#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs3 s THR 2 N 0.00 2.06 0.27 3.17 -4.23 -1.26 -5.02 115.64 110.63 2bs3 s THR 2 Ca 0.00 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2bs3 s THR 2 Cb 0.00 -2.97 0.20 0.00 1.34 0.00 0.00 72.50 71.07 2bs3 s THR 2 CO 0.00 0.00 1.87 0.78 -0.54 0.00 0.00 174.62 176.73 2bs3 h ASN 3 N 1.66 0.94 -0.65 3.99 2.35 -2.05 -2.10 115.58 119.72 2bs3 h ASN 3 Ca -0.44 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.14 2bs3 h ASN 3 Cb 1.25 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2bs3 h ASN 3 CO 0.78 0.80 0.12 1.05 -1.65 0.00 0.00 177.43 178.52 2bs3 h GLU 4 N 1.04 1.08 0.00 0.81 9.09 -1.99 -0.67 114.58 123.94 2bs3 h GLU 4 Ca 0.25 -0.28 -0.11 0.00 0.05 0.00 0.00 59.36 59.28 2bs3 h GLU 4 Cb 0.10 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 27.05 2bs3 h GLU 4 CO -0.03 0.98 -0.51 0.66 0.05 0.00 0.00 179.01 180.15 2bs3 h SER 5 N 1.01 0.00 -0.11 3.06 4.64 -1.88 -1.07 113.55 119.20 2bs3 h SER 5 Ca 0.20 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 2bs3 h SER 5 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2bs3 h SER 5 CO 0.01 0.51 -0.15 0.40 -0.87 0.00 0.00 176.83 176.73 2bs3 h ILE 6 N 0.00 1.38 -0.73 0.95 2.04 -1.03 -1.17 117.51 118.95 2bs3 h ILE 6 Ca -0.01 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 2bs3 h ILE 6 Cb 0.92 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2bs3 h ILE 6 CO 0.07 0.40 0.43 -0.07 0.00 0.00 0.00 178.15 178.98 2bs3 h LEU 7 N -0.14 0.87 -0.28 1.44 3.38 -0.96 -1.03 115.31 118.60 2bs3 h LEU 7 Ca 0.01 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 2bs3 h LEU 7 Cb 0.71 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2bs3 h LEU 7 CO 0.04 0.68 -0.63 -0.08 0.09 0.00 0.00 178.44 178.53 2bs3 h GLU 8 N 1.01 0.80 -0.50 1.13 4.81 -1.15 -0.67 114.58 120.00 2bs3 h GLU 8 Ca 0.26 -0.56 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2bs3 h GLU 8 Cb -0.03 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2bs3 h GLU 8 CO -0.05 1.18 0.16 0.77 -0.73 0.00 0.00 179.01 180.35 2bs3 h SER 9 N 0.59 0.72 1.22 1.04 0.02 -0.79 0.24 113.55 116.59 2bs3 h SER 9 Ca -0.01 -0.20 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 2bs3 h SER 9 Cb 1.24 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2bs3 h SER 9 CO 0.13 0.73 -0.80 1.88 -1.14 0.00 0.00 176.83 177.64 2bs3 h TYR 10 N 0.68 0.00 0.00 3.45 -1.99 -1.20 -3.37 116.97 114.54 2bs3 h TYR 10 Ca 0.16 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.77 2bs3 h TYR 10 Cb 0.26 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2bs3 h TYR 10 CO 0.01 0.69 -2.02 -1.13 -0.00 0.00 0.00 178.16 175.71 2bs3 n SER 11 N -3.22 0.56 0.00 3.88 3.41 -0.26 -4.98 113.62 113.00 2bs3 n SER 11 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2bs3 n SER 11 Cb 0.82 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 66.31 2bs3 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bs3 n GLY 12 N 1.58 1.01 3.25 5.00 0.00 0.07 -5.02 105.19 111.07 2bs3 n GLY 12 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2bs3 n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bs3 s VAL 13 N -2.93 0.28 0.84 1.61 -7.23 -1.24 -4.74 120.40 106.98 2bs3 s VAL 13 Ca 0.00 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2bs3 s VAL 13 Cb 0.00 -2.51 0.10 0.00 0.56 0.00 0.00 36.38 34.53 2bs3 s VAL 13 CO 0.00 -0.06 1.16 0.42 -0.31 0.00 0.00 175.10 176.31 2bs3 s THR 14 N -3.96 2.05 0.66 5.32 -4.23 0.19 -3.65 115.64 112.03 2bs3 s THR 14 Ca 0.37 0.02 0.37 0.00 -1.18 0.00 0.00 61.69 61.26 2bs3 s THR 14 Cb 0.07 -2.92 0.37 0.00 1.34 0.00 0.00 72.50 71.37 2bs3 s THR 14 CO 0.12 -0.02 2.15 -0.65 -0.54 0.00 0.00 174.62 175.67 2bs3 h PRO 15 N -1.21 0.00 -0.27 3.99 0.11 -1.89 0.55 132.00 133.28 2bs3 h PRO 15 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bs3 h PRO 15 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2bs3 h PRO 15 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 2bs3 n GLU 16 N -3.02 1.97 -3.19 1.05 -0.58 -1.26 -4.94 120.64 110.68 2bs3 n GLU 16 Ca -0.02 -1.47 -0.15 0.00 -0.42 0.00 0.00 57.16 55.09 2bs3 n GLU 16 Cb 0.23 -1.41 0.06 0.00 -0.57 0.00 0.00 31.44 29.75 2bs3 n GLU 16 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2bs3 n ARG 17 N 0.69 -5.44 -4.29 3.49 0.63 0.19 -5.04 116.66 106.89 2bs3 n ARG 17 Ca 0.17 0.63 -0.16 0.00 -0.92 0.00 0.00 57.85 57.57 2bs3 n ARG 17 Cb 0.41 -5.05 -0.10 0.00 0.45 0.00 0.00 32.46 28.17 2bs3 n ARG 17 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2bs3 s LYS 18 N -5.44 1.17 0.39 -0.14 1.02 -1.25 -4.85 119.74 110.62 2bs3 s LYS 18 Ca 0.19 -1.48 -0.25 0.00 0.02 0.00 0.00 55.97 54.45 2bs3 s LYS 18 Cb -0.08 -0.85 -0.09 0.00 -0.52 0.00 0.00 37.83 36.28 2bs3 s LYS 18 CO 0.55 0.13 1.09 0.15 -0.92 0.00 0.00 175.35 176.35 2bs3 s LYS 19 N -3.59 4.18 0.53 1.68 1.02 -1.26 -0.64 119.74 121.66 2bs3 s LYS 19 Ca 0.18 1.63 -0.21 0.00 0.02 0.00 0.00 55.97 57.59 2bs3 s LYS 19 Cb 0.00 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 2bs3 s LYS 19 CO 0.03 -0.16 1.13 0.45 -0.92 0.00 0.00 175.35 175.88 2bs3 n SER 20 N 0.09 1.65 -0.51 2.83 2.88 -1.26 -4.86 113.62 114.45 2bs3 n SER 20 Ca 0.04 0.94 0.13 0.00 -1.33 0.00 0.00 58.87 58.65 2bs3 n SER 20 Cb 0.48 -1.45 0.32 0.00 -0.75 0.00 0.00 64.21 62.81 2bs3 n SER 20 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2bs3 n ARG 21 N -0.67 1.48 -0.32 -1.46 3.00 -1.26 -4.35 116.66 113.08 2bs3 n ARG 21 Ca 0.11 -1.02 -0.01 0.00 -0.01 0.00 0.00 57.85 56.92 2bs3 n ARG 21 Cb 0.44 -1.48 0.12 0.00 0.00 0.00 0.00 32.46 31.54 2bs3 n ARG 21 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2bs3 h MET 22 N 2.48 1.06 -0.84 5.56 2.86 -1.99 -2.09 114.93 121.96 2bs3 h MET 22 Ca 0.00 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2bs3 h MET 22 Cb 0.64 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 2bs3 h MET 22 CO 0.00 0.70 0.55 -1.35 1.06 0.00 0.00 176.91 177.87 2bs3 h PRO 23 N 1.09 0.91 -0.16 -0.22 0.11 -2.00 0.50 132.00 132.24 2bs3 h PRO 23 Ca 0.35 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 2bs3 h PRO 23 Cb 0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 2bs3 h PRO 23 CO -0.12 0.60 0.01 0.00 -0.21 0.00 0.00 178.00 178.28 2bs3 h ALA 24 N 1.54 0.22 -0.78 -0.75 0.00 -1.70 -1.93 119.26 115.86 2bs3 h ALA 24 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2bs3 h ALA 24 Cb 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2bs3 h ALA 24 CO -0.13 -0.09 0.43 0.87 0.00 0.00 0.00 179.25 180.33 2bs3 h LYS 25 N 0.04 1.09 -0.43 0.00 1.57 -0.83 -1.13 116.57 116.89 2bs3 h LYS 25 Ca 0.05 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2bs3 h LYS 25 Cb 0.36 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2bs3 h LYS 25 CO 0.01 0.81 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.62 2bs3 h LEU 26 N 1.09 0.67 -0.40 2.94 3.38 -0.86 -0.61 115.31 121.52 2bs3 h LEU 26 Ca 0.27 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2bs3 h LEU 26 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2bs3 h LEU 26 CO -0.04 0.74 -0.12 -0.78 0.09 0.00 0.00 178.44 178.33 2bs3 h ASP 27 N 0.66 0.79 0.22 -0.43 3.58 -0.85 -1.02 116.42 119.37 2bs3 h ASP 27 Ca 0.13 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2bs3 h ASP 27 Cb 0.42 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2bs3 h ASP 27 CO 0.02 0.98 -0.11 -0.25 -2.88 0.00 0.00 179.24 177.00 2bs3 h TRP 28 N 0.59 -0.28 -0.13 0.28 7.01 -0.86 -2.61 115.95 119.95 2bs3 h TRP 28 Ca 0.10 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.05 2bs3 h TRP 28 Cb 0.65 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 2bs3 h TRP 28 CO 0.05 -0.13 -0.13 -1.49 -2.79 0.00 0.00 178.44 173.96 2bs3 h TRP 29 N -0.36 0.21 -0.32 2.65 4.06 -1.09 0.71 115.95 121.81 2bs3 h TRP 29 Ca -0.03 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2bs3 h TRP 29 Cb 0.28 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 2bs3 h TRP 29 CO -0.04 0.34 0.10 0.37 -3.56 0.00 0.00 178.44 175.64 2bs3 h GLN 30 N 0.20 0.50 -0.34 0.49 4.15 -1.04 -0.88 115.11 118.18 2bs3 h GLN 30 Ca 0.04 -0.11 -0.14 0.00 0.77 0.00 0.00 58.65 59.21 2bs3 h GLN 30 Cb 0.36 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2bs3 h GLN 30 CO 0.02 0.54 -0.37 0.77 -1.93 0.00 0.00 178.83 177.87 2bs3 h SER 31 N 0.36 0.83 -0.24 -0.69 0.02 -1.07 -1.97 113.55 110.79 2bs3 h SER 31 Ca 0.10 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2bs3 h SER 31 Cb 0.26 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2bs3 h SER 31 CO -0.00 1.11 0.10 0.00 -1.14 0.00 0.00 176.83 176.89 2bs3 h ALA 32 N 0.93 0.31 -0.36 3.77 0.00 -0.72 0.13 119.26 123.32 2bs3 h ALA 32 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2bs3 h ALA 32 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2bs3 h ALA 32 CO 0.08 -0.10 -0.06 1.79 0.00 0.00 0.00 179.25 180.96 2bs3 h THR 33 N 0.24 1.23 -0.34 0.00 1.35 -1.16 -1.16 112.91 113.06 2bs3 h THR 33 Ca 0.08 -0.97 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 2bs3 h THR 33 Cb 0.17 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2bs3 h THR 33 CO -0.01 0.33 -0.01 1.23 -0.25 0.00 0.00 175.52 176.81 2bs3 h GLY 34 N 0.92 0.66 0.98 5.82 0.00 -0.93 -2.13 103.07 108.39 2bs3 h GLY 34 Ca 0.11 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2bs3 h GLY 34 CO 0.02 0.45 0.21 -2.00 0.00 0.00 0.00 176.54 175.23 2bs3 h LEU 35 N 0.42 0.43 -0.09 3.11 5.85 -0.44 -0.63 115.31 123.97 2bs3 h LEU 35 Ca 0.10 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2bs3 h LEU 35 Cb 0.47 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2bs3 h LEU 35 CO 0.02 0.37 -0.12 0.15 -0.34 0.00 0.00 178.44 178.52 2bs3 h PHE 36 N 0.46 -0.29 -0.74 1.25 3.57 -1.12 -1.19 116.94 118.88 2bs3 h PHE 36 Ca 0.13 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2bs3 h PHE 36 Cb 0.02 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2bs3 h PHE 36 CO -0.03 -0.18 0.34 -0.07 -2.23 0.00 0.00 178.31 176.14 2bs3 h LEU 37 N -0.15 0.96 -0.30 0.59 3.38 -1.20 0.36 115.31 118.94 2bs3 h LEU 37 Ca 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2bs3 h LEU 37 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2bs3 h LEU 37 CO -0.18 0.82 0.08 1.23 0.09 0.00 0.00 178.44 180.48 2bs3 h GLY 38 N 1.10 0.52 0.78 0.83 0.00 -0.69 -1.17 103.07 104.44 2bs3 h GLY 38 Ca 0.25 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 2bs3 h GLY 38 CO -0.03 0.30 -0.12 1.41 0.00 0.00 0.00 176.54 178.10 2bs3 h LEU 39 N 0.33 0.41 -0.68 3.11 3.38 -1.08 -2.98 115.31 117.80 2bs3 h LEU 39 Ca 0.10 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.76 2bs3 h LEU 39 Cb 0.28 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 2bs3 h LEU 39 CO 0.00 0.77 0.17 0.15 0.09 0.00 0.00 178.44 179.61 2bs3 h PHE 40 N 0.06 0.26 -0.43 1.13 3.57 -0.86 -0.83 116.94 119.83 2bs3 h PHE 40 Ca 0.03 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2bs3 h PHE 40 Cb 0.63 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2bs3 h PHE 40 CO 0.07 -0.05 0.20 0.52 -2.23 0.00 0.00 178.31 176.83 2bs3 h MET 41 N 0.28 0.60 -0.13 1.11 2.86 -1.13 0.91 114.93 119.44 2bs3 h MET 41 Ca 0.37 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 2bs3 h MET 41 Cb 0.59 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2bs3 h MET 41 CO -0.45 0.48 0.04 0.82 1.06 0.00 0.00 176.91 178.85 2bs3 h ILE 42 N 0.61 1.19 -0.70 -1.22 2.04 -1.01 -0.61 117.51 117.81 2bs3 h ILE 42 Ca 0.15 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2bs3 h ILE 42 Cb 0.08 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2bs3 h ILE 42 CO -0.02 0.17 0.36 1.23 0.00 0.00 0.00 178.15 179.89 2bs3 h GLY 43 N 0.01 1.06 0.46 5.37 0.00 -1.08 -2.48 103.07 106.41 2bs3 h GLY 43 Ca 0.04 -0.50 0.09 0.00 0.00 0.00 0.00 47.33 46.96 2bs3 h GLY 43 CO -0.00 0.48 0.32 0.84 0.00 0.00 0.00 176.54 178.18 2bs3 h HIS 44 N 0.96 0.57 -0.25 5.60 -0.00 -0.54 -1.01 115.15 120.48 2bs3 h HIS 44 Ca 0.24 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 2bs3 h HIS 44 Cb 0.08 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2bs3 h HIS 44 CO 0.00 0.20 -0.05 0.52 -0.00 0.00 0.00 177.93 178.60 2bs3 h MET 45 N 0.55 0.39 -0.06 5.26 2.07 -0.66 -1.19 114.93 121.28 2bs3 h MET 45 Ca 0.33 -0.08 -0.16 0.00 -2.07 0.00 0.00 59.70 57.72 2bs3 h MET 45 Cb 0.36 -0.06 0.01 0.00 -1.87 0.00 0.00 31.60 30.04 2bs3 h MET 45 CO -0.27 0.46 -0.60 0.74 1.07 0.00 0.00 176.91 178.31 2bs3 h PHE 46 N 0.37 0.73 -0.51 -0.22 0.04 -1.04 -2.70 116.94 113.61 2bs3 h PHE 46 Ca 0.08 -0.35 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 2bs3 h PHE 46 Cb 0.33 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2bs3 h PHE 46 CO 0.01 1.15 0.18 0.35 -0.60 0.00 0.00 178.31 179.40 2bs3 h PHE 47 N 0.10 0.79 0.00 -0.55 3.57 -1.07 -2.80 116.94 116.98 2bs3 h PHE 47 Ca -0.06 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2bs3 h PHE 47 Cb 1.27 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 2bs3 h PHE 47 CO 0.12 0.67 -0.11 0.28 -2.23 0.00 0.00 178.31 177.05 2bs3 h VAL 48 N 0.68 0.23 -0.00 1.41 2.07 -1.31 -3.02 116.25 116.30 2bs3 h VAL 48 Ca 0.17 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2bs3 h VAL 48 Cb 0.23 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2bs3 h VAL 48 CO -0.01 0.10 -0.12 -1.54 0.02 0.00 0.00 177.57 176.02 2bs3 n SER 49 N -3.18 0.43 0.18 0.57 3.41 -1.02 -3.78 113.62 110.22 2bs3 n SER 49 Ca 0.02 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.28 2bs3 n SER 49 Cb 0.44 -0.09 0.63 0.00 -0.26 0.00 0.00 64.21 64.93 2bs3 n SER 49 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2bs3 h THR 50 N 0.48 0.00 0.00 6.66 1.35 -1.44 0.00 112.91 119.96 2bs3 h THR 50 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2bs3 h THR 50 Cb 0.37 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2bs3 h THR 50 CO 0.00 0.00 -0.01 -0.29 -0.25 0.00 0.00 175.52 174.97 2bs3 h ILE 51 N 0.00 0.50 0.00 6.82 6.09 -1.82 0.13 117.51 129.22 2bs3 h ILE 51 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 2bs3 h ILE 51 Cb 0.02 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.32 2bs3 h ILE 51 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 178.15 175.01 2bs3 h LEU 52 N 0.00 0.00 -1.03 2.19 3.38 -1.30 -2.75 115.31 115.80 2bs3 h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bs3 h LEU 52 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bs3 h LEU 52 CO 0.00 0.00 -0.24 0.18 0.09 0.00 0.00 178.44 178.47 2bs3 n LEU 53 N -2.50 1.84 0.00 1.67 4.77 0.45 -5.04 117.00 118.20 2bs3 n LEU 53 Ca 0.03 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2bs3 n LEU 53 Cb 0.32 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2bs3 n LEU 53 CO 0.25 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2bs3 n GLY 54 N 1.34 3.38 0.31 -0.72 0.00 -1.04 -4.66 105.19 103.80 2bs3 n GLY 54 Ca 0.13 -1.73 0.02 0.00 0.00 0.00 0.00 46.02 44.44 2bs3 n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bs3 h ASP 55 N 0.00 0.71 -0.03 1.61 3.45 -1.87 -1.18 116.42 119.11 2bs3 h ASP 55 Ca 0.00 0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.47 2bs3 h ASP 55 Cb 0.00 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2bs3 h ASP 55 CO 0.00 0.42 -0.05 0.78 -1.57 0.00 0.00 179.24 178.82 2bs3 h ASN 56 N 0.83 0.20 0.59 6.45 2.35 -1.95 -0.61 115.58 123.43 2bs3 h ASN 56 Ca 0.39 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 2bs3 h ASN 56 Cb 0.31 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.64 2bs3 h ASN 56 CO -0.23 0.28 -0.28 0.58 -1.65 0.00 0.00 177.43 176.13 2bs3 h VAL 57 N 0.21 0.00 -0.27 2.81 2.07 -1.49 -1.54 116.25 118.04 2bs3 h VAL 57 Ca 0.05 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2bs3 h VAL 57 Cb 0.23 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2bs3 h VAL 57 CO 0.01 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.62 2bs3 h MET 58 N -1.12 0.40 -0.67 1.57 -0.00 -1.49 -0.92 114.93 112.70 2bs3 h MET 58 Ca -0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.70 59.54 2bs3 h MET 58 Cb 0.61 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.60 32.10 2bs3 h MET 58 CO 0.13 0.42 0.39 1.25 -0.00 0.00 0.00 176.91 179.11 2bs3 h LEU 59 N 0.40 0.81 -0.48 -0.10 5.85 -1.13 0.34 115.31 121.00 2bs3 h LEU 59 Ca 0.09 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2bs3 h LEU 59 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2bs3 h LEU 59 CO 0.00 0.65 0.01 -0.25 -0.34 0.00 0.00 178.44 178.51 2bs3 h TRP 60 N 0.91 0.91 -0.59 1.25 7.01 -0.30 -1.98 115.95 123.16 2bs3 h TRP 60 Ca 0.24 -0.15 -0.07 0.00 2.11 0.00 0.00 58.89 61.02 2bs3 h TRP 60 Cb -0.01 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 2bs3 h TRP 60 CO -0.01 0.86 0.11 0.28 -2.79 0.00 0.00 178.44 176.89 2bs3 h VAL 61 N 0.70 1.26 -0.81 2.65 2.07 -0.73 -2.64 116.25 118.74 2bs3 h VAL 61 Ca 0.14 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2bs3 h VAL 61 Cb 0.49 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2bs3 h VAL 61 CO 0.02 0.36 0.54 0.74 0.02 0.00 0.00 177.57 179.25 2bs3 h THR 62 N 0.87 1.20 0.00 2.57 2.02 -0.14 -2.22 112.91 117.21 2bs3 h THR 62 Ca 0.18 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2bs3 h THR 62 Cb 0.40 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2bs3 h THR 62 CO 0.01 0.20 -0.28 0.11 0.37 0.00 0.00 175.52 175.93 2bs3 h LYS 63 N 1.10 0.00 -0.29 6.66 1.57 -1.16 -3.03 116.57 121.42 2bs3 h LYS 63 Ca 0.30 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 2bs3 h LYS 63 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2bs3 h LYS 63 CO -0.07 0.28 -0.31 0.87 -0.57 0.00 0.00 179.45 179.65 2bs3 h LYS 64 N 0.00 0.73 0.00 3.15 1.57 -1.04 -2.23 116.57 118.74 2bs3 h LYS 64 Ca -0.00 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2bs3 h LYS 64 Cb 0.63 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2bs3 h LYS 64 CO 0.04 1.01 -0.01 0.74 -0.57 0.00 0.00 179.45 180.65 2bs3 h PHE 65 N 0.48 0.00 -0.37 -1.35 0.05 -1.39 -0.15 116.94 114.20 2bs3 h PHE 65 Ca 0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.83 2bs3 h PHE 65 Cb 0.88 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.83 2bs3 h PHE 65 CO 0.07 0.01 0.00 0.39 -0.18 0.00 0.00 178.31 178.61 2bs3 n GLU 66 N -3.15 3.20 -3.32 1.51 1.02 -1.08 -4.56 120.64 114.25 2bs3 n GLU 66 Ca -0.01 -1.91 -0.16 0.00 -0.02 0.00 0.00 57.16 55.06 2bs3 n GLU 66 Cb 0.19 -1.87 0.05 0.00 -0.02 0.00 0.00 31.44 29.79 2bs3 n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2bs3 n LEU 67 N 0.47 -5.16 -0.22 -4.62 4.77 -0.07 -1.15 117.00 111.02 2bs3 n LEU 67 Ca 0.17 -0.69 -0.08 0.00 -0.03 0.00 0.00 56.01 55.38 2bs3 n LEU 67 Cb 0.76 -3.03 0.03 0.00 -2.33 0.00 0.00 43.42 38.85 2bs3 n LEU 67 CO 0.19 0.00 0.92 -0.78 -1.33 0.00 0.00 177.39 176.39 2bs3 h ASP 68 N -1.01 0.92 0.00 -1.43 1.82 -1.48 -0.92 116.42 114.32 2bs3 h ASP 68 Ca -0.53 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 55.88 2bs3 h ASP 68 Cb 1.28 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.05 2bs3 h ASP 68 CO 0.43 0.91 0.00 2.22 -1.61 0.00 0.00 179.24 181.18 2bs3 n PHE 69 N -4.35 0.00 0.00 0.28 1.16 -1.26 -3.15 117.46 110.13 2bs3 n PHE 69 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 2bs3 n PHE 69 Cb 0.24 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 2bs3 n PHE 69 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2bs3 n ILE 70 N -0.01 0.00 -4.37 1.97 5.41 -1.02 -5.10 119.36 116.23 2bs3 n ILE 70 Ca 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 2bs3 n ILE 70 Cb 0.15 -0.02 -0.12 0.00 -0.71 0.00 0.00 39.64 38.95 2bs3 n ILE 70 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2bs3 s PHE 71 N -1.02 2.08 0.00 1.39 0.40 -0.38 -5.07 117.98 115.38 2bs3 s PHE 71 Ca 0.00 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2bs3 s PHE 71 Cb 0.00 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.48 2bs3 s PHE 71 CO 0.00 0.39 0.00 -1.91 0.70 0.00 0.00 175.22 174.40 2bs3 n GLU 72 N 0.43 0.00 -0.53 0.44 2.13 -1.26 -3.00 120.64 118.85 2bs3 n GLU 72 Ca -0.14 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.73 2bs3 n GLU 72 Cb 0.56 -0.22 0.26 0.00 0.27 0.00 0.00 31.44 32.30 2bs3 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bs3 n GLY 73 N 0.00 2.26 0.17 8.31 0.00 -1.25 -4.90 105.19 109.78 2bs3 n GLY 73 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2bs3 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 74 N 0.57 -2.97 3.38 -0.02 0.00 -1.16 -4.26 105.19 100.72 2bs3 n GLY 74 Ca 0.18 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2bs3 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bs3 s LYS 75 N -4.47 3.22 0.57 1.61 1.02 -0.30 -4.42 119.74 116.97 2bs3 s LYS 75 Ca 0.00 -0.78 0.27 0.00 0.02 0.00 0.00 55.97 55.48 2bs3 s LYS 75 Cb 0.00 -3.42 1.60 0.00 -0.52 0.00 0.00 37.83 35.48 2bs3 s LYS 75 CO 0.00 -0.41 2.12 -1.35 -0.92 0.00 0.00 175.35 174.79 2bs3 h PRO 76 N 8.27 0.00 0.00 -1.68 0.11 -1.92 -1.40 132.00 135.39 2bs3 h PRO 76 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2bs3 h PRO 76 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2bs3 h PRO 76 CO 0.61 0.00 0.08 0.97 -0.21 0.00 0.00 178.00 179.44 2bs3 h ILE 77 N 0.00 0.00 -0.43 4.15 2.10 -1.95 0.44 117.51 121.82 2bs3 h ILE 77 Ca 0.08 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.97 2bs3 h ILE 77 Cb 0.41 0.86 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 2bs3 h ILE 77 CO -0.00 0.00 0.06 0.58 -1.08 0.00 0.00 178.15 177.71 2bs3 h VAL 78 N 0.00 1.25 0.00 2.19 2.07 -1.58 -2.08 116.25 118.09 2bs3 h VAL 78 Ca 0.00 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2bs3 h VAL 78 Cb 0.15 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2bs3 h VAL 78 CO 0.00 0.31 -0.28 0.58 0.02 0.00 0.00 177.57 178.21 2bs3 h VAL 79 N 0.57 1.10 -0.53 2.57 2.07 -1.10 -1.99 116.25 118.93 2bs3 h VAL 79 Ca 0.13 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 2bs3 h VAL 79 Cb 0.39 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2bs3 h VAL 79 CO 0.01 0.27 0.19 0.28 0.02 0.00 0.00 177.57 178.34 2bs3 h SER 80 N 0.00 0.75 -0.51 0.57 0.02 -1.18 0.15 113.55 113.34 2bs3 h SER 80 Ca -0.00 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 2bs3 h SER 80 Cb 0.52 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2bs3 h SER 80 CO 0.04 0.73 -0.16 -0.26 -1.14 0.00 0.00 176.83 176.04 2bs3 h PHE 81 N 0.72 1.15 -0.19 3.45 -1.00 -1.00 0.00 116.94 120.08 2bs3 h PHE 81 Ca 0.17 -0.26 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 2bs3 h PHE 81 Cb 0.23 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2bs3 h PHE 81 CO 0.01 1.08 0.12 1.25 -1.61 0.00 0.00 178.31 179.16 2bs3 h LEU 82 N 0.89 0.23 -0.72 1.54 7.12 -1.06 -0.68 115.31 122.64 2bs3 h LEU 82 Ca 0.13 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.06 2bs3 h LEU 82 Cb 0.73 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.77 2bs3 h LEU 82 CO 0.06 0.21 0.31 0.00 -0.13 0.00 0.00 178.44 178.88 2bs3 h ALA 83 N 1.04 0.93 -0.54 1.25 0.00 -0.56 -1.89 119.26 119.49 2bs3 h ALA 83 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bs3 h ALA 83 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2bs3 h ALA 83 CO -0.01 0.53 0.32 0.00 0.00 0.00 0.00 179.25 180.09 2bs3 h ALA 84 N 1.15 0.69 0.00 0.00 0.00 -0.66 0.01 119.26 120.45 2bs3 h ALA 84 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2bs3 h ALA 84 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bs3 h ALA 84 CO -0.02 0.17 -0.00 0.35 0.00 0.00 0.00 179.25 179.75 2bs3 h PHE 85 N 0.72 -0.00 -0.16 0.00 3.57 -0.82 -1.21 116.94 119.04 2bs3 h PHE 85 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2bs3 h PHE 85 Cb -0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2bs3 h PHE 85 CO -0.02 0.04 -0.05 0.28 -2.23 0.00 0.00 178.31 176.33 2bs3 h VAL 86 N -0.05 1.14 -0.55 1.41 2.07 -1.17 -1.91 116.25 117.19 2bs3 h VAL 86 Ca -0.00 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2bs3 h VAL 86 Cb 0.05 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2bs3 h VAL 86 CO 0.00 0.18 -0.03 0.15 0.02 0.00 0.00 177.57 177.89 2bs3 h PHE 87 N 0.24 1.10 -0.61 1.57 3.04 -0.54 0.27 116.94 122.01 2bs3 h PHE 87 Ca 0.05 -0.20 -0.04 0.00 3.98 0.00 0.00 57.97 61.76 2bs3 h PHE 87 Cb 0.24 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 2bs3 h PHE 87 CO 0.00 1.00 0.21 0.00 -2.02 0.00 0.00 178.31 177.51 2bs3 h ALA 88 N 0.95 0.80 -0.30 2.41 0.00 -0.49 -0.52 119.26 122.11 2bs3 h ALA 88 Ca 0.15 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2bs3 h ALA 88 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bs3 h ALA 88 CO 0.04 0.45 -0.36 0.28 0.00 0.00 0.00 179.25 179.65 2bs3 h VAL 89 N 0.86 1.29 -0.23 0.00 2.07 -1.23 -0.40 116.25 118.61 2bs3 h VAL 89 Ca 0.20 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.23 2bs3 h VAL 89 Cb 0.26 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2bs3 h VAL 89 CO -0.01 0.49 0.09 0.15 0.02 0.00 0.00 177.57 178.30 2bs3 h PHE 90 N 0.56 0.16 -0.37 1.57 3.57 -0.52 0.11 116.94 122.02 2bs3 h PHE 90 Ca 0.06 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2bs3 h PHE 90 Cb 0.88 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2bs3 h PHE 90 CO 0.04 0.08 -0.16 0.82 -2.23 0.00 0.00 178.31 176.85 2bs3 h ILE 91 N 0.20 1.28 -0.58 1.41 2.04 -0.94 -1.83 117.51 119.08 2bs3 h ILE 91 Ca 0.10 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 2bs3 h ILE 91 Cb 0.06 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2bs3 h ILE 91 CO -0.10 0.42 0.28 0.00 0.00 0.00 0.00 178.15 178.76 2bs3 h ALA 92 N 0.80 0.75 0.00 1.87 0.00 -0.82 -1.03 119.26 120.84 2bs3 h ALA 92 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bs3 h ALA 92 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bs3 h ALA 92 CO 0.05 0.32 -0.00 1.25 0.00 0.00 0.00 179.25 180.87 2bs3 h HIS 93 N 0.80 -0.00 -0.93 0.00 -0.00 -0.73 -1.94 115.15 112.34 2bs3 h HIS 93 Ca 0.20 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.61 2bs3 h HIS 93 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 2bs3 h HIS 93 CO -0.00 0.12 0.61 0.00 -0.00 0.00 0.00 177.93 178.66 2bs3 h ALA 94 N 0.88 1.42 -0.16 5.26 0.00 -1.19 0.25 119.26 125.71 2bs3 h ALA 94 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bs3 h ALA 94 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2bs3 h ALA 94 CO 0.00 0.49 0.09 0.35 0.00 0.00 0.00 179.25 180.18 2bs3 h PHE 95 N 1.15 0.22 -0.07 0.00 3.57 -0.99 -1.21 116.94 119.61 2bs3 h PHE 95 Ca 0.37 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.78 2bs3 h PHE 95 Cb 0.04 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2bs3 h PHE 95 CO -0.00 0.20 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.92 2bs3 h LEU 96 N 0.17 0.38 -1.31 0.59 3.38 -0.81 -3.30 115.31 114.41 2bs3 h LEU 96 Ca 0.06 -0.63 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 2bs3 h LEU 96 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2bs3 h LEU 96 CO -0.01 0.95 -0.34 0.00 0.09 0.00 0.00 178.44 179.13 2bs3 h ALA 97 N 0.44 1.34 -0.34 1.53 0.00 -0.56 -2.83 119.26 118.84 2bs3 h ALA 97 Ca -0.02 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.68 2bs3 h ALA 97 Cb 0.93 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2bs3 h ALA 97 CO 0.06 0.42 0.28 1.98 0.00 0.00 0.00 179.25 181.99 2bs3 h MET 98 N 0.00 0.00 -0.09 0.00 1.85 -1.29 -0.60 114.93 114.79 2bs3 h MET 98 Ca -0.00 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.11 2bs3 h MET 98 Cb 0.64 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.66 2bs3 h MET 98 CO 0.04 0.00 0.18 0.00 -0.40 0.00 0.00 176.91 176.73 2bs3 h ARG 99 N 0.00 0.00 -0.01 0.39 3.08 -1.65 -2.42 114.38 113.77 2bs3 h ARG 99 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2bs3 h ARG 99 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2bs3 h ARG 99 CO -0.00 0.00 -0.24 1.63 -1.07 0.00 0.00 179.97 180.29 2bs3 n LYS 100 N -3.41 0.89 -2.06 0.04 4.01 -0.23 -4.95 118.16 112.45 2bs3 n LYS 100 Ca -0.00 -0.53 -0.34 0.00 -0.51 0.00 0.00 58.31 56.92 2bs3 n LYS 100 Cb 0.27 -1.49 0.02 0.00 -0.51 0.00 0.00 35.03 33.32 2bs3 n LYS 100 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2bs3 s PHE 101 N -2.47 2.63 0.33 2.13 0.08 -0.91 -4.96 117.98 114.81 2bs3 s PHE 101 Ca 0.25 1.55 -0.29 0.00 0.12 0.00 0.00 56.93 58.56 2bs3 s PHE 101 Cb 0.19 -3.26 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 2bs3 s PHE 101 CO 0.51 -1.66 1.31 -2.14 -0.10 0.00 0.00 175.22 173.14 2bs3 s PRO 102 N -3.58 4.35 0.00 0.24 0.02 -1.26 -4.90 135.00 129.87 2bs3 s PRO 102 Ca 0.71 2.22 0.06 0.00 0.02 0.00 0.00 61.00 64.01 2bs3 s PRO 102 Cb -0.23 -3.07 0.07 0.00 0.02 0.00 0.00 34.50 31.29 2bs3 s PRO 102 CO 0.32 -0.20 0.78 1.51 -0.33 0.00 0.00 177.00 179.08 2bs3 n ILE 103 N 0.82 0.21 -4.00 2.83 0.13 -1.26 -4.87 119.36 113.22 2bs3 n ILE 103 Ca 0.00 -0.60 -0.09 0.00 -1.10 0.00 0.00 62.75 60.95 2bs3 n ILE 103 Cb 0.42 0.99 -0.06 0.00 -0.84 0.00 0.00 39.64 40.15 2bs3 n ILE 103 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2bs3 s ASN 104 N -0.59 -0.07 0.18 9.51 2.20 -1.26 -5.05 114.94 119.86 2bs3 s ASN 104 Ca 0.08 -0.94 -0.18 0.00 -0.94 0.00 0.00 52.86 50.87 2bs3 s ASN 104 Cb 0.05 0.55 0.12 0.00 -2.00 0.00 0.00 41.25 39.97 2bs3 s ASN 104 CO 0.07 -1.09 1.63 0.22 -2.94 0.00 0.00 177.10 175.00 2bs3 h TYR 105 N 2.31 -0.50 -0.23 1.54 3.20 -1.98 -0.54 116.97 120.77 2bs3 h TYR 105 Ca -0.28 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.69 2bs3 h TYR 105 Cb 1.25 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.76 2bs3 h TYR 105 CO 0.39 -0.28 -0.04 0.00 -1.64 0.00 0.00 178.16 176.59 2bs3 h ARG 106 N -0.11 0.02 -0.47 1.82 2.47 -1.99 0.22 114.38 116.34 2bs3 h ARG 106 Ca 0.21 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.92 2bs3 h ARG 106 Cb 0.44 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 2bs3 h ARG 106 CO -0.52 0.01 0.23 1.96 0.56 0.00 0.00 179.97 182.22 2bs3 h GLN 107 N 0.02 0.67 0.01 0.04 4.20 -1.87 -0.95 115.11 117.24 2bs3 h GLN 107 Ca 0.11 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2bs3 h GLN 107 Cb 0.16 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2bs3 h GLN 107 CO -0.22 0.56 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.57 2bs3 h TYR 108 N 0.62 -0.01 0.27 2.96 5.03 -0.76 -1.13 116.97 123.95 2bs3 h TYR 108 Ca 0.16 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 2bs3 h TYR 108 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2bs3 h TYR 108 CO -0.01 0.11 -0.13 1.25 -1.32 0.00 0.00 178.16 178.06 2bs3 h LEU 109 N -0.13 -0.30 -0.90 2.82 5.85 -0.47 -1.01 115.31 121.16 2bs3 h LEU 109 Ca -0.00 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2bs3 h LEU 109 Cb 0.12 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2bs3 h LEU 109 CO 0.00 -0.18 0.13 0.71 -0.34 0.00 0.00 178.44 178.76 2bs3 h THR 110 N -0.40 1.24 -0.18 1.05 1.35 -1.20 -0.74 112.91 114.05 2bs3 h THR 110 Ca -0.04 -0.90 -0.10 0.00 -0.55 0.00 0.00 66.41 64.82 2bs3 h THR 110 Cb 0.30 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 2bs3 h THR 110 CO 0.06 0.34 -0.28 0.15 -0.25 0.00 0.00 175.52 175.54 2bs3 h PHE 111 N 0.90 0.62 -0.70 4.73 3.04 -1.17 -1.15 116.94 123.21 2bs3 h PHE 111 Ca 0.19 -0.21 0.01 0.00 3.98 0.00 0.00 57.97 61.94 2bs3 h PHE 111 Cb 0.34 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.70 2bs3 h PHE 111 CO 0.02 0.91 0.46 -0.22 -2.02 0.00 0.00 178.31 177.46 2bs3 h LYS 112 N 0.14 0.90 -0.65 1.11 3.64 -1.06 0.14 116.57 120.79 2bs3 h LYS 112 Ca 0.02 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2bs3 h LYS 112 Cb 0.85 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2bs3 h LYS 112 CO 0.06 0.59 0.18 1.15 -2.27 0.00 0.00 179.45 179.16 2bs3 h THR 113 N 0.93 1.25 -0.48 1.00 2.02 -1.11 -2.24 112.91 114.28 2bs3 h THR 113 Ca 0.26 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 2bs3 h THR 113 Cb -0.07 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2bs3 h THR 113 CO -0.07 0.34 0.16 -0.74 0.37 0.00 0.00 175.52 175.59 2bs3 h HIS 114 N 0.95 0.76 -0.58 3.16 -0.00 -0.50 -1.24 115.15 117.70 2bs3 h HIS 114 Ca 0.21 -0.07 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 2bs3 h HIS 114 Cb 0.34 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 2bs3 h HIS 114 CO 0.02 0.66 0.34 -0.22 -0.00 0.00 0.00 177.93 178.74 2bs3 h LYS 115 N 0.64 0.65 -0.13 5.26 3.64 -0.53 0.77 116.57 126.88 2bs3 h LYS 115 Ca 0.16 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2bs3 h LYS 115 Cb 0.25 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2bs3 h LYS 115 CO -0.01 0.43 -0.53 -0.44 -2.27 0.00 0.00 179.45 176.64 2bs3 h ASP 116 N 0.67 0.40 -0.10 4.20 3.32 -1.24 -2.29 116.42 121.38 2bs3 h ASP 116 Ca 0.24 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2bs3 h ASP 116 Cb 0.05 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2bs3 h ASP 116 CO -0.11 0.85 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.91 2bs3 h LEU 117 N 0.28 0.43 -0.50 1.55 3.38 -0.85 -3.34 115.31 116.27 2bs3 h LEU 117 Ca 0.01 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.30 2bs3 h LEU 117 Cb 1.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2bs3 h LEU 117 CO 0.09 0.95 -0.00 0.24 0.09 0.00 0.00 178.44 179.80 2bs3 h MET 118 N -0.07 0.88 -6.21 1.13 2.86 -0.87 -3.47 114.93 109.18 2bs3 h MET 118 Ca -0.01 -0.28 -0.45 0.00 -2.06 0.00 0.00 59.70 56.90 2bs3 h MET 118 Cb 0.90 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.49 2bs3 h MET 118 CO 0.06 0.92 -0.80 0.54 1.06 0.00 0.00 176.91 178.69 2bs3 n ARG 119 N -4.32 -5.19 -3.64 1.72 1.74 -0.86 -4.92 116.66 101.18 2bs3 n ARG 119 Ca 0.01 0.60 -0.38 0.00 -0.77 0.00 0.00 57.85 57.31 2bs3 n ARG 119 Cb 0.32 -5.31 -0.12 0.00 -1.02 0.00 0.00 32.46 26.33 2bs3 n ARG 119 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2bs3 s HIS 120 N -3.50 3.17 0.14 -1.55 2.46 -1.26 -5.02 115.29 109.73 2bs3 s HIS 120 Ca 0.33 -0.18 -0.31 0.00 0.47 0.00 0.00 55.06 55.37 2bs3 s HIS 120 Cb -0.17 -2.34 -0.07 0.00 -0.13 0.00 0.00 32.58 29.87 2bs3 s HIS 120 CO 0.82 -0.28 1.56 0.78 -2.47 0.00 0.00 174.74 175.15 2bs3 h GLY 121 N 8.34 -0.86 2.00 1.59 0.00 -1.98 -0.55 103.07 111.61 2bs3 h GLY 121 Ca -0.35 0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2bs3 h GLY 121 CO 0.58 -0.13 -0.06 -0.55 0.00 0.00 0.00 176.54 176.38 2bs3 h ASP 122 N -0.36 0.00 0.09 0.19 3.32 -1.98 -0.11 116.42 117.57 2bs3 h ASP 122 Ca 0.10 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 2bs3 h ASP 122 Cb 0.59 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.15 2bs3 h ASP 122 CO -0.61 0.06 -0.66 0.74 -1.72 0.00 0.00 179.24 177.04 2bs3 h THR 123 N 0.00 1.52 -0.91 0.35 2.02 -1.82 -2.98 112.91 111.09 2bs3 h THR 123 Ca -0.00 -2.38 -0.00 0.00 0.77 0.00 0.00 66.41 64.80 2bs3 h THR 123 Cb 0.34 3.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 2bs3 h THR 123 CO 0.01 0.67 0.56 0.74 0.37 0.00 0.00 175.52 177.87 2bs3 h THR 124 N -0.37 1.25 -0.07 3.16 2.02 -0.74 -1.89 112.91 116.27 2bs3 h THR 124 Ca -0.11 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 2bs3 h THR 124 Cb 1.47 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2bs3 h THR 124 CO 0.13 0.25 -0.17 -0.07 0.37 0.00 0.00 175.52 176.03 2bs3 h LEU 125 N 1.25 0.10 -0.53 2.58 3.38 -1.08 -1.94 115.31 119.07 2bs3 h LEU 125 Ca 0.33 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 2bs3 h LEU 125 Cb -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2bs3 h LEU 125 CO -0.06 0.28 -0.35 -0.25 0.09 0.00 0.00 178.44 178.14 2bs3 h TRP 126 N 0.10 0.95 -0.70 1.13 7.01 -1.19 -0.94 115.95 122.30 2bs3 h TRP 126 Ca 0.02 -0.27 0.01 0.00 2.11 0.00 0.00 58.89 60.77 2bs3 h TRP 126 Cb 0.36 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 2bs3 h TRP 126 CO 0.00 1.04 0.46 2.35 -2.79 0.00 0.00 178.44 179.50 2bs3 h TRP 127 N 0.67 0.87 -0.74 2.65 2.91 -1.08 0.20 115.95 121.43 2bs3 h TRP 127 Ca 0.06 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 2bs3 h TRP 127 Cb 0.91 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 29.23 2bs3 h TRP 127 CO 0.05 0.53 0.29 0.82 -1.03 0.00 0.00 178.44 179.10 2bs3 h ILE 128 N 0.92 1.25 -0.29 2.65 2.04 -1.08 0.14 117.51 123.15 2bs3 h ILE 128 Ca 0.27 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2bs3 h ILE 128 Cb -0.07 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 2bs3 h ILE 128 CO -0.07 0.32 0.12 1.56 0.00 0.00 0.00 178.15 180.08 2bs3 h GLN 129 N 1.07 0.26 -0.30 2.37 4.20 0.13 -0.20 115.11 122.64 2bs3 h GLN 129 Ca 0.25 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2bs3 h GLN 129 Cb 0.21 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2bs3 h GLN 129 CO -0.02 0.17 0.09 0.00 -0.67 0.00 0.00 178.83 178.40 2bs3 h ALA 130 N 1.17 0.40 0.07 3.87 0.00 -0.50 -0.66 119.26 123.61 2bs3 h ALA 130 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bs3 h ALA 130 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bs3 h ALA 130 CO -0.11 0.04 -0.03 0.52 0.00 0.00 0.00 179.25 179.67 2bs3 h MET 131 N 0.33 -0.09 -0.12 0.00 2.86 -0.78 -1.17 114.93 115.98 2bs3 h MET 131 Ca 0.10 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2bs3 h MET 131 Cb 0.25 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2bs3 h MET 131 CO -0.00 0.03 -0.20 1.79 1.06 0.00 0.00 176.91 179.59 2bs3 h THR 132 N -0.19 1.20 -0.15 2.22 1.35 -1.05 -1.43 112.91 114.86 2bs3 h THR 132 Ca -0.01 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2bs3 h THR 132 Cb 0.16 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2bs3 h THR 132 CO 0.02 0.28 0.02 1.23 -0.25 0.00 0.00 175.52 176.82 2bs3 h GLY 133 N 0.83 0.27 1.00 5.82 0.00 -0.82 -1.75 103.07 108.43 2bs3 h GLY 133 Ca 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2bs3 h GLY 133 CO 0.03 0.17 0.42 -2.75 0.00 0.00 0.00 176.54 174.42 2bs3 h PHE 134 N 0.02 0.91 -0.58 5.60 3.57 -0.88 -2.57 116.94 123.01 2bs3 h PHE 134 Ca 0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2bs3 h PHE 134 Cb 0.32 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2bs3 h PHE 134 CO 0.02 0.61 0.26 0.00 -2.23 0.00 0.00 178.31 176.97 2bs3 h ALA 135 N 1.22 1.37 0.00 2.41 0.00 -1.16 -2.57 119.26 120.54 2bs3 h ALA 135 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bs3 h ALA 135 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2bs3 h ALA 135 CO -0.05 0.49 0.00 -1.33 0.00 0.00 0.00 179.25 178.36 2bs3 n MET 136 N -4.35 0.10 -0.28 0.00 2.81 -0.67 -2.15 117.12 112.59 2bs3 n MET 136 Ca 0.05 0.35 -0.02 0.00 -1.81 0.00 0.00 57.70 56.27 2bs3 n MET 136 Cb 0.14 -1.70 0.10 0.00 -0.71 0.00 0.00 33.22 31.05 2bs3 n MET 136 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2bs3 h PHE 137 N 0.00 0.91 0.11 2.03 0.04 -1.43 -0.74 116.94 117.87 2bs3 h PHE 137 Ca 0.00 0.03 -0.33 0.00 2.80 0.00 0.00 57.97 60.47 2bs3 h PHE 137 Cb 0.31 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2bs3 h PHE 137 CO 0.00 0.50 -1.75 0.74 -0.60 0.00 0.00 178.31 177.20 2bs3 h PHE 138 N 0.93 0.43 0.05 -0.55 -1.00 -1.61 -3.34 116.94 111.85 2bs3 h PHE 138 Ca 0.32 -0.31 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2bs3 h PHE 138 Cb 0.06 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2bs3 h PHE 138 CO -0.04 1.69 -0.02 -0.07 -1.61 0.00 0.00 178.31 178.26 2bs3 h LEU 139 N -0.16 -0.05 -0.89 1.54 3.38 -1.43 -3.30 115.31 114.40 2bs3 h LEU 139 Ca -0.38 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.02 2bs3 h LEU 139 Cb 1.88 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 2bs3 h LEU 139 CO 0.05 0.52 0.30 1.23 0.09 0.00 0.00 178.44 180.63 2bs3 h GLY 140 N -0.66 1.20 0.83 0.83 0.00 -1.36 -3.08 103.07 100.83 2bs3 h GLY 140 Ca -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.73 2bs3 h GLY 140 CO 0.01 0.60 0.63 1.76 0.00 0.00 0.00 176.54 179.54 2bs3 h SER 141 N 1.09 1.03 0.30 0.19 0.02 -1.68 -1.25 113.55 113.26 2bs3 h SER 141 Ca 0.25 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2bs3 h SER 141 Cb 0.20 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2bs3 h SER 141 CO -0.02 0.69 -0.19 0.58 -1.14 0.00 0.00 176.83 176.75 2bs3 h VAL 142 N 1.19 0.59 -0.39 2.27 2.07 -1.62 -2.05 116.25 118.32 2bs3 h VAL 142 Ca 0.39 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.90 2bs3 h VAL 142 Cb 0.05 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2bs3 h VAL 142 CO -0.14 0.00 0.19 -0.74 0.02 0.00 0.00 177.57 176.90 2bs3 h HIS 143 N -0.48 0.57 -0.74 1.57 6.17 -1.54 -2.89 115.15 117.81 2bs3 h HIS 143 Ca -0.03 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.02 2bs3 h HIS 143 Cb 0.40 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.12 2bs3 h HIS 143 CO -0.10 0.47 0.43 -0.07 0.71 0.00 0.00 177.93 179.38 2bs3 h LEU 144 N 0.50 0.90 -0.54 0.26 3.38 -1.18 -1.72 115.31 116.90 2bs3 h LEU 144 Ca 0.14 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2bs3 h LEU 144 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2bs3 h LEU 144 CO -0.02 0.71 0.15 0.22 0.09 0.00 0.00 178.44 179.60 2bs3 h TYR 145 N 1.01 0.89 -0.37 1.13 3.20 -1.31 -2.18 116.97 119.36 2bs3 h TYR 145 Ca 0.26 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2bs3 h TYR 145 Cb -0.01 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2bs3 h TYR 145 CO -0.01 0.77 0.10 0.82 -1.64 0.00 0.00 178.16 178.20 2bs3 h ILE 146 N 0.76 1.22 -0.35 1.81 2.04 -1.31 -0.64 117.51 121.04 2bs3 h ILE 146 Ca 0.17 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2bs3 h ILE 146 Cb 0.31 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2bs3 h ILE 146 CO -0.00 0.26 0.12 0.24 0.00 0.00 0.00 178.15 178.77 2bs3 h MET 147 N 0.45 0.49 0.00 2.37 2.86 -1.25 0.33 114.93 120.19 2bs3 h MET 147 Ca 0.12 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 2bs3 h MET 147 Cb 0.29 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2bs3 h MET 147 CO 0.00 0.42 -0.86 1.98 1.06 0.00 0.00 176.91 179.51 2bs3 h MET 148 N 0.49 0.14 0.00 1.72 1.85 -1.06 -3.21 114.93 114.87 2bs3 h MET 148 Ca 0.12 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 2bs3 h MET 148 Cb 0.13 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.20 2bs3 h MET 148 CO -0.01 0.91 -1.09 0.25 -0.40 0.00 0.00 176.91 176.57 2bs3 n THR 149 N -3.64 0.00 -2.62 -0.77 -2.24 -0.28 -4.56 114.28 100.18 2bs3 n THR 149 Ca -0.03 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 2bs3 n THR 149 Cb 0.80 0.79 0.02 0.00 -2.10 0.00 0.00 70.33 69.84 2bs3 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bs3 n GLN 150 N -1.60 1.74 0.25 -0.78 6.02 0.11 -4.91 117.38 118.21 2bs3 n GLN 150 Ca 0.02 -3.58 0.09 0.00 -0.01 0.00 0.00 57.00 53.52 2bs3 n GLN 150 Cb 0.33 -1.51 0.65 0.00 1.02 0.00 0.00 30.24 30.74 2bs3 n GLN 150 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bs3 h PRO 151 N 2.89 0.00 0.00 -1.09 0.13 -1.73 -1.95 132.00 130.26 2bs3 h PRO 151 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2bs3 h PRO 151 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2bs3 h PRO 151 CO 0.59 0.11 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 2bs3 n GLN 152 N -4.07 0.49 -0.75 0.86 0.00 -1.26 -2.71 117.38 109.94 2bs3 n GLN 152 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 57.00 57.10 2bs3 n GLN 152 Cb 0.20 -1.50 0.37 0.00 0.00 0.00 0.00 30.24 29.30 2bs3 n GLN 152 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2bs3 n THR 153 N -1.16 2.52 -3.56 -0.39 -2.24 -0.73 -4.15 114.28 104.56 2bs3 n THR 153 Ca 0.13 -1.48 -0.37 0.00 -2.27 0.00 0.00 64.05 60.07 2bs3 n THR 153 Cb 0.13 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 2bs3 n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bs3 s ILE 154 N -2.63 5.30 0.00 2.28 1.01 -1.10 -3.41 121.20 122.65 2bs3 s ILE 154 Ca 0.51 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2bs3 s ILE 154 Cb 0.38 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2bs3 s ILE 154 CO 0.16 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2bs3 n GLY 155 N 3.92 1.10 0.31 6.18 0.00 -1.26 -4.84 105.19 110.60 2bs3 n GLY 155 Ca -0.12 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.14 2bs3 n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bs3 h PRO 156 N 0.00 0.00 0.00 1.61 0.13 -1.92 -0.12 132.00 131.70 2bs3 h PRO 156 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 2bs3 h PRO 156 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2bs3 h PRO 156 CO 0.00 0.00 -1.78 0.28 -0.23 0.00 0.00 178.00 176.27 2bs3 n VAL 157 N -3.84 1.51 -0.28 1.56 0.31 -1.26 -4.09 118.33 112.23 2bs3 n VAL 157 Ca -0.02 -0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.12 2bs3 n VAL 157 Cb 0.13 -2.08 0.06 0.00 -0.91 0.00 0.00 33.84 31.04 2bs3 n VAL 157 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2bs3 h SER 158 N -1.00 1.01 -0.41 4.52 0.02 -1.66 -1.98 113.55 114.05 2bs3 h SER 158 Ca -0.40 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.35 2bs3 h SER 158 Cb 1.31 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2bs3 h SER 158 CO -0.24 0.85 0.00 0.28 -1.14 0.00 0.00 176.83 176.58 2bs3 h SER 159 N 1.09 0.78 0.31 3.07 0.02 -1.03 -2.15 113.55 115.65 2bs3 h SER 159 Ca 0.27 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2bs3 h SER 159 Cb 0.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2bs3 h SER 159 CO -0.04 0.84 -0.38 0.28 -1.14 0.00 0.00 176.83 176.39 2bs3 h SER 160 N 0.76 0.10 0.38 3.07 0.02 -1.63 -1.27 113.55 114.98 2bs3 h SER 160 Ca 0.15 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2bs3 h SER 160 Cb 0.45 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2bs3 h SER 160 CO 0.02 0.48 -0.18 0.15 -1.14 0.00 0.00 176.83 176.16 2bs3 h PHE 161 N 0.09 -0.47 -0.79 3.45 3.57 -0.74 -1.66 116.94 120.39 2bs3 h PHE 161 Ca 0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2bs3 h PHE 161 Cb 0.72 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 2bs3 h PHE 161 CO 0.01 -0.20 0.49 -0.09 -2.23 0.00 0.00 178.31 176.29 2bs3 h ARG 162 N -0.69 0.91 -0.26 1.11 2.43 -1.34 0.48 114.38 117.02 2bs3 h ARG 162 Ca -0.05 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2bs3 h ARG 162 Cb 0.49 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2bs3 h ARG 162 CO 0.09 0.60 -0.14 1.98 -1.51 0.00 0.00 179.97 180.99 2bs3 h MET 163 N 0.93 -0.10 0.00 0.20 4.05 -1.06 -2.70 114.93 116.25 2bs3 h MET 163 Ca 0.33 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 2bs3 h MET 163 Cb 0.09 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2bs3 h MET 163 CO -0.14 -0.07 -0.84 0.28 0.23 0.00 0.00 176.91 176.36 2bs3 n VAL 164 N -5.30 1.45 -0.34 -5.77 0.31 -0.64 -1.39 118.33 106.64 2bs3 n VAL 164 Ca -0.01 0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.47 2bs3 n VAL 164 Cb 0.22 -2.35 0.12 0.00 -0.91 0.00 0.00 33.84 30.92 2bs3 n VAL 164 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2bs3 h SER 165 N -0.98 1.11 -0.41 4.52 0.02 -0.22 -2.07 113.55 115.52 2bs3 h SER 165 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2bs3 h SER 165 Cb 0.84 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2bs3 h SER 165 CO 0.00 0.85 0.00 -0.62 -1.14 0.00 0.00 176.83 175.92 2bs3 n GLU 166 N -4.36 1.99 -3.82 3.45 1.02 -1.07 -4.95 120.64 112.91 2bs3 n GLU 166 Ca 0.10 -1.48 -0.24 0.00 -0.02 0.00 0.00 57.16 55.53 2bs3 n GLU 166 Cb 0.05 -1.34 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 2bs3 n GLU 166 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2bs3 n TRP 167 N 0.68 -1.89 0.84 -0.32 7.02 -0.78 -4.90 117.44 118.09 2bs3 n TRP 167 Ca 0.14 0.82 0.11 0.00 -1.02 0.00 0.00 57.50 57.55 2bs3 n TRP 167 Cb 0.36 -4.11 0.09 0.00 -2.42 0.00 0.00 31.31 25.23 2bs3 n TRP 167 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2bs3 n MET 168 N -4.37 0.11 -0.23 -0.99 2.81 -0.97 -4.36 117.12 109.12 2bs3 n MET 168 Ca -0.25 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.63 2bs3 n MET 168 Cb 0.65 -1.54 0.19 0.00 -0.71 0.00 0.00 33.22 31.82 2bs3 n MET 168 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 2bs3 h TRP 169 N 0.00 1.01 -0.63 2.03 5.08 -1.47 -0.86 115.95 121.09 2bs3 h TRP 169 Ca 0.00 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.90 2bs3 h TRP 169 Cb 0.59 -0.33 -0.03 0.00 -3.00 0.00 0.00 29.16 26.39 2bs3 h TRP 169 CO 0.00 0.69 0.18 -1.00 -1.28 0.00 0.00 178.44 177.03 2bs3 h PRO 170 N 1.04 0.97 -0.43 0.12 0.13 -1.87 0.11 132.00 132.08 2bs3 h PRO 170 Ca 0.27 -0.20 -0.13 0.00 -0.87 0.00 0.00 66.00 65.07 2bs3 h PRO 170 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 2bs3 h PRO 170 CO -0.05 0.85 -0.23 1.25 -0.23 0.00 0.00 178.00 179.59 2bs3 h LEU 171 N 0.94 0.95 -0.78 1.56 6.46 -1.74 -2.83 115.31 119.87 2bs3 h LEU 171 Ca 0.21 -0.41 -0.09 0.00 -0.12 0.00 0.00 57.88 57.46 2bs3 h LEU 171 Cb 0.29 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2bs3 h LEU 171 CO -0.01 1.15 -0.06 1.88 -0.62 0.00 0.00 178.44 180.78 2bs3 h TYR 172 N 0.74 0.93 -0.04 1.25 0.05 -0.82 0.04 116.97 119.13 2bs3 h TYR 172 Ca 0.09 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2bs3 h TYR 172 Cb 0.81 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2bs3 h TYR 172 CO 0.06 0.88 0.02 1.25 -1.05 0.00 0.00 178.16 179.32 2bs3 h LEU 173 N 0.78 0.05 -0.03 3.88 5.85 -0.91 0.65 115.31 125.58 2bs3 h LEU 173 Ca 0.14 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2bs3 h LEU 173 Cb 0.56 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2bs3 h LEU 173 CO 0.03 0.12 -0.00 0.58 -0.34 0.00 0.00 178.44 178.83 2bs3 h VAL 174 N -0.03 1.28 -0.49 1.05 2.07 -1.45 -3.00 116.25 115.68 2bs3 h VAL 174 Ca 0.01 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2bs3 h VAL 174 Cb 0.09 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2bs3 h VAL 174 CO -0.00 0.23 0.33 0.25 0.02 0.00 0.00 177.57 178.40 2bs3 h LEU 175 N -0.29 0.29 0.19 2.57 5.85 -0.94 -1.30 115.31 121.68 2bs3 h LEU 175 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2bs3 h LEU 175 Cb 0.37 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2bs3 h LEU 175 CO 0.00 0.18 -0.13 0.25 -0.34 0.00 0.00 178.44 178.41 2bs3 h LEU 176 N 0.33 -0.33 -0.47 2.25 5.85 -0.72 -0.25 115.31 121.97 2bs3 h LEU 176 Ca 0.22 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 2bs3 h LEU 176 Cb 0.46 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2bs3 h LEU 176 CO -0.05 -0.21 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.44 2bs3 h PHE 177 N -0.32 1.05 0.32 1.25 -1.00 -1.41 -2.45 116.94 114.39 2bs3 h PHE 177 Ca -0.01 -0.23 -0.01 0.00 2.81 0.00 0.00 57.97 60.52 2bs3 h PHE 177 Cb 0.27 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 2bs3 h PHE 177 CO -0.10 1.02 -0.20 0.00 -1.61 0.00 0.00 178.31 177.43 2bs3 h ALA 178 N 0.88 -0.48 0.00 2.45 0.00 -1.09 -1.17 119.26 119.85 2bs3 h ALA 178 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2bs3 h ALA 178 Cb 0.70 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2bs3 h ALA 178 CO 0.05 -0.78 -0.49 -0.24 0.00 0.00 0.00 179.25 177.79 2bs3 h VAL 179 N -0.49 1.22 -0.06 0.00 3.04 -1.10 -1.37 116.25 117.48 2bs3 h VAL 179 Ca -0.03 -1.75 -0.25 0.00 -1.01 0.00 0.00 66.70 63.66 2bs3 h VAL 179 Cb 0.41 1.98 0.02 0.00 -2.01 0.00 0.00 31.29 31.68 2bs3 h VAL 179 CO 0.03 0.48 -0.93 -0.61 -1.01 0.00 0.00 177.57 175.53 2bs3 h GLN 180 N 0.00 0.72 -0.04 4.17 5.75 -1.34 0.25 115.11 124.62 2bs3 h GLN 180 Ca -0.00 -0.69 -0.02 0.00 -0.15 0.00 0.00 58.65 57.79 2bs3 h GLN 180 Cb 0.94 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2bs3 h GLN 180 CO 0.06 1.28 -0.03 -0.07 -2.65 0.00 0.00 178.83 177.43 2bs3 h LEU 181 N 0.45 0.10 0.01 -2.39 3.38 -1.18 -1.72 115.31 113.96 2bs3 h LEU 181 Ca -0.10 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.43 2bs3 h LEU 181 Cb 1.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2bs3 h LEU 181 CO 0.18 0.54 -0.05 -0.74 0.09 0.00 0.00 178.44 178.46 2bs3 h HIS 182 N -0.33 -0.12 0.14 1.13 2.76 -1.30 -2.04 115.15 115.39 2bs3 h HIS 182 Ca 0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2bs3 h HIS 182 Cb 0.51 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2bs3 h HIS 182 CO 0.08 -0.08 -0.07 0.78 -1.30 0.00 0.00 177.93 177.35 2bs3 h GLY 183 N -0.09 -0.20 0.90 5.26 0.00 -0.51 -0.32 103.07 108.12 2bs3 h GLY 183 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2bs3 h GLY 183 CO -0.05 -0.07 0.02 1.48 0.00 0.00 0.00 176.54 177.92 2bs3 h SER 184 N -0.19 0.55 -0.71 0.19 4.64 -1.31 -1.07 113.55 115.64 2bs3 h SER 184 Ca -0.02 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2bs3 h SER 184 Cb 0.15 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2bs3 h SER 184 CO 0.03 0.70 0.39 0.58 -0.87 0.00 0.00 176.83 177.67 2bs3 h VAL 185 N 0.38 1.22 -0.67 0.95 2.07 -1.38 -1.54 116.25 117.28 2bs3 h VAL 185 Ca 0.10 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2bs3 h VAL 185 Cb 0.41 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2bs3 h VAL 185 CO 0.01 0.24 0.42 1.23 0.02 0.00 0.00 177.57 179.49 2bs3 h GLY 186 N 0.97 0.97 1.30 2.17 0.00 -0.83 0.66 103.07 108.31 2bs3 h GLY 186 Ca 0.25 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 2bs3 h GLY 186 CO -0.04 0.38 -0.16 1.41 0.00 0.00 0.00 176.54 178.12 2bs3 h LEU 187 N 0.91 0.82 0.27 3.11 3.38 -0.97 -1.07 115.31 121.76 2bs3 h LEU 187 Ca 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2bs3 h LEU 187 Cb -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2bs3 h LEU 187 CO -0.05 0.98 -0.13 0.22 0.09 0.00 0.00 178.44 179.56 2bs3 h TYR 188 N 0.73 -0.33 -0.18 1.13 3.20 -0.80 -2.38 116.97 118.33 2bs3 h TYR 188 Ca 0.11 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2bs3 h TYR 188 Cb 0.67 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2bs3 h TYR 188 CO 0.04 -0.10 -0.00 -0.09 -1.64 0.00 0.00 178.16 176.36 2bs3 h ARG 189 N -0.50 0.25 -0.76 1.82 2.43 -0.80 -1.14 114.38 115.68 2bs3 h ARG 189 Ca -0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2bs3 h ARG 189 Cb 0.37 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 2bs3 h ARG 189 CO 0.06 0.28 0.48 1.25 -1.51 0.00 0.00 179.97 180.53 2bs3 h LEU 190 N 0.25 0.90 -0.23 3.80 5.85 -1.02 0.42 115.31 125.27 2bs3 h LEU 190 Ca 0.06 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2bs3 h LEU 190 Cb 0.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2bs3 h LEU 190 CO 0.00 0.68 0.07 0.00 -0.34 0.00 0.00 178.44 178.85 2bs3 h ALA 191 N 1.26 0.30 0.00 1.25 0.00 -0.69 -2.11 119.26 119.27 2bs3 h ALA 191 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2bs3 h ALA 191 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2bs3 h ALA 191 CO -0.05 -0.08 -0.29 -0.39 0.00 0.00 0.00 179.25 178.43 2bs3 h VAL 192 N 0.21 0.53 -0.21 0.00 -1.51 -1.26 0.19 116.25 114.19 2bs3 h VAL 192 Ca 0.07 -1.63 -0.11 0.00 -1.23 0.00 0.00 66.70 63.80 2bs3 h VAL 192 Cb 0.23 2.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2bs3 h VAL 192 CO -0.00 0.29 -0.31 0.50 -1.23 0.00 0.00 177.57 176.81 2bs3 h LYS 193 N 0.00 0.58 -0.00 5.19 3.64 -0.03 -3.27 116.57 122.67 2bs3 h LYS 193 Ca -0.00 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2bs3 h LYS 193 Cb 1.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2bs3 h LYS 193 CO 0.04 0.95 -0.84 0.91 -2.27 0.00 0.00 179.45 178.24 2bs3 n TRP 194 N -4.32 0.00 -3.50 1.91 7.02 -0.80 -5.00 117.44 112.75 2bs3 n TRP 194 Ca -0.05 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.17 2bs3 n TRP 194 Cb 0.48 -0.04 0.02 0.00 -2.42 0.00 0.00 31.31 29.35 2bs3 n TRP 194 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2bs3 n GLY 195 N 1.49 -0.51 0.35 6.99 0.00 0.65 -4.88 105.19 109.28 2bs3 n GLY 195 Ca 0.05 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2bs3 n GLY 195 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2bs3 h TRP 196 N -1.63 0.49 -0.25 1.61 6.55 -1.87 -2.84 115.95 118.01 2bs3 h TRP 196 Ca -0.52 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.33 2bs3 h TRP 196 Cb 1.35 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 2bs3 h TRP 196 CO 0.58 0.24 0.00 1.19 -1.05 0.00 0.00 178.44 179.40 2bs3 n PHE 197 N -4.48 0.51 -0.11 0.49 3.72 -1.26 -4.80 117.46 111.53 2bs3 n PHE 197 Ca 0.10 -0.64 -0.10 0.00 -0.05 0.00 0.00 57.45 56.76 2bs3 n PHE 197 Cb 0.36 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2bs3 n PHE 197 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2bs3 h ASP 198 N 1.55 -1.40 0.00 4.37 3.32 -1.84 -3.47 116.42 118.95 2bs3 h ASP 198 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2bs3 h ASP 198 Cb 0.92 0.61 0.00 0.00 0.22 0.00 0.00 39.33 41.08 2bs3 h ASP 198 CO 0.06 -0.37 0.00 0.61 -1.72 0.00 0.00 179.24 177.82 2bs3 n GLY 199 N -1.42 1.27 0.07 2.75 0.00 -1.26 -3.32 105.19 103.28 2bs3 n GLY 199 Ca -0.01 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.40 2bs3 n GLY 199 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bs3 n GLU 200 N 8.06 0.63 -3.44 1.61 1.02 -1.26 -4.53 120.64 122.74 2bs3 n GLU 200 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2bs3 n GLU 200 Cb 0.00 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 2bs3 n GLU 200 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bs3 n THR 201 N -2.53 1.80 -0.27 2.62 -2.24 -1.25 -4.96 114.28 107.44 2bs3 n THR 201 Ca -0.04 -4.99 0.09 0.00 -2.27 0.00 0.00 64.05 56.85 2bs3 n THR 201 Cb 0.60 -2.08 0.23 0.00 -2.10 0.00 0.00 70.33 66.98 2bs3 n THR 201 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2bs3 h PRO 202 N 4.30 0.26 -0.41 -0.78 0.11 -1.79 -1.13 132.00 132.56 2bs3 h PRO 202 Ca 0.18 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 2bs3 h PRO 202 Cb 0.71 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2bs3 h PRO 202 CO 0.76 0.17 0.13 -0.44 -0.21 0.00 0.00 178.00 178.42 2bs3 h ASP 203 N 0.27 0.54 -0.17 -2.05 3.32 -1.93 -0.62 116.42 115.79 2bs3 h ASP 203 Ca 0.48 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.30 2bs3 h ASP 203 Cb 0.87 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2bs3 h ASP 203 CO -0.56 0.53 -0.50 0.11 -1.72 0.00 0.00 179.24 177.09 2bs3 h LYS 204 N 0.59 0.63 -0.38 3.56 1.57 -1.62 -1.80 116.57 119.13 2bs3 h LYS 204 Ca 0.14 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.49 2bs3 h LYS 204 Cb 0.18 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2bs3 h LYS 204 CO -0.01 1.08 0.19 1.15 -0.57 0.00 0.00 179.45 181.29 2bs3 h THR 205 N 0.30 0.98 -0.58 -0.16 2.02 -0.97 -0.64 112.91 113.86 2bs3 h THR 205 Ca -0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2bs3 h THR 205 Cb 1.12 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2bs3 h THR 205 CO 0.11 0.07 0.25 -0.09 0.37 0.00 0.00 175.52 176.22 2bs3 h ARG 206 N 0.38 0.85 -0.72 6.66 2.43 -1.12 0.44 114.38 123.31 2bs3 h ARG 206 Ca 0.16 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2bs3 h ARG 206 Cb 0.07 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2bs3 h ARG 206 CO -0.11 0.72 0.47 0.00 -1.51 0.00 0.00 179.97 179.54 2bs3 h ALA 207 N 1.09 1.50 -0.11 2.80 0.00 -0.85 -0.95 119.26 122.74 2bs3 h ALA 207 Ca 0.19 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 2bs3 h ALA 207 Cb 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2bs3 h ALA 207 CO -0.02 0.46 -0.85 -0.91 0.00 0.00 0.00 179.25 177.93 2bs3 h ASN 208 N 0.96 0.90 -0.42 0.00 2.35 -0.59 -2.86 115.58 115.92 2bs3 h ASN 208 Ca 0.26 -0.63 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 2bs3 h ASN 208 Cb -0.10 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 2bs3 h ASN 208 CO -0.06 1.43 0.16 -0.07 -1.65 0.00 0.00 177.43 177.24 2bs3 h LEU 209 N 0.48 0.63 -0.57 1.61 3.38 -0.40 -0.26 115.31 120.19 2bs3 h LEU 209 Ca -0.07 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 2bs3 h LEU 209 Cb 1.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2bs3 h LEU 209 CO 0.17 0.60 -0.21 0.11 0.09 0.00 0.00 178.44 179.20 2bs3 h LYS 210 N 0.68 0.92 -0.08 1.13 1.57 -1.18 -0.26 116.57 119.35 2bs3 h LYS 210 Ca 0.16 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2bs3 h LYS 210 Cb 0.19 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2bs3 h LYS 210 CO -0.01 1.04 0.00 0.87 -0.57 0.00 0.00 179.45 180.78 2bs3 h LYS 211 N 0.80 0.15 -0.95 3.15 1.57 -1.19 -2.27 116.57 117.83 2bs3 h LYS 211 Ca 0.11 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2bs3 h LYS 211 Cb 0.77 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 2bs3 h LYS 211 CO 0.06 0.41 0.62 1.25 -0.57 0.00 0.00 179.45 181.22 2bs3 h LEU 212 N -0.13 0.97 -0.59 2.94 5.85 -0.96 -0.94 115.31 122.46 2bs3 h LEU 212 Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2bs3 h LEU 212 Cb 0.34 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2bs3 h LEU 212 CO 0.00 0.63 0.34 0.50 -0.34 0.00 0.00 178.44 179.57 2bs3 h LYS 213 N 1.11 0.81 -0.36 1.25 3.64 -0.83 0.24 116.57 122.43 2bs3 h LYS 213 Ca 0.41 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 2bs3 h LYS 213 Cb 0.17 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2bs3 h LYS 213 CO -0.16 0.60 -0.16 1.15 -2.27 0.00 0.00 179.45 178.61 2bs3 h THR 214 N 0.80 1.28 0.03 1.00 2.02 -0.75 -1.94 112.91 115.35 2bs3 h THR 214 Ca 0.21 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 2bs3 h THR 214 Cb 0.01 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2bs3 h THR 214 CO -0.04 0.42 -0.02 -0.07 0.37 0.00 0.00 175.52 176.19 2bs3 h LEU 215 N 0.53 -0.04 -0.58 2.58 -0.00 -1.03 -0.64 115.31 116.14 2bs3 h LEU 215 Ca 0.08 -0.16 0.09 0.00 -0.00 0.00 0.00 57.88 57.89 2bs3 h LEU 215 Cb 0.69 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.29 2bs3 h LEU 215 CO 0.05 0.14 0.18 -0.03 -0.00 0.00 0.00 178.44 178.78 2bs3 h MET 216 N -0.21 0.34 -0.15 1.13 4.05 -0.95 0.43 114.93 119.57 2bs3 h MET 216 Ca -0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2bs3 h MET 216 Cb 0.20 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 2bs3 h MET 216 CO 0.01 0.22 0.07 0.77 0.23 0.00 0.00 176.91 178.21 2bs3 h SER 217 N 0.35 0.19 0.14 1.39 0.02 -1.17 -1.01 113.55 113.46 2bs3 h SER 217 Ca 0.29 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2bs3 h SER 217 Cb 0.38 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2bs3 h SER 217 CO -0.32 0.25 -0.12 0.00 -1.14 0.00 0.00 176.83 175.50 2bs3 h ALA 218 N 0.95 -0.25 0.12 3.77 0.00 -0.50 -0.11 119.26 123.23 2bs3 h ALA 218 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bs3 h ALA 218 Cb 0.10 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2bs3 h ALA 218 CO -0.01 -0.66 -0.16 0.35 0.00 0.00 0.00 179.25 178.78 2bs3 h PHE 219 N -0.28 -0.42 0.00 0.00 3.57 -0.89 -1.19 116.94 117.74 2bs3 h PHE 219 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2bs3 h PHE 219 Cb 0.26 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2bs3 h PHE 219 CO -0.11 -0.24 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.46 2bs3 h LEU 220 N -0.33 0.00 -0.12 0.59 3.38 -1.11 -0.11 115.31 117.61 2bs3 h LEU 220 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2bs3 h LEU 220 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2bs3 h LEU 220 CO -0.07 0.20 -0.36 0.40 0.09 0.00 0.00 178.44 178.70 2bs3 h ILE 221 N 0.00 1.37 0.37 1.22 1.08 -0.64 0.76 117.51 121.67 2bs3 h ILE 221 Ca -0.00 -1.66 -0.02 0.00 -0.39 0.00 0.00 64.86 62.79 2bs3 h ILE 221 Cb 0.38 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2bs3 h ILE 221 CO 0.03 0.49 -0.18 0.58 -0.69 0.00 0.00 178.15 178.38 2bs3 h VAL 222 N 0.05 0.65 -1.01 1.67 2.07 -0.89 0.94 116.25 119.72 2bs3 h VAL 222 Ca -0.01 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.49 2bs3 h VAL 222 Cb 0.97 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2bs3 h VAL 222 CO 0.08 0.03 0.64 0.25 0.02 0.00 0.00 177.57 178.58 2bs3 h LEU 223 N -0.57 0.94 -0.81 2.57 5.85 -1.06 -0.10 115.31 122.13 2bs3 h LEU 223 Ca -0.05 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2bs3 h LEU 223 Cb 0.42 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2bs3 h LEU 223 CO 0.08 0.50 -0.04 1.23 -0.34 0.00 0.00 178.44 179.88 2bs3 h GLY 224 N 1.01 0.93 1.48 3.75 0.00 -0.35 -1.37 103.07 108.51 2bs3 h GLY 224 Ca 0.50 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 47.00 2bs3 h GLY 224 CO -0.26 0.61 -0.61 1.41 0.00 0.00 0.00 176.54 177.69 2bs3 h LEU 225 N 0.79 0.60 -0.07 3.11 3.38 0.58 -1.17 115.31 122.53 2bs3 h LEU 225 Ca 0.14 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2bs3 h LEU 225 Cb 0.53 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2bs3 h LEU 225 CO 0.03 1.07 -0.00 -0.07 0.09 0.00 0.00 178.44 179.55 2bs3 h LEU 226 N 0.40 0.12 -1.35 1.67 3.38 -0.92 -0.89 115.31 117.72 2bs3 h LEU 226 Ca -0.01 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2bs3 h LEU 226 Cb 1.16 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2bs3 h LEU 226 CO 0.11 0.40 0.45 0.74 0.09 0.00 0.00 178.44 180.24 2bs3 h THR 227 N -0.16 1.14 0.25 0.22 2.02 -1.24 -1.04 112.91 114.10 2bs3 h THR 227 Ca 0.02 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2bs3 h THR 227 Cb 0.34 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2bs3 h THR 227 CO 0.00 0.16 -0.12 0.15 0.37 0.00 0.00 175.52 176.08 2bs3 h PHE 228 N 0.88 -0.31 -0.78 3.16 3.57 -0.91 -2.38 116.94 120.17 2bs3 h PHE 228 Ca 0.26 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.83 2bs3 h PHE 228 Cb -0.04 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 2bs3 h PHE 228 CO -0.00 -0.16 0.45 0.78 -2.23 0.00 0.00 178.31 177.15 2bs3 h GLY 229 N -0.39 1.19 0.47 2.40 0.00 -0.50 -1.15 103.07 105.09 2bs3 h GLY 229 Ca -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.01 2bs3 h GLY 229 CO 0.06 0.15 -0.31 0.00 0.00 0.00 0.00 176.54 176.44 2bs3 h ALA 230 N 1.42 -0.54 -0.86 3.60 0.00 -0.94 0.28 119.26 122.23 2bs3 h ALA 230 Ca 0.37 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2bs3 h ALA 230 Cb 0.29 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2bs3 h ALA 230 CO -0.22 -0.86 0.57 1.88 0.00 0.00 0.00 179.25 180.62 2bs3 h TYR 231 N -0.54 1.08 -0.01 0.00 0.05 -1.08 -2.19 116.97 114.28 2bs3 h TYR 231 Ca 0.03 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 2bs3 h TYR 231 Cb 0.57 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 2bs3 h TYR 231 CO -0.27 0.68 -0.00 0.28 -1.05 0.00 0.00 178.16 177.79 2bs3 h VAL 232 N 1.16 1.27 -0.18 -2.88 2.07 -0.62 -1.34 116.25 115.72 2bs3 h VAL 232 Ca 0.31 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2bs3 h VAL 232 Cb -0.14 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2bs3 h VAL 232 CO -0.07 0.20 -0.12 0.50 0.02 0.00 0.00 177.57 178.11 2bs3 h LYS 233 N -0.32 -0.11 -0.90 1.57 3.64 -0.27 -0.57 116.57 119.61 2bs3 h LYS 233 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2bs3 h LYS 233 Cb 0.33 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2bs3 h LYS 233 CO 0.00 -0.07 0.58 0.87 -2.27 0.00 0.00 179.45 178.55 2bs3 h LYS 234 N -0.12 1.19 -0.18 1.90 1.57 -1.41 -2.23 116.57 117.30 2bs3 h LYS 234 Ca 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2bs3 h LYS 234 Cb 0.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2bs3 h LYS 234 CO -0.26 0.80 -0.07 0.78 -0.57 0.00 0.00 179.45 180.13 2bs3 h GLY 235 N 1.22 0.29 1.95 3.86 0.00 -0.44 -2.01 103.07 107.93 2bs3 h GLY 235 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2bs3 h GLY 235 CO -0.07 0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.67 2bs3 n LEU 236 N -4.31 0.00 -0.34 3.11 4.77 -0.30 -2.98 117.00 116.95 2bs3 n LEU 236 Ca -0.00 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 2bs3 n LEU 236 Cb 0.23 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2bs3 n LEU 236 CO 0.37 -0.07 0.25 -0.62 -1.33 0.00 0.00 177.39 175.99 2bs3 n GLU 237 N -1.47 0.85 -2.68 3.23 1.02 -0.76 -4.72 120.64 116.11 2bs3 n GLU 237 Ca 0.07 -0.69 -0.43 0.00 -0.02 0.00 0.00 57.16 56.08 2bs3 n GLU 237 Cb 0.28 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2bs3 n GLU 237 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2bs3 s GLN 238 N -2.62 4.00 0.00 3.49 -0.21 -1.16 -4.67 119.66 118.48 2bs3 s GLN 238 Ca 0.16 -2.12 0.16 0.00 0.02 0.00 0.00 55.36 53.58 2bs3 s GLN 238 Cb 0.18 -5.40 -0.02 0.00 1.00 0.00 0.00 33.01 28.77 2bs3 s GLN 238 CO 0.64 -2.13 0.83 0.25 -2.12 0.00 0.00 175.29 172.77 2bs3 n THR 239 N 5.95 0.00 -2.33 -0.19 -2.24 -1.26 -4.93 114.28 109.28 2bs3 n THR 239 Ca 0.45 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 2bs3 n THR 239 Cb 0.45 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 2bs3 n THR 239 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bs3 s ASP 240 N -1.91 6.15 0.00 3.42 -1.08 -1.26 -4.86 116.67 117.13 2bs3 s ASP 240 Ca 0.13 0.57 0.11 0.00 -0.52 0.00 0.00 52.55 52.83 2bs3 s ASP 240 Cb 0.13 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.56 2bs3 s ASP 240 CO 0.41 -1.63 1.29 -0.81 0.52 0.00 0.00 175.17 174.94 2bs3 n PRO 241 N 8.44 0.09 0.00 4.34 -0.04 -1.26 -2.06 135.00 144.51 2bs3 n PRO 241 Ca 0.15 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 2bs3 n PRO 241 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2bs3 n PRO 241 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bs3 n ASN 242 N -1.38 2.60 -4.64 3.54 3.02 -1.26 -4.91 115.26 112.23 2bs3 n ASN 242 Ca 0.04 -1.80 -0.35 0.00 -0.03 0.00 0.00 54.58 52.45 2bs3 n ASN 242 Cb 0.10 0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 2bs3 n ASN 242 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bs3 s ILE 243 N -2.06 4.74 -1.00 2.41 -1.09 -0.87 -5.04 121.20 118.29 2bs3 s ILE 243 Ca 0.24 -0.05 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 2bs3 s ILE 243 Cb 0.18 -3.12 0.15 0.00 -1.58 0.00 0.00 42.46 38.09 2bs3 s ILE 243 CO 0.37 0.48 1.19 -0.62 -1.23 0.00 0.00 174.94 175.13 2bs3 s ASP 244 N 0.26 6.76 0.13 3.58 2.15 -1.26 -4.86 116.67 123.42 2bs3 s ASP 244 Ca 0.03 -2.33 -0.14 0.00 0.43 0.00 0.00 52.55 50.55 2bs3 s ASP 244 Cb -0.12 -2.39 -0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2bs3 s ASP 244 CO 0.00 -0.95 1.58 1.88 -0.17 0.00 0.00 175.17 177.50 2bs3 h TYR 245 N 8.34 0.86 -0.87 -5.34 -1.99 -1.95 -2.67 116.97 113.35 2bs3 h TYR 245 Ca 0.20 -0.16 0.23 0.00 2.00 0.00 0.00 58.73 61.00 2bs3 h TYR 245 Cb 0.98 -0.22 -0.14 0.00 2.00 0.00 0.00 36.73 39.35 2bs3 h TYR 245 CO 1.14 0.85 0.22 -0.22 -0.00 0.00 0.00 178.16 180.15 2bs3 h LYS 246 N 0.62 0.19 -0.27 4.88 1.63 -1.89 -0.79 116.57 120.94 2bs3 h LYS 246 Ca 0.12 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2bs3 h LYS 246 Cb 0.52 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2bs3 h LYS 246 CO 0.03 0.13 0.00 0.66 -3.45 0.00 0.00 179.45 176.81 2bs3 n TYR 247 N -5.24 0.97 0.52 1.91 4.02 -1.22 -4.62 117.16 113.50 2bs3 n TYR 247 Ca 0.21 -0.92 -0.20 0.00 -0.01 0.00 0.00 57.90 56.98 2bs3 n TYR 247 Cb 0.67 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 39.56 2bs3 n TYR 247 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2bs3 h PHE 248 N 1.77 -1.22 -0.75 -0.72 3.57 -0.77 -1.88 116.94 116.95 2bs3 h PHE 248 Ca 0.01 -0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.66 2bs3 h PHE 248 Cb 1.47 0.40 -0.05 0.00 2.79 0.00 0.00 35.95 40.57 2bs3 h PHE 248 CO 0.53 -0.76 0.51 -0.44 -2.23 0.00 0.00 178.31 175.92 2bs3 h ASP 249 N -1.32 0.27 -0.11 0.41 3.32 -1.85 0.09 116.42 117.23 2bs3 h ASP 249 Ca -0.13 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.75 2bs3 h ASP 249 Cb 1.01 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 2bs3 h ASP 249 CO 0.22 0.13 -0.59 0.22 -1.72 0.00 0.00 179.24 177.50 2bs3 h TYR 250 N 0.28 0.91 0.00 4.55 3.20 -1.68 -3.29 116.97 120.94 2bs3 h TYR 250 Ca 0.37 -0.34 -0.33 0.00 3.14 0.00 0.00 58.73 61.57 2bs3 h TYR 250 Cb 1.04 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 2bs3 h TYR 250 CO -0.00 1.13 1.23 1.63 -1.64 0.00 0.00 178.16 180.51 2bs3 n LYS 251 N -3.97 2.30 0.00 1.82 5.02 0.02 -2.99 118.16 120.36 2bs3 n LYS 251 Ca -0.04 -1.30 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 2bs3 n LYS 251 Cb 0.64 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2bs3 n LYS 251 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bs3 n ARG 252 N 3.06 0.69 -1.13 1.97 1.74 -1.24 -4.92 116.66 116.82 2bs3 n ARG 252 Ca 0.49 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.53 2bs3 n ARG 252 Cb 0.55 -0.63 -0.04 0.00 -1.02 0.00 0.00 32.46 31.32 2bs3 n ARG 252 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2bs3 n THR 253 N -1.16 0.00 -3.70 0.55 -1.04 -1.21 -5.01 114.28 102.71 2bs3 n THR 253 Ca 0.00 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.05 61.50 2bs3 n THR 253 Cb 0.13 0.63 0.03 0.00 -1.82 0.00 0.00 70.33 69.30 2bs3 n THR 253 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2bs3 n HIS 254 N 0.14 -1.91 0.00 -1.42 8.25 -1.16 -3.90 115.22 115.22 2bs3 n HIS 254 Ca -0.18 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 2bs3 n HIS 254 Cb 0.82 -4.14 0.00 0.00 1.12 0.00 0.00 29.99 27.80 2bs3 n HIS 254 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70