#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm s GLN 4 N 0.00 3.68 -0.17 1.57 -2.07 -1.26 -5.00 119.66 116.40 3abm s GLN 4 Ca 0.00 -0.02 0.14 0.00 -1.82 0.00 0.00 55.36 53.66 3abm s GLN 4 Cb 0.00 -3.24 0.41 0.00 -1.09 0.00 0.00 33.01 29.09 3abm s GLN 4 CO 0.00 0.67 1.21 0.25 -1.32 0.00 0.00 175.29 176.10 3abm n THR 5 N 2.24 1.83 -4.36 3.63 -2.24 -1.26 -5.01 114.28 109.11 3abm n THR 5 Ca -0.18 -2.83 -0.25 0.00 -2.27 0.00 0.00 64.05 58.53 3abm n THR 5 Cb 0.54 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 3abm n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3abm s HIS 6 N -2.69 2.53 -2.09 4.78 0.00 -1.26 -5.08 115.29 111.48 3abm s HIS 6 Ca 0.37 -0.43 0.14 0.00 -3.00 0.00 0.00 55.06 52.14 3abm s HIS 6 Cb 0.37 -1.43 0.51 0.00 -4.00 0.00 0.00 32.58 28.02 3abm s HIS 6 CO -0.08 0.51 1.37 0.00 -1.00 0.00 0.00 174.74 175.54 3abm n ALA 7 N -0.91 2.50 -2.20 -1.38 0.00 -1.26 -5.00 120.51 112.25 3abm n ALA 7 Ca -0.04 -0.44 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 3abm n ALA 7 Cb 0.62 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 19.04 3abm n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3abm s TYR 8 N -1.74 3.12 -0.32 0.00 2.02 -1.26 -4.54 117.35 114.63 3abm s TYR 8 Ca 0.24 0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 57.05 3abm s TYR 8 Cb 0.12 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 3abm s TYR 8 CO 0.18 -0.56 0.15 -1.58 -1.57 0.00 0.00 175.55 172.17 3abm s HIS 9 N -2.67 3.19 -0.42 2.71 5.04 -1.26 -5.04 115.29 116.85 3abm s HIS 9 Ca 0.51 -0.72 -0.25 0.00 -1.54 0.00 0.00 55.06 53.07 3abm s HIS 9 Cb -0.10 -2.36 0.02 0.00 0.04 0.00 0.00 32.58 30.18 3abm s HIS 9 CO 0.39 -0.51 0.89 -1.64 -2.34 0.00 0.00 174.74 171.53 3abm s MET 10 N 1.58 3.65 0.08 2.88 -1.94 -1.26 -5.04 119.30 119.26 3abm s MET 10 Ca 0.04 0.30 -0.16 0.00 -1.71 0.00 0.00 55.69 54.15 3abm s MET 10 Cb -0.18 -3.87 -0.06 0.00 2.01 0.00 0.00 34.83 32.73 3abm s MET 10 CO 0.06 -1.07 0.51 0.08 -0.01 0.00 0.00 175.02 174.59 3abm s VAL 11 N 3.54 4.87 0.53 -6.03 1.01 -1.26 -5.00 120.40 118.06 3abm s VAL 11 Ca 0.36 0.94 -0.21 0.00 0.00 0.00 0.00 61.98 63.07 3abm s VAL 11 Cb -0.11 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3abm s VAL 11 CO 0.22 0.43 1.28 0.20 0.00 0.00 0.00 175.10 177.23 3abm s ASN 12 N -1.36 5.49 0.14 3.32 0.02 -1.26 -4.89 114.94 116.39 3abm s ASN 12 Ca 0.31 2.58 -0.35 0.00 -1.02 0.00 0.00 52.86 54.38 3abm s ASN 12 Cb -0.17 -2.62 -0.16 0.00 0.02 0.00 0.00 41.25 38.32 3abm s ASN 12 CO 0.18 -1.41 1.33 -2.65 0.02 0.00 0.00 177.10 174.57 3abm n PRO 13 N -0.99 1.39 -4.48 -0.60 -0.02 -1.26 -4.96 135.00 124.08 3abm n PRO 13 Ca 0.10 0.50 -0.20 0.00 -2.02 0.00 0.00 63.50 61.88 3abm n PRO 13 Cb 0.47 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 3abm n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3abm s SER 14 N 0.38 1.32 0.17 2.55 0.15 -1.26 -5.03 113.70 111.97 3abm s SER 14 Ca 0.79 -0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.50 3abm s SER 14 Cb -0.85 -0.18 0.90 0.00 -1.71 0.00 0.00 66.02 64.19 3abm s SER 14 CO 0.47 0.13 1.80 -0.81 1.20 0.00 0.00 173.24 176.03 3abm n PRO 15 N 2.87 0.20 -0.03 5.44 -0.04 -1.26 -4.35 135.00 137.83 3abm n PRO 15 Ca -0.14 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.46 3abm n PRO 15 Cb 0.56 -1.74 0.18 0.00 -0.04 0.00 0.00 33.50 32.45 3abm n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3abm h TRP 16 N 0.00 0.66 -0.83 0.54 -0.00 -1.95 -1.73 115.95 112.64 3abm h TRP 16 Ca 0.00 -0.13 0.15 0.00 -0.00 0.00 0.00 58.89 58.91 3abm h TRP 16 Cb 0.66 -0.17 -0.09 0.00 -0.00 0.00 0.00 29.16 29.56 3abm h TRP 16 CO 0.00 0.74 0.41 -1.35 -0.00 0.00 0.00 178.44 178.24 3abm h PRO 17 N 0.53 0.56 -0.07 0.49 0.11 -1.98 0.38 132.00 132.02 3abm h PRO 17 Ca 0.09 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 3abm h PRO 17 Cb 0.61 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3abm h PRO 17 CO 0.04 0.37 -0.33 1.25 -0.21 0.00 0.00 178.00 179.12 3abm h LEU 18 N 0.58 0.42 -0.94 2.35 5.85 -1.71 -1.38 115.31 120.47 3abm h LEU 18 Ca 0.45 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3abm h LEU 18 Cb 0.66 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3abm h LEU 18 CO -0.37 0.99 0.62 0.71 -0.34 0.00 0.00 178.44 180.05 3abm h THR 19 N -0.13 1.24 -0.67 1.05 1.35 -1.11 -0.96 112.91 113.69 3abm h THR 19 Ca -0.02 -0.45 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 3abm h THR 19 Cb 0.98 -0.14 -0.05 0.00 -1.73 0.00 0.00 68.15 67.21 3abm h THR 19 CO 0.07 0.24 0.38 1.23 -0.25 0.00 0.00 175.52 177.19 3abm h GLY 20 N 1.28 0.97 0.82 5.82 0.00 -0.13 -0.62 103.07 111.20 3abm h GLY 20 Ca 0.34 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 3abm h GLY 20 CO -0.07 0.18 -0.23 0.00 0.00 0.00 0.00 176.54 176.42 3abm h ALA 21 N 1.33 0.27 -0.25 3.60 0.00 -0.81 -1.59 119.26 121.81 3abm h ALA 21 Ca 0.29 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3abm h ALA 21 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3abm h ALA 21 CO -0.16 0.23 0.04 -0.07 0.00 0.00 0.00 179.25 179.30 3abm h LEU 22 N 0.13 0.32 -0.47 0.00 3.38 -1.11 -2.24 115.31 115.32 3abm h LEU 22 Ca 0.02 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3abm h LEU 22 Cb 0.80 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3abm h LEU 22 CO 0.06 0.35 -0.24 0.77 0.09 0.00 0.00 178.44 179.46 3abm h SER 23 N 0.35 1.03 -0.78 -0.43 4.64 -0.60 -0.04 113.55 117.72 3abm h SER 23 Ca 0.08 -0.41 0.08 0.00 -0.47 0.00 0.00 61.79 61.08 3abm h SER 23 Cb 0.17 -0.29 -0.07 0.00 -0.31 0.00 0.00 62.40 61.91 3abm h SER 23 CO -0.00 1.21 0.45 0.00 -0.87 0.00 0.00 176.83 177.62 3abm h ALA 24 N 0.85 1.08 -0.52 5.18 0.00 -1.01 0.11 119.26 124.96 3abm h ALA 24 Ca 0.10 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3abm h ALA 24 Cb 0.83 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3abm h ALA 24 CO 0.07 0.11 0.20 1.25 0.00 0.00 0.00 179.25 180.88 3abm h LEU 25 N 0.78 0.22 -0.16 0.00 5.85 -0.83 -1.81 115.31 119.37 3abm h LEU 25 Ca 0.36 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.94 3abm h LEU 25 Cb 0.28 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3abm h LEU 25 CO -0.22 0.15 -0.67 -0.07 -0.34 0.00 0.00 178.44 177.29 3abm h LEU 26 N 0.39 0.86 -0.80 2.25 3.38 -0.22 -1.18 115.31 119.98 3abm h LEU 26 Ca 0.25 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3abm h LEU 26 Cb 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3abm h LEU 26 CO -0.24 1.34 0.23 0.24 0.09 0.00 0.00 178.44 180.09 3abm h MET 27 N 0.44 1.12 0.04 1.13 2.86 -0.82 0.28 114.93 119.98 3abm h MET 27 Ca -0.04 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.27 3abm h MET 27 Cb 1.30 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.81 3abm h MET 27 CO 0.14 0.95 -0.41 1.79 1.06 0.00 0.00 176.91 180.45 3abm h THR 28 N 1.08 1.57 -0.58 2.22 1.35 -1.30 -1.47 112.91 115.79 3abm h THR 28 Ca 0.24 -2.21 0.12 0.00 -0.55 0.00 0.00 66.41 64.00 3abm h THR 28 Cb 0.30 3.00 -0.11 0.00 -1.73 0.00 0.00 68.15 69.60 3abm h THR 28 CO -0.01 0.61 -0.19 0.28 -0.25 0.00 0.00 175.52 175.96 3abm h SER 29 N -0.51 -0.69 -0.89 5.36 0.02 -1.32 -1.64 113.55 113.87 3abm h SER 29 Ca -0.06 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3abm h SER 29 Cb 1.23 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 64.12 3abm h SER 29 CO 0.08 -0.23 0.56 1.23 -1.14 0.00 0.00 176.83 177.33 3abm h GLY 30 N -0.05 1.36 1.58 -3.77 0.00 -0.38 -0.76 103.07 101.05 3abm h GLY 30 Ca 0.27 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 3abm h GLY 30 CO -0.62 0.27 -0.72 1.41 0.00 0.00 0.00 176.54 176.88 3abm h LEU 31 N 1.01 0.49 -0.07 3.11 3.38 -0.84 -0.64 115.31 121.75 3abm h LEU 31 Ca 0.39 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3abm h LEU 31 Cb 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3abm h LEU 31 CO -0.18 1.06 -0.18 0.74 0.09 0.00 0.00 178.44 179.97 3abm h THR 32 N 0.29 0.55 -0.27 0.22 2.02 -1.00 0.26 112.91 114.97 3abm h THR 32 Ca -0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 3abm h THR 32 Cb 1.29 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3abm h THR 32 CO 0.12 0.00 0.05 -0.03 0.37 0.00 0.00 175.52 176.04 3abm h MET 33 N -0.25 0.15 0.05 6.66 -1.53 -0.84 0.84 114.93 120.00 3abm h MET 33 Ca 0.08 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.33 3abm h MET 33 Cb 0.36 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 3abm h MET 33 CO -0.22 0.10 -0.06 2.35 0.14 0.00 0.00 176.91 179.22 3abm h TRP 34 N 0.16 -0.16 0.00 1.39 7.01 0.09 0.50 115.95 124.94 3abm h TRP 34 Ca 0.13 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.06 3abm h TRP 34 Cb 0.13 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 3abm h TRP 34 CO -0.16 -0.10 -0.33 0.74 -2.79 0.00 0.00 178.44 175.80 3abm h PHE 35 N -0.13 0.00 0.00 2.65 0.04 -0.04 -3.26 116.94 116.19 3abm h PHE 35 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3abm h PHE 35 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3abm h PHE 35 CO -0.11 0.33 -0.33 0.72 -0.60 0.00 0.00 178.31 178.32 3abm n HIS 36 N -3.63 0.00 -2.11 -0.55 8.25 0.25 -4.75 115.22 112.67 3abm n HIS 36 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3abm n HIS 36 Cb 0.45 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.63 3abm n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3abm n PHE 37 N -0.88 0.00 -3.78 4.41 3.72 0.17 -5.01 117.46 116.09 3abm n PHE 37 Ca 0.00 -0.70 -0.27 0.00 -0.05 0.00 0.00 57.45 56.43 3abm n PHE 37 Cb 0.00 -0.16 0.05 0.00 -0.94 0.00 0.00 39.48 38.43 3abm n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3abm n ASN 38 N -0.10 -4.95 -3.69 4.37 5.15 -0.90 -4.84 115.26 110.30 3abm n ASN 38 Ca 0.09 -0.70 -0.14 0.00 -0.60 0.00 0.00 54.58 53.23 3abm n ASN 38 Cb 0.94 -4.31 -0.09 0.00 -0.53 0.00 0.00 39.78 35.79 3abm n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3abm s SER 39 N -3.43 -0.48 0.00 1.20 0.15 -1.13 -5.00 113.70 105.01 3abm s SER 39 Ca 0.57 0.81 0.08 0.00 0.70 0.00 0.00 55.95 58.11 3abm s SER 39 Cb -0.27 0.84 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 3abm s SER 39 CO 0.79 -0.28 0.81 0.23 1.20 0.00 0.00 173.24 175.99 3abm n MET 40 N 2.27 0.49 0.36 5.44 2.81 -1.26 -1.41 117.12 125.82 3abm n MET 40 Ca -0.16 -1.10 -0.16 0.00 -1.81 0.00 0.00 57.70 54.48 3abm n MET 40 Cb 0.56 -1.16 -0.08 0.00 -0.71 0.00 0.00 33.22 31.84 3abm n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3abm h THR 41 N 1.54 0.13 -0.96 2.03 2.02 -1.97 -0.33 112.91 115.37 3abm h THR 41 Ca 0.00 -0.27 0.10 0.00 0.77 0.00 0.00 66.41 67.01 3abm h THR 41 Cb 0.38 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 66.88 3abm h THR 41 CO 0.00 0.02 0.62 -0.07 0.37 0.00 0.00 175.52 176.45 3abm h LEU 42 N -1.17 0.91 -0.13 2.58 3.38 -1.88 -1.99 115.31 117.01 3abm h LEU 42 Ca -0.10 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3abm h LEU 42 Cb 0.74 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3abm h LEU 42 CO 0.16 0.53 0.02 0.25 0.09 0.00 0.00 178.44 179.48 3abm h LEU 43 N 1.00 -0.01 -0.52 1.67 5.85 -1.66 0.03 115.31 121.67 3abm h LEU 43 Ca 0.45 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.22 3abm h LEU 43 Cb 0.38 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3abm h LEU 43 CO -0.21 0.02 0.30 0.24 -0.34 0.00 0.00 178.44 178.44 3abm h MET 44 N 0.07 0.57 -0.63 1.25 2.86 -0.40 -0.47 114.93 118.18 3abm h MET 44 Ca 0.06 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3abm h MET 44 Cb 0.05 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3abm h MET 44 CO -0.08 0.37 0.18 0.82 1.06 0.00 0.00 176.91 179.27 3abm h ILE 45 N 0.58 1.25 -0.68 -1.22 2.04 -1.17 -1.68 117.51 116.64 3abm h ILE 45 Ca 0.22 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 3abm h ILE 45 Cb 0.06 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3abm h ILE 45 CO -0.12 0.33 0.23 1.23 0.00 0.00 0.00 178.15 179.82 3abm h GLY 46 N 0.91 1.12 1.31 5.37 0.00 -0.54 -0.14 103.07 111.10 3abm h GLY 46 Ca 0.20 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3abm h GLY 46 CO -0.00 0.61 0.21 1.41 0.00 0.00 0.00 176.54 178.77 3abm h LEU 47 N 0.98 0.80 -0.10 3.11 3.38 -0.86 -0.60 115.31 122.03 3abm h LEU 47 Ca 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3abm h LEU 47 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3abm h LEU 47 CO -0.01 0.74 -0.06 0.74 0.09 0.00 0.00 178.44 179.94 3abm h THR 48 N 0.86 1.34 0.00 0.22 2.02 -0.58 -1.79 112.91 114.98 3abm h THR 48 Ca 0.20 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 3abm h THR 48 Cb 0.21 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3abm h THR 48 CO -0.01 0.32 -0.27 0.71 0.37 0.00 0.00 175.52 176.63 3abm h THR 49 N -0.16 0.53 0.13 3.16 1.35 -0.82 -1.63 112.91 115.46 3abm h THR 49 Ca 0.02 -1.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 3abm h THR 49 Cb 0.54 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3abm h THR 49 CO 0.02 0.27 -0.06 -1.13 -0.25 0.00 0.00 175.52 174.36 3abm h ASN 50 N 0.00 -0.15 -0.33 5.36 -1.24 -0.98 -0.11 115.58 118.14 3abm h ASN 50 Ca -0.00 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 3abm h ASN 50 Cb 1.04 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 3abm h ASN 50 CO 0.04 0.00 0.05 0.24 -1.29 0.00 0.00 177.43 176.47 3abm h MET 51 N -0.29 0.54 -0.19 6.67 2.86 -1.03 -1.66 114.93 121.83 3abm h MET 51 Ca -0.02 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3abm h MET 51 Cb 0.23 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 3abm h MET 51 CO 0.03 0.63 -0.23 -0.07 1.06 0.00 0.00 176.91 178.33 3abm h LEU 52 N 0.37 -0.72 -0.28 1.22 3.38 -1.36 -1.09 115.31 116.82 3abm h LEU 52 Ca 0.10 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.26 3abm h LEU 52 Cb 0.36 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 3abm h LEU 52 CO 0.01 -0.27 -0.24 0.74 0.09 0.00 0.00 178.44 178.76 3abm h THR 53 N -0.26 0.38 -0.32 0.22 2.02 -0.81 -2.31 112.91 111.83 3abm h THR 53 Ca 0.12 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3abm h THR 53 Cb 0.44 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3abm h THR 53 CO -0.34 0.00 0.03 0.24 0.37 0.00 0.00 175.52 175.82 3abm h MET 54 N -0.23 0.54 -0.47 6.66 2.86 -1.19 -1.03 114.93 122.08 3abm h MET 54 Ca 0.15 -0.16 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 3abm h MET 54 Cb 0.46 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.96 3abm h MET 54 CO -0.42 0.65 -0.31 -0.92 1.06 0.00 0.00 176.91 176.97 3abm h TYR 55 N 0.36 -0.86 -0.10 -0.22 3.20 -1.12 -1.97 116.97 116.25 3abm h TYR 55 Ca 0.09 0.06 -0.18 0.00 3.14 0.00 0.00 58.73 61.85 3abm h TYR 55 Cb 0.39 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 3abm h TYR 55 CO 0.03 -0.37 -0.69 1.96 -1.64 0.00 0.00 178.16 177.45 3abm h GLN 56 N -0.20 0.45 -0.05 1.82 4.20 -1.31 0.18 115.11 120.20 3abm h GLN 56 Ca 0.20 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3abm h GLN 56 Cb 0.53 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3abm h GLN 56 CO -0.59 0.97 -0.03 2.35 -0.67 0.00 0.00 178.83 180.86 3abm h TRP 57 N 0.32 0.12 -0.27 2.96 2.91 -1.16 -0.72 115.95 120.11 3abm h TRP 57 Ca -0.02 -0.03 -0.18 0.00 1.13 0.00 0.00 58.89 59.78 3abm h TRP 57 Cb 1.25 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.88 3abm h TRP 57 CO 0.05 0.53 -0.55 -1.49 -1.03 0.00 0.00 178.44 175.94 3abm h TRP 58 N -0.32 1.03 -0.85 2.65 6.55 -1.35 -1.85 115.95 121.81 3abm h TRP 58 Ca 0.01 -0.37 0.13 0.00 0.95 0.00 0.00 58.89 59.62 3abm h TRP 58 Cb 0.50 -0.19 -0.14 0.00 -0.86 0.00 0.00 29.16 28.47 3abm h TRP 58 CO 0.08 1.18 -0.38 -0.09 -1.05 0.00 0.00 178.44 178.18 3abm h ARG 59 N 0.63 -0.06 -0.10 0.49 2.43 -0.95 -1.36 114.38 115.45 3abm h ARG 59 Ca 0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3abm h ARG 59 Cb 1.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3abm h ARG 59 CO 0.12 -0.04 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.78 3abm h ASP 60 N -0.06 0.20 -0.60 -3.80 3.32 -0.67 0.18 116.42 114.99 3abm h ASP 60 Ca 0.30 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3abm h ASP 60 Cb 0.58 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3abm h ASP 60 CO -0.88 0.51 0.12 0.58 -1.72 0.00 0.00 179.24 177.86 3abm h VAL 61 N 0.17 1.25 -0.46 -1.35 2.07 -0.51 -0.09 116.25 117.33 3abm h VAL 61 Ca 0.02 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 3abm h VAL 61 Cb 0.66 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3abm h VAL 61 CO 0.05 0.36 -0.25 0.40 0.02 0.00 0.00 177.57 178.15 3abm h ILE 62 N 0.95 1.27 -0.38 4.57 2.04 -0.54 -2.43 117.51 122.99 3abm h ILE 62 Ca 0.20 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.68 3abm h ILE 62 Cb 0.38 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3abm h ILE 62 CO 0.01 0.49 0.14 0.03 0.00 0.00 0.00 178.15 178.81 3abm h ARG 63 N 0.83 0.29 -0.15 2.37 3.08 -0.54 -0.63 114.38 119.63 3abm h ARG 63 Ca 0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3abm h ARG 63 Cb 0.83 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3abm h ARG 63 CO 0.07 0.19 0.09 0.93 -1.07 0.00 0.00 179.97 180.18 3abm h GLU 64 N 0.30 0.20 0.00 0.04 5.08 -0.97 0.34 114.58 119.57 3abm h GLU 64 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3abm h GLU 64 Cb 0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3abm h GLU 64 CO -0.17 0.14 -0.50 -1.13 -1.00 0.00 0.00 179.01 176.35 3abm n SER 65 N -4.51 1.17 -0.20 1.42 3.41 -0.92 -0.86 113.62 113.13 3abm n SER 65 Ca -0.01 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.71 3abm n SER 65 Cb 0.09 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 3abm n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3abm h THR 66 N -0.50 1.25 0.02 6.66 2.02 -1.30 -2.41 112.91 118.65 3abm h THR 66 Ca 0.00 -0.91 -0.36 0.00 0.77 0.00 0.00 66.41 65.91 3abm h THR 66 Cb 0.50 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 3abm h THR 66 CO 0.00 0.33 -2.19 0.49 0.37 0.00 0.00 175.52 174.52 3abm n PHE 67 N -4.38 0.44 0.54 3.16 0.99 -0.99 -4.55 117.46 112.68 3abm n PHE 67 Ca 0.02 0.13 0.06 0.00 -0.00 0.00 0.00 57.45 57.66 3abm n PHE 67 Cb 0.24 -1.07 -0.00 0.00 -1.00 0.00 0.00 39.48 37.65 3abm n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3abm n GLN 68 N -3.06 1.95 -1.31 -1.08 6.02 0.12 -5.00 117.38 115.00 3abm n GLN 68 Ca -0.32 -0.67 -0.05 0.00 -0.01 0.00 0.00 57.00 55.95 3abm n GLN 68 Cb 1.07 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 31.17 3abm n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3abm n GLY 69 N 0.99 0.65 0.00 1.08 0.00 -0.91 -4.92 105.19 102.08 3abm n GLY 69 Ca 0.05 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.40 3abm n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abm n HIS 70 N -3.07 0.00 -3.11 1.61 8.25 -0.04 -4.37 115.22 114.50 3abm n HIS 70 Ca -0.05 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.96 3abm n HIS 70 Cb 0.23 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3abm n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3abm s HIS 71 N -2.65 3.71 0.87 4.41 3.76 -1.26 -4.68 115.29 119.45 3abm s HIS 71 Ca 0.26 -2.17 -0.12 0.00 -0.15 0.00 0.00 55.06 52.88 3abm s HIS 71 Cb 0.20 -4.11 0.11 0.00 1.11 0.00 0.00 32.58 29.90 3abm s HIS 71 CO 0.47 -1.23 1.11 0.95 -0.85 0.00 0.00 174.74 175.20 3abm s THR 72 N 0.72 2.54 0.47 1.30 -4.23 -1.26 -4.71 115.64 110.47 3abm s THR 72 Ca 0.35 0.18 0.21 0.00 -1.18 0.00 0.00 61.69 61.24 3abm s THR 72 Cb -0.06 -2.86 0.39 0.00 1.34 0.00 0.00 72.50 71.31 3abm s THR 72 CO -0.05 -0.23 1.93 -0.65 -0.54 0.00 0.00 174.62 175.08 3abm h PRO 73 N -1.38 0.24 0.01 3.99 0.11 -1.94 -1.14 132.00 131.89 3abm h PRO 73 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3abm h PRO 73 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3abm h PRO 73 CO 0.59 0.16 -0.00 0.00 -0.21 0.00 0.00 178.00 178.54 3abm h ALA 74 N 1.65 -0.01 -0.44 -0.75 0.00 -1.91 0.03 119.26 117.82 3abm h ALA 74 Ca 0.36 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3abm h ALA 74 Cb 1.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3abm h ALA 74 CO -0.08 -0.36 0.11 0.28 0.00 0.00 0.00 179.25 179.20 3abm h VAL 75 N -0.30 0.80 -0.22 0.00 2.07 -1.67 -2.24 116.25 114.69 3abm h VAL 75 Ca -0.00 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3abm h VAL 75 Cb 0.29 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3abm h VAL 75 CO 0.00 0.05 0.12 1.56 0.02 0.00 0.00 177.57 179.32 3abm h GLN 76 N 0.26 0.25 -0.91 1.57 4.20 -0.96 -0.81 115.11 118.72 3abm h GLN 76 Ca 0.21 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.02 3abm h GLN 76 Cb 0.25 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.91 3abm h GLN 76 CO -0.26 0.17 0.58 -0.22 -0.67 0.00 0.00 178.83 178.43 3abm h LYS 77 N 0.26 0.83 -0.46 1.46 3.64 -0.85 -0.45 116.57 121.00 3abm h LYS 77 Ca 0.09 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3abm h LYS 77 Cb 0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3abm h LYS 77 CO -0.05 0.55 -0.17 0.78 -2.27 0.00 0.00 179.45 178.29 3abm h GLY 78 N 0.86 1.01 1.07 5.01 0.00 -0.64 -2.39 103.07 107.99 3abm h GLY 78 Ca 0.43 -0.88 0.03 0.00 0.00 0.00 0.00 47.33 46.91 3abm h GLY 78 CO -0.20 0.80 0.58 1.41 0.00 0.00 0.00 176.54 179.13 3abm h LEU 79 N 0.78 0.96 0.07 3.11 3.38 -0.39 0.77 115.31 123.99 3abm h LEU 79 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3abm h LEU 79 Cb 0.74 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3abm h LEU 79 CO 0.06 0.67 -0.04 0.03 0.09 0.00 0.00 178.44 179.25 3abm h ARG 80 N 1.12 -0.10 -0.23 1.13 3.08 -0.78 -1.01 114.38 117.59 3abm h ARG 80 Ca 0.34 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.45 3abm h ARG 80 Cb -0.03 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3abm h ARG 80 CO -0.09 -0.07 -0.11 1.88 -1.07 0.00 0.00 179.97 180.51 3abm h TYR 81 N -0.10 -0.26 -0.61 3.04 0.05 -1.07 -1.66 116.97 116.36 3abm h TYR 81 Ca -0.01 0.03 0.12 0.00 0.05 0.00 0.00 58.73 58.91 3abm h TYR 81 Cb 0.08 0.15 -0.09 0.00 1.01 0.00 0.00 36.73 37.88 3abm h TYR 81 CO -0.08 -0.17 0.12 0.78 -1.05 0.00 0.00 178.16 177.77 3abm h GLY 82 N -0.08 0.77 1.19 3.88 0.00 -0.56 -0.24 103.07 108.04 3abm h GLY 82 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 3abm h GLY 82 CO -0.29 -0.12 -0.29 1.98 0.00 0.00 0.00 176.54 177.82 3abm h MET 83 N 0.25 0.91 -0.61 4.80 1.85 -0.93 -1.20 114.93 119.99 3abm h MET 83 Ca 0.32 -0.42 -0.08 0.00 -0.61 0.00 0.00 59.70 58.91 3abm h MET 83 Cb 0.48 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 3abm h MET 83 CO -0.42 1.07 0.06 0.82 -0.40 0.00 0.00 176.91 178.04 3abm h ILE 84 N 0.77 1.26 -0.42 1.77 2.04 -0.46 -1.14 117.51 121.33 3abm h ILE 84 Ca 0.09 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 3abm h ILE 84 Cb 0.86 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3abm h ILE 84 CO 0.08 0.39 -0.23 -0.07 0.00 0.00 0.00 178.15 178.32 3abm h LEU 85 N 0.96 0.87 -0.35 1.44 3.38 -0.96 -1.10 115.31 119.54 3abm h LEU 85 Ca 0.18 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3abm h LEU 85 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3abm h LEU 85 CO 0.02 1.07 0.14 0.15 0.09 0.00 0.00 178.44 179.91 3abm h PHE 86 N 0.74 0.54 -0.43 1.13 3.57 -0.62 -1.08 116.94 120.78 3abm h PHE 86 Ca 0.10 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3abm h PHE 86 Cb 0.77 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3abm h PHE 86 CO 0.04 0.49 -0.02 0.82 -2.23 0.00 0.00 178.31 177.42 3abm h ILE 87 N 0.42 1.23 -0.37 1.41 2.04 -0.99 -1.36 117.51 119.90 3abm h ILE 87 Ca 0.12 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3abm h ILE 87 Cb 0.18 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3abm h ILE 87 CO -0.01 0.34 0.09 0.40 0.00 0.00 0.00 178.15 178.97 3abm h ILE 88 N 0.66 0.84 -0.12 -0.67 2.04 -0.54 0.37 117.51 120.08 3abm h ILE 88 Ca 0.13 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3abm h ILE 88 Cb 0.44 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3abm h ILE 88 CO 0.02 0.04 -0.06 0.77 0.00 0.00 0.00 178.15 178.92 3abm h SER 89 N 0.22 0.16 -0.34 1.72 4.64 -0.17 -2.18 113.55 117.60 3abm h SER 89 Ca 0.17 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 3abm h SER 89 Cb 0.19 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3abm h SER 89 CO -0.21 0.25 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.34 3abm h GLU 90 N 0.17 0.83 -0.98 4.77 4.39 -0.36 -1.76 114.58 121.64 3abm h GLU 90 Ca 0.04 -0.43 0.11 0.00 0.34 0.00 0.00 59.36 59.41 3abm h GLU 90 Cb 0.22 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.81 3abm h GLU 90 CO 0.01 1.07 0.62 0.28 -1.16 0.00 0.00 179.01 179.83 3abm h VAL 91 N 0.61 0.96 -0.12 3.13 2.07 -0.61 -1.60 116.25 120.70 3abm h VAL 91 Ca 0.06 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 3abm h VAL 91 Cb 0.91 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3abm h VAL 91 CO 0.08 0.18 -0.50 -0.07 0.02 0.00 0.00 177.57 177.28 3abm h LEU 92 N 1.00 0.33 0.13 2.57 -0.00 -0.83 -0.38 115.31 118.14 3abm h LEU 92 Ca 0.47 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.17 3abm h LEU 92 Cb 0.42 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3abm h LEU 92 CO -0.23 0.78 -0.06 0.15 -0.00 0.00 0.00 178.44 179.08 3abm h PHE 93 N 0.24 -0.17 -0.82 1.13 3.57 -0.86 -2.66 116.94 117.37 3abm h PHE 93 Ca 0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3abm h PHE 93 Cb 0.97 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 3abm h PHE 93 CO 0.02 -0.07 0.54 0.74 -2.23 0.00 0.00 178.31 177.32 3abm h PHE 94 N -0.23 1.00 -0.64 0.41 -1.00 -1.11 -2.75 116.94 112.62 3abm h PHE 94 Ca -0.02 0.02 0.12 0.00 2.81 0.00 0.00 57.97 60.91 3abm h PHE 94 Cb 0.18 -0.34 -0.09 0.00 3.61 0.00 0.00 35.95 39.31 3abm h PHE 94 CO -0.05 0.60 0.16 1.15 -1.61 0.00 0.00 178.31 178.56 3abm h THR 95 N 1.05 0.63 -0.17 -1.55 2.02 -0.74 -0.77 112.91 113.38 3abm h THR 95 Ca 0.32 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.45 3abm h THR 95 Cb -0.03 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3abm h THR 95 CO -0.08 0.05 0.14 1.23 0.37 0.00 0.00 175.52 177.23 3abm h GLY 96 N 0.29 0.00 1.77 2.16 0.00 -1.17 0.33 103.07 106.45 3abm h GLY 96 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.43 3abm h GLY 96 CO -0.42 0.00 -1.16 0.74 0.00 0.00 0.00 176.54 175.71 3abm h PHE 97 N 0.00 0.16 -0.09 5.60 0.04 -1.23 -1.56 116.94 119.86 3abm h PHE 97 Ca 0.08 -0.12 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 3abm h PHE 97 Cb 0.36 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3abm h PHE 97 CO 0.00 1.10 -0.37 0.74 -0.60 0.00 0.00 178.31 179.19 3abm h PHE 98 N 0.02 0.54 -0.61 -0.55 0.04 -1.02 -1.71 116.94 113.65 3abm h PHE 98 Ca -0.08 -0.23 0.13 0.00 2.80 0.00 0.00 57.97 60.59 3abm h PHE 98 Cb 1.86 -0.09 -0.10 0.00 2.20 0.00 0.00 35.95 39.82 3abm h PHE 98 CO 0.02 0.97 -0.02 2.35 -0.60 0.00 0.00 178.31 181.04 3abm h TRP 99 N -0.06 -0.08 -0.84 -0.55 2.91 -0.97 0.25 115.95 116.62 3abm h TRP 99 Ca -0.02 0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.05 3abm h TRP 99 Cb 1.01 0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 29.74 3abm h TRP 99 CO 0.12 -0.18 0.56 0.00 -1.03 0.00 0.00 178.44 177.91 3abm h ALA 100 N 1.56 1.07 -0.08 2.65 0.00 -1.10 -0.59 119.26 122.77 3abm h ALA 100 Ca 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3abm h ALA 100 Cb 0.50 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3abm h ALA 100 CO -0.53 0.48 0.02 0.35 0.00 0.00 0.00 179.25 179.57 3abm h PHE 101 N 1.14 0.13 -0.51 0.00 3.57 -0.63 -2.43 116.94 118.21 3abm h PHE 101 Ca 0.31 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3abm h PHE 101 Cb -0.13 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3abm h PHE 101 CO -0.01 0.30 -0.13 1.88 -2.23 0.00 0.00 178.31 178.12 3abm h TYR 102 N -0.08 1.09 -0.51 0.41 -1.99 -0.72 -0.49 116.97 114.67 3abm h TYR 102 Ca 0.02 -0.23 0.07 0.00 2.00 0.00 0.00 58.73 60.60 3abm h TYR 102 Cb 0.23 -0.27 -0.06 0.00 2.00 0.00 0.00 36.73 38.63 3abm h TYR 102 CO 0.00 1.03 0.18 1.25 -0.00 0.00 0.00 178.16 180.62 3abm h HIS 103 N 0.86 0.31 0.08 4.88 2.76 -1.08 -0.60 115.15 122.36 3abm h HIS 103 Ca 0.13 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 58.07 3abm h HIS 103 Cb 0.68 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 3abm h HIS 103 CO 0.04 0.09 -1.27 0.77 -1.30 0.00 0.00 177.93 176.26 3abm h SER 104 N 0.35 0.25 1.10 3.26 0.02 -1.23 -3.20 113.55 114.10 3abm h SER 104 Ca 0.25 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3abm h SER 104 Cb 0.28 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3abm h SER 104 CO -0.26 1.24 -0.95 0.77 -1.14 0.00 0.00 176.83 176.49 3abm h SER 105 N 0.04 0.00 1.63 3.07 4.64 -1.03 -3.24 113.55 118.66 3abm h SER 105 Ca -0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3abm h SER 105 Cb 1.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 3abm h SER 105 CO 0.16 0.52 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.19 3abm h LEU 106 N 0.00 0.00 -6.04 5.97 3.38 -1.21 -3.37 115.31 114.03 3abm h LEU 106 Ca -0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.32 3abm h LEU 106 Cb 1.47 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.81 3abm h LEU 106 CO 0.05 0.24 -0.90 0.00 0.09 0.00 0.00 178.44 177.92 3abm n ALA 107 N -2.18 3.11 -1.87 1.53 0.00 -1.21 -5.10 120.51 114.80 3abm n ALA 107 Ca 0.02 -3.97 -0.42 0.00 0.00 0.00 0.00 53.44 49.07 3abm n ALA 107 Cb 0.63 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 3abm n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3abm s PRO 108 N -1.83 4.19 0.82 0.00 0.04 -1.22 -4.85 135.00 132.14 3abm s PRO 108 Ca 0.38 2.43 -0.12 0.00 0.04 0.00 0.00 61.00 63.72 3abm s PRO 108 Cb 0.18 -3.30 0.09 0.00 0.04 0.00 0.00 34.50 31.50 3abm s PRO 108 CO -0.07 -0.69 1.18 0.95 0.04 0.00 0.00 177.00 178.41 3abm s THR 109 N 1.70 2.00 0.50 1.26 -4.23 -1.26 -4.24 115.64 111.37 3abm s THR 109 Ca 0.73 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.39 3abm s THR 109 Cb -0.44 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.68 3abm s THR 109 CO 0.32 0.00 2.13 -0.65 -0.54 0.00 0.00 174.62 175.88 3abm h PRO 110 N -1.09 0.09 0.00 3.99 0.11 -1.93 0.88 132.00 134.04 3abm h PRO 110 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3abm h PRO 110 Cb 1.33 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3abm h PRO 110 CO 0.65 0.06 -0.01 0.93 -0.21 0.00 0.00 178.00 179.42 3abm h GLU 111 N 0.09 0.00 -0.00 1.05 3.07 -2.02 0.45 114.58 117.22 3abm h GLU 111 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3abm h GLU 111 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3abm h GLU 111 CO -0.01 0.01 -0.57 1.28 -1.40 0.00 0.00 179.01 178.32 3abm n LEU 112 N -3.37 0.67 0.00 1.33 4.77 -0.73 -4.89 117.00 114.78 3abm n LEU 112 Ca -0.03 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3abm n LEU 112 Cb 0.10 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3abm n LEU 112 CO 0.24 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3abm n GLY 113 N 1.48 0.94 2.41 -0.72 0.00 0.15 -0.50 105.19 108.95 3abm n GLY 113 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3abm n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 114 N -2.00 -0.23 3.22 -0.02 0.00 0.23 -4.94 105.19 101.45 3abm n GLY 114 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3abm n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abm s TRP 116 N -3.93 1.07 0.61 0.00 -0.11 -1.26 -3.45 118.94 111.88 3abm s TRP 116 Ca 0.11 -0.30 -0.18 0.00 1.22 0.00 0.00 56.10 56.95 3abm s TRP 116 Cb 0.05 -0.78 -0.04 0.00 -1.50 0.00 0.00 33.47 31.20 3abm s TRP 116 CO -0.06 -0.14 1.01 -2.30 -4.62 0.00 0.00 176.95 170.84 3abm n PRO 117 N 3.44 0.92 -0.74 5.86 -0.02 -1.26 -4.97 135.00 138.23 3abm n PRO 117 Ca -0.20 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.32 3abm n PRO 117 Cb 0.53 -2.22 0.16 0.00 -0.02 0.00 0.00 33.50 31.95 3abm n PRO 117 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3abm n PRO 118 N -1.17 -0.37 -1.64 0.52 -0.02 -1.22 -4.87 135.00 126.24 3abm n PRO 118 Ca 0.14 -0.04 -0.46 0.00 -2.02 0.00 0.00 63.50 61.12 3abm n PRO 118 Cb 0.48 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3abm n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3abm n THR 119 N -4.05 0.95 -0.31 3.45 -1.04 0.34 -1.77 114.28 111.85 3abm n THR 119 Ca 0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3abm n THR 119 Cb 0.52 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 3abm n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3abm n GLY 120 N 2.09 0.68 3.52 3.41 0.00 -1.26 -4.98 105.19 108.65 3abm n GLY 120 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3abm n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abm s ILE 121 N -2.56 3.71 -0.33 -0.61 -1.09 -0.73 -5.06 121.20 114.53 3abm s ILE 121 Ca 0.00 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.00 3abm s ILE 121 Cb 0.00 -2.57 0.10 0.00 -1.58 0.00 0.00 42.46 38.41 3abm s ILE 121 CO 0.00 0.54 0.07 -1.00 -1.23 0.00 0.00 174.94 173.32 3abm s HIS 122 N -0.14 3.07 0.81 3.97 3.76 -1.26 -4.83 115.29 120.66 3abm s HIS 122 Ca 0.02 -2.59 -0.12 0.00 -0.15 0.00 0.00 55.06 52.22 3abm s HIS 122 Cb -0.13 -2.52 0.08 0.00 1.11 0.00 0.00 32.58 31.12 3abm s HIS 122 CO 0.03 -0.92 1.14 -2.14 -0.85 0.00 0.00 174.74 171.99 3abm s PRO 123 N 1.11 1.80 0.73 8.40 0.02 -1.26 -4.83 135.00 140.98 3abm s PRO 123 Ca 0.11 1.47 -0.14 0.00 0.02 0.00 0.00 61.00 62.46 3abm s PRO 123 Cb -0.19 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3abm s PRO 123 CO -0.14 -2.03 1.14 -0.51 -0.33 0.00 0.00 177.00 175.13 3abm s LEU 124 N -5.92 3.24 -0.22 -5.54 1.43 -1.26 -4.96 118.68 105.46 3abm s LEU 124 Ca 0.67 2.08 -0.27 0.00 -1.03 0.00 0.00 54.13 55.58 3abm s LEU 124 Cb -0.22 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.44 3abm s LEU 124 CO 0.53 -2.05 0.96 0.21 0.23 0.00 0.00 176.35 176.23 3abm s ASN 125 N -2.59 7.03 0.00 2.29 3.84 -1.26 -4.90 114.94 119.35 3abm s ASN 125 Ca 0.68 1.28 0.16 0.00 0.21 0.00 0.00 52.86 55.19 3abm s ASN 125 Cb -0.22 -2.50 0.88 0.00 -0.55 0.00 0.00 41.25 38.85 3abm s ASN 125 CO 0.47 -0.58 1.44 -0.81 -2.79 0.00 0.00 177.10 174.83 3abm n PRO 126 N 6.00 0.33 -0.17 0.43 -0.04 -1.26 -1.68 135.00 138.61 3abm n PRO 126 Ca 0.09 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3abm n PRO 126 Cb 0.47 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.68 3abm n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3abm n LEU 127 N -1.19 3.01 0.00 1.53 7.99 -1.26 -2.89 117.00 124.19 3abm n LEU 127 Ca 0.09 -1.30 0.00 0.00 -0.01 0.00 0.00 56.01 54.79 3abm n LEU 127 Cb 0.10 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 3abm n LEU 127 CO 0.11 0.65 0.00 -0.62 -1.51 0.00 0.00 177.39 176.02 3abm n GLU 128 N 1.20 0.00 -0.26 3.23 1.02 -0.68 -4.67 120.64 120.48 3abm n GLU 128 Ca 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.29 3abm n GLU 128 Cb 0.53 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.07 3abm n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3abm h VAL 129 N 0.00 1.25 -0.33 2.62 2.07 -1.89 -1.81 116.25 118.16 3abm h VAL 129 Ca 0.00 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.86 3abm h VAL 129 Cb 0.00 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3abm h VAL 129 CO 0.00 0.31 0.24 -0.65 0.02 0.00 0.00 177.57 177.48 3abm h PRO 130 N 1.09 0.09 0.04 1.57 0.11 -1.78 0.25 132.00 133.35 3abm h PRO 130 Ca 0.26 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.21 3abm h PRO 130 Cb 0.16 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.27 3abm h PRO 130 CO -0.03 0.06 -0.63 1.25 -0.21 0.00 0.00 178.00 178.44 3abm h LEU 131 N 0.09 0.49 -0.18 2.35 5.85 -1.22 -1.71 115.31 120.98 3abm h LEU 131 Ca 0.16 -0.81 0.05 0.00 0.84 0.00 0.00 57.88 58.11 3abm h LEU 131 Cb 0.51 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3abm h LEU 131 CO -0.01 1.25 -0.12 0.25 -0.34 0.00 0.00 178.44 179.46 3abm h LEU 132 N -0.20 -0.40 -0.83 2.25 5.85 -0.53 0.29 115.31 121.73 3abm h LEU 132 Ca -0.09 0.09 0.17 0.00 0.84 0.00 0.00 57.88 58.89 3abm h LEU 132 Cb 1.38 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 42.51 3abm h LEU 132 CO 0.12 -0.16 0.35 0.78 -0.34 0.00 0.00 178.44 179.19 3abm h ASN 133 N -0.12 0.32 -0.42 1.25 2.35 -0.55 0.73 115.58 119.14 3abm h ASN 133 Ca 0.11 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3abm h ASN 133 Cb 0.28 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3abm h ASN 133 CO -0.26 0.07 0.24 0.74 -1.65 0.00 0.00 177.43 176.58 3abm h THR 134 N 0.45 1.14 -0.49 2.81 2.02 -0.27 -1.32 112.91 117.26 3abm h THR 134 Ca 0.48 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 3abm h THR 134 Cb 0.81 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3abm h THR 134 CO -0.45 0.15 0.11 0.77 0.37 0.00 0.00 175.52 176.46 3abm h SER 135 N 0.55 0.68 0.05 4.18 4.64 0.44 -1.68 113.55 122.41 3abm h SER 135 Ca 0.15 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3abm h SER 135 Cb 0.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3abm h SER 135 CO -0.03 0.68 -0.02 0.58 -0.87 0.00 0.00 176.83 177.17 3abm h VAL 136 N 0.71 1.11 -0.14 0.95 2.07 -0.63 -0.99 116.25 119.34 3abm h VAL 136 Ca 0.16 -0.54 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 3abm h VAL 136 Cb 0.28 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3abm h VAL 136 CO -0.00 0.14 -0.53 -0.07 0.02 0.00 0.00 177.57 177.13 3abm h LEU 137 N -0.31 0.43 -0.77 2.57 3.38 -1.06 -2.17 115.31 117.38 3abm h LEU 137 Ca -0.01 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3abm h LEU 137 Cb 0.28 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3abm h LEU 137 CO 0.01 0.88 0.14 -0.07 0.09 0.00 0.00 178.44 179.49 3abm h LEU 138 N 0.30 1.02 -1.29 1.67 3.38 -1.26 -1.93 115.31 117.21 3abm h LEU 138 Ca 0.01 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3abm h LEU 138 Cb 1.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3abm h LEU 138 CO 0.09 0.99 -0.11 0.00 0.09 0.00 0.00 178.44 179.51 3abm h ALA 139 N 1.13 1.41 0.00 1.53 0.00 -0.93 -0.18 119.26 122.22 3abm h ALA 139 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3abm h ALA 139 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3abm h ALA 139 CO 0.01 0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.32 3abm h SER 140 N 0.33 0.00 0.34 0.00 4.64 -0.82 -0.16 113.55 117.88 3abm h SER 140 Ca 0.07 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 3abm h SER 140 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3abm h SER 140 CO 0.02 0.00 -0.80 1.23 -0.87 0.00 0.00 176.83 176.41 3abm h GLY 141 N 3.52 0.40 0.54 -0.77 0.00 -0.30 -1.50 103.07 104.97 3abm h GLY 141 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3abm h GLY 141 CO 0.00 0.54 -0.06 -2.08 0.00 0.00 0.00 176.54 174.94 3abm h VAL 142 N 0.23 1.42 -0.81 4.60 2.07 -0.83 -3.06 116.25 119.86 3abm h VAL 142 Ca -0.04 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 3abm h VAL 142 Cb 1.39 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 33.34 3abm h VAL 142 CO 0.13 0.36 0.48 0.77 0.02 0.00 0.00 177.57 179.33 3abm h SER 143 N -0.39 0.98 0.45 0.57 4.64 -1.07 -1.32 113.55 117.41 3abm h SER 143 Ca 0.00 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 3abm h SER 143 Cb 0.62 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3abm h SER 143 CO 0.01 0.76 -0.13 -0.29 -0.87 0.00 0.00 176.83 176.31 3abm h ILE 144 N 1.12 0.55 0.08 0.95 2.10 -1.34 -0.24 117.51 120.73 3abm h ILE 144 Ca 0.29 -0.62 -0.25 0.00 1.08 0.00 0.00 64.86 65.36 3abm h ILE 144 Cb -0.03 1.41 0.02 0.00 -1.09 0.00 0.00 36.82 37.13 3abm h ILE 144 CO -0.05 0.13 -1.03 0.74 -1.08 0.00 0.00 178.15 176.85 3abm h THR 145 N 0.00 1.34 -0.14 2.19 2.02 -1.23 -1.84 112.91 115.24 3abm h THR 145 Ca -0.00 -2.35 0.05 0.00 0.77 0.00 0.00 66.41 64.87 3abm h THR 145 Cb 0.40 2.68 -0.05 0.00 -1.74 0.00 0.00 68.15 69.43 3abm h THR 145 CO 0.02 0.71 -0.21 -0.25 0.37 0.00 0.00 175.52 176.16 3abm h TRP 146 N 0.15 -0.55 -0.71 3.16 7.01 -0.88 -1.34 115.95 122.80 3abm h TRP 146 Ca -0.15 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.02 3abm h TRP 146 Cb 1.73 0.26 -0.10 0.00 -2.10 0.00 0.00 29.16 28.95 3abm h TRP 146 CO 0.13 -0.29 0.17 0.00 -2.79 0.00 0.00 178.44 175.66 3abm h ALA 147 N 0.74 0.90 0.10 2.65 0.00 -0.98 -0.97 119.26 121.70 3abm h ALA 147 Ca 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3abm h ALA 147 Cb 0.41 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3abm h ALA 147 CO -0.29 -0.32 -0.05 1.25 0.00 0.00 0.00 179.25 179.84 3abm h HIS 148 N 0.27 -0.13 -0.94 0.00 -0.00 -0.80 -1.33 115.15 112.23 3abm h HIS 148 Ca 0.39 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.79 3abm h HIS 148 Cb 0.65 0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.05 3abm h HIS 148 CO -0.26 0.01 0.62 0.45 -0.00 0.00 0.00 177.93 178.75 3abm h HIS 149 N -0.23 1.15 -0.71 5.26 -0.00 -1.09 -1.06 115.15 118.46 3abm h HIS 149 Ca -0.01 0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.47 3abm h HIS 149 Cb 0.19 -0.39 -0.07 0.00 -0.00 0.00 0.00 27.41 27.15 3abm h HIS 149 CO -0.04 0.68 0.37 0.77 -0.00 0.00 0.00 177.93 179.71 3abm h SER 150 N 1.20 0.52 -0.17 2.45 0.02 -0.77 0.18 113.55 116.97 3abm h SER 150 Ca 0.37 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 3abm h SER 150 Cb -0.02 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3abm h SER 150 CO -0.11 0.31 -0.22 0.25 -1.14 0.00 0.00 176.83 175.92 3abm h LEU 151 N 0.66 0.49 -1.34 5.07 5.85 -0.41 0.19 115.31 125.81 3abm h LEU 151 Ca 0.34 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3abm h LEU 151 Cb 0.30 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3abm h LEU 151 CO -0.24 0.90 0.45 0.24 -0.34 0.00 0.00 178.44 179.45 3abm h MET 152 N 0.10 0.88 -0.00 1.25 2.86 -0.91 -1.34 114.93 117.76 3abm h MET 152 Ca 0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3abm h MET 152 Cb 0.78 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3abm h MET 152 CO 0.05 0.58 -0.00 0.39 1.06 0.00 0.00 176.91 178.99 3abm n GLU 153 N -4.43 1.17 -0.61 1.72 1.02 0.59 -4.87 120.64 115.23 3abm n GLU 153 Ca 0.07 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3abm n GLU 153 Cb 0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3abm n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3abm n GLY 154 N 1.06 0.66 3.35 0.62 0.00 -0.51 -5.02 105.19 105.36 3abm n GLY 154 Ca 0.22 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 3abm n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abm s ASP 155 N -2.26 6.17 0.02 1.61 -1.08 0.59 -4.92 116.67 116.80 3abm s ASP 155 Ca 0.00 -1.54 -0.24 0.00 -0.52 0.00 0.00 52.55 50.25 3abm s ASP 155 Cb 0.00 -2.21 -0.17 0.00 -1.46 0.00 0.00 42.92 39.08 3abm s ASP 155 CO 0.00 -0.78 1.43 -0.09 0.52 0.00 0.00 175.17 176.25 3abm h ARG 156 N 8.85 0.07 -0.24 4.34 2.43 -1.95 -1.85 114.38 126.03 3abm h ARG 156 Ca -0.29 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.78 3abm h ARG 156 Cb 1.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3abm h ARG 156 CO 0.97 0.38 -0.15 -0.22 -1.51 0.00 0.00 179.97 179.44 3abm h LYS 157 N -0.25 0.52 0.00 0.20 3.64 -1.97 -1.76 116.57 116.96 3abm h LYS 157 Ca 0.01 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 3abm h LYS 157 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3abm h LYS 157 CO 0.00 0.81 -0.51 0.45 -2.27 0.00 0.00 179.45 177.93 3abm h HIS 158 N 0.23 0.00 -0.31 1.91 3.86 -1.96 -0.35 115.15 118.54 3abm h HIS 158 Ca 0.05 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3abm h HIS 158 Cb 0.68 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 3abm h HIS 158 CO 0.07 0.51 0.15 1.98 0.86 0.00 0.00 177.93 181.50 3abm h MET 159 N 0.00 0.30 -0.30 2.45 1.85 -1.17 0.74 114.93 118.80 3abm h MET 159 Ca -0.01 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 58.98 3abm h MET 159 Cb 0.92 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.87 3abm h MET 159 CO 0.07 0.20 -0.14 -0.07 -0.40 0.00 0.00 176.91 176.57 3abm h LEU 160 N 0.31 0.64 -0.79 3.39 3.38 -0.99 0.42 115.31 121.68 3abm h LEU 160 Ca 0.13 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3abm h LEU 160 Cb 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3abm h LEU 160 CO -0.10 0.90 0.51 -0.61 0.09 0.00 0.00 178.44 179.24 3abm h GLN 161 N 0.38 1.00 -0.13 1.13 4.15 -0.90 -0.48 115.11 120.26 3abm h GLN 161 Ca 0.07 -0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 3abm h GLN 161 Cb 0.65 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3abm h GLN 161 CO 0.04 0.66 -0.70 0.00 -1.93 0.00 0.00 178.83 176.90 3abm h ALA 162 N 1.31 0.52 -0.42 3.38 0.00 -0.58 -1.75 119.26 121.71 3abm h ALA 162 Ca 0.30 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3abm h ALA 162 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3abm h ALA 162 CO -0.09 0.72 0.12 1.25 0.00 0.00 0.00 179.25 181.25 3abm h LEU 163 N 0.41 0.63 -0.93 0.00 5.85 -0.87 -1.60 115.31 118.79 3abm h LEU 163 Ca -0.03 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.54 3abm h LEU 163 Cb 1.29 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3abm h LEU 163 CO 0.13 0.68 0.59 0.15 -0.34 0.00 0.00 178.44 179.65 3abm h PHE 164 N 0.54 1.09 -0.77 1.25 3.57 -1.00 -1.82 116.94 119.81 3abm h PHE 164 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3abm h PHE 164 Cb 0.29 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3abm h PHE 164 CO 0.02 0.56 0.45 0.82 -2.23 0.00 0.00 178.31 177.93 3abm h ILE 165 N 1.07 1.22 -0.18 1.41 2.04 -1.10 -1.53 117.51 120.44 3abm h ILE 165 Ca 0.41 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3abm h ILE 165 Cb 0.17 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3abm h ILE 165 CO -0.17 0.23 0.03 0.74 0.00 0.00 0.00 178.15 178.98 3abm h THR 166 N 1.06 1.22 -0.55 -0.27 2.02 -0.60 -1.75 112.91 114.05 3abm h THR 166 Ca 0.28 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 3abm h THR 166 Cb -0.03 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3abm h THR 166 CO -0.05 0.22 0.10 0.40 0.37 0.00 0.00 175.52 176.55 3abm h ILE 167 N 0.08 1.25 -0.58 3.11 2.04 -1.22 -0.76 117.51 121.43 3abm h ILE 167 Ca 0.05 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 65.04 3abm h ILE 167 Cb 0.30 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3abm h ILE 167 CO 0.00 0.34 0.26 0.74 0.00 0.00 0.00 178.15 179.49 3abm h THR 168 N 0.79 0.86 -0.45 -0.27 2.02 -1.14 -0.48 112.91 114.24 3abm h THR 168 Ca 0.17 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3abm h THR 168 Cb 0.40 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3abm h THR 168 CO 0.01 0.09 -0.08 -0.07 0.37 0.00 0.00 175.52 175.84 3abm h LEU 169 N 0.47 0.85 -0.68 2.58 3.38 -0.94 0.60 115.31 121.58 3abm h LEU 169 Ca 0.28 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3abm h LEU 169 Cb 0.28 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3abm h LEU 169 CO -0.24 1.00 0.37 1.23 0.09 0.00 0.00 178.44 180.89 3abm h GLY 170 N 0.69 0.99 1.41 0.83 0.00 -0.60 -0.96 103.07 105.43 3abm h GLY 170 Ca 0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3abm h GLY 170 CO 0.04 0.15 -0.37 -2.08 0.00 0.00 0.00 176.54 174.28 3abm h VAL 171 N 0.68 1.29 -0.54 4.60 2.07 -0.75 -1.12 116.25 122.47 3abm h VAL 171 Ca 0.31 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3abm h VAL 171 Cb 0.21 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3abm h VAL 171 CO -0.19 0.49 -0.03 0.22 0.02 0.00 0.00 177.57 178.08 3abm h TYR 172 N 0.55 1.03 -0.25 1.57 3.20 -0.29 -0.14 116.97 122.64 3abm h TYR 172 Ca 0.05 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 3abm h TYR 172 Cb 0.88 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3abm h TYR 172 CO 0.04 0.94 -0.01 0.35 -1.64 0.00 0.00 178.16 177.83 3abm h PHE 173 N 0.86 0.49 -0.83 -3.82 3.57 -0.91 0.53 116.94 116.83 3abm h PHE 173 Ca 0.15 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.62 3abm h PHE 173 Cb 0.55 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3abm h PHE 173 CO 0.03 0.62 0.54 1.15 -2.23 0.00 0.00 178.31 178.43 3abm h THR 174 N 0.21 1.08 0.00 4.41 2.02 -0.72 0.15 112.91 120.06 3abm h THR 174 Ca 0.07 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.73 3abm h THR 174 Cb 0.44 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3abm h THR 174 CO 0.02 0.17 -0.94 -0.07 0.37 0.00 0.00 175.52 175.07 3abm h LEU 175 N 0.95 0.00 -0.35 2.58 3.38 -0.13 -1.95 115.31 119.79 3abm h LEU 175 Ca 0.35 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.12 3abm h LEU 175 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3abm h LEU 175 CO -0.12 0.90 -0.72 -0.07 0.09 0.00 0.00 178.44 178.52 3abm h LEU 176 N 0.00 0.62 -0.54 1.67 3.38 -0.33 -1.99 115.31 118.12 3abm h LEU 176 Ca -0.02 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 3abm h LEU 176 Cb 1.71 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 3abm h LEU 176 CO 0.11 1.15 -0.72 -0.61 0.09 0.00 0.00 178.44 178.46 3abm h GLN 177 N 0.37 0.05 -0.33 1.13 5.75 -0.60 -1.71 115.11 119.77 3abm h GLN 177 Ca -0.03 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.32 3abm h GLN 177 Cb 1.31 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 3abm h GLN 177 CO 0.13 0.75 -0.17 0.00 -2.65 0.00 0.00 178.83 176.89 3abm h ALA 178 N 1.23 0.46 -0.43 3.38 0.00 -1.18 -0.95 119.26 121.77 3abm h ALA 178 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3abm h ALA 178 Cb 1.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3abm h ALA 178 CO 0.10 0.38 0.24 1.03 0.00 0.00 0.00 179.25 181.01 3abm h SER 179 N 0.46 0.52 -0.74 0.00 0.87 -1.33 -2.02 113.55 111.31 3abm h SER 179 Ca 0.07 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3abm h SER 179 Cb 0.71 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 3abm h SER 179 CO 0.05 0.44 0.42 -0.33 -0.53 0.00 0.00 176.83 176.88 3abm h GLU 180 N 0.56 1.04 0.17 2.24 4.39 -1.23 -0.18 114.58 121.58 3abm h GLU 180 Ca 0.15 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.75 3abm h GLU 180 Cb 0.03 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 3abm h GLU 180 CO -0.03 0.75 -0.23 1.88 -1.16 0.00 0.00 179.01 180.22 3abm h TYR 181 N 1.05 -0.62 -0.72 4.33 -1.99 -0.96 -0.15 116.97 117.91 3abm h TYR 181 Ca 0.27 0.01 0.11 0.00 2.00 0.00 0.00 58.73 61.12 3abm h TYR 181 Cb 0.01 0.25 -0.08 0.00 2.00 0.00 0.00 36.73 38.91 3abm h TYR 181 CO 0.01 -0.34 0.32 -0.92 -0.00 0.00 0.00 178.16 177.23 3abm h TYR 182 N -0.47 0.57 0.00 4.88 5.03 -1.10 -2.77 116.97 123.12 3abm h TYR 182 Ca 0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3abm h TYR 182 Cb 0.46 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.59 3abm h TYR 182 CO -0.19 0.15 0.00 0.93 -1.32 0.00 0.00 178.16 177.73 3abm h GLU 183 N 0.52 0.00 -6.67 1.82 4.39 -0.90 -3.46 114.58 110.28 3abm h GLU 183 Ca 0.37 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.54 3abm h GLU 183 Cb 0.48 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.19 3abm h GLU 183 CO -0.33 0.00 0.96 0.00 -1.16 0.00 0.00 179.01 178.49 3abm n ALA 184 N -1.89 2.65 0.52 3.43 0.00 -0.08 -4.86 120.51 120.28 3abm n ALA 184 Ca 0.05 0.40 0.13 0.00 0.00 0.00 0.00 53.44 54.01 3abm n ALA 184 Cb 0.44 -2.50 0.44 0.00 0.00 0.00 0.00 19.45 17.83 3abm n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3abm n PRO 185 N 3.50 0.25 -3.76 0.00 -0.04 -1.26 -4.81 135.00 128.87 3abm n PRO 185 Ca 0.14 0.31 -0.21 0.00 -0.04 0.00 0.00 63.50 63.70 3abm n PRO 185 Cb 0.35 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3abm n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3abm s PHE 186 N -3.20 3.02 0.35 0.54 -0.12 -1.26 -5.04 117.98 112.28 3abm s PHE 186 Ca 0.08 -0.24 0.04 0.00 -0.05 0.00 0.00 56.93 56.76 3abm s PHE 186 Cb 0.11 -1.79 -0.04 0.00 -0.63 0.00 0.00 43.02 40.67 3abm s PHE 186 CO 0.52 0.19 0.13 0.95 -0.05 0.00 0.00 175.22 176.96 3abm s THR 187 N -2.23 0.56 -0.59 -4.49 -4.23 -1.26 -4.99 115.64 98.41 3abm s THR 187 Ca 0.41 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.11 3abm s THR 187 Cb -0.07 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.47 3abm s THR 187 CO 0.28 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.95 3abm n ILE 188 N -0.73 1.00 1.07 2.99 3.06 -1.26 -1.98 119.36 123.49 3abm n ILE 188 Ca -0.02 0.34 0.12 0.00 -2.50 0.00 0.00 62.75 60.69 3abm n ILE 188 Cb 0.65 -1.25 0.26 0.00 0.54 0.00 0.00 39.64 39.84 3abm n ILE 188 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3abm n SER 189 N -2.02 2.54 -3.31 9.51 3.41 -1.26 -3.66 113.62 118.84 3abm n SER 189 Ca 0.02 -1.84 -0.38 0.00 -0.26 0.00 0.00 58.87 56.41 3abm n SER 189 Cb 0.17 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3abm n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3abm n ASP 190 N 0.96 8.45 -0.10 4.04 8.00 -0.84 -4.95 116.55 132.11 3abm n ASP 190 Ca 0.16 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.93 3abm n ASP 190 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3abm n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3abm n GLY 191 N 3.01 -0.99 0.23 0.44 0.00 -1.26 -2.26 105.19 104.35 3abm n GLY 191 Ca 0.73 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3abm n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3abm h VAL 192 N 0.00 0.32 0.05 1.61 3.04 -1.92 -1.25 116.25 118.11 3abm h VAL 192 Ca 0.00 -1.05 -0.00 0.00 -1.01 0.00 0.00 66.70 64.64 3abm h VAL 192 Cb 0.00 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3abm h VAL 192 CO 0.00 0.15 -0.02 0.22 -1.01 0.00 0.00 177.57 176.90 3abm h TYR 193 N 0.00 -0.06 -0.87 3.17 3.20 -1.96 0.32 116.97 120.76 3abm h TYR 193 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3abm h TYR 193 Cb 0.80 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 3abm h TYR 193 CO 0.00 0.26 0.46 0.78 -1.64 0.00 0.00 178.16 178.02 3abm h GLY 194 N -0.39 1.31 0.99 1.82 0.00 -1.29 -1.62 103.07 103.89 3abm h GLY 194 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 3abm h GLY 194 CO 0.01 0.58 -0.34 1.76 0.00 0.00 0.00 176.54 178.55 3abm h SER 195 N 1.22 -0.81 -0.40 0.19 0.02 -1.00 -0.73 113.55 112.05 3abm h SER 195 Ca 0.30 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 3abm h SER 195 Cb 0.05 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3abm h SER 195 CO -0.05 -0.57 0.05 0.71 -1.14 0.00 0.00 176.83 175.84 3abm h THR 196 N -0.99 1.25 0.27 -2.27 1.35 -0.90 -2.04 112.91 109.58 3abm h THR 196 Ca -0.10 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3abm h THR 196 Cb 0.74 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 3abm h THR 196 CO 0.16 0.31 -0.28 0.15 -0.25 0.00 0.00 175.52 175.61 3abm h PHE 197 N 0.52 -0.76 0.11 4.73 3.57 -1.22 -2.15 116.94 121.73 3abm h PHE 197 Ca 0.12 0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.34 3abm h PHE 197 Cb 0.39 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3abm h PHE 197 CO 0.03 -0.41 -1.37 0.74 -2.23 0.00 0.00 178.31 175.07 3abm h PHE 198 N -0.59 0.41 -0.01 0.41 -1.00 -1.09 -1.64 116.94 113.43 3abm h PHE 198 Ca -0.01 -0.30 -0.15 0.00 2.81 0.00 0.00 57.97 60.32 3abm h PHE 198 Cb 0.55 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 3abm h PHE 198 CO -0.18 1.29 -0.69 0.28 -1.61 0.00 0.00 178.31 177.40 3abm h VAL 199 N 0.06 1.47 0.05 -0.55 2.07 -1.45 0.62 116.25 118.52 3abm h VAL 199 Ca -0.18 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.04 3abm h VAL 199 Cb 1.98 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 3abm h VAL 199 CO 0.17 0.66 -0.02 0.00 0.02 0.00 0.00 177.57 178.40 3abm h ALA 200 N 1.25 -0.07 0.00 1.67 0.00 -1.43 -2.01 119.26 118.67 3abm h ALA 200 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3abm h ALA 200 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3abm h ALA 200 CO 0.10 -0.17 -0.13 1.79 0.00 0.00 0.00 179.25 180.84 3abm h THR 201 N -0.81 0.39 0.14 0.00 1.35 -1.43 -2.45 112.91 110.10 3abm h THR 201 Ca -0.01 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3abm h THR 201 Cb 0.65 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3abm h THR 201 CO 0.01 0.12 -0.07 1.23 -0.25 0.00 0.00 175.52 176.57 3abm h GLY 202 N 1.54 -0.19 0.72 5.82 0.00 -0.90 0.82 103.07 110.88 3abm h GLY 202 Ca -0.00 0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.52 3abm h GLY 202 CO 0.02 -0.07 0.53 0.74 0.00 0.00 0.00 176.54 177.76 3abm h PHE 203 N -0.87 0.76 -0.81 5.60 0.04 -1.43 0.96 116.94 121.19 3abm h PHE 203 Ca -0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3abm h PHE 203 Cb 0.53 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3abm h PHE 203 CO 0.10 0.33 0.40 1.25 -0.60 0.00 0.00 178.31 179.79 3abm h HIS 204 N 0.69 1.16 -0.29 -0.55 2.76 -1.31 -1.51 115.15 116.10 3abm h HIS 204 Ca 0.39 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 3abm h HIS 204 Cb 0.57 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3abm h HIS 204 CO -0.00 0.83 0.16 0.78 -1.30 0.00 0.00 177.93 178.40 3abm h GLY 205 N 1.15 0.43 -0.02 5.26 0.00 0.59 0.16 103.07 110.64 3abm h GLY 205 Ca 0.28 -0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.50 3abm h GLY 205 CO -0.04 0.19 -0.21 -2.00 0.00 0.00 0.00 176.54 174.48 3abm h LEU 206 N 0.35 -0.71 -1.37 3.11 5.85 -0.73 -0.80 115.31 121.00 3abm h LEU 206 Ca 0.10 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3abm h LEU 206 Cb 0.07 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3abm h LEU 206 CO -0.02 -0.24 0.26 0.45 -0.34 0.00 0.00 178.44 178.55 3abm h HIS 207 N -0.13 0.67 -0.57 1.25 3.86 -0.08 -0.17 115.15 119.98 3abm h HIS 207 Ca 0.20 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 3abm h HIS 207 Cb 0.44 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3abm h HIS 207 CO -0.45 0.48 0.09 0.28 0.86 0.00 0.00 177.93 179.19 3abm h VAL 208 N 0.69 1.24 -0.19 2.45 2.07 -0.10 0.14 116.25 122.56 3abm h VAL 208 Ca 0.18 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.58 3abm h VAL 208 Cb 0.04 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3abm h VAL 208 CO -0.03 0.35 -0.59 0.40 0.02 0.00 0.00 177.57 177.71 3abm h ILE 209 N 0.86 1.30 -0.69 4.57 2.04 -0.45 0.21 117.51 125.36 3abm h ILE 209 Ca 0.18 -1.81 0.08 0.00 1.00 0.00 0.00 64.86 64.30 3abm h ILE 209 Cb 0.38 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.31 3abm h ILE 209 CO 0.01 0.57 0.36 0.40 0.00 0.00 0.00 178.15 179.49 3abm h ILE 210 N 0.45 0.90 -0.15 -0.67 2.04 -0.91 -1.32 117.51 117.85 3abm h ILE 210 Ca -0.02 -0.22 -0.20 0.00 1.00 0.00 0.00 64.86 65.42 3abm h ILE 210 Cb 1.22 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3abm h ILE 210 CO 0.13 0.12 -0.71 1.23 0.00 0.00 0.00 178.15 178.91 3abm h GLY 211 N 0.64 0.73 0.89 5.37 0.00 -0.47 -1.91 103.07 108.31 3abm h GLY 211 Ca 0.32 -0.99 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 3abm h GLY 211 CO -0.23 0.88 -0.01 1.76 0.00 0.00 0.00 176.54 178.95 3abm h SER 212 N 0.47 -0.02 -0.85 0.19 0.02 -0.42 -0.86 113.55 112.08 3abm h SER 212 Ca -0.03 -0.10 0.22 0.00 -0.84 0.00 0.00 61.79 61.03 3abm h SER 212 Cb 1.32 0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.73 3abm h SER 212 CO 0.14 0.09 0.21 0.74 -1.14 0.00 0.00 176.83 176.87 3abm h THR 213 N -0.14 0.35 -0.40 -2.27 2.02 -1.13 -0.37 112.91 110.97 3abm h THR 213 Ca -0.00 -0.07 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 3abm h THR 213 Cb 0.13 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3abm h THR 213 CO 0.00 0.04 -0.24 0.15 0.37 0.00 0.00 175.52 175.84 3abm h PHE 214 N 0.21 1.02 -0.98 3.16 3.04 -1.05 0.12 116.94 122.47 3abm h PHE 214 Ca 0.52 -0.27 0.03 0.00 3.98 0.00 0.00 57.97 62.23 3abm h PHE 214 Cb 1.01 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.23 3abm h PHE 214 CO -0.28 1.06 0.64 -0.07 -2.02 0.00 0.00 178.31 177.64 3abm h LEU 215 N 0.69 1.09 -0.57 0.59 3.38 -0.03 -1.54 115.31 118.92 3abm h LEU 215 Ca 0.08 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3abm h LEU 215 Cb 0.81 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3abm h LEU 215 CO 0.07 0.76 0.05 0.40 0.09 0.00 0.00 178.44 179.81 3abm h ILE 216 N 1.27 1.26 -0.45 1.22 2.04 -0.36 0.41 117.51 122.89 3abm h ILE 216 Ca 0.38 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3abm h ILE 216 Cb -0.05 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3abm h ILE 216 CO -0.11 0.38 0.20 0.58 0.00 0.00 0.00 178.15 179.21 3abm h VAL 217 N 0.86 0.93 -0.15 1.67 2.07 -0.43 -1.75 116.25 119.45 3abm h VAL 217 Ca 0.17 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 3abm h VAL 217 Cb 0.48 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3abm h VAL 217 CO 0.02 0.07 -0.22 0.00 0.02 0.00 0.00 177.57 177.47 3abm h PHE 219 N 0.24 0.36 -0.12 0.00 3.57 -0.09 0.30 116.94 121.20 3abm h PHE 219 Ca 0.04 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.32 3abm h PHE 219 Cb 0.52 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.15 3abm h PHE 219 CO 0.01 0.23 -0.83 0.74 -2.23 0.00 0.00 178.31 176.23 3abm h PHE 220 N 0.39 1.08 -0.98 0.41 0.04 -1.03 0.15 116.94 117.00 3abm h PHE 220 Ca 0.11 -0.50 0.01 0.00 2.80 0.00 0.00 57.97 60.39 3abm h PHE 220 Cb -0.04 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 3abm h PHE 220 CO -0.06 1.33 0.65 0.00 -0.60 0.00 0.00 178.31 179.63 3abm h ARG 221 N 0.51 1.28 -0.72 1.51 3.08 -1.15 -1.77 114.38 117.12 3abm h ARG 221 Ca -0.07 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3abm h ARG 221 Cb 1.47 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 3abm h ARG 221 CO 0.17 0.84 0.26 0.37 -1.07 0.00 0.00 179.97 180.54 3abm h GLN 222 N 1.31 1.09 -0.89 0.04 5.75 0.06 -0.99 115.11 121.48 3abm h GLN 222 Ca 0.36 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3abm h GLN 222 Cb -0.13 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.20 3abm h GLN 222 CO -0.08 0.91 0.54 -0.07 -2.65 0.00 0.00 178.83 177.48 3abm h LEU 223 N 1.06 1.06 -0.59 -2.39 3.38 -0.31 -1.16 115.31 116.37 3abm h LEU 223 Ca 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3abm h LEU 223 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3abm h LEU 223 CO -0.01 0.81 0.00 0.29 0.09 0.00 0.00 178.44 179.62 3abm n LYS 224 N -4.36 1.35 -1.22 1.13 5.02 -0.70 -4.93 118.16 114.43 3abm n LYS 224 Ca 0.10 -0.48 -0.08 0.00 -2.02 0.00 0.00 58.31 55.83 3abm n LYS 224 Cb 0.06 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3abm n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3abm n PHE 225 N -0.09 0.00 0.04 2.13 3.01 -0.44 -4.91 117.46 117.20 3abm n PHE 225 Ca 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.49 3abm n PHE 225 Cb 0.14 -1.68 0.25 0.00 -0.01 0.00 0.00 39.48 38.19 3abm n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3abm h HIS 226 N 0.00 0.46 -3.48 1.38 3.86 -1.42 -3.44 115.15 112.50 3abm h HIS 226 Ca -0.16 -0.08 -0.53 0.00 -1.16 0.00 0.00 60.37 58.44 3abm h HIS 226 Cb 0.59 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 3abm h HIS 226 CO 0.28 0.60 0.11 -0.06 0.86 0.00 0.00 177.93 179.71 3abm s PHE 227 N -4.57 3.78 0.27 2.45 0.08 -1.26 -4.96 117.98 113.76 3abm s PHE 227 Ca -0.06 1.46 0.06 0.00 0.12 0.00 0.00 56.93 58.50 3abm s PHE 227 Cb 0.14 -2.65 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3abm s PHE 227 CO 0.77 0.46 0.38 0.95 -0.10 0.00 0.00 175.22 177.68 3abm s THR 228 N -1.30 4.88 -0.74 0.64 -4.23 -0.56 -4.96 115.64 109.37 3abm s THR 228 Ca 0.37 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.96 3abm s THR 228 Cb -0.20 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.02 3abm s THR 228 CO 0.23 -0.28 1.28 -1.54 -0.54 0.00 0.00 174.62 173.76 3abm n SER 229 N -1.46 0.20 0.00 3.99 3.41 -1.26 -2.70 113.62 115.80 3abm n SER 229 Ca -0.06 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3abm n SER 229 Cb 0.57 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3abm n SER 229 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3abm n ASN 230 N -1.76 4.32 -3.83 4.04 2.85 -1.26 -4.15 115.26 115.47 3abm n ASN 230 Ca 0.00 -0.04 -0.29 0.00 -0.11 0.00 0.00 54.58 54.14 3abm n ASN 230 Cb 0.04 0.94 -0.16 0.00 1.24 0.00 0.00 39.78 41.84 3abm n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3abm s HIS 231 N -1.80 1.88 -0.40 1.20 2.46 -1.10 -4.94 115.29 112.60 3abm s HIS 231 Ca 0.00 -1.53 0.06 0.00 0.47 0.00 0.00 55.06 54.06 3abm s HIS 231 Cb 0.00 -1.51 0.31 0.00 -0.13 0.00 0.00 32.58 31.25 3abm s HIS 231 CO 0.00 -0.75 1.23 -2.39 -2.47 0.00 0.00 174.74 170.36 3abm n HIS 232 N 4.81 -2.05 0.04 3.88 1.44 -1.26 -1.50 115.22 120.57 3abm n HIS 232 Ca -0.08 -1.67 -0.03 0.00 -2.01 0.00 0.00 57.72 53.94 3abm n HIS 232 Cb 0.44 1.50 0.22 0.00 0.12 0.00 0.00 29.99 32.28 3abm n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3abm h PHE 233 N 2.30 0.47 -1.00 -1.40 3.04 -1.96 -0.38 116.94 118.01 3abm h PHE 233 Ca -0.26 -0.10 0.12 0.00 3.98 0.00 0.00 57.97 61.72 3abm h PHE 233 Cb 1.20 -0.12 -0.08 0.00 2.56 0.00 0.00 35.95 39.51 3abm h PHE 233 CO 0.14 0.65 0.62 0.78 -2.02 0.00 0.00 178.31 178.49 3abm h GLY 234 N 1.02 1.63 1.07 2.40 0.00 -1.99 0.51 103.07 107.70 3abm h GLY 234 Ca 0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 3abm h GLY 234 CO 0.05 0.16 -0.49 -2.75 0.00 0.00 0.00 176.54 173.51 3abm h PHE 235 N 0.98 0.98 -0.43 5.60 3.57 -1.51 -2.20 116.94 123.94 3abm h PHE 235 Ca 0.49 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 3abm h PHE 235 Cb 0.49 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3abm h PHE 235 CO -0.01 1.16 0.26 0.93 -2.23 0.00 0.00 178.31 178.42 3abm h GLU 236 N 0.53 0.58 -0.86 1.11 5.08 -0.49 -0.76 114.58 119.77 3abm h GLU 236 Ca 0.01 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3abm h GLU 236 Cb 1.10 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3abm h GLU 236 CO 0.11 0.42 0.56 0.00 -1.00 0.00 0.00 179.01 179.09 3abm h ALA 237 N 1.13 1.12 -0.03 3.43 0.00 -0.93 0.08 119.26 124.06 3abm h ALA 237 Ca 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3abm h ALA 237 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3abm h ALA 237 CO -0.03 0.42 -0.57 0.00 0.00 0.00 0.00 179.25 179.06 3abm h ALA 238 N 1.35 0.99 -0.00 0.00 0.00 -1.15 0.15 119.26 120.59 3abm h ALA 238 Ca 0.34 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 3abm h ALA 238 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3abm h ALA 238 CO -0.10 0.72 -0.99 0.00 0.00 0.00 0.00 179.25 178.87 3abm h ALA 239 N 1.35 0.24 -0.02 0.00 0.00 -0.89 -1.25 119.26 118.69 3abm h ALA 239 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3abm h ALA 239 Cb 1.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3abm h ALA 239 CO 0.08 0.74 0.01 -1.49 0.00 0.00 0.00 179.25 178.60 3abm h TRP 240 N 0.33 0.03 -0.65 0.00 6.55 -0.52 -0.63 115.95 121.07 3abm h TRP 240 Ca -0.11 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.75 3abm h TRP 240 Cb 1.64 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 29.89 3abm h TRP 240 CO 0.08 0.05 0.43 -0.92 -1.05 0.00 0.00 178.44 177.03 3abm h TYR 241 N 0.01 0.79 -0.53 0.49 3.20 -0.73 -1.66 116.97 118.54 3abm h TYR 241 Ca 0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3abm h TYR 241 Cb 0.02 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3abm h TYR 241 CO -0.07 0.49 0.17 2.35 -1.64 0.00 0.00 178.16 179.46 3abm h TRP 242 N 0.84 0.85 -0.45 -3.82 2.91 -0.88 -1.21 115.95 114.18 3abm h TRP 242 Ca 0.25 -0.08 -0.13 0.00 1.13 0.00 0.00 58.89 60.05 3abm h TRP 242 Cb -0.04 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.35 3abm h TRP 242 CO -0.00 0.72 -0.24 0.45 -1.03 0.00 0.00 178.44 178.34 3abm h HIS 243 N 0.73 1.12 -0.37 2.65 3.86 -0.77 -2.05 115.15 120.32 3abm h HIS 243 Ca 0.17 -0.28 0.08 0.00 -1.16 0.00 0.00 60.37 59.18 3abm h HIS 243 Cb 0.27 -0.26 -0.09 0.00 1.06 0.00 0.00 27.41 28.39 3abm h HIS 243 CO 0.01 1.10 -0.30 0.35 0.86 0.00 0.00 177.93 179.96 3abm h PHE 244 N 0.81 -0.81 -0.99 2.45 3.04 -1.09 0.11 116.94 120.46 3abm h PHE 244 Ca 0.10 0.05 0.14 0.00 3.98 0.00 0.00 57.97 62.24 3abm h PHE 244 Cb 0.82 0.41 -0.09 0.00 2.56 0.00 0.00 35.95 39.65 3abm h PHE 244 CO 0.06 -0.36 0.62 0.28 -2.02 0.00 0.00 178.31 176.88 3abm h VAL 245 N -0.24 0.85 -0.19 1.41 2.07 -1.07 0.37 116.25 119.46 3abm h VAL 245 Ca 0.17 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 3abm h VAL 245 Cb 0.52 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3abm h VAL 245 CO -0.51 0.16 -0.50 -0.78 0.02 0.00 0.00 177.57 175.96 3abm h ASP 246 N 0.89 0.76 -0.36 0.57 3.58 -0.92 -1.79 116.42 119.15 3abm h ASP 246 Ca 0.51 -0.58 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 3abm h ASP 246 Cb 0.63 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3abm h ASP 246 CO -0.28 1.21 -0.00 0.58 -2.88 0.00 0.00 179.24 177.86 3abm h VAL 247 N 0.36 1.26 -0.78 2.25 2.07 0.17 -1.03 116.25 120.55 3abm h VAL 247 Ca -0.01 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3abm h VAL 247 Cb 1.12 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3abm h VAL 247 CO 0.11 0.33 0.51 0.58 0.02 0.00 0.00 177.57 179.12 3abm h VAL 248 N 0.45 1.13 -0.61 2.57 2.07 -0.97 -0.97 116.25 119.91 3abm h VAL 248 Ca 0.10 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3abm h VAL 248 Cb 0.47 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3abm h VAL 248 CO 0.02 0.18 0.38 -0.25 0.02 0.00 0.00 177.57 177.91 3abm h TRP 249 N 0.96 0.70 -0.76 1.57 2.91 -0.69 -1.75 115.95 118.89 3abm h TRP 249 Ca 0.31 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.30 3abm h TRP 249 Cb 0.03 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.42 3abm h TRP 249 CO -0.00 0.40 0.30 -0.07 -1.03 0.00 0.00 178.44 178.04 3abm h LEU 250 N 0.74 1.05 -1.19 0.65 3.38 0.11 0.29 115.31 120.34 3abm h LEU 250 Ca 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3abm h LEU 250 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3abm h LEU 250 CO -0.10 0.94 -0.08 -0.26 0.09 0.00 0.00 178.44 179.03 3abm h PHE 251 N 1.10 0.49 -0.23 1.13 -1.00 -1.30 -1.84 116.94 115.30 3abm h PHE 251 Ca 0.25 -0.06 -0.08 0.00 2.81 0.00 0.00 57.97 60.89 3abm h PHE 251 Cb 0.22 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 3abm h PHE 251 CO 0.02 0.54 -0.19 -0.07 -1.61 0.00 0.00 178.31 177.01 3abm h LEU 252 N 0.44 0.57 0.42 1.54 3.38 -0.37 -0.42 115.31 120.87 3abm h LEU 252 Ca 0.09 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3abm h LEU 252 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3abm h LEU 252 CO 0.02 0.90 -0.21 0.22 0.09 0.00 0.00 178.44 179.46 3abm h TYR 253 N 0.24 -0.55 -0.76 1.13 3.20 -0.35 0.25 116.97 120.13 3abm h TYR 253 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3abm h TYR 253 Cb 0.72 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3abm h TYR 253 CO 0.07 -0.34 0.42 0.28 -1.64 0.00 0.00 178.16 176.95 3abm h VAL 254 N -0.58 1.22 0.01 1.81 2.07 -1.37 -0.03 116.25 119.37 3abm h VAL 254 Ca -0.06 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3abm h VAL 254 Cb 0.45 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3abm h VAL 254 CO 0.09 0.25 -0.00 0.28 0.02 0.00 0.00 177.57 178.20 3abm h SER 255 N 1.06 -0.01 0.03 0.57 0.02 -0.83 0.14 113.55 114.52 3abm h SER 255 Ca 0.27 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 3abm h SER 255 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3abm h SER 255 CO -0.04 0.37 -0.66 0.40 -1.14 0.00 0.00 176.83 175.76 3abm h ILE 256 N -0.77 1.39 0.05 3.27 2.04 -0.69 -0.42 117.51 122.39 3abm h ILE 256 Ca -0.00 -2.32 -0.25 0.00 1.00 0.00 0.00 64.86 63.29 3abm h ILE 256 Cb 0.01 2.91 0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3abm h ILE 256 CO 0.00 0.53 -1.07 1.88 0.00 0.00 0.00 178.15 179.50 3abm h TYR 257 N -0.86 0.73 0.00 1.37 0.05 -1.19 -3.23 116.97 113.85 3abm h TYR 257 Ca -0.16 -0.43 0.00 0.00 0.05 0.00 0.00 58.73 58.18 3abm h TYR 257 Cb 1.25 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3abm h TYR 257 CO 0.19 1.27 0.00 1.87 -1.05 0.00 0.00 178.16 180.45 3abm n TRP 258 N -3.73 0.00 -0.07 4.88 -0.00 -0.05 -4.11 117.44 114.36 3abm n TRP 258 Ca -0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.51 3abm n TRP 258 Cb 0.90 -0.05 0.48 0.00 -0.00 0.00 0.00 31.31 32.65 3abm n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3abm h TRP 259 N 0.00 0.47 -0.22 5.87 7.01 -1.04 -2.09 115.95 125.94 3abm h TRP 259 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3abm h TRP 259 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3abm h TRP 259 CO 0.00 0.24 0.00 0.41 -2.79 0.00 0.00 178.44 176.30 3abm n GLY 260 N -1.51 0.09 0.94 2.65 0.00 -0.17 -5.01 105.19 102.19 3abm n GLY 260 Ca 0.09 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3abm n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18