#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk s GLN 4 N 0.00 4.02 -0.20 1.57 -2.07 -1.26 -4.97 119.66 116.75 3abk s GLN 4 Ca 0.00 1.22 0.12 0.00 -1.82 0.00 0.00 55.36 54.89 3abk s GLN 4 Cb 0.00 -2.14 0.43 0.00 -1.09 0.00 0.00 33.01 30.21 3abk s GLN 4 CO 0.00 -0.22 1.21 0.25 -1.32 0.00 0.00 175.29 175.21 3abk n THR 5 N -0.82 1.97 -3.78 3.63 -2.24 -1.26 -5.00 114.28 106.79 3abk n THR 5 Ca 0.08 -3.13 -0.22 0.00 -2.27 0.00 0.00 64.05 58.51 3abk n THR 5 Cb 0.53 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 3abk n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3abk s HIS 6 N -2.92 2.67 -2.21 4.78 0.00 -1.26 -5.06 115.29 111.29 3abk s HIS 6 Ca 0.39 -0.52 0.19 0.00 -3.00 0.00 0.00 55.06 52.12 3abk s HIS 6 Cb 0.38 -2.09 0.53 0.00 -4.00 0.00 0.00 32.58 27.40 3abk s HIS 6 CO -0.06 0.00 1.44 0.00 -1.00 0.00 0.00 174.74 175.11 3abk n ALA 7 N -1.43 2.44 -2.20 -1.38 0.00 -1.26 -5.00 120.51 111.69 3abk n ALA 7 Ca 0.02 -0.84 -0.26 0.00 0.00 0.00 0.00 53.44 52.36 3abk n ALA 7 Cb 0.63 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 19.13 3abk n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3abk s TYR 8 N -1.48 3.33 -0.33 0.00 2.02 -1.26 -4.52 117.35 115.12 3abk s TYR 8 Ca 0.36 0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 57.52 3abk s TYR 8 Cb 0.19 -2.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 3abk s TYR 8 CO 0.27 -0.56 0.21 -1.58 -1.57 0.00 0.00 175.55 172.32 3abk s HIS 9 N -2.81 3.21 -0.33 2.71 5.65 -1.26 -5.04 115.29 117.42 3abk s HIS 9 Ca 0.51 -0.30 -0.27 0.00 0.25 0.00 0.00 55.06 55.24 3abk s HIS 9 Cb -0.10 -2.43 0.01 0.00 -1.18 0.00 0.00 32.58 28.88 3abk s HIS 9 CO 0.43 -0.37 1.00 -1.64 -0.65 0.00 0.00 174.74 173.50 3abk s MET 10 N 1.69 4.00 0.17 2.88 -1.94 -1.26 -5.05 119.30 119.79 3abk s MET 10 Ca 0.06 0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 54.75 3abk s MET 10 Cb -0.17 -3.75 -0.08 0.00 2.01 0.00 0.00 34.83 32.84 3abk s MET 10 CO 0.09 -0.88 0.64 0.08 -0.01 0.00 0.00 175.02 174.94 3abk s VAL 11 N 3.51 4.70 0.53 -6.03 1.01 -1.26 -5.03 120.40 117.83 3abk s VAL 11 Ca 0.42 1.10 -0.22 0.00 0.00 0.00 0.00 61.98 63.28 3abk s VAL 11 Cb -0.12 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3abk s VAL 11 CO 0.16 0.27 1.32 0.20 0.00 0.00 0.00 175.10 177.04 3abk s ASN 12 N -1.60 5.43 0.21 3.32 0.02 -1.26 -4.89 114.94 116.16 3abk s ASN 12 Ca 0.39 2.67 -0.31 0.00 -1.02 0.00 0.00 52.86 54.59 3abk s ASN 12 Cb -0.16 -2.63 -0.15 0.00 0.02 0.00 0.00 41.25 38.33 3abk s ASN 12 CO 0.20 -1.46 1.10 -2.65 0.02 0.00 0.00 177.10 174.32 3abk n PRO 13 N -0.95 1.20 -3.91 -0.60 -0.02 -1.26 -4.98 135.00 124.47 3abk n PRO 13 Ca 0.10 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3abk n PRO 13 Cb 0.46 -1.87 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 3abk n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3abk s SER 14 N -0.19 0.09 0.00 2.55 0.15 -1.26 -5.05 113.70 109.99 3abk s SER 14 Ca 0.68 -0.19 0.29 0.00 0.70 0.00 0.00 55.95 57.43 3abk s SER 14 Cb -0.81 0.06 1.30 0.00 -1.71 0.00 0.00 66.02 64.86 3abk s SER 14 CO 0.54 -0.13 1.89 -0.81 1.20 0.00 0.00 173.24 175.94 3abk n PRO 15 N 2.45 0.91 0.11 5.44 -0.04 -1.26 -4.44 135.00 138.17 3abk n PRO 15 Ca -0.17 -0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 62.78 3abk n PRO 15 Cb 0.58 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 3abk n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3abk h TRP 16 N 0.80 0.64 -0.68 0.54 -0.00 -1.96 -0.96 115.95 114.33 3abk h TRP 16 Ca 0.00 -0.45 0.13 0.00 -0.00 0.00 0.00 58.89 58.57 3abk h TRP 16 Cb 0.33 -0.03 -0.10 0.00 -0.00 0.00 0.00 29.16 29.36 3abk h TRP 16 CO 0.00 1.35 0.17 -1.35 -0.00 0.00 0.00 178.44 178.61 3abk h PRO 17 N 0.11 0.29 -0.22 0.49 0.11 -1.98 0.30 132.00 131.10 3abk h PRO 17 Ca -0.16 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.83 3abk h PRO 17 Cb 1.99 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 33.03 3abk h PRO 17 CO 0.22 0.19 -0.25 1.25 -0.21 0.00 0.00 178.00 179.20 3abk h LEU 18 N 0.30 0.60 -1.01 2.35 5.85 -1.79 -0.76 115.31 120.85 3abk h LEU 18 Ca 0.37 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 3abk h LEU 18 Cb 0.58 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3abk h LEU 18 CO -0.44 0.97 0.06 0.71 -0.34 0.00 0.00 178.44 179.40 3abk h THR 19 N 0.24 1.23 -0.20 1.05 1.35 -0.92 0.74 112.91 116.39 3abk h THR 19 Ca 0.03 -0.89 -0.03 0.00 -0.55 0.00 0.00 66.41 64.97 3abk h THR 19 Cb 0.82 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 3abk h THR 19 CO 0.06 0.32 0.00 1.23 -0.25 0.00 0.00 175.52 176.88 3abk h GLY 20 N 0.96 0.38 0.52 5.82 0.00 -0.32 0.22 103.07 110.65 3abk h GLY 20 Ca 0.15 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.27 3abk h GLY 20 CO 0.01 0.26 0.14 0.00 0.00 0.00 0.00 176.54 176.95 3abk h ALA 21 N 0.79 0.55 -0.26 3.60 0.00 -0.97 -0.68 119.26 122.30 3abk h ALA 21 Ca 0.06 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3abk h ALA 21 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3abk h ALA 21 CO 0.01 -0.25 -0.28 -0.07 0.00 0.00 0.00 179.25 178.66 3abk h LEU 22 N 0.30 0.52 -1.29 0.00 3.38 -0.76 -1.86 115.31 115.60 3abk h LEU 22 Ca 0.22 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3abk h LEU 22 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3abk h LEU 22 CO -0.25 0.78 -0.25 0.77 0.09 0.00 0.00 178.44 179.59 3abk h SER 23 N 0.45 0.16 -0.10 -0.43 4.64 -0.14 -1.13 113.55 116.99 3abk h SER 23 Ca 0.06 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3abk h SER 23 Cb 0.72 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3abk h SER 23 CO 0.05 0.41 0.06 0.00 -0.87 0.00 0.00 176.83 176.49 3abk h ALA 24 N 1.60 0.13 -0.69 5.18 0.00 -0.35 -0.87 119.26 124.26 3abk h ALA 24 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3abk h ALA 24 Cb 0.53 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 3abk h ALA 24 CO 0.04 -0.34 0.24 1.25 0.00 0.00 0.00 179.25 180.44 3abk h LEU 25 N 0.08 0.20 -0.30 0.00 5.85 -1.03 -0.75 115.31 119.36 3abk h LEU 25 Ca 0.04 0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 3abk h LEU 25 Cb 0.06 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3abk h LEU 25 CO -0.01 0.09 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.32 3abk h LEU 26 N 0.39 0.59 -0.56 2.25 3.38 -0.86 0.11 115.31 120.61 3abk h LEU 26 Ca 0.37 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3abk h LEU 26 Cb 0.53 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3abk h LEU 26 CO -0.38 1.17 -0.12 0.24 0.09 0.00 0.00 178.44 179.45 3abk h MET 27 N 0.32 1.03 0.12 1.13 2.86 -1.01 0.29 114.93 119.67 3abk h MET 27 Ca -0.05 -0.39 -0.20 0.00 -2.06 0.00 0.00 59.70 57.01 3abk h MET 27 Cb 1.39 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 33.00 3abk h MET 27 CO 0.14 1.08 -0.91 1.79 1.06 0.00 0.00 176.91 180.07 3abk h THR 28 N 0.91 1.41 0.00 2.22 1.35 -0.97 0.03 112.91 117.86 3abk h THR 28 Ca 0.14 -2.49 -0.05 0.00 -0.55 0.00 0.00 66.41 63.47 3abk h THR 28 Cb 0.69 3.08 -0.01 0.00 -1.73 0.00 0.00 68.15 70.18 3abk h THR 28 CO 0.05 0.70 -0.23 0.77 -0.25 0.00 0.00 175.52 176.56 3abk h SER 29 N -0.42 0.00 -0.20 5.36 4.64 -0.86 -1.67 113.55 120.41 3abk h SER 29 Ca -0.17 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 3abk h SER 29 Cb 1.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.70 3abk h SER 29 CO 0.11 0.23 -0.49 1.23 -0.87 0.00 0.00 176.83 177.03 3abk h GLY 30 N 0.82 0.84 1.46 -0.77 0.00 -0.33 -1.20 103.07 103.90 3abk h GLY 30 Ca -0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 47.33 46.35 3abk h GLY 30 CO 0.03 0.84 0.08 1.41 0.00 0.00 0.00 176.54 178.90 3abk h LEU 31 N 0.61 0.63 -0.41 3.11 3.38 -0.70 -1.03 115.31 120.89 3abk h LEU 31 Ca 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3abk h LEU 31 Cb 1.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3abk h LEU 31 CO 0.11 0.65 0.24 0.74 0.09 0.00 0.00 178.44 180.26 3abk h THR 32 N 0.65 1.14 -0.34 0.22 2.02 -1.03 0.61 112.91 116.18 3abk h THR 32 Ca 0.14 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3abk h THR 32 Cb 0.29 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3abk h THR 32 CO 0.00 0.15 -0.06 -0.03 0.37 0.00 0.00 175.52 175.95 3abk h MET 33 N 0.53 0.56 0.01 6.66 4.05 -0.96 -0.54 114.93 125.24 3abk h MET 33 Ca 0.15 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3abk h MET 33 Cb 0.03 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3abk h MET 33 CO -0.03 0.63 -0.01 2.35 0.23 0.00 0.00 176.91 180.09 3abk h TRP 34 N 0.53 -0.01 0.00 1.39 7.01 -0.70 0.74 115.95 124.90 3abk h TRP 34 Ca 0.10 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 3abk h TRP 34 Cb 0.43 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 3abk h TRP 34 CO 0.02 0.61 -0.20 0.74 -2.79 0.00 0.00 178.44 176.82 3abk h PHE 35 N -0.66 0.00 0.00 2.65 0.04 -0.74 -3.36 116.94 114.87 3abk h PHE 35 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3abk h PHE 35 Cb 0.63 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 3abk h PHE 35 CO 0.15 0.20 -1.01 0.72 -0.60 0.00 0.00 178.31 177.77 3abk n HIS 36 N -3.92 0.00 -1.64 -0.55 8.25 -0.22 -4.79 115.22 112.33 3abk n HIS 36 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.48 3abk n HIS 36 Cb 0.29 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.45 3abk n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3abk n PHE 37 N -1.62 0.00 -4.03 4.41 3.72 0.21 -5.01 117.46 115.14 3abk n PHE 37 Ca -0.00 -0.41 -0.27 0.00 -0.05 0.00 0.00 57.45 56.72 3abk n PHE 37 Cb 0.12 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 3abk n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3abk n ASN 38 N -0.56 -0.26 -3.74 4.37 5.15 -0.97 -4.91 115.26 114.33 3abk n ASN 38 Ca 0.06 -1.05 -0.13 0.00 -0.60 0.00 0.00 54.58 52.86 3abk n ASN 38 Cb 0.68 -2.78 -0.10 0.00 -0.53 0.00 0.00 39.78 37.05 3abk n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3abk s SER 39 N -4.31 -0.37 0.00 1.20 0.15 -1.03 -5.00 113.70 104.34 3abk s SER 39 Ca 0.05 0.68 0.13 0.00 0.70 0.00 0.00 55.95 57.50 3abk s SER 39 Cb -0.03 0.71 0.22 0.00 -1.71 0.00 0.00 66.02 65.22 3abk s SER 39 CO 0.91 -0.17 1.09 0.23 1.20 0.00 0.00 173.24 176.50 3abk n MET 40 N 2.67 1.78 0.17 5.44 2.81 -1.26 -2.20 117.12 126.52 3abk n MET 40 Ca -0.14 -1.68 -0.14 0.00 -1.81 0.00 0.00 57.70 53.93 3abk n MET 40 Cb 0.57 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.72 3abk n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3abk h THR 41 N 2.43 0.70 -0.85 2.03 2.02 -1.96 -0.13 112.91 117.15 3abk h THR 41 Ca 0.00 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 66.80 3abk h THR 41 Cb 0.65 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3abk h THR 41 CO 0.00 0.09 0.50 -0.07 0.37 0.00 0.00 175.52 176.42 3abk h LEU 42 N -0.69 0.75 -0.39 2.58 3.38 -1.88 -2.15 115.31 116.91 3abk h LEU 42 Ca -0.04 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3abk h LEU 42 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3abk h LEU 42 CO 0.07 0.44 0.02 0.25 0.09 0.00 0.00 178.44 179.31 3abk h LEU 43 N 0.86 0.66 -1.02 1.67 5.85 -1.68 -0.43 115.31 121.23 3abk h LEU 43 Ca 0.40 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3abk h LEU 43 Cb 0.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3abk h LEU 43 CO -0.23 0.79 0.15 0.24 -0.34 0.00 0.00 178.44 179.06 3abk h MET 44 N 0.51 0.86 -0.24 1.25 2.86 -0.76 0.00 114.93 119.41 3abk h MET 44 Ca 0.11 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3abk h MET 44 Cb 0.44 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3abk h MET 44 CO 0.02 0.76 -0.06 0.82 1.06 0.00 0.00 176.91 179.51 3abk h ILE 45 N 0.83 1.28 -0.96 -1.22 2.04 -1.02 -2.37 117.51 116.09 3abk h ILE 45 Ca 0.18 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3abk h ILE 45 Cb 0.28 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 3abk h ILE 45 CO -0.00 0.33 0.63 1.23 0.00 0.00 0.00 178.15 180.34 3abk h GLY 46 N 0.20 1.38 1.45 5.37 0.00 -0.72 0.34 103.07 111.10 3abk h GLY 46 Ca 0.06 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3abk h GLY 46 CO 0.02 0.46 -0.10 1.41 0.00 0.00 0.00 176.54 178.33 3abk h LEU 47 N 1.27 0.64 -0.14 3.11 3.38 -0.84 -1.13 115.31 121.61 3abk h LEU 47 Ca 0.37 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3abk h LEU 47 Cb -0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3abk h LEU 47 CO -0.10 0.77 -0.16 0.74 0.09 0.00 0.00 178.44 179.78 3abk h THR 48 N 0.60 1.36 -0.14 0.22 2.02 -0.91 -1.80 112.91 114.25 3abk h THR 48 Ca 0.11 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.90 3abk h THR 48 Cb 0.52 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3abk h THR 48 CO 0.03 0.40 -0.07 0.71 0.37 0.00 0.00 175.52 176.96 3abk h THR 49 N -0.03 1.14 -0.31 3.16 1.35 -0.87 -1.77 112.91 115.57 3abk h THR 49 Ca 0.02 -0.58 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 3abk h THR 49 Cb 0.71 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3abk h THR 49 CO 0.04 0.18 0.05 -1.13 -0.25 0.00 0.00 175.52 174.41 3abk h ASN 50 N 0.21 0.50 -0.38 5.36 -1.24 -1.00 0.18 115.58 119.21 3abk h ASN 50 Ca 0.05 -0.26 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 3abk h ASN 50 Cb 0.26 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3abk h ASN 50 CO 0.01 0.64 -0.00 0.24 -1.29 0.00 0.00 177.43 177.03 3abk h MET 51 N 0.35 0.67 -0.91 6.67 2.86 -1.06 -0.29 114.93 123.22 3abk h MET 51 Ca 0.09 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3abk h MET 51 Cb 0.35 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 3abk h MET 51 CO 0.01 0.77 0.59 -0.07 1.06 0.00 0.00 176.91 179.27 3abk h LEU 52 N 0.49 1.00 -0.00 1.22 3.38 -1.26 -1.77 115.31 118.37 3abk h LEU 52 Ca 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3abk h LEU 52 Cb 0.47 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3abk h LEU 52 CO 0.02 0.70 -0.00 0.74 0.09 0.00 0.00 178.44 179.99 3abk h THR 53 N 1.17 1.30 -0.47 0.22 2.02 -0.71 -1.40 112.91 115.04 3abk h THR 53 Ca 0.35 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.72 3abk h THR 53 Cb -0.05 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 3abk h THR 53 CO -0.10 0.23 0.16 0.24 0.37 0.00 0.00 175.52 176.42 3abk h MET 54 N -0.36 0.32 0.15 6.66 2.86 -0.89 0.13 114.93 123.80 3abk h MET 54 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3abk h MET 54 Cb 0.37 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3abk h MET 54 CO 0.00 0.21 -0.13 -0.92 1.06 0.00 0.00 176.91 177.13 3abk h TYR 55 N 0.33 -0.35 -0.25 -0.22 3.20 -1.26 -0.47 116.97 117.95 3abk h TYR 55 Ca 0.23 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.98 3abk h TYR 55 Cb 0.24 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3abk h TYR 55 CO -0.16 -0.21 -0.35 1.96 -1.64 0.00 0.00 178.16 177.76 3abk h GLN 56 N -0.31 0.55 0.51 1.82 4.20 -1.08 -1.16 115.11 119.66 3abk h GLN 56 Ca -0.00 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 3abk h GLN 56 Cb 0.28 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.06 3abk h GLN 56 CO -0.02 0.83 -0.25 2.35 -0.67 0.00 0.00 178.83 181.07 3abk h TRP 57 N 0.47 -0.64 -0.08 2.96 2.91 -0.86 -0.68 115.95 120.03 3abk h TRP 57 Ca 0.05 -0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.91 3abk h TRP 57 Cb 0.83 0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 3abk h TRP 57 CO 0.03 -0.35 -0.59 -1.49 -1.03 0.00 0.00 178.44 175.01 3abk h TRP 58 N -0.80 0.34 -0.88 2.65 6.55 -1.13 -1.78 115.95 120.89 3abk h TRP 58 Ca -0.07 -0.13 0.19 0.00 0.95 0.00 0.00 58.89 59.83 3abk h TRP 58 Cb 0.58 -0.06 -0.11 0.00 -0.86 0.00 0.00 29.16 28.71 3abk h TRP 58 CO -0.02 0.79 0.43 -0.09 -1.05 0.00 0.00 178.44 178.50 3abk h ARG 59 N 0.20 0.51 -0.28 0.49 2.43 -1.19 -2.17 114.38 114.36 3abk h ARG 59 Ca -0.00 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3abk h ARG 59 Cb 1.09 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3abk h ARG 59 CO 0.09 0.33 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.06 3abk h ASP 60 N 0.52 0.83 -1.00 -3.80 3.32 -0.50 -1.25 116.42 114.55 3abk h ASP 60 Ca 0.52 -0.50 0.10 0.00 0.02 0.00 0.00 57.03 57.17 3abk h ASP 60 Cb 0.88 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 40.11 3abk h ASP 60 CO -0.45 1.17 0.64 0.58 -1.72 0.00 0.00 179.24 179.46 3abk h VAL 61 N 0.52 0.98 -0.38 -1.35 2.07 -1.00 0.88 116.25 117.96 3abk h VAL 61 Ca 0.03 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 3abk h VAL 61 Cb 0.98 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3abk h VAL 61 CO 0.09 0.19 -0.24 0.40 0.02 0.00 0.00 177.57 178.03 3abk h ILE 62 N 1.05 1.28 -0.77 4.57 2.04 -0.98 -1.57 117.51 123.12 3abk h ILE 62 Ca 0.47 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3abk h ILE 62 Cb 0.39 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3abk h ILE 62 CO -0.23 0.46 0.48 0.03 0.00 0.00 0.00 178.15 178.89 3abk h ARG 63 N 0.64 0.87 -0.28 2.37 3.08 -0.72 0.18 114.38 120.53 3abk h ARG 63 Ca 0.08 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3abk h ARG 63 Cb 0.81 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3abk h ARG 63 CO 0.07 0.58 -0.16 0.93 -1.07 0.00 0.00 179.97 180.31 3abk h GLU 64 N 0.90 0.48 0.00 0.04 5.08 -0.62 0.63 114.58 121.08 3abk h GLU 64 Ca 0.33 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3abk h GLU 64 Cb 0.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3abk h GLU 64 CO -0.15 0.63 0.00 -1.13 -1.00 0.00 0.00 179.01 177.37 3abk n SER 65 N -4.18 0.00 -0.22 1.42 3.41 -0.61 -0.22 113.62 113.22 3abk n SER 65 Ca 0.00 0.19 -0.06 0.00 -0.26 0.00 0.00 58.87 58.74 3abk n SER 65 Cb 0.35 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 63.92 3abk n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3abk h THR 66 N 0.00 1.18 0.02 6.66 2.02 -0.86 -1.70 112.91 120.23 3abk h THR 66 Ca 0.00 -0.39 -0.32 0.00 0.77 0.00 0.00 66.41 66.47 3abk h THR 66 Cb 0.00 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 3abk h THR 66 CO 0.00 0.19 -1.91 0.49 0.37 0.00 0.00 175.52 174.66 3abk n PHE 67 N -4.60 0.81 0.49 3.16 0.99 -1.02 -4.52 117.46 112.77 3abk n PHE 67 Ca 0.05 0.27 0.06 0.00 -0.00 0.00 0.00 57.45 57.82 3abk n PHE 67 Cb 0.05 -1.14 -0.07 0.00 -1.00 0.00 0.00 39.48 37.32 3abk n PHE 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3abk n GLN 68 N -3.06 2.59 -1.51 -1.08 6.02 0.18 -5.01 117.38 115.51 3abk n GLN 68 Ca -0.23 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.68 3abk n GLN 68 Cb 1.07 -1.11 -0.02 0.00 1.02 0.00 0.00 30.24 31.20 3abk n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3abk n GLY 69 N 1.36 0.60 0.08 1.08 0.00 -0.64 -4.92 105.19 102.75 3abk n GLY 69 Ca 0.02 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.44 3abk n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abk n HIS 70 N -3.23 0.55 -2.92 1.61 8.25 0.70 -4.46 115.22 115.71 3abk n HIS 70 Ca -0.07 0.20 -0.44 0.00 -0.26 0.00 0.00 57.72 57.15 3abk n HIS 70 Cb 0.33 -0.82 -0.00 0.00 1.12 0.00 0.00 29.99 30.62 3abk n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3abk s HIS 71 N -3.16 3.44 0.94 4.41 3.76 -1.26 -4.71 115.29 118.71 3abk s HIS 71 Ca 0.07 -2.06 -0.12 0.00 -0.15 0.00 0.00 55.06 52.80 3abk s HIS 71 Cb 0.11 -4.34 0.16 0.00 1.11 0.00 0.00 32.58 29.62 3abk s HIS 71 CO 0.42 -1.43 1.09 0.95 -0.85 0.00 0.00 174.74 174.93 3abk s THR 72 N 1.80 2.39 0.35 1.30 -4.23 -1.26 -4.69 115.64 111.29 3abk s THR 72 Ca 0.43 0.13 0.06 0.00 -1.18 0.00 0.00 61.69 61.12 3abk s THR 72 Cb -0.03 -2.62 0.30 0.00 1.34 0.00 0.00 72.50 71.49 3abk s THR 72 CO -0.00 -0.17 1.92 -0.65 -0.54 0.00 0.00 174.62 175.18 3abk h PRO 73 N -1.70 0.77 -0.38 3.99 0.11 -1.94 0.12 132.00 132.97 3abk h PRO 73 Ca -0.52 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 3abk h PRO 73 Cb 1.30 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3abk h PRO 73 CO 0.56 0.51 0.10 0.00 -0.21 0.00 0.00 178.00 178.96 3abk h ALA 74 N 1.58 0.50 -0.55 -0.75 0.00 -1.91 0.05 119.26 118.18 3abk h ALA 74 Ca 0.37 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3abk h ALA 74 Cb 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3abk h ALA 74 CO -0.14 0.18 0.29 0.28 0.00 0.00 0.00 179.25 179.85 3abk h VAL 75 N 0.47 0.95 -0.62 0.00 2.07 -1.55 -1.90 116.25 115.67 3abk h VAL 75 Ca 0.12 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3abk h VAL 75 Cb 0.30 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3abk h VAL 75 CO 0.00 0.10 0.12 -0.61 0.02 0.00 0.00 177.57 177.20 3abk h GLN 76 N 0.55 1.01 -0.76 1.57 4.15 -0.39 -1.32 115.11 119.92 3abk h GLN 76 Ca 0.25 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3abk h GLN 76 Cb 0.15 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3abk h GLN 76 CO -0.17 0.94 0.40 -0.22 -1.93 0.00 0.00 178.83 177.85 3abk h LYS 77 N 0.92 1.07 -0.39 1.69 3.64 -0.75 -1.45 116.57 121.31 3abk h LYS 77 Ca 0.19 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3abk h LYS 77 Cb 0.41 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 3abk h LYS 77 CO 0.01 0.80 0.05 0.78 -2.27 0.00 0.00 179.45 178.82 3abk h GLY 78 N 1.11 0.44 2.00 5.01 0.00 -0.79 -2.26 103.07 108.58 3abk h GLY 78 Ca 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3abk h GLY 78 CO -0.04 -0.05 -0.22 1.41 0.00 0.00 0.00 176.54 177.63 3abk h LEU 79 N 0.17 0.00 0.44 3.11 3.38 -0.70 -0.88 115.31 120.84 3abk h LEU 79 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3abk h LEU 79 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3abk h LEU 79 CO -0.27 0.22 -0.21 0.03 0.09 0.00 0.00 178.44 178.30 3abk h ARG 80 N 0.00 -0.57 -0.82 1.13 3.08 -0.85 -1.12 114.38 115.24 3abk h ARG 80 Ca -0.00 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.20 3abk h ARG 80 Cb 0.47 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 3abk h ARG 80 CO 0.03 -0.30 0.44 1.88 -1.07 0.00 0.00 179.97 180.95 3abk h TYR 81 N -0.75 0.79 -0.58 3.04 0.05 -1.18 -1.97 116.97 116.37 3abk h TYR 81 Ca -0.06 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.78 3abk h TYR 81 Cb 0.53 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 3abk h TYR 81 CO -0.01 0.27 0.35 0.78 -1.05 0.00 0.00 178.16 178.49 3abk h GLY 82 N 0.70 0.83 1.28 3.88 0.00 -0.94 -0.17 103.07 108.64 3abk h GLY 82 Ca 0.42 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 3abk h GLY 82 CO -0.29 0.21 -0.69 1.98 0.00 0.00 0.00 176.54 177.74 3abk h MET 83 N 0.68 0.73 -0.27 4.80 1.85 -0.96 -2.07 114.93 119.69 3abk h MET 83 Ca 0.24 -0.55 -0.01 0.00 -0.61 0.00 0.00 59.70 58.77 3abk h MET 83 Cb 0.04 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 3abk h MET 83 CO -0.11 1.16 0.12 0.82 -0.40 0.00 0.00 176.91 178.50 3abk h ILE 84 N 0.52 1.16 -0.89 1.77 2.04 -1.07 -1.57 117.51 119.47 3abk h ILE 84 Ca -0.03 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.43 3abk h ILE 84 Cb 1.30 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 3abk h ILE 84 CO 0.14 0.17 0.55 -0.07 0.00 0.00 0.00 178.15 178.93 3abk h LEU 85 N 0.30 0.84 -0.25 1.44 3.38 -1.04 -0.67 115.31 119.30 3abk h LEU 85 Ca 0.09 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3abk h LEU 85 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3abk h LEU 85 CO -0.01 0.51 -0.03 0.15 0.09 0.00 0.00 178.44 179.14 3abk h PHE 86 N 0.96 0.52 -0.79 1.13 3.57 -1.04 -1.16 116.94 120.12 3abk h PHE 86 Ca 0.41 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3abk h PHE 86 Cb 0.26 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 3abk h PHE 86 CO -0.03 0.66 0.41 0.82 -2.23 0.00 0.00 178.31 177.94 3abk h ILE 87 N 0.22 1.24 -0.71 1.41 2.04 -0.95 -1.37 117.51 119.39 3abk h ILE 87 Ca 0.07 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3abk h ILE 87 Cb 0.48 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3abk h ILE 87 CO 0.02 0.28 0.44 0.40 0.00 0.00 0.00 178.15 179.30 3abk h ILE 88 N 1.11 1.08 -0.72 -0.67 2.04 -0.70 0.18 117.51 119.82 3abk h ILE 88 Ca 0.28 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3abk h ILE 88 Cb 0.08 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3abk h ILE 88 CO -0.04 0.16 0.41 0.77 0.00 0.00 0.00 178.15 179.45 3abk h SER 89 N 0.86 0.88 0.40 1.72 4.64 -0.47 -1.06 113.55 120.52 3abk h SER 89 Ca 0.29 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 3abk h SER 89 Cb 0.04 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 3abk h SER 89 CO -0.12 0.70 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.69 3abk h GLU 90 N 1.00 0.14 -0.19 4.77 4.39 -0.37 -1.28 114.58 123.04 3abk h GLU 90 Ca 0.26 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3abk h GLU 90 Cb 0.00 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3abk h GLU 90 CO -0.04 0.63 -0.09 0.28 -1.16 0.00 0.00 179.01 178.63 3abk h VAL 91 N 0.11 1.31 -0.78 3.13 2.07 0.06 -1.56 116.25 120.59 3abk h VAL 91 Ca 0.00 -1.14 0.11 0.00 0.82 0.00 0.00 66.70 66.49 3abk h VAL 91 Cb 0.96 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 3abk h VAL 91 CO 0.08 0.34 0.51 -0.07 0.02 0.00 0.00 177.57 178.45 3abk h LEU 92 N 0.08 0.61 -0.29 2.57 -0.00 -1.01 0.12 115.31 117.39 3abk h LEU 92 Ca 0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3abk h LEU 92 Cb 0.57 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 3abk h LEU 92 CO 0.03 0.35 0.09 0.15 -0.00 0.00 0.00 178.44 179.06 3abk h PHE 93 N 0.67 0.46 -0.91 1.13 3.57 -0.89 -2.28 116.94 118.69 3abk h PHE 93 Ca 0.37 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.84 3abk h PHE 93 Cb 0.52 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 3abk h PHE 93 CO -0.00 0.48 0.59 0.74 -2.23 0.00 0.00 178.31 177.89 3abk h PHE 94 N 0.30 1.12 -0.95 0.41 -1.00 -0.74 -2.75 116.94 113.34 3abk h PHE 94 Ca 0.09 0.03 0.16 0.00 2.81 0.00 0.00 57.97 61.06 3abk h PHE 94 Cb 0.23 -0.38 -0.08 0.00 3.61 0.00 0.00 35.95 39.34 3abk h PHE 94 CO 0.00 0.68 0.60 1.15 -1.61 0.00 0.00 178.31 179.13 3abk h THR 95 N 1.19 0.79 -0.24 -1.55 2.02 -0.21 -0.83 112.91 114.08 3abk h THR 95 Ca 0.35 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 3abk h THR 95 Cb -0.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 3abk h THR 95 CO -0.09 0.13 -0.19 1.23 0.37 0.00 0.00 175.52 176.97 3abk h GLY 96 N 0.73 0.46 1.28 2.16 0.00 -1.18 0.39 103.07 106.90 3abk h GLY 96 Ca 0.50 -0.34 -0.23 0.00 0.00 0.00 0.00 47.33 47.25 3abk h GLY 96 CO -0.26 0.31 -0.88 0.74 0.00 0.00 0.00 176.54 176.46 3abk h PHE 97 N 0.39 0.96 -0.86 5.60 0.04 -1.24 -1.35 116.94 120.48 3abk h PHE 97 Ca 0.07 -0.47 0.06 0.00 2.80 0.00 0.00 57.97 60.44 3abk h PHE 97 Cb 0.56 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.51 3abk h PHE 97 CO 0.02 1.29 0.53 0.74 -0.60 0.00 0.00 178.31 180.29 3abk h PHE 98 N 0.44 0.98 -0.21 -0.55 0.04 -1.01 -0.55 116.94 116.09 3abk h PHE 98 Ca -0.08 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3abk h PHE 98 Cb 1.51 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 3abk h PHE 98 CO 0.08 0.49 0.07 2.35 -0.60 0.00 0.00 178.31 180.70 3abk h TRP 99 N 0.96 0.33 -0.61 -0.55 2.91 -0.84 0.31 115.95 118.46 3abk h TRP 99 Ca 0.38 -0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.45 3abk h TRP 99 Cb 0.19 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.68 3abk h TRP 99 CO -0.03 0.39 0.27 0.00 -1.03 0.00 0.00 178.44 178.04 3abk h ALA 100 N 0.90 0.80 0.28 2.65 0.00 -0.90 -0.19 119.26 122.79 3abk h ALA 100 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3abk h ALA 100 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3abk h ALA 100 CO -0.00 -0.13 -0.23 0.35 0.00 0.00 0.00 179.25 179.24 3abk h PHE 101 N 0.48 -0.60 -0.46 0.00 3.57 -0.58 -2.32 116.94 117.04 3abk h PHE 101 Ca 0.30 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3abk h PHE 101 Cb 0.31 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3abk h PHE 101 CO -0.14 -0.34 0.22 1.88 -2.23 0.00 0.00 178.31 177.71 3abk h TYR 102 N -0.52 0.66 -0.53 0.41 -1.99 -0.64 -1.37 116.97 113.00 3abk h TYR 102 Ca -0.02 -0.03 0.11 0.00 2.00 0.00 0.00 58.73 60.79 3abk h TYR 102 Cb 0.46 -0.20 -0.10 0.00 2.00 0.00 0.00 36.73 38.89 3abk h TYR 102 CO -0.14 0.52 -0.12 1.25 -0.00 0.00 0.00 178.16 179.68 3abk h HIS 103 N 0.60 -0.25 -0.09 4.88 2.76 -0.99 0.47 115.15 122.52 3abk h HIS 103 Ca 0.16 0.05 -0.22 0.00 -2.20 0.00 0.00 60.37 58.16 3abk h HIS 103 Cb 0.11 0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.27 3abk h HIS 103 CO -0.01 -0.22 -0.81 0.77 -1.30 0.00 0.00 177.93 176.36 3abk h SER 104 N 0.01 0.74 0.54 3.26 0.02 -1.16 -3.28 113.55 113.67 3abk h SER 104 Ca 0.25 -0.51 -0.29 0.00 -0.84 0.00 0.00 61.79 60.40 3abk h SER 104 Cb 0.39 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3abk h SER 104 CO -0.53 1.29 -1.38 0.77 -1.14 0.00 0.00 176.83 175.84 3abk h SER 105 N 0.40 0.42 1.25 3.07 4.64 -1.15 -3.23 113.55 118.95 3abk h SER 105 Ca -0.06 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3abk h SER 105 Cb 1.43 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3abk h SER 105 CO 0.15 1.41 0.00 -0.07 -0.87 0.00 0.00 176.83 177.45 3abk h LEU 106 N 0.07 0.00 -5.96 5.97 3.38 -1.03 -3.36 115.31 114.38 3abk h LEU 106 Ca -0.19 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.26 3abk h LEU 106 Cb 2.00 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.35 3abk h LEU 106 CO 0.19 0.00 -1.09 0.00 0.09 0.00 0.00 178.44 177.62 3abk n ALA 107 N -1.81 2.47 -1.75 1.53 0.00 -1.24 -5.10 120.51 114.61 3abk n ALA 107 Ca 0.04 -3.57 -0.42 0.00 0.00 0.00 0.00 53.44 49.50 3abk n ALA 107 Cb 0.37 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 3abk n ALA 107 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3abk n PRO 108 N 0.68 2.64 -2.67 0.00 -0.02 -1.22 -4.87 135.00 129.54 3abk n PRO 108 Ca 0.24 0.93 -0.22 0.00 -2.02 0.00 0.00 63.50 62.44 3abk n PRO 108 Cb 0.58 -2.67 0.07 0.00 -0.02 0.00 0.00 33.50 31.45 3abk n PRO 108 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3abk s THR 109 N -0.58 2.39 0.43 3.45 -4.23 -1.26 -4.48 115.64 111.36 3abk s THR 109 Ca 0.59 -0.68 0.13 0.00 -1.18 0.00 0.00 61.69 60.54 3abk s THR 109 Cb -0.50 -2.71 0.32 0.00 1.34 0.00 0.00 72.50 70.96 3abk s THR 109 CO 0.56 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.99 3abk h PRO 110 N -0.16 0.41 0.00 3.99 0.11 -1.94 0.31 132.00 134.73 3abk h PRO 110 Ca -0.38 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3abk h PRO 110 Cb 1.28 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3abk h PRO 110 CO 0.45 0.27 -0.05 0.93 -0.21 0.00 0.00 178.00 179.40 3abk h GLU 111 N 0.42 0.00 0.00 1.05 3.07 -2.02 -0.23 114.58 116.88 3abk h GLU 111 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3abk h GLU 111 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3abk h GLU 111 CO -0.07 0.05 -0.37 -0.07 -1.40 0.00 0.00 179.01 177.14 3abk h LEU 112 N 0.00 0.00 0.00 1.33 3.38 -1.80 -3.47 115.31 114.75 3abk h LEU 112 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3abk h LEU 112 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3abk h LEU 112 CO 0.01 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3abk n GLY 113 N 1.31 0.73 2.42 0.83 0.00 -0.10 -1.00 105.19 109.38 3abk n GLY 113 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3abk n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abk n GLY 114 N -2.02 1.47 3.13 -0.02 0.00 0.05 -4.94 105.19 102.86 3abk n GLY 114 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3abk n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abk s TRP 116 N -3.94 1.53 0.64 0.00 -0.11 -1.26 -3.11 118.94 112.69 3abk s TRP 116 Ca 0.11 -0.49 -0.18 0.00 1.22 0.00 0.00 56.10 56.76 3abk s TRP 116 Cb 0.07 -1.07 -0.01 0.00 -1.50 0.00 0.00 33.47 30.96 3abk s TRP 116 CO -0.07 -0.21 1.27 -1.25 -4.62 0.00 0.00 176.95 172.07 3abk s PRO 117 N 0.30 2.61 0.96 5.86 0.04 -1.26 -4.99 135.00 138.53 3abk s PRO 117 Ca -0.08 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 3abk s PRO 117 Cb -0.13 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.65 3abk s PRO 117 CO 0.03 -1.53 0.72 -2.30 0.04 0.00 0.00 177.00 173.95 3abk n PRO 118 N -1.89 -0.60 -1.70 0.56 -0.02 -1.18 -4.89 135.00 125.29 3abk n PRO 118 Ca 0.15 -0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.08 3abk n PRO 118 Cb 0.49 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3abk n PRO 118 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3abk n THR 119 N -4.01 1.65 -0.52 3.45 -1.04 -0.17 -2.41 114.28 111.22 3abk n THR 119 Ca 0.08 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3abk n THR 119 Cb 0.54 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3abk n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3abk n GLY 120 N 1.22 1.09 3.66 3.41 0.00 -1.26 -4.97 105.19 108.34 3abk n GLY 120 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3abk n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abk s ILE 121 N -3.18 4.99 -0.49 -0.61 -1.09 -1.01 -5.04 121.20 114.76 3abk s ILE 121 Ca 0.00 0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 58.40 3abk s ILE 121 Cb 0.00 -3.26 0.13 0.00 -1.58 0.00 0.00 42.46 37.74 3abk s ILE 121 CO 0.00 0.45 0.33 -1.00 -1.23 0.00 0.00 174.94 173.48 3abk s HIS 122 N 0.43 3.50 0.86 3.97 3.76 -1.26 -4.81 115.29 121.74 3abk s HIS 122 Ca 0.05 -2.23 -0.10 0.00 -0.15 0.00 0.00 55.06 52.62 3abk s HIS 122 Cb -0.12 -3.36 0.11 0.00 1.11 0.00 0.00 32.58 30.32 3abk s HIS 122 CO -0.00 -0.96 1.13 -2.14 -0.85 0.00 0.00 174.74 171.91 3abk s PRO 123 N 0.98 1.48 0.76 8.40 0.02 -1.26 -4.82 135.00 140.56 3abk s PRO 123 Ca 0.09 1.41 -0.11 0.00 0.02 0.00 0.00 61.00 62.41 3abk s PRO 123 Cb -0.23 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.55 3abk s PRO 123 CO -0.03 -2.26 1.10 -0.51 -0.33 0.00 0.00 177.00 174.97 3abk s LEU 124 N -6.34 3.09 -0.22 -5.54 1.43 -1.26 -4.95 118.68 104.89 3abk s LEU 124 Ca 0.65 1.86 -0.28 0.00 -1.03 0.00 0.00 54.13 55.33 3abk s LEU 124 Cb -0.21 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.49 3abk s LEU 124 CO 0.57 -1.99 0.99 0.21 0.23 0.00 0.00 176.35 176.37 3abk s ASN 125 N -3.24 7.07 0.00 2.29 3.84 -1.26 -4.90 114.94 118.74 3abk s ASN 125 Ca 0.62 1.33 0.09 0.00 0.21 0.00 0.00 52.86 55.11 3abk s ASN 125 Cb -0.18 -2.52 0.40 0.00 -0.55 0.00 0.00 41.25 38.40 3abk s ASN 125 CO 0.54 -0.61 1.24 -0.81 -2.79 0.00 0.00 177.10 174.67 3abk n PRO 126 N 6.10 0.04 -0.16 0.43 -0.04 -1.26 -1.33 135.00 138.78 3abk n PRO 126 Ca 0.10 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 3abk n PRO 126 Cb 0.47 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 3abk n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3abk n LEU 127 N -1.43 3.28 0.00 1.53 7.99 -1.26 -2.49 117.00 124.62 3abk n LEU 127 Ca 0.03 -1.46 0.00 0.00 -0.01 0.00 0.00 56.01 54.57 3abk n LEU 127 Cb 0.09 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 3abk n LEU 127 CO 0.08 0.70 0.00 -0.62 -1.51 0.00 0.00 177.39 176.03 3abk n GLU 128 N 1.35 0.00 -0.28 3.23 1.02 -0.44 -4.59 120.64 120.92 3abk n GLU 128 Ca 0.17 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.35 3abk n GLU 128 Cb 0.57 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.17 3abk n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3abk h VAL 129 N 0.00 0.83 -1.00 2.62 2.07 -1.88 -1.13 116.25 117.76 3abk h VAL 129 Ca 0.00 -0.24 0.21 0.00 0.82 0.00 0.00 66.70 67.50 3abk h VAL 129 Cb 0.00 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 29.74 3abk h VAL 129 CO 0.00 0.13 0.61 -0.65 0.02 0.00 0.00 177.57 177.67 3abk h PRO 130 N 0.69 0.67 -0.06 1.57 0.11 -1.78 0.95 132.00 134.15 3abk h PRO 130 Ca 0.41 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.26 3abk h PRO 130 Cb 0.46 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.42 3abk h PRO 130 CO -0.29 0.44 -0.85 1.25 -0.21 0.00 0.00 178.00 178.34 3abk h LEU 131 N 0.69 0.69 -0.46 2.35 5.85 -0.93 -1.93 115.31 121.57 3abk h LEU 131 Ca 0.61 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3abk h LEU 131 Cb 1.03 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3abk h LEU 131 CO -0.42 1.28 0.15 0.25 -0.34 0.00 0.00 178.44 179.35 3abk h LEU 132 N 0.35 0.13 -1.18 2.25 5.85 -0.37 -1.40 115.31 120.95 3abk h LEU 132 Ca -0.07 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3abk h LEU 132 Cb 1.47 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 3abk h LEU 132 CO 0.16 0.10 0.56 0.78 -0.34 0.00 0.00 178.44 179.70 3abk h ASN 133 N 0.31 0.94 -0.53 1.25 2.35 -0.69 -0.64 115.58 118.56 3abk h ASN 133 Ca 0.22 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3abk h ASN 133 Cb 0.24 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3abk h ASN 133 CO -0.24 0.65 0.24 0.74 -1.65 0.00 0.00 177.43 177.18 3abk h THR 134 N 1.09 1.20 0.00 2.81 2.02 -0.62 -2.05 112.91 117.37 3abk h THR 134 Ca 0.33 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 3abk h THR 134 Cb -0.02 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3abk h THR 134 CO -0.09 0.23 -0.46 0.77 0.37 0.00 0.00 175.52 176.35 3abk h SER 135 N 0.72 0.00 -0.05 4.18 4.64 -0.23 -0.74 113.55 122.07 3abk h SER 135 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3abk h SER 135 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3abk h SER 135 CO -0.02 0.46 -0.10 0.58 -0.87 0.00 0.00 176.83 176.88 3abk h VAL 136 N 0.00 1.43 -0.25 0.95 2.07 -0.94 0.13 116.25 119.64 3abk h VAL 136 Ca -0.00 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 3abk h VAL 136 Cb 0.91 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 3abk h VAL 136 CO 0.06 0.39 -0.07 -0.07 0.02 0.00 0.00 177.57 177.90 3abk h LEU 137 N -0.36 0.49 -0.96 2.57 3.38 -1.26 -1.03 115.31 118.14 3abk h LEU 137 Ca 0.00 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3abk h LEU 137 Cb 0.69 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3abk h LEU 137 CO 0.02 0.76 0.61 -0.07 0.09 0.00 0.00 178.44 179.85 3abk h LEU 138 N 0.22 0.96 -1.01 1.67 3.38 -1.10 -2.05 115.31 117.38 3abk h LEU 138 Ca 0.06 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3abk h LEU 138 Cb 0.55 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3abk h LEU 138 CO 0.03 0.60 0.65 0.00 0.09 0.00 0.00 178.44 179.81 3abk h ALA 139 N 1.45 1.28 0.00 1.53 0.00 -0.44 -1.96 119.26 121.12 3abk h ALA 139 Ca 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3abk h ALA 139 Cb 0.20 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3abk h ALA 139 CO -0.18 0.66 -0.12 0.66 0.00 0.00 0.00 179.25 180.27 3abk h SER 140 N 1.35 0.00 -0.21 0.00 4.64 -0.71 0.11 113.55 118.73 3abk h SER 140 Ca 0.36 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.56 3abk h SER 140 Cb -0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3abk h SER 140 CO -0.08 0.12 -0.29 1.23 -0.87 0.00 0.00 176.83 176.94 3abk h GLY 141 N 0.89 0.76 0.61 -0.77 0.00 -0.67 -1.49 103.07 102.40 3abk h GLY 141 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3abk h GLY 141 CO 0.02 0.62 -0.04 -2.08 0.00 0.00 0.00 176.54 175.06 3abk h VAL 142 N 0.60 1.36 -0.47 4.60 2.07 -1.17 -2.72 116.25 120.52 3abk h VAL 142 Ca 0.07 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 3abk h VAL 142 Cb 0.79 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3abk h VAL 142 CO 0.07 0.31 -0.09 0.77 0.02 0.00 0.00 177.57 178.64 3abk h SER 143 N -0.31 0.84 0.45 0.57 4.64 -0.94 -0.73 113.55 118.07 3abk h SER 143 Ca 0.01 -0.25 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 3abk h SER 143 Cb 0.52 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3abk h SER 143 CO 0.01 0.96 -0.42 -0.29 -0.87 0.00 0.00 176.83 176.22 3abk h ILE 144 N 0.77 1.26 -0.58 0.95 2.10 -1.33 0.78 117.51 121.47 3abk h ILE 144 Ca 0.13 -1.46 -0.10 0.00 1.08 0.00 0.00 64.86 64.51 3abk h ILE 144 Cb 0.60 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 38.10 3abk h ILE 144 CO 0.04 0.41 -0.02 0.74 -1.08 0.00 0.00 178.15 178.24 3abk h THR 145 N 0.00 1.27 -0.22 2.19 2.02 -1.07 -0.36 112.91 116.73 3abk h THR 145 Ca -0.00 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.05 3abk h THR 145 Cb 0.76 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 3abk h THR 145 CO 0.05 0.42 -0.07 -0.25 0.37 0.00 0.00 175.52 176.04 3abk h TRP 146 N 0.94 -0.16 -0.79 3.16 7.01 -0.33 -1.81 115.95 123.97 3abk h TRP 146 Ca 0.16 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.33 3abk h TRP 146 Cb 0.58 0.11 -0.09 0.00 -2.10 0.00 0.00 29.16 27.65 3abk h TRP 146 CO 0.04 -0.12 0.35 0.00 -2.79 0.00 0.00 178.44 175.92 3abk h ALA 147 N 1.18 1.14 -0.47 2.65 0.00 -0.62 0.23 119.26 123.36 3abk h ALA 147 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3abk h ALA 147 Cb 0.20 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3abk h ALA 147 CO -0.24 -0.17 0.19 1.25 0.00 0.00 0.00 179.25 180.28 3abk h HIS 148 N 0.51 0.71 -0.48 0.00 -0.00 -0.78 -1.60 115.15 113.52 3abk h HIS 148 Ca 0.43 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.69 3abk h HIS 148 Cb 0.63 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 3abk h HIS 148 CO -0.14 0.60 0.06 0.45 -0.00 0.00 0.00 177.93 178.91 3abk h HIS 149 N 0.62 0.86 -0.58 5.26 -0.00 -0.89 -1.97 115.15 118.44 3abk h HIS 149 Ca 0.16 -0.13 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 3abk h HIS 149 Cb 0.19 -0.23 -0.09 0.00 -0.00 0.00 0.00 27.41 27.27 3abk h HIS 149 CO 0.00 0.80 0.08 0.77 -0.00 0.00 0.00 177.93 179.58 3abk h SER 150 N 0.67 -0.10 0.08 2.45 0.02 -0.90 -1.23 113.55 114.54 3abk h SER 150 Ca 0.14 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3abk h SER 150 Cb 0.42 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3abk h SER 150 CO 0.01 -0.04 -0.04 0.25 -1.14 0.00 0.00 176.83 175.88 3abk h LEU 151 N 0.20 -0.09 -1.45 5.07 5.85 -1.12 0.02 115.31 123.78 3abk h LEU 151 Ca 0.31 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.05 3abk h LEU 151 Cb 0.47 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3abk h LEU 151 CO -0.43 0.02 0.48 0.24 -0.34 0.00 0.00 178.44 178.41 3abk h MET 152 N -0.20 0.59 -0.00 1.25 2.86 -1.17 -0.93 114.93 117.32 3abk h MET 152 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3abk h MET 152 Cb 0.17 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3abk h MET 152 CO 0.02 0.39 -0.04 0.39 1.06 0.00 0.00 176.91 178.73 3abk n GLU 153 N -4.49 0.63 -0.35 1.72 1.02 -0.48 -4.80 120.64 113.88 3abk n GLU 153 Ca 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3abk n GLU 153 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3abk n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3abk n GLY 154 N 1.24 0.82 3.38 0.62 0.00 -0.36 -5.01 105.19 105.88 3abk n GLY 154 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3abk n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abk s ASP 155 N -2.03 6.61 0.17 1.61 -1.08 -0.10 -4.93 116.67 116.92 3abk s ASP 155 Ca 0.00 -2.24 -0.14 0.00 -0.52 0.00 0.00 52.55 49.65 3abk s ASP 155 Cb 0.00 -2.29 0.06 0.00 -1.46 0.00 0.00 42.92 39.23 3abk s ASP 155 CO 0.00 -0.84 1.83 -0.09 0.52 0.00 0.00 175.17 176.59 3abk h ARG 156 N 8.40 0.69 0.05 4.34 2.43 -1.95 -1.96 114.38 126.39 3abk h ARG 156 Ca 0.05 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 3abk h ARG 156 Cb 1.04 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3abk h ARG 156 CO 0.94 0.47 -1.05 -0.22 -1.51 0.00 0.00 179.97 178.60 3abk h LYS 157 N 0.70 0.37 0.06 0.20 3.64 -1.97 -2.35 116.57 117.22 3abk h LYS 157 Ca 0.19 -0.46 -0.26 0.00 -1.27 0.00 0.00 60.65 58.85 3abk h LYS 157 Cb -0.06 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3abk h LYS 157 CO -0.04 1.15 -1.10 0.45 -2.27 0.00 0.00 179.45 177.64 3abk h HIS 158 N 0.18 0.79 -0.37 1.91 3.86 -1.95 -0.16 115.15 119.40 3abk h HIS 158 Ca -0.10 -0.47 0.08 0.00 -1.16 0.00 0.00 60.37 58.72 3abk h HIS 158 Cb 1.72 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 30.03 3abk h HIS 158 CO 0.06 1.31 -0.23 1.98 0.86 0.00 0.00 177.93 181.92 3abk h MET 159 N 0.25 -0.17 -0.16 2.45 1.85 -1.35 0.16 114.93 117.96 3abk h MET 159 Ca -0.13 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.00 3abk h MET 159 Cb 1.76 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 33.80 3abk h MET 159 CO 0.20 -0.11 -0.03 -0.07 -0.40 0.00 0.00 176.91 176.50 3abk h LEU 160 N -0.18 -0.12 -0.58 3.39 3.38 -1.37 0.15 115.31 119.98 3abk h LEU 160 Ca 0.18 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3abk h LEU 160 Cb 0.46 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3abk h LEU 160 CO -0.47 -0.04 -0.05 -0.61 0.09 0.00 0.00 178.44 177.35 3abk h GLN 161 N 0.02 1.06 -0.50 1.13 4.15 -0.82 -0.71 115.11 119.43 3abk h GLN 161 Ca 0.08 -0.36 -0.10 0.00 0.77 0.00 0.00 58.65 59.03 3abk h GLN 161 Cb 0.11 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3abk h GLN 161 CO -0.15 1.06 -0.10 0.00 -1.93 0.00 0.00 178.83 177.71 3abk h ALA 162 N 0.96 0.88 -0.45 3.38 0.00 -0.23 -1.53 119.26 122.26 3abk h ALA 162 Ca 0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3abk h ALA 162 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3abk h ALA 162 CO 0.04 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.19 3abk h LEU 163 N 0.83 0.78 -0.77 0.00 5.85 -0.64 -0.35 115.31 121.01 3abk h LEU 163 Ca 0.14 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3abk h LEU 163 Cb 0.63 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3abk h LEU 163 CO 0.04 0.89 0.48 0.15 -0.34 0.00 0.00 178.44 179.66 3abk h PHE 164 N 0.64 0.90 -0.22 1.25 3.57 -0.93 -0.77 116.94 121.37 3abk h PHE 164 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3abk h PHE 164 Cb 0.49 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3abk h PHE 164 CO 0.04 0.50 0.05 0.82 -2.23 0.00 0.00 178.31 177.49 3abk h ILE 165 N 0.92 1.21 -0.47 1.41 2.04 -1.04 0.21 117.51 121.79 3abk h ILE 165 Ca 0.31 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.60 3abk h ILE 165 Cb 0.05 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 3abk h ILE 165 CO -0.13 0.21 -0.18 0.74 0.00 0.00 0.00 178.15 178.80 3abk h THR 166 N 0.18 0.42 -0.74 -0.27 2.02 -0.51 -0.76 112.91 113.25 3abk h THR 166 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3abk h THR 166 Cb 0.27 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 3abk h THR 166 CO 0.00 0.00 0.44 0.40 0.37 0.00 0.00 175.52 176.73 3abk h ILE 167 N -0.07 1.21 -0.58 3.11 2.04 -1.01 -1.25 117.51 120.96 3abk h ILE 167 Ca 0.23 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3abk h ILE 167 Cb 0.42 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3abk h ILE 167 CO -0.52 0.22 0.20 0.74 0.00 0.00 0.00 178.15 178.79 3abk h THR 168 N 1.01 1.22 -0.37 -0.27 2.02 -0.54 0.13 112.91 116.10 3abk h THR 168 Ca 0.26 -0.72 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3abk h THR 168 Cb -0.03 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3abk h THR 168 CO -0.05 0.28 -0.29 -0.07 0.37 0.00 0.00 175.52 175.76 3abk h LEU 169 N 0.84 0.84 -0.48 2.58 3.38 -0.62 0.83 115.31 122.69 3abk h LEU 169 Ca 0.20 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3abk h LEU 169 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3abk h LEU 169 CO -0.01 1.07 0.23 1.23 0.09 0.00 0.00 178.44 181.05 3abk h GLY 170 N 0.93 0.74 0.98 0.83 0.00 -0.55 -0.27 103.07 105.72 3abk h GLY 170 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3abk h GLY 170 CO 0.07 0.35 0.11 -2.08 0.00 0.00 0.00 176.54 174.98 3abk h VAL 171 N 0.63 1.24 -0.65 4.60 2.07 -0.48 -1.32 116.25 122.34 3abk h VAL 171 Ca 0.17 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.82 3abk h VAL 171 Cb 0.11 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3abk h VAL 171 CO -0.02 0.31 0.42 0.22 0.02 0.00 0.00 177.57 178.53 3abk h TYR 172 N 0.69 0.80 -0.37 1.57 3.20 -0.48 -0.95 116.97 121.42 3abk h TYR 172 Ca 0.15 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3abk h TYR 172 Cb 0.36 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3abk h TYR 172 CO 0.02 0.49 0.19 0.35 -1.64 0.00 0.00 178.16 177.58 3abk h PHE 173 N 0.86 0.36 -0.51 -3.82 3.57 -0.81 0.17 116.94 116.76 3abk h PHE 173 Ca 0.25 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3abk h PHE 173 Cb -0.07 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3abk h PHE 173 CO -0.03 0.20 0.24 1.15 -2.23 0.00 0.00 178.31 177.63 3abk h THR 174 N 0.40 0.93 -0.05 4.41 2.02 -0.63 0.11 112.91 120.09 3abk h THR 174 Ca 0.16 -0.16 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 3abk h THR 174 Cb 0.05 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3abk h THR 174 CO -0.10 0.09 -0.70 -0.07 0.37 0.00 0.00 175.52 175.11 3abk h LEU 175 N 0.47 0.28 -0.33 2.58 3.38 -0.92 0.29 115.31 121.06 3abk h LEU 175 Ca 0.23 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3abk h LEU 175 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3abk h LEU 175 CO -0.18 0.89 -0.06 -0.07 0.09 0.00 0.00 178.44 179.12 3abk h LEU 176 N 0.16 0.61 -0.67 1.67 3.38 -0.19 -1.53 115.31 118.75 3abk h LEU 176 Ca -0.02 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 3abk h LEU 176 Cb 1.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3abk h LEU 176 CO 0.11 0.82 -0.06 -0.61 0.09 0.00 0.00 178.44 178.79 3abk h GLN 177 N 0.40 0.97 -0.48 1.13 5.75 -0.58 -0.12 115.11 122.18 3abk h GLN 177 Ca 0.09 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3abk h GLN 177 Cb 0.54 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 3abk h GLN 177 CO 0.03 0.99 0.28 0.00 -2.65 0.00 0.00 178.83 177.48 3abk h ALA 178 N 1.04 1.61 0.11 3.38 0.00 -0.76 -0.59 119.26 124.05 3abk h ALA 178 Ca 0.15 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.71 3abk h ALA 178 Cb 0.60 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.22 3abk h ALA 178 CO 0.04 0.34 -1.23 1.03 0.00 0.00 0.00 179.25 179.44 3abk h SER 179 N 0.65 0.82 -0.50 0.00 0.87 -0.65 -2.56 113.55 112.18 3abk h SER 179 Ca 0.17 -0.76 0.09 0.00 -1.23 0.00 0.00 61.79 60.07 3abk h SER 179 Cb -0.02 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 61.60 3abk h SER 179 CO -0.03 1.57 0.07 -0.33 -0.53 0.00 0.00 176.83 177.57 3abk h GLU 180 N 0.26 0.19 -0.56 2.24 4.39 -0.73 0.43 114.58 120.80 3abk h GLU 180 Ca -0.18 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.58 3abk h GLU 180 Cb 1.90 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 30.45 3abk h GLU 180 CO 0.23 0.13 0.24 1.88 -1.16 0.00 0.00 179.01 180.33 3abk h TYR 181 N 0.19 0.43 -0.39 4.33 -1.99 -1.07 0.26 116.97 118.74 3abk h TYR 181 Ca 0.26 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.93 3abk h TYR 181 Cb 0.36 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 3abk h TYR 181 CO -0.26 0.16 -0.07 -0.92 -0.00 0.00 0.00 178.16 177.07 3abk h TYR 182 N 0.46 0.83 0.00 4.88 5.03 -0.97 -3.00 116.97 124.19 3abk h TYR 182 Ca 0.27 -0.17 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 3abk h TYR 182 Cb 0.26 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 3abk h TYR 182 CO -0.14 0.87 -0.04 0.93 -1.32 0.00 0.00 178.16 178.46 3abk h GLU 183 N 0.56 0.00 -6.79 1.82 4.39 -0.50 -3.46 114.58 110.60 3abk h GLU 183 Ca 0.10 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.27 3abk h GLU 183 Cb 0.58 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.31 3abk h GLU 183 CO 0.03 0.04 0.87 0.00 -1.16 0.00 0.00 179.01 178.79 3abk s ALA 184 N -3.58 3.73 -0.65 3.43 0.00 0.89 -4.90 121.76 120.68 3abk s ALA 184 Ca 0.02 1.53 0.25 0.00 0.00 0.00 0.00 51.96 53.76 3abk s ALA 184 Cb 0.08 -3.63 0.88 0.00 0.00 0.00 0.00 23.12 20.45 3abk s ALA 184 CO 0.58 -0.94 1.76 -0.35 0.00 0.00 0.00 175.76 176.81 3abk n PRO 185 N 2.24 0.23 -4.07 0.00 -0.04 -1.26 -4.79 135.00 127.30 3abk n PRO 185 Ca 0.08 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.61 3abk n PRO 185 Cb 0.38 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 3abk n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3abk s PHE 186 N -3.18 3.21 0.41 0.54 -0.12 -1.26 -5.03 117.98 112.55 3abk s PHE 186 Ca 0.08 -0.08 0.03 0.00 -0.05 0.00 0.00 56.93 56.92 3abk s PHE 186 Cb 0.11 -1.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.02 3abk s PHE 186 CO 0.52 0.50 0.09 0.95 -0.05 0.00 0.00 175.22 177.23 3abk s THR 187 N -2.08 0.86 0.38 -4.49 -4.23 -1.26 -5.01 115.64 99.80 3abk s THR 187 Ca 0.33 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.13 3abk s THR 187 Cb -0.08 -2.42 0.31 0.00 1.34 0.00 0.00 72.50 71.65 3abk s THR 187 CO 0.26 0.00 2.07 -0.29 -0.54 0.00 0.00 174.62 176.12 3abk h ILE 188 N 1.77 0.45 -0.13 2.99 2.10 -1.95 -1.46 117.51 121.29 3abk h ILE 188 Ca -0.38 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3abk h ILE 188 Cb 1.27 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.38 3abk h ILE 188 CO 0.63 0.10 0.00 -1.54 -1.08 0.00 0.00 178.15 176.27 3abk n SER 189 N -3.51 1.44 -3.68 2.19 3.41 -1.26 -3.45 113.62 108.76 3abk n SER 189 Ca -0.01 -1.64 -0.41 0.00 -0.26 0.00 0.00 58.87 56.54 3abk n SER 189 Cb 0.25 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3abk n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3abk n ASP 190 N 0.16 5.27 -0.19 4.04 8.00 -0.55 -4.96 116.55 128.33 3abk n ASP 190 Ca 0.16 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.78 3abk n ASP 190 Cb 0.30 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 3abk n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3abk n GLY 191 N 3.51 0.31 0.20 0.44 0.00 -1.26 -2.41 105.19 105.97 3abk n GLY 191 Ca 0.54 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3abk n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3abk h VAL 192 N 0.00 0.00 0.77 1.61 3.04 -1.93 -0.64 116.25 119.11 3abk h VAL 192 Ca 0.00 -0.70 -0.04 0.00 -1.01 0.00 0.00 66.70 64.95 3abk h VAL 192 Cb 0.00 1.67 0.01 0.00 -2.01 0.00 0.00 31.29 30.96 3abk h VAL 192 CO 0.00 0.00 -0.37 0.22 -1.01 0.00 0.00 177.57 176.41 3abk h TYR 193 N 0.00 -0.96 -0.93 3.17 3.20 -1.96 -1.00 116.97 118.48 3abk h TYR 193 Ca 0.00 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.90 3abk h TYR 193 Cb 0.77 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 3abk h TYR 193 CO 0.00 -0.58 0.61 0.78 -1.64 0.00 0.00 178.16 177.32 3abk h GLY 194 N -1.21 1.36 0.90 1.82 0.00 -1.19 -1.44 103.07 103.31 3abk h GLY 194 Ca -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 3abk h GLY 194 CO 0.17 0.36 -0.42 1.76 0.00 0.00 0.00 176.54 178.41 3abk h SER 195 N 1.12 -1.01 -0.54 0.19 0.02 -1.10 -0.94 113.55 111.31 3abk h SER 195 Ca 0.39 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 3abk h SER 195 Cb 0.10 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3abk h SER 195 CO -0.13 -0.66 0.32 0.71 -1.14 0.00 0.00 176.83 175.93 3abk h THR 196 N -1.30 1.05 0.46 -2.27 1.35 -1.22 -0.27 112.91 110.71 3abk h THR 196 Ca -0.12 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 3abk h THR 196 Cb 0.91 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 3abk h THR 196 CO 0.20 0.12 -0.37 0.15 -0.25 0.00 0.00 175.52 175.37 3abk h PHE 197 N 0.64 -0.99 -0.06 4.73 3.57 -1.19 -1.97 116.94 121.66 3abk h PHE 197 Ca 0.22 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.51 3abk h PHE 197 Cb 0.02 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3abk h PHE 197 CO -0.06 -0.53 -0.82 0.74 -2.23 0.00 0.00 178.31 175.41 3abk h PHE 198 N -0.82 0.66 0.18 0.41 -1.00 -1.13 -0.62 116.94 114.61 3abk h PHE 198 Ca -0.05 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.41 3abk h PHE 198 Cb 0.71 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.18 3abk h PHE 198 CO -0.17 1.11 -0.09 0.28 -1.61 0.00 0.00 178.31 177.83 3abk h VAL 199 N 0.30 0.93 0.17 -0.55 2.07 -1.08 0.56 116.25 118.66 3abk h VAL 199 Ca -0.05 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3abk h VAL 199 Cb 1.42 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3abk h VAL 199 CO 0.15 0.18 -0.21 0.00 0.02 0.00 0.00 177.57 177.71 3abk h ALA 200 N 0.03 -0.40 0.00 1.67 0.00 -1.41 -0.97 119.26 118.19 3abk h ALA 200 Ca -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3abk h ALA 200 Cb 0.48 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3abk h ALA 200 CO 0.04 -0.75 -0.36 1.79 0.00 0.00 0.00 179.25 179.97 3abk h THR 201 N -0.43 1.12 -0.15 0.00 1.35 -1.16 -0.94 112.91 112.70 3abk h THR 201 Ca 0.01 -1.28 -0.21 0.00 -0.55 0.00 0.00 66.41 64.38 3abk h THR 201 Cb 0.42 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3abk h THR 201 CO -0.07 0.35 -0.73 1.23 -0.25 0.00 0.00 175.52 176.05 3abk h GLY 202 N 1.29 0.77 1.93 5.82 0.00 0.36 0.21 103.07 113.46 3abk h GLY 202 Ca -0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 47.33 46.12 3abk h GLY 202 CO 0.05 0.94 -0.68 0.74 0.00 0.00 0.00 176.54 177.59 3abk h PHE 203 N 0.49 0.09 -0.48 5.60 0.04 -0.97 -1.29 116.94 120.42 3abk h PHE 203 Ca -0.04 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 3abk h PHE 203 Cb 1.34 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.46 3abk h PHE 203 CO 0.07 0.72 0.00 1.25 -0.60 0.00 0.00 178.31 179.76 3abk h HIS 204 N 0.05 0.93 -0.46 -0.55 2.76 -0.92 -1.49 115.15 115.47 3abk h HIS 204 Ca -0.01 -0.16 0.06 0.00 -2.20 0.00 0.00 60.37 58.06 3abk h HIS 204 Cb 1.20 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 3abk h HIS 204 CO 0.01 0.88 0.16 0.78 -1.30 0.00 0.00 177.93 178.45 3abk h GLY 205 N 0.71 0.60 0.44 5.26 0.00 -0.19 0.02 103.07 109.90 3abk h GLY 205 Ca 0.14 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.45 3abk h GLY 205 CO 0.02 0.01 0.07 -2.00 0.00 0.00 0.00 176.54 174.65 3abk h LEU 206 N 0.33 -0.03 -1.61 3.11 5.85 -1.11 -1.30 115.31 120.55 3abk h LEU 206 Ca 0.22 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 3abk h LEU 206 Cb 0.22 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3abk h LEU 206 CO -0.22 0.02 -0.19 0.45 -0.34 0.00 0.00 178.44 178.16 3abk h HIS 207 N 0.19 0.01 -0.46 1.25 3.86 -0.10 -0.52 115.15 119.39 3abk h HIS 207 Ca 0.21 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.28 3abk h HIS 207 Cb 0.27 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3abk h HIS 207 CO -0.22 0.20 -0.23 0.28 0.86 0.00 0.00 177.93 178.82 3abk h VAL 208 N 0.01 1.27 -0.55 2.45 2.07 -0.48 0.49 116.25 121.51 3abk h VAL 208 Ca 0.00 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.06 3abk h VAL 208 Cb 0.34 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3abk h VAL 208 CO 0.02 0.48 0.08 0.40 0.02 0.00 0.00 177.57 178.57 3abk h ILE 209 N 0.81 1.26 -0.43 4.57 2.04 -0.84 -0.02 117.51 124.89 3abk h ILE 209 Ca 0.10 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 3abk h ILE 209 Cb 0.81 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3abk h ILE 209 CO 0.07 0.35 0.08 0.40 0.00 0.00 0.00 178.15 179.05 3abk h ILE 210 N 0.81 1.24 -0.55 -0.67 2.04 -0.96 -1.98 117.51 117.43 3abk h ILE 210 Ca 0.17 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3abk h ILE 210 Cb 0.42 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3abk h ILE 210 CO 0.01 0.30 0.06 1.23 0.00 0.00 0.00 178.15 179.75 3abk h GLY 211 N 0.57 0.97 1.28 5.37 0.00 -0.63 -1.24 103.07 109.39 3abk h GLY 211 Ca 0.13 -0.63 -0.18 0.00 0.00 0.00 0.00 47.33 46.65 3abk h GLY 211 CO 0.01 0.58 -0.60 1.76 0.00 0.00 0.00 176.54 178.29 3abk h SER 212 N 0.84 0.84 -0.82 0.19 0.02 -0.85 -1.14 113.55 112.62 3abk h SER 212 Ca 0.17 -0.47 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3abk h SER 212 Cb 0.42 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3abk h SER 212 CO 0.01 1.24 0.53 0.74 -1.14 0.00 0.00 176.83 178.22 3abk h THR 213 N 0.56 1.16 -0.65 -2.27 2.02 -1.20 0.22 112.91 112.74 3abk h THR 213 Ca -0.00 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3abk h THR 213 Cb 1.19 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3abk h THR 213 CO 0.12 0.19 0.18 0.15 0.37 0.00 0.00 175.52 176.54 3abk h PHE 214 N 1.05 1.04 0.00 3.16 3.04 -0.88 -1.07 116.94 123.29 3abk h PHE 214 Ca 0.32 -0.10 -0.23 0.00 3.98 0.00 0.00 57.97 61.94 3abk h PHE 214 Cb -0.04 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.17 3abk h PHE 214 CO -0.02 0.84 -0.95 -0.07 -2.02 0.00 0.00 178.31 176.09 3abk h LEU 215 N 0.97 0.54 -0.63 0.59 3.38 -0.65 -1.22 115.31 118.29 3abk h LEU 215 Ca 0.21 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3abk h LEU 215 Cb 0.31 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3abk h LEU 215 CO -0.00 1.24 0.34 0.40 0.09 0.00 0.00 178.44 180.50 3abk h ILE 216 N 0.23 1.20 0.14 1.22 2.04 -0.12 0.11 117.51 122.34 3abk h ILE 216 Ca -0.08 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3abk h ILE 216 Cb 1.59 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3abk h ILE 216 CO 0.16 0.22 -0.19 0.58 0.00 0.00 0.00 178.15 178.93 3abk h VAL 217 N 0.86 0.58 -0.98 1.67 2.07 -1.04 -1.52 116.25 117.88 3abk h VAL 217 Ca 0.22 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.93 3abk h VAL 217 Cb 0.06 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 3abk h VAL 217 CO -0.03 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.17 3abk h PHE 219 N 0.69 -0.03 -0.28 0.00 3.57 0.09 0.66 116.94 121.64 3abk h PHE 219 Ca 0.54 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.97 3abk h PHE 219 Cb 0.94 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3abk h PHE 219 CO -0.00 -0.01 -0.14 0.74 -2.23 0.00 0.00 178.31 176.67 3abk h PHE 220 N -0.04 0.52 -0.55 0.41 0.04 -0.91 0.41 116.94 116.82 3abk h PHE 220 Ca -0.00 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 3abk h PHE 220 Cb 0.03 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3abk h PHE 220 CO -0.07 0.61 -0.03 0.00 -0.60 0.00 0.00 178.31 178.21 3abk h ARG 221 N 0.45 0.99 -0.31 1.51 3.08 -1.03 -2.57 114.38 116.50 3abk h ARG 221 Ca 0.08 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3abk h ARG 221 Cb 0.50 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3abk h ARG 221 CO 0.03 1.00 0.19 0.37 -1.07 0.00 0.00 179.97 180.50 3abk h GLN 222 N 0.86 0.42 -0.85 0.04 5.75 -0.46 -1.33 115.11 119.54 3abk h GLN 222 Ca 0.15 -0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.80 3abk h GLN 222 Cb 0.58 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.98 3abk h GLN 222 CO 0.03 0.31 0.57 -0.07 -2.65 0.00 0.00 178.83 177.02 3abk h LEU 223 N 0.40 0.39 -2.03 -2.39 3.38 -0.68 -0.28 115.31 114.10 3abk h LEU 223 Ca 0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3abk h LEU 223 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3abk h LEU 223 CO -0.02 0.17 0.00 0.29 0.09 0.00 0.00 178.44 178.97 3abk n LYS 224 N -4.49 2.63 -2.07 1.13 5.02 -0.99 -4.95 118.16 114.45 3abk n LYS 224 Ca 0.18 -1.69 -0.14 0.00 -2.02 0.00 0.00 58.31 54.63 3abk n LYS 224 Cb 0.65 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3abk n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3abk n PHE 225 N 0.57 -0.52 -0.13 2.13 3.01 -0.12 -4.91 117.46 117.50 3abk n PHE 225 Ca 0.15 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.55 3abk n PHE 225 Cb 0.58 -2.94 0.11 0.00 -0.01 0.00 0.00 39.48 37.23 3abk n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3abk h HIS 226 N 0.00 0.92 -3.54 1.38 3.86 -1.46 -3.44 115.15 112.87 3abk h HIS 226 Ca -0.33 -0.16 -0.52 0.00 -1.16 0.00 0.00 60.37 58.20 3abk h HIS 226 Cb 1.18 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.38 3abk h HIS 226 CO 0.39 0.87 0.30 -0.06 0.86 0.00 0.00 177.93 180.29 3abk s PHE 227 N -4.90 3.80 0.51 2.45 0.08 -1.26 -4.95 117.98 113.72 3abk s PHE 227 Ca -0.10 1.72 0.06 0.00 0.12 0.00 0.00 56.93 58.72 3abk s PHE 227 Cb 0.14 -2.98 0.04 0.00 -0.57 0.00 0.00 43.02 39.65 3abk s PHE 227 CO 0.83 0.25 0.70 0.95 -0.10 0.00 0.00 175.22 177.85 3abk s THR 228 N -0.11 2.69 -0.79 0.64 -4.23 -0.67 -4.96 115.64 108.22 3abk s THR 228 Ca 0.44 -0.87 0.20 0.00 -1.18 0.00 0.00 61.69 60.28 3abk s THR 228 Cb -0.23 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 70.99 3abk s THR 228 CO 0.28 0.00 1.62 -1.54 -0.54 0.00 0.00 174.62 174.44 3abk n SER 229 N -2.14 0.31 -0.00 3.99 3.41 -1.26 -3.33 113.62 114.60 3abk n SER 229 Ca 0.10 0.57 0.02 0.00 -0.26 0.00 0.00 58.87 59.29 3abk n SER 229 Cb 0.60 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3abk n SER 229 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3abk n ASN 230 N -1.83 1.64 -3.77 4.04 2.85 -1.26 -4.22 115.26 112.71 3abk n ASN 230 Ca 0.03 -0.37 -0.29 0.00 -0.11 0.00 0.00 54.58 53.84 3abk n ASN 230 Cb 0.22 1.05 -0.15 0.00 1.24 0.00 0.00 39.78 42.14 3abk n ASN 230 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3abk s HIS 231 N -1.63 1.68 -0.40 1.20 2.46 -1.21 -4.97 115.29 112.42 3abk s HIS 231 Ca 0.00 -1.53 0.06 0.00 0.47 0.00 0.00 55.06 54.06 3abk s HIS 231 Cb 0.02 -1.54 0.31 0.00 -0.13 0.00 0.00 32.58 31.25 3abk s HIS 231 CO 0.13 -0.79 1.24 -2.39 -2.47 0.00 0.00 174.74 170.45 3abk n HIS 232 N 4.86 -2.11 -0.16 3.88 1.44 -1.26 -1.67 115.22 120.21 3abk n HIS 232 Ca -0.05 -1.70 -0.10 0.00 -2.01 0.00 0.00 57.72 53.85 3abk n HIS 232 Cb 0.44 1.51 0.02 0.00 0.12 0.00 0.00 29.99 32.08 3abk n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3abk h PHE 233 N 2.29 1.11 -0.90 -1.40 3.04 -1.97 -2.03 116.94 117.07 3abk h PHE 233 Ca -0.26 -0.26 0.08 0.00 3.98 0.00 0.00 57.97 61.52 3abk h PHE 233 Cb 1.21 -0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 3abk h PHE 233 CO 0.15 1.07 0.58 0.78 -2.02 0.00 0.00 178.31 178.87 3abk h GLY 234 N 0.90 1.32 0.91 2.40 0.00 -1.99 0.21 103.07 106.82 3abk h GLY 234 Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3abk h GLY 234 CO 0.06 0.24 -0.01 -2.75 0.00 0.00 0.00 176.54 174.08 3abk h PHE 235 N 0.95 0.66 -0.79 5.60 3.57 -1.86 -2.06 116.94 123.01 3abk h PHE 235 Ca 0.41 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3abk h PHE 235 Cb 0.32 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3abk h PHE 235 CO -0.00 0.73 0.38 0.93 -2.23 0.00 0.00 178.31 178.11 3abk h GLU 236 N 0.41 1.15 -0.84 1.11 5.08 -0.33 -1.10 114.58 120.04 3abk h GLU 236 Ca 0.09 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3abk h GLU 236 Cb 0.47 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3abk h GLU 236 CO 0.02 0.89 0.55 0.00 -1.00 0.00 0.00 179.01 179.47 3abk h ALA 237 N 1.20 1.09 -0.16 3.43 0.00 -0.67 -1.12 119.26 123.03 3abk h ALA 237 Ca 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3abk h ALA 237 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3abk h ALA 237 CO -0.03 0.42 -0.30 0.00 0.00 0.00 0.00 179.25 179.34 3abk h ALA 238 N 1.33 1.20 -0.08 0.00 0.00 -1.10 -1.38 119.26 119.23 3abk h ALA 238 Ca 0.32 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3abk h ALA 238 Cb -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3abk h ALA 238 CO -0.09 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 3abk h ALA 239 N 1.42 0.14 -0.47 0.00 0.00 -0.79 -0.75 119.26 118.81 3abk h ALA 239 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.62 3abk h ALA 239 Cb 0.67 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3abk h ALA 239 CO 0.05 0.14 0.04 -1.49 0.00 0.00 0.00 179.25 177.99 3abk h TRP 240 N -0.16 0.05 -0.48 0.00 6.55 -1.10 -0.59 115.95 120.22 3abk h TRP 240 Ca -0.01 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.81 3abk h TRP 240 Cb 0.88 0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 29.21 3abk h TRP 240 CO 0.12 -0.06 0.10 -0.92 -1.05 0.00 0.00 178.44 176.63 3abk h TYR 241 N 0.16 0.75 -0.40 0.49 3.20 -1.21 -0.48 116.97 119.48 3abk h TYR 241 Ca 0.23 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3abk h TYR 241 Cb 0.33 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3abk h TYR 241 CO -0.26 0.65 -0.04 2.35 -1.64 0.00 0.00 178.16 179.22 3abk h TRP 242 N 0.71 0.82 -0.87 -3.82 2.91 -0.49 -0.83 115.95 114.38 3abk h TRP 242 Ca 0.16 -0.16 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 3abk h TRP 242 Cb 0.29 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.70 3abk h TRP 242 CO 0.01 0.84 0.46 0.45 -1.03 0.00 0.00 178.44 179.17 3abk h HIS 243 N 0.56 1.22 -0.38 2.65 3.86 -0.97 -0.58 115.15 121.51 3abk h HIS 243 Ca 0.11 -0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 3abk h HIS 243 Cb 0.54 -0.38 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 3abk h HIS 243 CO 0.04 0.86 -0.10 0.35 0.86 0.00 0.00 177.93 179.94 3abk h PHE 244 N 1.23 -0.21 -0.16 2.45 3.04 -0.90 0.12 116.94 122.51 3abk h PHE 244 Ca 0.30 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.22 3abk h PHE 244 Cb 0.06 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 3abk h PHE 244 CO 0.01 -0.17 -0.21 0.28 -2.02 0.00 0.00 178.31 176.20 3abk h VAL 245 N -0.01 1.22 -0.15 1.41 2.07 -0.49 -1.73 116.25 118.57 3abk h VAL 245 Ca 0.18 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 3abk h VAL 245 Cb 0.28 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3abk h VAL 245 CO -0.39 0.32 -0.09 -0.78 0.02 0.00 0.00 177.57 176.65 3abk h ASP 246 N 0.25 0.34 -0.63 0.57 3.58 -0.54 -2.00 116.42 118.00 3abk h ASP 246 Ca 0.04 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 57.03 3abk h ASP 246 Cb 0.52 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 3abk h ASP 246 CO 0.03 0.69 0.27 0.58 -2.88 0.00 0.00 179.24 177.93 3abk h VAL 247 N -0.01 1.23 -0.57 2.25 2.07 -0.36 -1.68 116.25 119.19 3abk h VAL 247 Ca 0.03 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3abk h VAL 247 Cb 0.57 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3abk h VAL 247 CO 0.02 0.28 0.18 0.58 0.02 0.00 0.00 177.57 178.66 3abk h VAL 248 N 0.94 1.24 -0.52 2.57 2.07 -1.32 -1.24 116.25 119.99 3abk h VAL 248 Ca 0.22 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3abk h VAL 248 Cb 0.17 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 3abk h VAL 248 CO -0.02 0.30 0.21 -0.25 0.02 0.00 0.00 177.57 177.84 3abk h TRP 249 N 0.80 0.38 -0.62 1.57 2.91 -0.78 0.71 115.95 120.92 3abk h TRP 249 Ca 0.18 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 3abk h TRP 249 Cb 0.28 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.81 3abk h TRP 249 CO 0.02 0.14 0.29 -0.07 -1.03 0.00 0.00 178.44 177.79 3abk h LEU 250 N 0.41 0.82 -0.91 0.65 3.38 -0.60 0.31 115.31 119.38 3abk h LEU 250 Ca 0.25 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3abk h LEU 250 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3abk h LEU 250 CO -0.23 0.73 0.24 -0.26 0.09 0.00 0.00 178.44 179.02 3abk h PHE 251 N 0.86 1.06 0.12 1.13 -1.00 -0.57 -0.78 116.94 117.77 3abk h PHE 251 Ca 0.21 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 3abk h PHE 251 Cb 0.13 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.38 3abk h PHE 251 CO 0.00 0.83 -0.06 -0.07 -1.61 0.00 0.00 178.31 177.40 3abk h LEU 252 N 1.01 -0.14 -0.10 1.54 3.38 0.17 0.38 115.31 121.55 3abk h LEU 252 Ca 0.23 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3abk h LEU 252 Cb 0.24 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3abk h LEU 252 CO -0.01 0.04 -0.13 0.22 0.09 0.00 0.00 178.44 178.64 3abk h TYR 253 N -0.32 -0.34 -0.45 1.13 3.20 -0.27 0.13 116.97 120.05 3abk h TYR 253 Ca -0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3abk h TYR 253 Cb 0.26 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3abk h TYR 253 CO -0.02 -0.20 0.23 0.28 -1.64 0.00 0.00 178.16 176.81 3abk h VAL 254 N -0.18 1.18 0.30 1.81 2.07 -1.11 -0.54 116.25 119.78 3abk h VAL 254 Ca 0.08 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3abk h VAL 254 Cb 0.29 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3abk h VAL 254 CO -0.20 0.19 -0.15 0.28 0.02 0.00 0.00 177.57 177.71 3abk h SER 255 N 0.59 -0.34 0.07 0.57 0.02 -0.76 0.59 113.55 114.28 3abk h SER 255 Ca 0.16 0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.84 3abk h SER 255 Cb 0.10 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3abk h SER 255 CO -0.02 -0.10 -1.49 0.40 -1.14 0.00 0.00 176.83 174.47 3abk h ILE 256 N -0.70 0.89 0.17 3.27 2.04 -0.89 -0.18 117.51 122.11 3abk h ILE 256 Ca -0.04 -2.30 -0.31 0.00 1.00 0.00 0.00 64.86 63.20 3abk h ILE 256 Cb 0.31 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.90 3abk h ILE 256 CO 0.07 0.62 -1.48 1.88 0.00 0.00 0.00 178.15 179.24 3abk h TYR 257 N -0.46 0.64 0.00 1.37 0.05 -1.42 -3.18 116.97 113.97 3abk h TYR 257 Ca -0.35 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 57.97 3abk h TYR 257 Cb 1.66 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.38 3abk h TYR 257 CO 0.11 1.44 0.00 1.87 -1.05 0.00 0.00 178.16 180.53 3abk n TRP 258 N -3.56 0.00 -0.33 4.88 -0.00 -0.23 -3.93 117.44 114.27 3abk n TRP 258 Ca -0.16 0.00 0.18 0.00 -0.00 0.00 0.00 57.50 57.53 3abk n TRP 258 Cb 1.06 -0.04 0.42 0.00 -0.00 0.00 0.00 31.31 32.75 3abk n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 3abk h TRP 259 N 0.00 0.88 -0.30 5.87 7.01 -0.96 -1.74 115.95 126.71 3abk h TRP 259 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3abk h TRP 259 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3abk h TRP 259 CO 0.00 0.10 0.00 0.41 -2.79 0.00 0.00 178.44 176.16 3abk n GLY 260 N -1.38 0.56 0.37 2.65 0.00 -0.08 -5.00 105.19 102.30 3abk n GLY 260 Ca 0.25 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.02 3abk n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18