 0.95 -0.10 0.00 0.00 175.22 177.64 3abl s THR 228 N 0.28 3.87 0.21 0.64 -4.23 -0.63 -4.96 115.64 110.82 3abl s THR 228 Ca 0.45 -0.63 0.34 0.00 -1.18 0.00 0.00 61.69 60.67 3abl s THR 228 Cb -0.21 -3.41 0.35 0.00 1.34 0.00 0.00 72.50 70.57 3abl s THR 228 CO 0.26 -0.26 2.04 0.77 -0.54 0.00 0.00 174.62 176.89 3abl h SER 229 N 0.48 0.00 0.00 3.99 4.64 -1.90 -2.99 113.55 117.76 3abl h SER 229 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3abl h SER 229 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3abl h SER 229 CO 0.56 0.00 -1.36 0.59 -0.87 0.00 0.00 176.83 175.75 3abl n ASN 230 N -2.74 3.26 -3.88 4.97 3.02 -1.26 -4.21 115.26 114.42 3abl n ASN 230 Ca -0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.24 3abl n ASN 230 Cb 0.11 1.28 -0.16 0.00 -0.61 0.00 0.00 39.78 40.40 3abl n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3abl s HIS 231 N -2.49 1.87 -0.32 3.10 2.46 -1.13 -4.95 115.29 113.83 3abl s HIS 231 Ca -0.03 -1.34 0.05 0.00 0.47 0.00 0.00 55.06 54.22 3abl s HIS 231 Cb 0.05 -1.37 0.22 0.00 -0.13 0.00 0.00 32.58 31.34 3abl s HIS 231 CO 0.31 -0.69 1.17 -2.39 -2.47 0.00 0.00 174.74 170.68 3abl n HIS 232 N 4.82 -1.32 -0.14 3.88 1.44 -1.26 -1.60 115.22 121.04 3abl n HIS 232 Ca -0.11 -1.21 0.01 0.00 -2.01 0.00 0.00 57.72 54.40 3abl n HIS 232 Cb 0.46 1.32 0.29 0.00 0.12 0.00 0.00 29.99 32.18 3abl n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3abl h PHE 233 N 1.32 0.80 -0.92 -1.40 3.04 -1.97 -0.04 116.94 117.78 3abl h PHE 233 Ca -0.40 0.00 0.12 0.00 3.98 0.00 0.00 57.97 61.68 3abl h PHE 233 Cb 1.24 -0.27 -0.07 0.00 2.56 0.00 0.00 35.95 39.42 3abl h PHE 233 CO 0.01 0.53 0.59 0.78 -2.02 0.00 0.00 178.31 178.21 3abl h GLY 234 N 0.88 1.36 0.77 2.40 0.00 -1.99 -0.05 103.07 106.43 3abl h GLY 234 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3abl h GLY 234 CO -0.04 0.15 -0.05 -2.75 0.00 0.00 0.00 176.54 173.84 3abl h PHE 235 N 0.84 -0.14 -0.68 5.60 3.57 -1.44 -1.78 116.94 122.92 3abl h PHE 235 Ca 0.45 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.03 3abl h PHE 235 Cb 0.55 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.27 3abl h PHE 235 CO -0.00 0.12 0.33 0.93 -2.23 0.00 0.00 178.31 177.46 3abl h GLU 236 N -0.38 0.56 -0.60 1.11 5.08 -1.10 0.10 114.58 119.34 3abl h GLU 236 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3abl h GLU 236 Cb 0.31 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3abl h GLU 236 CO 0.02 0.37 0.12 0.00 -1.00 0.00 0.00 179.01 178.53 3abl h ALA 237 N 1.41 1.08 -0.36 3.43 0.00 -0.93 0.54 119.26 124.44 3abl h ALA 237 Ca 0.33 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3abl h ALA 237 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3abl h ALA 237 CO -0.26 0.60 -0.24 0.00 0.00 0.00 0.00 179.25 179.36 3abl h ALA 238 N 1.22 0.90 -0.38 0.00 0.00 -0.72 0.36 119.26 120.65 3abl h ALA 238 Ca 0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3abl h ALA 238 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3abl h ALA 238 CO 0.00 0.62 -0.32 0.00 0.00 0.00 0.00 179.25 179.56 3abl h ALA 239 N 1.10 0.72 -0.49 0.00 0.00 -0.62 0.14 119.26 120.11 3abl h ALA 239 Ca 0.09 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3abl h ALA 239 Cb 0.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3abl h ALA 239 CO 0.06 0.66 0.03 -1.49 0.00 0.00 0.00 179.25 178.51 3abl h TRP 240 N 0.70 0.92 -0.46 0.00 6.55 -0.53 -0.38 115.95 122.75 3abl h TRP 240 Ca 0.07 -0.15 -0.07 0.00 0.95 0.00 0.00 58.89 59.70 3abl h TRP 240 Cb 0.87 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.91 3abl h TRP 240 CO 0.05 0.86 0.03 -0.92 -1.05 0.00 0.00 178.44 177.41 3abl h TYR 241 N 0.72 0.86 -0.95 0.49 3.20 -0.08 -1.52 116.97 119.68 3abl h TYR 241 Ca 0.14 -0.14 0.14 0.00 3.14 0.00 0.00 58.73 62.01 3abl h TYR 241 Cb 0.47 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 3abl h TYR 241 CO 0.03 0.82 0.61 2.35 -1.64 0.00 0.00 178.16 180.33 3abl h TRP 242 N 0.65 0.99 -0.16 -3.82 2.91 -0.56 -0.34 115.95 115.62 3abl h TRP 242 Ca 0.14 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.09 3abl h TRP 242 Cb 0.45 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 3abl h TRP 242 CO 0.03 0.37 -0.25 0.45 -1.03 0.00 0.00 178.44 178.01 3abl h HIS 243 N 0.84 0.57 -0.41 2.65 3.86 -0.53 -1.98 115.15 120.15 3abl h HIS 243 Ca 0.48 -0.19 0.08 0.00 -1.16 0.00 0.00 60.37 59.58 3abl h HIS 243 Cb 0.63 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 28.89 3abl h HIS 243 CO -0.00 0.88 -0.35 0.35 0.86 0.00 0.00 177.93 179.66 3abl h PHE 244 N 0.09 -1.00 -0.99 2.45 3.04 -0.95 -0.34 116.94 119.25 3abl h PHE 244 Ca 0.01 0.06 0.18 0.00 3.98 0.00 0.00 57.97 62.20 3abl h PHE 244 Cb 0.83 0.50 -0.10 0.00 2.56 0.00 0.00 35.95 39.74 3abl h PHE 244 CO 0.09 -0.40 0.61 0.28 -2.02 0.00 0.00 178.31 176.88 3abl h VAL 245 N -0.27 0.75 -0.40 1.41 2.07 -0.90 -0.35 116.25 118.57 3abl h VAL 245 Ca 0.17 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 3abl h VAL 245 Cb 0.55 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3abl h VAL 245 CO -0.56 0.14 -0.35 -0.78 0.02 0.00 0.00 177.57 176.04 3abl h ASP 246 N 0.76 1.00 -0.03 0.57 3.58 -0.79 -2.02 116.42 119.49 3abl h ASP 246 Ca 0.54 -0.44 -0.18 0.00 0.42 0.00 0.00 57.03 57.37 3abl h ASP 246 Cb 0.85 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.64 3abl h ASP 246 CO -0.32 1.24 -0.69 0.58 -2.88 0.00 0.00 179.24 177.18 3abl h VAL 247 N 0.78 1.38 -0.80 2.25 2.07 0.12 -1.61 116.25 120.43 3abl h VAL 247 Ca 0.07 -2.06 0.12 0.00 0.82 0.00 0.00 66.70 65.65 3abl h VAL 247 Cb 0.95 2.44 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 3abl h VAL 247 CO 0.09 0.61 0.42 0.58 0.02 0.00 0.00 177.57 179.29 3abl h VAL 248 N 0.08 0.80 -0.86 2.57 2.07 -1.13 -0.94 116.25 118.84 3abl h VAL 248 Ca -0.08 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.31 3abl h VAL 248 Cb 1.37 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3abl h VAL 248 CO 0.14 0.12 0.51 -0.25 0.02 0.00 0.00 177.57 178.10 3abl h TRP 249 N 0.65 0.93 -0.34 1.57 2.91 -0.79 -1.54 115.95 119.34 3abl h TRP 249 Ca 0.42 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.41 3abl h TRP 249 Cb 0.51 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 3abl h TRP 249 CO -0.09 0.40 -0.02 -0.07 -1.03 0.00 0.00 178.44 177.63 3abl h LEU 250 N 0.87 0.60 -0.94 0.65 3.38 -0.24 0.35 115.31 119.97 3abl h LEU 250 Ca 0.41 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3abl h LEU 250 Cb 0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3abl h LEU 250 CO -0.23 0.78 0.62 -0.26 0.09 0.00 0.00 178.44 179.44 3abl h PHE 251 N 0.41 1.18 -0.52 1.13 -1.00 -1.21 -1.83 116.94 115.10 3abl h PHE 251 Ca 0.09 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 3abl h PHE 251 Cb 0.48 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3abl h PHE 251 CO 0.04 0.74 0.24 -0.07 -1.61 0.00 0.00 178.31 177.65 3abl h LEU 252 N 1.27 0.69 0.48 1.54 3.38 -0.79 -0.77 115.31 121.11 3abl h LEU 252 Ca 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3abl h LEU 252 Cb -0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3abl h LEU 252 CO -0.08 0.64 -0.30 0.22 0.09 0.00 0.00 178.44 179.01 3abl h TYR 253 N 0.70 -0.78 -0.27 1.13 3.20 -0.19 0.31 116.97 121.06 3abl h TYR 253 Ca 0.18 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3abl h TYR 253 Cb 0.13 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3abl h TYR 253 CO -0.00 -0.46 0.09 0.28 -1.64 0.00 0.00 178.16 176.44 3abl h VAL 254 N -0.74 1.19 0.45 1.81 2.07 -1.37 0.10 116.25 119.76 3abl h VAL 254 Ca -0.06 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3abl h VAL 254 Cb 0.61 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3abl h VAL 254 CO 0.06 0.20 -0.22 0.28 0.02 0.00 0.00 177.57 177.91 3abl h SER 255 N 0.28 -0.51 0.07 0.57 0.02 -1.03 0.15 113.55 113.10 3abl h SER 255 Ca 0.09 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.74 3abl h SER 255 Cb 0.22 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3abl h SER 255 CO -0.00 -0.12 -1.71 -0.38 -1.14 0.00 0.00 176.83 173.47 3abl n ILE 256 N -5.01 1.67 0.12 3.27 5.41 0.10 -1.24 119.36 123.68 3abl n ILE 256 Ca -0.08 -0.39 -0.23 0.00 1.00 0.00 0.00 62.75 63.06 3abl n ILE 256 Cb 0.24 -1.86 -0.15 0.00 -0.71 0.00 0.00 39.64 37.15 3abl n ILE 256 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3abl h TYR 257 N -0.40 0.83 0.00 1.39 0.05 -1.00 -3.26 116.97 114.58 3abl h TYR 257 Ca -0.40 -0.61 0.00 0.00 0.05 0.00 0.00 58.73 57.77 3abl h TYR 257 Cb 1.72 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.43 3abl h TYR 257 CO 0.08 1.55 0.00 1.87 -1.05 0.00 0.00 178.16 180.61 3abl n TRP 258 N -3.65 0.00 -0.25 4.88 -0.00 0.32 -4.13 117.44 114.62 3abl n TRP 258 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.36 3abl n TRP 258 Cb 1.09 -0.07 0.28 0.00 -0.00 0.00 0.00 31.31 32.61 3abl n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3abl h TRP 259 N 0.00 0.93 -0.09 5.87 7.01 -0.77 -2.41 115.95 126.49 3abl h TRP 259 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3abl h TRP 259 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.75 3abl h TRP 259 CO 0.00 0.51 0.00 0.41 -2.79 0.00 0.00 178.44 176.57 3abl n GLY 260 N -1.42 0.41 0.65 2.65 0.00 -0.37 -5.02 105.19 102.09 3abl n GLY 260 Ca 0.12 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3abl n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18