#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs2 s THR 2 N 0.00 1.20 0.21 3.17 -4.23 -1.26 -5.04 115.64 109.69 2bs2 s THR 2 Ca 0.00 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.35 2bs2 s THR 2 Cb 0.00 -2.23 0.14 0.00 1.34 0.00 0.00 72.50 71.75 2bs2 s THR 2 CO 0.00 -0.43 1.81 0.78 -0.54 0.00 0.00 174.62 176.23 2bs2 h ASN 3 N 2.52 0.54 -0.61 3.99 2.35 -2.05 -1.62 115.58 120.70 2bs2 h ASN 3 Ca -0.38 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2bs2 h ASN 3 Cb 1.22 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 2bs2 h ASN 3 CO 0.64 0.35 0.38 1.05 -1.65 0.00 0.00 177.43 178.20 2bs2 h GLU 4 N 0.67 0.83 -0.22 0.81 9.09 -1.99 -0.54 114.58 123.23 2bs2 h GLU 4 Ca 0.29 -0.07 -0.09 0.00 0.05 0.00 0.00 59.36 59.55 2bs2 h GLU 4 Cb 0.18 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2bs2 h GLU 4 CO -0.18 0.59 -0.23 0.66 0.05 0.00 0.00 179.01 179.90 2bs2 h SER 5 N 0.83 0.41 -0.15 3.06 4.64 -1.87 -0.57 113.55 119.89 2bs2 h SER 5 Ca 0.22 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2bs2 h SER 5 Cb -0.03 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2bs2 h SER 5 CO -0.04 0.64 -0.04 0.40 -0.87 0.00 0.00 176.83 176.92 2bs2 h ILE 6 N 0.37 1.29 -0.91 0.95 2.04 -0.88 -0.49 117.51 119.89 2bs2 h ILE 6 Ca 0.06 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2bs2 h ILE 6 Cb 0.61 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 2bs2 h ILE 6 CO 0.04 0.29 0.60 -0.07 0.00 0.00 0.00 178.15 179.02 2bs2 h LEU 7 N -0.01 1.04 -0.29 1.44 3.38 -0.86 -0.70 115.31 119.31 2bs2 h LEU 7 Ca 0.04 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2bs2 h LEU 7 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2bs2 h LEU 7 CO 0.02 0.75 -0.04 -0.08 0.09 0.00 0.00 178.44 179.17 2bs2 h GLU 8 N 1.22 0.54 -0.55 1.13 4.81 -1.01 0.57 114.58 121.30 2bs2 h GLU 8 Ca 0.33 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2bs2 h GLU 8 Cb -0.13 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2bs2 h GLU 8 CO -0.08 0.72 0.34 0.77 -0.73 0.00 0.00 179.01 180.04 2bs2 h SER 9 N 0.31 0.65 1.13 1.04 0.02 -0.74 0.23 113.55 116.20 2bs2 h SER 9 Ca 0.08 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2bs2 h SER 9 Cb 0.51 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2bs2 h SER 9 CO 0.02 0.51 -0.89 1.88 -1.14 0.00 0.00 176.83 177.22 2bs2 h TYR 10 N 0.74 0.00 0.00 3.45 -1.99 -1.11 -3.37 116.97 114.69 2bs2 h TYR 10 Ca 0.20 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.71 2bs2 h TYR 10 Cb -0.03 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.66 2bs2 h TYR 10 CO -0.03 0.79 -2.10 -1.13 -0.00 0.00 0.00 178.16 175.68 2bs2 n SER 11 N -3.25 0.14 0.00 3.88 3.41 0.19 -4.98 113.62 113.01 2bs2 n SER 11 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2bs2 n SER 11 Cb 0.86 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 2bs2 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bs2 n GLY 12 N 1.53 0.87 3.20 5.00 0.00 0.81 -5.02 105.19 111.58 2bs2 n GLY 12 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2bs2 n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bs2 s VAL 13 N -2.84 0.08 0.91 1.61 -7.23 -1.24 -4.76 120.40 106.93 2bs2 s VAL 13 Ca 0.00 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 2bs2 s VAL 13 Cb 0.00 -2.07 0.14 0.00 0.56 0.00 0.00 36.38 35.01 2bs2 s VAL 13 CO 0.00 -0.36 1.12 0.42 -0.31 0.00 0.00 175.10 175.97 2bs2 s THR 14 N -4.05 2.17 0.62 5.32 -4.23 0.30 -3.69 115.64 112.08 2bs2 s THR 14 Ca 0.25 0.05 0.32 0.00 -1.18 0.00 0.00 61.69 61.13 2bs2 s THR 14 Cb 0.06 -2.74 0.37 0.00 1.34 0.00 0.00 72.50 71.53 2bs2 s THR 14 CO 0.03 -0.07 2.11 -0.65 -0.54 0.00 0.00 174.62 175.50 2bs2 h PRO 15 N -1.53 0.00 -0.25 3.99 0.11 -1.89 0.55 132.00 132.98 2bs2 h PRO 15 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bs2 h PRO 15 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2bs2 h PRO 15 CO 0.61 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.79 2bs2 n GLU 16 N -3.46 1.74 -3.31 1.05 -0.58 -1.26 -4.92 120.64 109.89 2bs2 n GLU 16 Ca 0.00 -1.13 -0.17 0.00 -0.42 0.00 0.00 57.16 55.44 2bs2 n GLU 16 Cb 0.29 -1.32 0.08 0.00 -0.57 0.00 0.00 31.44 29.92 2bs2 n GLU 16 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2bs2 n ARG 17 N 0.38 -6.15 -4.32 3.49 0.63 0.19 -5.04 116.66 105.84 2bs2 n ARG 17 Ca 0.14 0.74 -0.17 0.00 -0.92 0.00 0.00 57.85 57.64 2bs2 n ARG 17 Cb 0.30 -5.47 -0.10 0.00 0.45 0.00 0.00 32.46 27.64 2bs2 n ARG 17 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2bs2 s LYS 18 N -5.46 1.27 0.36 -0.14 1.02 -1.25 -4.86 119.74 110.69 2bs2 s LYS 18 Ca 0.14 -1.60 -0.25 0.00 0.02 0.00 0.00 55.97 54.28 2bs2 s LYS 18 Cb -0.06 -0.82 -0.09 0.00 -0.52 0.00 0.00 37.83 36.33 2bs2 s LYS 18 CO 0.64 0.05 1.01 0.15 -0.92 0.00 0.00 175.35 176.28 2bs2 s LYS 19 N -3.75 4.35 0.53 1.68 1.02 -1.26 -0.54 119.74 121.77 2bs2 s LYS 19 Ca 0.23 1.46 -0.22 0.00 0.02 0.00 0.00 55.97 57.46 2bs2 s LYS 19 Cb 0.03 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 2bs2 s LYS 19 CO 0.06 0.04 1.28 0.45 -0.92 0.00 0.00 175.35 176.26 2bs2 n SER 20 N 0.23 2.37 -0.67 2.83 2.88 -1.26 -4.85 113.62 115.14 2bs2 n SER 20 Ca 0.03 0.98 0.12 0.00 -1.33 0.00 0.00 58.87 58.68 2bs2 n SER 20 Cb 0.49 -1.53 0.36 0.00 -0.75 0.00 0.00 64.21 62.79 2bs2 n SER 20 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2bs2 n ARG 21 N -0.78 1.91 -0.21 -1.46 3.00 -1.26 -4.34 116.66 113.52 2bs2 n ARG 21 Ca 0.10 -1.34 -0.07 0.00 -0.01 0.00 0.00 57.85 56.52 2bs2 n ARG 21 Cb 0.44 -1.46 0.03 0.00 0.00 0.00 0.00 32.46 31.47 2bs2 n ARG 21 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2bs2 h MET 22 N 3.02 0.87 -0.72 5.56 2.86 -2.00 -2.37 114.93 122.15 2bs2 h MET 22 Ca 0.00 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.59 2bs2 h MET 22 Cb 0.65 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 2bs2 h MET 22 CO 0.00 0.74 0.47 -1.35 1.06 0.00 0.00 176.91 177.83 2bs2 h PRO 23 N 0.81 0.56 -0.23 -0.22 0.11 -2.00 0.50 132.00 131.53 2bs2 h PRO 23 Ca 0.20 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2bs2 h PRO 23 Cb 0.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2bs2 h PRO 23 CO -0.02 0.37 -0.10 0.00 -0.21 0.00 0.00 178.00 178.04 2bs2 h ALA 24 N 1.64 0.32 -0.36 -0.75 0.00 -1.77 -1.87 119.26 116.47 2bs2 h ALA 24 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bs2 h ALA 24 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2bs2 h ALA 24 CO -0.12 0.15 0.20 0.87 0.00 0.00 0.00 179.25 180.36 2bs2 h LYS 25 N 0.18 0.49 -0.72 0.00 1.57 -0.78 -1.18 116.57 116.14 2bs2 h LYS 25 Ca 0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2bs2 h LYS 25 Cb 0.59 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2bs2 h LYS 25 CO 0.03 0.40 0.32 -0.07 -0.57 0.00 0.00 179.45 179.56 2bs2 h LEU 26 N 0.46 0.95 -0.49 2.94 3.38 -0.94 0.32 115.31 121.92 2bs2 h LEU 26 Ca 0.13 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2bs2 h LEU 26 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2bs2 h LEU 26 CO -0.02 0.82 0.08 -0.78 0.09 0.00 0.00 178.44 178.63 2bs2 h ASP 27 N 1.03 0.78 0.41 -0.43 3.58 -1.07 -0.10 116.42 120.62 2bs2 h ASP 27 Ca 0.25 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2bs2 h ASP 27 Cb 0.14 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2bs2 h ASP 27 CO -0.03 0.84 -0.20 -0.25 -2.88 0.00 0.00 179.24 176.73 2bs2 h TRP 28 N 0.69 -0.51 -0.31 0.28 7.01 -0.69 -2.56 115.95 119.86 2bs2 h TRP 28 Ca 0.15 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2bs2 h TRP 28 Cb 0.39 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 2bs2 h TRP 28 CO 0.03 -0.27 0.15 -1.49 -2.79 0.00 0.00 178.44 174.06 2bs2 h TRP 29 N -0.64 0.41 -0.23 2.65 4.06 -0.87 0.98 115.95 122.31 2bs2 h TRP 29 Ca -0.06 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 2bs2 h TRP 29 Cb 0.47 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2bs2 h TRP 29 CO -0.03 0.31 0.10 0.37 -3.56 0.00 0.00 178.44 175.63 2bs2 h GLN 30 N 0.43 0.34 -0.44 0.49 4.15 -0.85 -0.32 115.11 118.92 2bs2 h GLN 30 Ca 0.11 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.35 2bs2 h GLN 30 Cb 0.05 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2bs2 h GLN 30 CO -0.02 0.38 -0.19 0.77 -1.93 0.00 0.00 178.83 177.84 2bs2 h SER 31 N 0.23 0.87 -0.33 -0.69 0.02 -1.01 -1.58 113.55 111.06 2bs2 h SER 31 Ca 0.08 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2bs2 h SER 31 Cb 0.16 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2bs2 h SER 31 CO -0.01 1.04 0.10 0.00 -1.14 0.00 0.00 176.83 176.83 2bs2 h ALA 32 N 1.03 0.43 -0.28 3.77 0.00 -0.63 0.19 119.26 123.77 2bs2 h ALA 32 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2bs2 h ALA 32 Cb 0.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2bs2 h ALA 32 CO 0.06 0.06 -0.17 1.79 0.00 0.00 0.00 179.25 180.99 2bs2 h THR 33 N 0.37 1.24 -0.27 0.00 1.35 -1.03 -1.45 112.91 113.13 2bs2 h THR 33 Ca 0.11 -1.10 -0.05 0.00 -0.55 0.00 0.00 66.41 64.81 2bs2 h THR 33 Cb 0.24 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2bs2 h THR 33 CO -0.00 0.36 -0.05 1.23 -0.25 0.00 0.00 175.52 176.81 2bs2 h GLY 34 N 0.95 0.54 0.99 5.82 0.00 -0.83 -2.32 103.07 108.22 2bs2 h GLY 34 Ca 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.98 2bs2 h GLY 34 CO 0.04 0.40 0.34 -2.00 0.00 0.00 0.00 176.54 175.31 2bs2 h LEU 35 N 0.26 0.58 0.08 3.11 5.85 -0.36 -1.04 115.31 123.79 2bs2 h LEU 35 Ca 0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2bs2 h LEU 35 Cb 0.50 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2bs2 h LEU 35 CO 0.02 0.42 -0.14 0.15 -0.34 0.00 0.00 178.44 178.55 2bs2 h PHE 36 N 0.69 -0.36 -0.81 1.25 3.57 -1.19 -1.46 116.94 118.62 2bs2 h PHE 36 Ca 0.19 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2bs2 h PHE 36 Cb -0.07 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2bs2 h PHE 36 CO -0.04 -0.21 0.41 -0.07 -2.23 0.00 0.00 178.31 176.16 2bs2 h LEU 37 N -0.28 1.04 -0.25 0.59 3.38 -1.24 0.14 115.31 118.70 2bs2 h LEU 37 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2bs2 h LEU 37 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2bs2 h LEU 37 CO -0.08 0.87 0.12 1.23 0.09 0.00 0.00 178.44 180.67 2bs2 h GLY 38 N 1.17 0.38 1.14 0.83 0.00 -0.91 -0.90 103.07 104.79 2bs2 h GLY 38 Ca 0.28 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2bs2 h GLY 38 CO -0.04 0.18 -0.47 1.41 0.00 0.00 0.00 176.54 177.62 2bs2 h LEU 39 N 0.27 1.00 -0.58 3.11 3.38 -1.09 -3.01 115.31 118.39 2bs2 h LEU 39 Ca 0.09 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.63 2bs2 h LEU 39 Cb 0.11 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2bs2 h LEU 39 CO -0.01 1.30 0.25 0.15 0.09 0.00 0.00 178.44 180.22 2bs2 h PHE 40 N 0.72 0.45 -0.37 1.13 3.57 -0.53 -2.17 116.94 119.73 2bs2 h PHE 40 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2bs2 h PHE 40 Cb 1.07 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2bs2 h PHE 40 CO 0.07 0.16 0.11 0.52 -2.23 0.00 0.00 178.31 176.94 2bs2 h MET 41 N 0.46 0.54 -0.27 1.11 2.86 -1.09 0.29 114.93 118.82 2bs2 h MET 41 Ca 0.28 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2bs2 h MET 41 Cb 0.28 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2bs2 h MET 41 CO -0.25 0.48 0.05 0.82 1.06 0.00 0.00 176.91 179.07 2bs2 h ILE 42 N 0.53 1.23 -0.34 -1.22 2.04 -1.27 -0.69 117.51 117.79 2bs2 h ILE 42 Ca 0.13 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 2bs2 h ILE 42 Cb 0.17 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2bs2 h ILE 42 CO -0.01 0.25 -0.14 1.23 0.00 0.00 0.00 178.15 179.49 2bs2 h GLY 43 N 0.27 0.64 1.01 5.37 0.00 -1.18 -2.81 103.07 106.36 2bs2 h GLY 43 Ca 0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2bs2 h GLY 43 CO 0.00 0.43 0.44 0.84 0.00 0.00 0.00 176.54 178.25 2bs2 h HIS 44 N 0.54 1.04 0.00 5.60 -0.00 -0.57 -1.82 115.15 119.95 2bs2 h HIS 44 Ca 0.09 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.38 2bs2 h HIS 44 Cb 0.55 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 2bs2 h HIS 44 CO 0.02 0.72 -0.33 0.52 -0.00 0.00 0.00 177.93 178.86 2bs2 h MET 45 N 1.06 0.00 0.00 5.26 2.86 -0.88 -1.72 114.93 121.52 2bs2 h MET 45 Ca 0.27 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 2bs2 h MET 45 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2bs2 h MET 45 CO -0.05 0.33 -0.17 0.74 1.06 0.00 0.00 176.91 178.83 2bs2 h PHE 46 N 0.00 0.16 -0.34 -0.22 0.04 -1.30 -2.57 116.94 112.71 2bs2 h PHE 46 Ca -0.00 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2bs2 h PHE 46 Cb 0.62 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 2bs2 h PHE 46 CO 0.00 0.91 -0.02 0.74 -0.60 0.00 0.00 178.31 179.33 2bs2 h PHE 47 N -0.63 0.56 0.00 -0.55 -1.00 -1.30 -2.39 116.94 111.63 2bs2 h PHE 47 Ca -0.02 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2bs2 h PHE 47 Cb 0.96 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.36 2bs2 h PHE 47 CO 0.20 0.56 0.00 0.28 -1.61 0.00 0.00 178.31 177.74 2bs2 h VAL 48 N 0.51 0.00 -0.00 -0.55 2.07 -1.41 -3.16 116.25 113.71 2bs2 h VAL 48 Ca 0.11 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2bs2 h VAL 48 Cb 0.37 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2bs2 h VAL 48 CO 0.01 0.00 -0.13 -1.54 0.02 0.00 0.00 177.57 175.94 2bs2 n SER 49 N -3.07 0.53 0.08 0.57 3.41 -0.91 -3.83 113.62 110.40 2bs2 n SER 49 Ca 0.04 -0.59 0.07 0.00 -0.26 0.00 0.00 58.87 58.12 2bs2 n SER 49 Cb 0.51 -0.05 0.33 0.00 -0.26 0.00 0.00 64.21 64.74 2bs2 n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bs2 n THR 50 N -0.93 1.39 0.29 6.66 -2.24 -1.15 -1.11 114.28 117.19 2bs2 n THR 50 Ca 0.14 0.56 0.17 0.00 -2.27 0.00 0.00 64.05 62.65 2bs2 n THR 50 Cb 0.29 -1.53 0.90 0.00 -2.10 0.00 0.00 70.33 67.88 2bs2 n THR 50 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2bs2 h ILE 51 N 0.00 0.29 0.00 2.28 6.09 -1.83 0.19 117.51 124.53 2bs2 h ILE 51 Ca 0.00 -0.29 -0.04 0.00 -1.37 0.00 0.00 64.86 63.16 2bs2 h ILE 51 Cb 0.05 1.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 2bs2 h ILE 51 CO 0.00 0.05 -0.17 -0.07 -3.07 0.00 0.00 178.15 174.89 2bs2 h LEU 52 N 0.00 0.00 0.00 2.19 3.38 -1.44 -2.95 115.31 116.49 2bs2 h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bs2 h LEU 52 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bs2 h LEU 52 CO 0.01 0.17 -0.48 0.18 0.09 0.00 0.00 178.44 178.41 2bs2 n LEU 53 N -3.24 0.57 0.00 1.67 4.77 0.05 -5.03 117.00 115.79 2bs2 n LEU 53 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2bs2 n LEU 53 Cb 0.46 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2bs2 n LEU 53 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2bs2 n GLY 54 N 1.40 3.96 0.28 -0.72 0.00 -1.12 -4.72 105.19 104.28 2bs2 n GLY 54 Ca 0.04 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2bs2 n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bs2 h ASP 55 N 0.00 0.31 0.12 1.61 3.45 -1.86 0.10 116.42 120.15 2bs2 h ASP 55 Ca 0.00 0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 2bs2 h ASP 55 Cb 0.00 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2bs2 h ASP 55 CO 0.00 0.11 -0.14 0.78 -1.57 0.00 0.00 179.24 178.42 2bs2 h ASN 56 N 0.46 0.05 0.51 6.45 2.35 -1.95 -1.39 115.58 122.06 2bs2 h ASN 56 Ca 0.43 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.15 2bs2 h ASN 56 Cb 0.67 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2bs2 h ASN 56 CO -0.41 0.19 -0.24 0.58 -1.65 0.00 0.00 177.43 175.90 2bs2 h VAL 57 N 0.05 0.00 -0.28 2.81 2.07 -1.08 -2.16 116.25 117.67 2bs2 h VAL 57 Ca 0.01 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2bs2 h VAL 57 Cb 0.28 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2bs2 h VAL 57 CO 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 2bs2 h MET 58 N -0.92 0.42 -0.73 1.57 -0.00 -1.51 -1.28 114.93 112.48 2bs2 h MET 58 Ca -0.07 -0.08 0.02 0.00 -0.00 0.00 0.00 59.70 59.57 2bs2 h MET 58 Cb 0.52 -0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 32.02 2bs2 h MET 58 CO 0.11 0.46 0.48 1.25 -0.00 0.00 0.00 176.91 179.21 2bs2 h LEU 59 N 0.41 0.79 -0.39 -0.10 5.85 -1.29 0.39 115.31 120.97 2bs2 h LEU 59 Ca 0.09 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2bs2 h LEU 59 Cb 0.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2bs2 h LEU 59 CO 0.01 0.55 -0.17 -0.25 -0.34 0.00 0.00 178.44 178.24 2bs2 h TRP 60 N 0.92 0.92 -0.27 1.25 7.01 -0.56 -2.68 115.95 122.54 2bs2 h TRP 60 Ca 0.28 -0.22 -0.08 0.00 2.11 0.00 0.00 58.89 60.98 2bs2 h TRP 60 Cb -0.00 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 2bs2 h TRP 60 CO -0.00 0.97 -0.13 0.28 -2.79 0.00 0.00 178.44 176.77 2bs2 h VAL 61 N 0.61 1.30 -0.98 2.65 2.07 -0.81 -2.79 116.25 118.30 2bs2 h VAL 61 Ca 0.09 -1.21 0.14 0.00 0.82 0.00 0.00 66.70 66.54 2bs2 h VAL 61 Cb 0.72 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.90 2bs2 h VAL 61 CO 0.05 0.38 0.62 0.74 0.02 0.00 0.00 177.57 179.38 2bs2 h THR 62 N 0.31 0.85 0.00 2.57 2.02 -0.23 -0.30 112.91 118.14 2bs2 h THR 62 Ca 0.06 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 2bs2 h THR 62 Cb 0.64 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2bs2 h THR 62 CO 0.04 0.16 -0.56 0.11 0.37 0.00 0.00 175.52 175.64 2bs2 h LYS 63 N 0.87 0.00 -0.29 6.66 1.57 -1.36 -3.11 116.57 120.91 2bs2 h LYS 63 Ca 0.50 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.20 2bs2 h LYS 63 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2bs2 h LYS 63 CO -0.28 0.56 -0.13 0.87 -0.57 0.00 0.00 179.45 179.90 2bs2 h LYS 64 N 0.00 0.60 0.00 3.15 1.57 -0.80 -2.39 116.57 118.71 2bs2 h LYS 64 Ca -0.01 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2bs2 h LYS 64 Cb 1.03 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2bs2 h LYS 64 CO 0.07 0.83 0.00 0.74 -0.57 0.00 0.00 179.45 180.53 2bs2 h PHE 65 N 0.35 0.00 -0.65 -1.35 0.05 -1.37 0.62 116.94 114.59 2bs2 h PHE 65 Ca 0.07 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.86 2bs2 h PHE 65 Cb 0.65 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.60 2bs2 h PHE 65 CO 0.06 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 178.58 2bs2 n GLU 66 N -2.30 3.99 -3.12 1.51 1.02 -0.93 -4.52 120.64 116.30 2bs2 n GLU 66 Ca -0.00 -2.97 -0.02 0.00 -0.02 0.00 0.00 57.16 54.15 2bs2 n GLU 66 Cb 0.11 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2bs2 n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2bs2 n LEU 67 N 1.08 -6.40 -0.03 -4.62 4.77 0.21 -1.63 117.00 110.38 2bs2 n LEU 67 Ca 0.27 -0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 2bs2 n LEU 67 Cb 0.96 -3.17 -0.08 0.00 -2.33 0.00 0.00 43.42 38.80 2bs2 n LEU 67 CO 0.26 -1.03 0.36 -0.78 -1.33 0.00 0.00 177.39 174.87 2bs2 h ASP 68 N 0.44 0.67 0.00 -1.43 1.82 -1.60 -1.07 116.42 115.25 2bs2 h ASP 68 Ca -0.06 -0.64 0.00 0.00 -0.39 0.00 0.00 57.03 55.95 2bs2 h ASP 68 Cb 1.04 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2bs2 h ASP 68 CO 0.30 1.20 0.00 2.22 -1.61 0.00 0.00 179.24 181.35 2bs2 n PHE 69 N -4.19 0.00 0.00 0.28 1.16 -1.26 -2.92 117.46 110.52 2bs2 n PHE 69 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 2bs2 n PHE 69 Cb 0.62 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 2bs2 n PHE 69 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 2bs2 n ILE 70 N -0.34 0.00 -4.37 1.97 5.41 -1.18 -5.10 119.36 115.75 2bs2 n ILE 70 Ca 0.00 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 2bs2 n ILE 70 Cb 0.04 -0.28 -0.11 0.00 -0.71 0.00 0.00 39.64 38.58 2bs2 n ILE 70 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2bs2 s PHE 71 N -1.30 1.93 0.00 1.39 0.40 -0.41 -5.08 117.98 114.90 2bs2 s PHE 71 Ca 0.00 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2bs2 s PHE 71 Cb 0.00 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.61 2bs2 s PHE 71 CO 0.00 0.42 0.00 -1.91 0.70 0.00 0.00 175.22 174.43 2bs2 n GLU 72 N -0.01 0.00 -0.27 0.44 2.13 -1.26 -3.40 120.64 118.27 2bs2 n GLU 72 Ca -0.11 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.78 2bs2 n GLU 72 Cb 0.58 -0.24 0.20 0.00 0.27 0.00 0.00 31.44 32.25 2bs2 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bs2 n GLY 73 N 0.00 1.27 0.06 8.31 0.00 -1.26 -4.89 105.19 108.68 2bs2 n GLY 73 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2bs2 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs2 n GLY 74 N 1.06 -2.81 3.52 -0.02 0.00 -1.22 -4.63 105.19 101.10 2bs2 n GLY 74 Ca 0.15 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 2bs2 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bs2 s LYS 75 N -3.97 3.32 0.62 1.61 1.02 -0.65 -4.62 119.74 117.08 2bs2 s LYS 75 Ca 0.00 -0.36 0.31 0.00 0.02 0.00 0.00 55.97 55.94 2bs2 s LYS 75 Cb 0.00 -3.93 1.70 0.00 -0.52 0.00 0.00 37.83 35.08 2bs2 s LYS 75 CO 0.00 -0.94 1.95 -1.35 -0.92 0.00 0.00 175.35 174.09 2bs2 h PRO 76 N 8.79 0.00 0.00 -1.68 0.11 -1.92 -1.05 132.00 136.25 2bs2 h PRO 76 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2bs2 h PRO 76 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2bs2 h PRO 76 CO 0.87 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.63 2bs2 h ILE 77 N 0.00 0.00 -0.61 4.15 2.10 -1.94 0.14 117.51 121.35 2bs2 h ILE 77 Ca 0.00 -0.04 -0.10 0.00 1.08 0.00 0.00 64.86 65.81 2bs2 h ILE 77 Cb 0.50 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 2bs2 h ILE 77 CO 0.00 0.00 0.01 0.58 -1.08 0.00 0.00 178.15 177.66 2bs2 h VAL 78 N 0.00 1.27 0.00 2.19 2.07 -1.51 -2.16 116.25 118.11 2bs2 h VAL 78 Ca 0.00 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 2bs2 h VAL 78 Cb 0.04 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2bs2 h VAL 78 CO 0.00 0.42 -0.31 0.58 0.02 0.00 0.00 177.57 178.28 2bs2 h VAL 79 N 0.97 1.14 -0.26 2.57 2.07 -1.17 -2.32 116.25 119.25 2bs2 h VAL 79 Ca 0.17 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2bs2 h VAL 79 Cb 0.55 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2bs2 h VAL 79 CO 0.03 0.30 0.06 0.28 0.02 0.00 0.00 177.57 178.26 2bs2 h SER 80 N 0.00 0.39 -0.62 0.57 0.02 -1.27 0.52 113.55 113.16 2bs2 h SER 80 Ca -0.00 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2bs2 h SER 80 Cb 0.57 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 2bs2 h SER 80 CO 0.04 0.52 0.11 -0.26 -1.14 0.00 0.00 176.83 176.10 2bs2 h PHE 81 N 0.25 1.11 -0.72 3.45 -1.00 -1.21 0.64 116.94 119.45 2bs2 h PHE 81 Ca 0.08 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.65 2bs2 h PHE 81 Cb 0.29 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 2bs2 h PHE 81 CO 0.01 0.93 0.19 1.25 -1.61 0.00 0.00 178.31 179.08 2bs2 h LEU 82 N 0.99 1.09 -0.39 1.54 7.12 -1.26 -0.58 115.31 123.82 2bs2 h LEU 82 Ca 0.20 -0.23 -0.08 0.00 0.13 0.00 0.00 57.88 57.90 2bs2 h LEU 82 Cb 0.42 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2bs2 h LEU 82 CO 0.01 1.03 -0.07 0.00 -0.13 0.00 0.00 178.44 179.29 2bs2 h ALA 83 N 1.10 0.53 -0.79 1.25 0.00 -0.45 -1.74 119.26 119.15 2bs2 h ALA 83 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2bs2 h ALA 83 Cb 0.36 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2bs2 h ALA 83 CO 0.00 0.37 0.36 0.00 0.00 0.00 0.00 179.25 179.99 2bs2 h ALA 84 N 0.85 1.15 0.06 0.00 0.00 -0.61 0.74 119.26 121.44 2bs2 h ALA 84 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bs2 h ALA 84 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bs2 h ALA 84 CO 0.03 0.64 -0.03 0.35 0.00 0.00 0.00 179.25 180.24 2bs2 h PHE 85 N 1.13 -0.08 -0.58 0.00 3.57 -0.92 -0.93 116.94 119.15 2bs2 h PHE 85 Ca 0.27 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2bs2 h PHE 85 Cb 0.14 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2bs2 h PHE 85 CO 0.02 0.12 0.22 0.28 -2.23 0.00 0.00 178.31 176.72 2bs2 h VAL 86 N -0.26 1.21 -0.53 1.41 2.07 -1.13 -1.89 116.25 117.13 2bs2 h VAL 86 Ca -0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2bs2 h VAL 86 Cb 0.23 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2bs2 h VAL 86 CO 0.01 0.26 0.34 0.15 0.02 0.00 0.00 177.57 178.36 2bs2 h PHE 87 N 0.83 0.67 -0.63 1.57 3.04 -0.62 0.18 116.94 121.98 2bs2 h PHE 87 Ca 0.20 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2bs2 h PHE 87 Cb 0.18 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 2bs2 h PHE 87 CO 0.01 0.44 0.37 0.00 -2.02 0.00 0.00 178.31 177.11 2bs2 h ALA 88 N 1.18 0.80 -0.47 2.41 0.00 -0.50 0.01 119.26 122.70 2bs2 h ALA 88 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2bs2 h ALA 88 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2bs2 h ALA 88 CO -0.04 0.29 -0.17 0.28 0.00 0.00 0.00 179.25 179.61 2bs2 h VAL 89 N 0.85 1.27 -0.21 0.00 2.07 -0.98 -0.71 116.25 118.54 2bs2 h VAL 89 Ca 0.22 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.47 2bs2 h VAL 89 Cb -0.01 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2bs2 h VAL 89 CO -0.04 0.45 -0.01 0.15 0.02 0.00 0.00 177.57 178.14 2bs2 h PHE 90 N 0.81 -0.04 -0.32 1.57 3.57 -0.10 0.15 116.94 122.57 2bs2 h PHE 90 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2bs2 h PHE 90 Cb 0.72 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2bs2 h PHE 90 CO 0.04 -0.05 0.04 0.82 -2.23 0.00 0.00 178.31 176.94 2bs2 h ILE 91 N 0.05 1.24 -0.48 1.41 2.04 -0.80 -1.69 117.51 119.28 2bs2 h ILE 91 Ca 0.10 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 2bs2 h ILE 91 Cb 0.13 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2bs2 h ILE 91 CO -0.18 0.28 0.27 0.00 0.00 0.00 0.00 178.15 178.52 2bs2 h ALA 92 N 0.88 0.62 -0.17 1.87 0.00 -0.86 -0.98 119.26 120.62 2bs2 h ALA 92 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bs2 h ALA 92 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2bs2 h ALA 92 CO 0.01 0.14 0.09 1.25 0.00 0.00 0.00 179.25 180.74 2bs2 h HIS 93 N 0.64 0.17 -0.75 0.00 -0.00 -0.61 -1.41 115.15 113.18 2bs2 h HIS 93 Ca 0.17 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.58 2bs2 h HIS 93 Cb 0.05 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 2bs2 h HIS 93 CO -0.02 0.10 0.48 0.00 -0.00 0.00 0.00 177.93 178.49 2bs2 h ALA 94 N 1.07 0.99 -0.20 5.26 0.00 -1.11 0.16 119.26 125.44 2bs2 h ALA 94 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2bs2 h ALA 94 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2bs2 h ALA 94 CO -0.03 0.28 0.02 0.35 0.00 0.00 0.00 179.25 179.86 2bs2 h PHE 95 N 0.93 0.03 -0.10 0.00 3.57 -0.82 -0.39 116.94 120.17 2bs2 h PHE 95 Ca 0.30 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 2bs2 h PHE 95 Cb 0.01 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2bs2 h PHE 95 CO -0.03 -0.00 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.65 2bs2 h LEU 96 N 0.09 0.45 -1.22 0.59 3.38 -0.85 -3.30 115.31 114.45 2bs2 h LEU 96 Ca 0.09 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 2bs2 h LEU 96 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2bs2 h LEU 96 CO -0.14 0.98 -0.35 0.00 0.09 0.00 0.00 178.44 179.03 2bs2 h ALA 97 N 0.48 1.19 -0.16 1.53 0.00 -0.66 -2.85 119.26 118.80 2bs2 h ALA 97 Ca -0.01 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2bs2 h ALA 97 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2bs2 h ALA 97 CO 0.07 0.43 0.19 1.98 0.00 0.00 0.00 179.25 181.92 2bs2 h MET 98 N 0.00 0.00 0.00 0.00 1.85 -1.14 -0.38 114.93 115.26 2bs2 h MET 98 Ca -0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2bs2 h MET 98 Cb 0.72 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.75 2bs2 h MET 98 CO 0.04 0.00 -0.01 0.00 -0.40 0.00 0.00 176.91 176.55 2bs2 h ARG 99 N 0.00 0.00 0.00 0.39 3.08 -1.66 -2.71 114.38 113.48 2bs2 h ARG 99 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2bs2 h ARG 99 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2bs2 h ARG 99 CO -0.00 0.01 -0.45 1.63 -1.07 0.00 0.00 179.97 180.08 2bs2 n LYS 100 N -3.68 0.05 -1.77 0.04 4.01 -0.15 -4.95 118.16 111.71 2bs2 n LYS 100 Ca -0.03 0.02 -0.35 0.00 -0.51 0.00 0.00 58.31 57.43 2bs2 n LYS 100 Cb 0.09 -1.54 0.06 0.00 -0.51 0.00 0.00 35.03 33.13 2bs2 n LYS 100 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2bs2 s PHE 101 N -3.03 2.25 0.32 2.13 0.08 -1.02 -4.94 117.98 113.76 2bs2 s PHE 101 Ca 0.11 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.41 2bs2 s PHE 101 Cb 0.17 -3.49 -0.10 0.00 -0.57 0.00 0.00 43.02 39.03 2bs2 s PHE 101 CO 0.68 -2.41 1.30 -2.14 -0.10 0.00 0.00 175.22 172.55 2bs2 s PRO 102 N -3.58 4.37 0.00 0.24 0.02 -1.26 -4.91 135.00 129.88 2bs2 s PRO 102 Ca 0.76 2.19 0.06 0.00 0.02 0.00 0.00 61.00 64.04 2bs2 s PRO 102 Cb -0.30 -3.09 0.05 0.00 0.02 0.00 0.00 34.50 31.18 2bs2 s PRO 102 CO 0.38 -0.18 0.71 1.51 -0.33 0.00 0.00 177.00 179.09 2bs2 n ILE 103 N 1.02 0.01 -4.08 2.83 0.13 -1.26 -4.87 119.36 113.14 2bs2 n ILE 103 Ca 0.01 -0.50 -0.10 0.00 -1.10 0.00 0.00 62.75 61.05 2bs2 n ILE 103 Cb 0.42 1.13 -0.07 0.00 -0.84 0.00 0.00 39.64 40.28 2bs2 n ILE 103 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2bs2 s ASN 104 N -0.54 0.01 0.17 9.51 2.20 -1.26 -5.04 114.94 119.99 2bs2 s ASN 104 Ca 0.08 -1.11 -0.18 0.00 -0.94 0.00 0.00 52.86 50.70 2bs2 s ASN 104 Cb 0.05 0.50 0.09 0.00 -2.00 0.00 0.00 41.25 39.89 2bs2 s ASN 104 CO 0.08 -1.02 1.65 0.22 -2.94 0.00 0.00 177.10 175.10 2bs2 h TYR 105 N 2.41 -0.35 -0.26 1.54 3.20 -1.98 -0.44 116.97 121.08 2bs2 h TYR 105 Ca -0.30 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.66 2bs2 h TYR 105 Cb 1.25 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.68 2bs2 h TYR 105 CO 0.38 -0.22 -0.05 0.00 -1.64 0.00 0.00 178.16 176.62 2bs2 h ARG 106 N -0.07 0.01 -0.60 1.82 2.47 -1.99 0.21 114.38 116.23 2bs2 h ARG 106 Ca 0.19 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 2bs2 h ARG 106 Cb 0.36 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 2bs2 h ARG 106 CO -0.43 0.01 0.31 1.96 0.56 0.00 0.00 179.97 182.38 2bs2 h GLN 107 N 0.01 0.86 -0.14 0.04 4.20 -1.84 -0.90 115.11 117.35 2bs2 h GLN 107 Ca 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2bs2 h GLN 107 Cb 0.18 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2bs2 h GLN 107 CO -0.25 0.68 0.04 -0.92 -0.67 0.00 0.00 178.83 177.70 2bs2 h TYR 108 N 0.82 0.23 -0.00 2.96 5.03 -0.69 -1.37 116.97 123.94 2bs2 h TYR 108 Ca 0.21 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 2bs2 h TYR 108 Cb 0.09 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.30 2bs2 h TYR 108 CO -0.00 0.36 0.00 1.25 -1.32 0.00 0.00 178.16 178.45 2bs2 h LEU 109 N 0.03 0.00 -0.90 2.82 5.85 -0.50 -1.36 115.31 121.25 2bs2 h LEU 109 Ca 0.04 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2bs2 h LEU 109 Cb 0.24 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2bs2 h LEU 109 CO -0.00 0.11 -0.26 0.71 -0.34 0.00 0.00 178.44 178.66 2bs2 h THR 110 N -0.11 1.27 -0.09 1.05 1.35 -1.18 -1.56 112.91 113.64 2bs2 h THR 110 Ca 0.00 -1.30 -0.14 0.00 -0.55 0.00 0.00 66.41 64.42 2bs2 h THR 110 Cb 0.11 1.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2bs2 h THR 110 CO -0.00 0.41 -0.50 0.15 -0.25 0.00 0.00 175.52 175.34 2bs2 h PHE 111 N 0.45 0.67 -0.63 4.73 3.04 -1.22 -1.39 116.94 122.58 2bs2 h PHE 111 Ca 0.06 -0.30 -0.01 0.00 3.98 0.00 0.00 57.97 61.70 2bs2 h PHE 111 Cb 0.69 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.07 2bs2 h PHE 111 CO 0.02 1.08 0.36 -0.22 -2.02 0.00 0.00 178.31 177.54 2bs2 h LYS 112 N 0.07 0.87 -0.37 1.11 3.64 -1.21 0.16 116.57 120.83 2bs2 h LYS 112 Ca -0.04 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2bs2 h LYS 112 Cb 1.15 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2bs2 h LYS 112 CO 0.10 0.64 0.16 1.15 -2.27 0.00 0.00 179.45 179.24 2bs2 h THR 113 N 0.86 1.18 -0.38 1.00 2.02 -1.32 -1.89 112.91 114.38 2bs2 h THR 113 Ca 0.22 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.88 2bs2 h THR 113 Cb 0.01 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2bs2 h THR 113 CO -0.04 0.20 0.22 -0.74 0.37 0.00 0.00 175.52 175.53 2bs2 h HIS 114 N 0.46 0.41 -0.63 3.16 -0.00 -0.73 -1.17 115.15 116.65 2bs2 h HIS 114 Ca 0.13 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.56 2bs2 h HIS 114 Cb 0.16 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.39 2bs2 h HIS 114 CO -0.01 0.23 0.35 -0.22 -0.00 0.00 0.00 177.93 178.29 2bs2 h LYS 115 N 0.44 0.64 -0.09 5.26 3.64 -0.49 0.13 116.57 126.10 2bs2 h LYS 115 Ca 0.15 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2bs2 h LYS 115 Cb 0.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2bs2 h LYS 115 CO -0.08 0.42 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.59 2bs2 h ASP 116 N 0.66 0.24 -0.01 4.20 3.32 -0.93 -2.32 116.42 121.56 2bs2 h ASP 116 Ca 0.28 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 2bs2 h ASP 116 Cb 0.16 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.65 2bs2 h ASP 116 CO -0.17 0.69 -0.63 -0.07 -1.72 0.00 0.00 179.24 177.34 2bs2 h LEU 117 N 0.18 0.58 -0.39 1.55 3.38 -0.82 -3.36 115.31 116.43 2bs2 h LEU 117 Ca 0.01 -0.74 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 2bs2 h LEU 117 Cb 0.93 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2bs2 h LEU 117 CO 0.07 1.25 -0.03 0.24 0.09 0.00 0.00 178.44 180.06 2bs2 h MET 118 N -0.03 0.71 -6.19 1.13 2.86 -0.97 -3.47 114.93 108.96 2bs2 h MET 118 Ca -0.08 -0.24 -0.45 0.00 -2.06 0.00 0.00 59.70 56.87 2bs2 h MET 118 Cb 1.33 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.94 2bs2 h MET 118 CO 0.13 0.81 -0.77 0.54 1.06 0.00 0.00 176.91 178.68 2bs2 n ARG 119 N -4.43 -5.57 -3.52 1.72 1.74 -0.88 -4.93 116.66 100.80 2bs2 n ARG 119 Ca -0.01 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.31 2bs2 n ARG 119 Cb 0.31 -5.43 -0.10 0.00 -1.02 0.00 0.00 32.46 26.21 2bs2 n ARG 119 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2bs2 s HIS 120 N -3.41 3.23 0.09 -1.55 2.46 -1.26 -5.02 115.29 109.83 2bs2 s HIS 120 Ca 0.45 0.22 -0.25 0.00 0.47 0.00 0.00 55.06 55.95 2bs2 s HIS 120 Cb -0.22 -2.45 -0.09 0.00 -0.13 0.00 0.00 32.58 29.69 2bs2 s HIS 120 CO 0.82 -0.19 1.41 0.78 -2.47 0.00 0.00 174.74 175.09 2bs2 h GLY 121 N 8.46 -1.23 2.00 1.59 0.00 -1.98 -0.75 103.07 111.15 2bs2 h GLY 121 Ca -0.34 0.72 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2bs2 h GLY 121 CO 0.58 -0.28 -0.05 -0.55 0.00 0.00 0.00 176.54 176.24 2bs2 h ASP 122 N -0.36 0.00 0.00 0.19 5.19 -1.99 -0.16 116.42 119.29 2bs2 h ASP 122 Ca 0.04 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.30 2bs2 h ASP 122 Cb 0.48 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.00 2bs2 h ASP 122 CO -0.40 0.05 -0.61 0.74 -3.12 0.00 0.00 179.24 175.90 2bs2 h THR 123 N 0.00 1.43 -0.78 0.35 2.02 -1.86 -3.00 112.91 111.07 2bs2 h THR 123 Ca -0.00 -2.09 -0.04 0.00 0.77 0.00 0.00 66.41 65.05 2bs2 h THR 123 Cb 0.13 2.61 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 2bs2 h THR 123 CO 0.01 0.61 0.34 0.74 0.37 0.00 0.00 175.52 177.59 2bs2 h THR 124 N -0.11 1.25 0.00 3.16 2.02 -0.49 -2.09 112.91 116.65 2bs2 h THR 124 Ca -0.08 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 2bs2 h THR 124 Cb 1.32 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2bs2 h THR 124 CO 0.12 0.31 -0.14 -0.07 0.37 0.00 0.00 175.52 176.11 2bs2 h LEU 125 N 1.12 0.00 -0.26 2.58 3.38 -1.09 -1.94 115.31 119.10 2bs2 h LEU 125 Ca 0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 2bs2 h LEU 125 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2bs2 h LEU 125 CO -0.03 0.14 -0.50 -0.25 0.09 0.00 0.00 178.44 177.89 2bs2 h TRP 126 N 0.00 1.00 -0.92 1.13 7.01 -1.23 -1.07 115.95 121.87 2bs2 h TRP 126 Ca -0.00 -0.36 0.06 0.00 2.11 0.00 0.00 58.89 60.70 2bs2 h TRP 126 Cb 0.30 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 2bs2 h TRP 126 CO 0.00 1.17 0.58 2.35 -2.79 0.00 0.00 178.44 179.75 2bs2 h TRP 127 N 0.54 1.07 -0.61 2.65 2.91 -1.17 0.40 115.95 121.75 2bs2 h TRP 127 Ca 0.01 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.02 2bs2 h TRP 127 Cb 1.11 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 2bs2 h TRP 127 CO 0.08 0.55 0.22 0.82 -1.03 0.00 0.00 178.44 179.08 2bs2 h ILE 128 N 1.06 1.24 -0.29 2.65 2.04 -1.18 0.60 117.51 123.62 2bs2 h ILE 128 Ca 0.40 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.54 2bs2 h ILE 128 Cb 0.17 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2bs2 h ILE 128 CO -0.17 0.30 0.01 1.56 0.00 0.00 0.00 178.15 179.85 2bs2 h GLN 129 N 0.86 0.10 -0.22 2.37 4.20 0.24 0.71 115.11 123.38 2bs2 h GLN 129 Ca 0.20 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2bs2 h GLN 129 Cb 0.24 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2bs2 h GLN 129 CO -0.01 0.07 0.08 0.00 -0.67 0.00 0.00 178.83 178.29 2bs2 h ALA 130 N 1.24 0.28 0.22 3.87 0.00 -0.62 -0.45 119.26 123.80 2bs2 h ALA 130 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2bs2 h ALA 130 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bs2 h ALA 130 CO -0.22 -0.11 -0.10 0.52 0.00 0.00 0.00 179.25 179.33 2bs2 h MET 131 N 0.19 -0.28 -0.38 0.00 2.86 -0.58 -0.87 114.93 115.87 2bs2 h MET 131 Ca 0.07 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2bs2 h MET 131 Cb 0.20 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2bs2 h MET 131 CO -0.00 -0.19 0.13 1.79 1.06 0.00 0.00 176.91 179.70 2bs2 h THR 132 N -0.29 1.16 -0.20 2.22 1.35 -0.86 -1.65 112.91 114.64 2bs2 h THR 132 Ca -0.03 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 2bs2 h THR 132 Cb 0.22 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2bs2 h THR 132 CO 0.05 0.19 0.03 1.23 -0.25 0.00 0.00 175.52 176.77 2bs2 h GLY 133 N 0.71 0.35 1.01 5.82 0.00 -0.70 -1.81 103.07 108.45 2bs2 h GLY 133 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2bs2 h GLY 133 CO -0.01 0.21 0.49 -2.75 0.00 0.00 0.00 176.54 174.48 2bs2 h PHE 134 N 0.12 0.96 -0.65 5.60 3.57 -0.74 -2.50 116.94 123.30 2bs2 h PHE 134 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2bs2 h PHE 134 Cb 0.31 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2bs2 h PHE 134 CO 0.02 0.62 0.29 0.00 -2.23 0.00 0.00 178.31 177.01 2bs2 h ALA 135 N 1.27 1.30 0.00 2.41 0.00 -1.18 -2.56 119.26 120.50 2bs2 h ALA 135 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bs2 h ALA 135 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2bs2 h ALA 135 CO -0.06 0.53 0.00 -1.33 0.00 0.00 0.00 179.25 178.40 2bs2 n MET 136 N -4.33 0.02 -0.22 0.00 2.81 -0.69 -1.94 117.12 112.77 2bs2 n MET 136 Ca 0.06 0.27 -0.06 0.00 -1.81 0.00 0.00 57.70 56.16 2bs2 n MET 136 Cb 0.14 -1.54 0.04 0.00 -0.71 0.00 0.00 33.22 31.15 2bs2 n MET 136 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2bs2 h PHE 137 N 0.00 0.81 0.15 2.03 0.04 -1.41 -0.86 116.94 117.69 2bs2 h PHE 137 Ca 0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 2bs2 h PHE 137 Cb 0.26 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2bs2 h PHE 137 CO 0.00 0.54 -1.86 0.74 -0.60 0.00 0.00 178.31 177.12 2bs2 h PHE 138 N 0.84 0.57 -0.03 -0.55 -1.00 -1.61 -3.33 116.94 111.83 2bs2 h PHE 138 Ca 0.22 -0.41 -0.12 0.00 2.81 0.00 0.00 57.97 60.47 2bs2 h PHE 138 Cb -0.05 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.50 2bs2 h PHE 138 CO -0.02 1.73 -0.46 -0.07 -1.61 0.00 0.00 178.31 177.88 2bs2 h LEU 139 N 0.05 0.46 -0.55 1.54 3.38 -1.42 -3.33 115.31 115.44 2bs2 h LEU 139 Ca -0.39 -0.72 -0.12 0.00 0.09 0.00 0.00 57.88 56.74 2bs2 h LEU 139 Cb 2.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2bs2 h LEU 139 CO 0.12 1.11 -0.15 1.23 0.09 0.00 0.00 178.44 180.84 2bs2 h GLY 140 N -0.15 1.10 0.80 0.83 0.00 -1.37 -3.24 103.07 101.03 2bs2 h GLY 140 Ca -0.05 -0.91 0.05 0.00 0.00 0.00 0.00 47.33 46.41 2bs2 h GLY 140 CO 0.09 0.84 0.54 1.76 0.00 0.00 0.00 176.54 179.77 2bs2 h SER 141 N 0.89 0.88 -0.12 0.19 0.02 -1.67 -1.32 113.55 112.42 2bs2 h SER 141 Ca 0.13 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2bs2 h SER 141 Cb 0.72 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2bs2 h SER 141 CO 0.06 0.58 0.02 0.58 -1.14 0.00 0.00 176.83 176.93 2bs2 h VAL 142 N 1.02 0.95 -0.25 2.27 2.07 -1.66 -1.78 116.25 118.88 2bs2 h VAL 142 Ca 0.36 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.81 2bs2 h VAL 142 Cb 0.08 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2bs2 h VAL 142 CO -0.14 0.01 -0.02 -0.74 0.02 0.00 0.00 177.57 176.70 2bs2 h HIS 143 N 0.07 0.50 -0.66 1.57 6.17 -1.57 -2.90 115.15 118.33 2bs2 h HIS 143 Ca 0.05 -0.09 0.01 0.00 0.71 0.00 0.00 60.37 61.05 2bs2 h HIS 143 Cb 0.05 -0.13 -0.04 0.00 2.52 0.00 0.00 27.41 29.81 2bs2 h HIS 143 CO -0.12 0.64 0.43 -0.07 0.71 0.00 0.00 177.93 179.52 2bs2 h LEU 144 N 0.22 0.72 -0.61 0.26 3.38 -1.15 -1.48 115.31 116.65 2bs2 h LEU 144 Ca 0.07 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2bs2 h LEU 144 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2bs2 h LEU 144 CO 0.02 0.52 0.18 0.22 0.09 0.00 0.00 178.44 179.46 2bs2 h TYR 145 N 0.86 0.99 -0.29 1.13 3.20 -1.34 -1.89 116.97 119.62 2bs2 h TYR 145 Ca 0.25 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2bs2 h TYR 145 Cb -0.06 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 2bs2 h TYR 145 CO -0.03 0.82 0.10 0.82 -1.64 0.00 0.00 178.16 178.22 2bs2 h ILE 146 N 0.87 1.19 -0.47 1.81 2.04 -1.28 -0.75 117.51 120.93 2bs2 h ILE 146 Ca 0.20 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2bs2 h ILE 146 Cb 0.30 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2bs2 h ILE 146 CO -0.00 0.21 0.17 0.24 0.00 0.00 0.00 178.15 178.76 2bs2 h MET 147 N 0.31 0.68 0.00 2.37 2.86 -1.19 0.25 114.93 120.21 2bs2 h MET 147 Ca 0.09 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 2bs2 h MET 147 Cb 0.23 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2bs2 h MET 147 CO -0.00 0.58 -0.71 1.98 1.06 0.00 0.00 176.91 179.81 2bs2 h MET 148 N 0.67 0.00 0.00 1.72 1.85 -1.07 -3.22 114.93 114.88 2bs2 h MET 148 Ca 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 2bs2 h MET 148 Cb 0.17 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.20 2bs2 h MET 148 CO -0.01 0.71 -1.25 0.25 -0.40 0.00 0.00 176.91 176.21 2bs2 n THR 149 N -3.62 0.00 -2.57 -0.77 -2.24 -0.31 -4.56 114.28 100.21 2bs2 n THR 149 Ca -0.01 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 2bs2 n THR 149 Cb 0.71 0.59 0.02 0.00 -2.10 0.00 0.00 70.33 69.55 2bs2 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bs2 n GLN 150 N -1.72 2.13 0.28 -0.78 6.02 0.86 -4.91 117.38 119.27 2bs2 n GLN 150 Ca 0.00 -3.76 0.14 0.00 -0.01 0.00 0.00 57.00 53.37 2bs2 n GLN 150 Cb 0.35 -1.69 0.82 0.00 1.02 0.00 0.00 30.24 30.75 2bs2 n GLN 150 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bs2 h PRO 151 N 2.76 0.00 0.00 -1.09 0.13 -1.74 -1.66 132.00 130.40 2bs2 h PRO 151 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2bs2 h PRO 151 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2bs2 h PRO 151 CO 0.60 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2bs2 n GLN 152 N -3.83 0.75 -0.65 0.86 0.00 -1.26 -2.81 117.38 110.44 2bs2 n GLN 152 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.03 2bs2 n GLN 152 Cb 0.14 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.17 2bs2 n GLN 152 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2bs2 n THR 153 N -1.01 2.50 -3.66 -0.39 -2.24 -0.62 -4.18 114.28 104.68 2bs2 n THR 153 Ca 0.18 -1.83 -0.36 0.00 -2.27 0.00 0.00 64.05 59.77 2bs2 n THR 153 Cb 0.09 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 2bs2 n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bs2 s ILE 154 N -2.88 5.36 0.00 2.28 1.01 -1.12 -3.51 121.20 122.34 2bs2 s ILE 154 Ca 0.47 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2bs2 s ILE 154 Cb 0.38 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2bs2 s ILE 154 CO 0.10 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2bs2 n GLY 155 N 4.19 0.20 0.31 6.18 0.00 -1.26 -4.85 105.19 109.95 2bs2 n GLY 155 Ca -0.15 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.87 2bs2 n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bs2 h PRO 156 N 0.00 0.35 0.00 1.61 0.13 -1.93 -0.37 132.00 131.78 2bs2 h PRO 156 Ca 0.00 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 2bs2 h PRO 156 Cb 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.03 2bs2 h PRO 156 CO 0.00 0.23 -1.23 0.28 -0.23 0.00 0.00 178.00 177.05 2bs2 n VAL 157 N -4.49 1.49 -0.23 1.56 0.31 -1.26 -4.01 118.33 111.70 2bs2 n VAL 157 Ca 0.03 0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.33 2bs2 n VAL 157 Cb 0.14 -2.18 0.06 0.00 -0.91 0.00 0.00 33.84 30.96 2bs2 n VAL 157 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2bs2 h SER 158 N -1.00 0.67 -0.18 4.52 0.02 -1.64 -1.67 113.55 114.27 2bs2 h SER 158 Ca -0.24 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 2bs2 h SER 158 Cb 1.06 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2bs2 h SER 158 CO -0.15 0.47 -0.13 0.28 -1.14 0.00 0.00 176.83 176.16 2bs2 h SER 159 N 0.80 0.55 0.36 3.07 0.02 -1.10 -1.94 113.55 115.31 2bs2 h SER 159 Ca 0.26 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2bs2 h SER 159 Cb 0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2bs2 h SER 159 CO -0.10 0.71 -0.40 0.28 -1.14 0.00 0.00 176.83 176.18 2bs2 h SER 160 N 0.52 0.06 0.67 3.07 0.02 -1.58 -1.83 113.55 114.48 2bs2 h SER 160 Ca 0.09 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2bs2 h SER 160 Cb 0.53 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.06 2bs2 h SER 160 CO 0.03 0.46 -0.32 0.15 -1.14 0.00 0.00 176.83 176.01 2bs2 h PHE 161 N 0.05 -0.83 -0.90 3.45 3.57 -0.55 -2.39 116.94 119.33 2bs2 h PHE 161 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2bs2 h PHE 161 Cb 0.74 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.68 2bs2 h PHE 161 CO 0.00 -0.48 0.55 -0.09 -2.23 0.00 0.00 178.31 176.06 2bs2 h ARG 162 N -1.07 0.88 -0.91 1.11 2.43 -1.41 0.45 114.38 115.87 2bs2 h ARG 162 Ca -0.09 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2bs2 h ARG 162 Cb 0.72 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 2bs2 h ARG 162 CO 0.15 0.58 0.57 1.98 -1.51 0.00 0.00 179.97 181.74 2bs2 h MET 163 N 0.91 0.98 0.00 0.20 4.05 -1.24 -2.79 114.93 117.04 2bs2 h MET 163 Ca 0.43 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.71 2bs2 h MET 163 Cb 0.37 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2bs2 h MET 163 CO -0.24 0.65 -1.04 0.28 0.23 0.00 0.00 176.91 176.79 2bs2 n VAL 164 N -4.60 1.32 -0.33 -5.77 0.31 -0.81 -1.55 118.33 106.90 2bs2 n VAL 164 Ca 0.14 0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.53 2bs2 n VAL 164 Cb 0.21 -2.01 0.08 0.00 -0.91 0.00 0.00 33.84 31.21 2bs2 n VAL 164 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2bs2 h SER 165 N -0.68 1.11 -0.43 4.52 0.02 -0.30 -2.33 113.55 115.47 2bs2 h SER 165 Ca -0.13 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2bs2 h SER 165 Cb 0.87 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2bs2 h SER 165 CO -0.08 0.90 0.00 -0.62 -1.14 0.00 0.00 176.83 175.90 2bs2 n GLU 166 N -4.33 2.45 -3.87 3.45 1.02 -1.15 -4.95 120.64 113.25 2bs2 n GLU 166 Ca 0.09 -1.74 -0.31 0.00 -0.02 0.00 0.00 57.16 55.19 2bs2 n GLU 166 Cb 0.11 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 2bs2 n GLU 166 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2bs2 n TRP 167 N 0.71 -1.70 0.98 -0.32 7.02 -0.88 -4.90 117.44 118.35 2bs2 n TRP 167 Ca 0.16 0.54 0.10 0.00 -1.02 0.00 0.00 57.50 57.28 2bs2 n TRP 167 Cb 0.52 -3.47 -0.10 0.00 -2.42 0.00 0.00 31.31 25.83 2bs2 n TRP 167 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2bs2 n MET 168 N -4.40 0.01 -0.02 -0.99 2.81 -1.06 -4.45 117.12 109.02 2bs2 n MET 168 Ca -0.20 -0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.67 2bs2 n MET 168 Cb 0.63 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.90 2bs2 n MET 168 CO 0.00 0.00 0.00 0.11 1.51 0.00 0.00 175.97 177.59 2bs2 h TRP 169 N 0.00 0.60 -0.65 2.03 5.08 -1.53 -1.25 115.95 120.21 2bs2 h TRP 169 Ca 0.00 -0.07 -0.06 0.00 1.08 0.00 0.00 58.89 59.84 2bs2 h TRP 169 Cb 0.51 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 26.47 2bs2 h TRP 169 CO 0.00 0.61 0.18 -1.00 -1.28 0.00 0.00 178.44 176.95 2bs2 h PRO 170 N 0.53 1.01 -0.32 0.12 0.13 -1.87 0.06 132.00 131.66 2bs2 h PRO 170 Ca 0.11 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 2bs2 h PRO 170 Cb 0.41 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2bs2 h PRO 170 CO 0.02 0.88 -0.09 1.25 -0.23 0.00 0.00 178.00 179.83 2bs2 h LEU 171 N 0.97 0.64 -0.96 1.56 6.46 -1.77 -2.86 115.31 119.35 2bs2 h LEU 171 Ca 0.21 -0.37 -0.06 0.00 -0.12 0.00 0.00 57.88 57.54 2bs2 h LEU 171 Cb 0.30 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2bs2 h LEU 171 CO -0.00 0.86 0.14 1.88 -0.62 0.00 0.00 178.44 180.69 2bs2 h TYR 172 N 0.41 0.92 -0.02 1.25 0.05 -0.97 -0.35 116.97 118.26 2bs2 h TYR 172 Ca 0.08 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2bs2 h TYR 172 Cb 0.59 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 2bs2 h TYR 172 CO 0.05 0.77 0.01 1.25 -1.05 0.00 0.00 178.16 179.19 2bs2 h LEU 173 N 0.86 0.02 -0.02 3.88 5.85 -0.91 0.57 115.31 125.55 2bs2 h LEU 173 Ca 0.19 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2bs2 h LEU 173 Cb 0.32 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2bs2 h LEU 173 CO -0.00 0.11 -0.00 0.58 -0.34 0.00 0.00 178.44 178.79 2bs2 h VAL 174 N -0.07 1.26 -0.55 1.05 2.07 -1.41 -3.05 116.25 115.54 2bs2 h VAL 174 Ca 0.01 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2bs2 h VAL 174 Cb 0.10 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2bs2 h VAL 174 CO -0.00 0.20 0.37 0.25 0.02 0.00 0.00 177.57 178.41 2bs2 h LEU 175 N -0.28 0.36 0.12 2.57 5.85 -1.01 -0.90 115.31 122.02 2bs2 h LEU 175 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2bs2 h LEU 175 Cb 0.33 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2bs2 h LEU 175 CO 0.00 0.23 -0.12 0.25 -0.34 0.00 0.00 178.44 178.45 2bs2 h LEU 176 N 0.40 -0.33 -0.60 2.25 5.85 -0.77 0.11 115.31 122.22 2bs2 h LEU 176 Ca 0.25 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.86 2bs2 h LEU 176 Cb 0.45 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2bs2 h LEU 176 CO -0.07 -0.19 -0.46 -0.26 -0.34 0.00 0.00 178.44 177.13 2bs2 h PHE 177 N -0.27 0.70 0.21 1.25 -1.00 -1.44 -2.19 116.94 114.19 2bs2 h PHE 177 Ca 0.01 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 2bs2 h PHE 177 Cb 0.26 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.68 2bs2 h PHE 177 CO -0.13 0.93 -0.10 0.00 -1.61 0.00 0.00 178.31 177.40 2bs2 h ALA 178 N 1.04 -0.28 0.00 2.45 0.00 -0.91 -1.78 119.26 119.78 2bs2 h ALA 178 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2bs2 h ALA 178 Cb 0.98 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2bs2 h ALA 178 CO 0.09 -0.59 -0.63 -0.24 0.00 0.00 0.00 179.25 177.88 2bs2 h VAL 179 N -0.42 1.40 -0.06 0.00 3.04 -0.85 -1.97 116.25 117.39 2bs2 h VAL 179 Ca -0.03 -2.19 -0.23 0.00 -1.01 0.00 0.00 66.70 63.24 2bs2 h VAL 179 Cb 0.32 2.20 0.01 0.00 -2.01 0.00 0.00 31.29 31.81 2bs2 h VAL 179 CO 0.05 0.62 -0.87 -0.08 -1.01 0.00 0.00 177.57 176.27 2bs2 h GLU 180 N 0.00 0.59 -0.09 4.17 4.57 -1.38 0.36 114.58 122.80 2bs2 h GLU 180 Ca -0.01 -0.55 -0.13 0.00 -1.18 0.00 0.00 59.36 57.49 2bs2 h GLU 180 Cb 1.15 0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2bs2 h GLU 180 CO 0.08 1.17 -0.46 -0.07 -1.18 0.00 0.00 179.01 178.55 2bs2 h LEU 181 N 0.37 0.56 -0.20 1.64 3.38 -1.35 -2.36 115.31 117.35 2bs2 h LEU 181 Ca -0.07 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 2bs2 h LEU 181 Cb 1.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2bs2 h LEU 181 CO 0.16 1.12 0.11 -0.74 0.09 0.00 0.00 178.44 179.18 2bs2 h HIS 182 N 0.04 0.27 -0.21 1.13 2.76 -1.38 -2.38 115.15 115.38 2bs2 h HIS 182 Ca -0.03 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 2bs2 h HIS 182 Cb 1.11 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2bs2 h HIS 182 CO 0.12 0.25 -0.00 0.78 -1.30 0.00 0.00 177.93 177.77 2bs2 h GLY 183 N 0.22 0.40 0.88 5.26 0.00 -0.98 -0.32 103.07 108.54 2bs2 h GLY 183 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2bs2 h GLY 183 CO -0.01 0.27 0.00 1.48 0.00 0.00 0.00 176.54 178.29 2bs2 h SER 184 N 0.13 0.52 -0.55 0.19 4.64 -1.46 -0.01 113.55 117.01 2bs2 h SER 184 Ca 0.06 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 2bs2 h SER 184 Cb 0.41 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2bs2 h SER 184 CO 0.01 0.70 0.09 0.58 -0.87 0.00 0.00 176.83 177.34 2bs2 h VAL 185 N 0.33 1.25 -0.73 0.95 2.07 -1.48 -1.83 116.25 116.80 2bs2 h VAL 185 Ca 0.09 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2bs2 h VAL 185 Cb 0.43 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2bs2 h VAL 185 CO 0.01 0.36 0.38 1.23 0.02 0.00 0.00 177.57 179.58 2bs2 h GLY 186 N 1.02 1.11 1.37 2.17 0.00 -0.71 0.01 103.07 108.04 2bs2 h GLY 186 Ca 0.18 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 2bs2 h GLY 186 CO 0.01 0.50 -0.43 1.41 0.00 0.00 0.00 176.54 178.03 2bs2 h LEU 187 N 1.02 0.73 0.49 3.11 3.38 -0.80 -1.63 115.31 121.61 2bs2 h LEU 187 Ca 0.26 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2bs2 h LEU 187 Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2bs2 h LEU 187 CO -0.04 1.06 -0.23 0.22 0.09 0.00 0.00 178.44 179.54 2bs2 h TYR 188 N 0.55 -0.61 -0.30 1.13 3.20 -0.95 -2.40 116.97 117.60 2bs2 h TYR 188 Ca 0.04 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2bs2 h TYR 188 Cb 0.97 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 2bs2 h TYR 188 CO 0.05 -0.33 0.17 -0.09 -1.64 0.00 0.00 178.16 176.32 2bs2 h ARG 189 N -0.75 0.40 -0.74 1.82 2.43 -0.99 -1.17 114.38 115.38 2bs2 h ARG 189 Ca -0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2bs2 h ARG 189 Cb 0.55 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2bs2 h ARG 189 CO 0.11 0.29 0.48 1.25 -1.51 0.00 0.00 179.97 180.59 2bs2 h LEU 190 N 0.41 0.82 -0.44 3.80 5.85 -1.11 0.45 115.31 125.09 2bs2 h LEU 190 Ca 0.11 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2bs2 h LEU 190 Cb -0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2bs2 h LEU 190 CO -0.02 0.59 0.07 0.00 -0.34 0.00 0.00 178.44 178.74 2bs2 h ALA 191 N 1.29 0.58 0.00 1.25 0.00 -0.71 -2.12 119.26 119.55 2bs2 h ALA 191 Ca 0.28 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2bs2 h ALA 191 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2bs2 h ALA 191 CO -0.08 0.30 -0.39 -0.39 0.00 0.00 0.00 179.25 178.70 2bs2 h VAL 192 N 0.58 0.70 -0.19 0.00 -1.51 -1.14 0.21 116.25 114.91 2bs2 h VAL 192 Ca 0.13 -1.87 -0.08 0.00 -1.23 0.00 0.00 66.70 63.65 2bs2 h VAL 192 Cb 0.38 2.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2bs2 h VAL 192 CO 0.01 0.38 -0.20 0.50 -1.23 0.00 0.00 177.57 177.02 2bs2 h LYS 193 N 0.00 0.47 0.00 5.19 3.64 0.06 -3.28 116.57 122.65 2bs2 h LYS 193 Ca -0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2bs2 h LYS 193 Cb 1.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2bs2 h LYS 193 CO 0.05 0.83 -1.00 0.91 -2.27 0.00 0.00 179.45 177.97 2bs2 n TRP 194 N -4.45 0.05 -3.62 1.91 7.02 -0.81 -5.00 117.44 112.54 2bs2 n TRP 194 Ca -0.06 0.01 -0.27 0.00 -1.02 0.00 0.00 57.50 56.17 2bs2 n TRP 194 Cb 0.41 -0.17 0.03 0.00 -2.42 0.00 0.00 31.31 29.15 2bs2 n TRP 194 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2bs2 n GLY 195 N 1.45 -0.51 0.32 6.99 0.00 0.75 -4.88 105.19 109.31 2bs2 n GLY 195 Ca 0.03 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.32 2bs2 n GLY 195 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2bs2 h TRP 196 N -1.81 0.25 -0.30 1.61 6.55 -1.88 -2.89 115.95 117.49 2bs2 h TRP 196 Ca -0.54 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.31 2bs2 h TRP 196 Cb 1.36 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.57 2bs2 h TRP 196 CO 0.58 0.14 0.00 1.19 -1.05 0.00 0.00 178.44 179.30 2bs2 n PHE 197 N -4.48 0.66 -0.01 0.49 3.72 -1.26 -4.78 117.46 111.80 2bs2 n PHE 197 Ca 0.04 -0.67 -0.10 0.00 -0.05 0.00 0.00 57.45 56.68 2bs2 n PHE 197 Cb 0.24 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2bs2 n PHE 197 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2bs2 h ASP 198 N 1.87 -0.86 0.00 4.37 3.32 -1.85 -3.47 116.42 119.80 2bs2 h ASP 198 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2bs2 h ASP 198 Cb 1.04 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2bs2 h ASP 198 CO 0.10 -0.32 0.00 0.61 -1.72 0.00 0.00 179.24 177.91 2bs2 n GLY 199 N -1.39 1.95 0.08 2.75 0.00 -1.26 -3.29 105.19 104.03 2bs2 n GLY 199 Ca -0.02 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.49 2bs2 n GLY 199 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bs2 n GLU 200 N 11.87 0.63 -3.29 1.61 1.02 -1.26 -4.55 120.64 126.67 2bs2 n GLU 200 Ca 0.00 0.04 -0.26 0.00 -0.02 0.00 0.00 57.16 56.92 2bs2 n GLU 200 Cb 0.00 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 2bs2 n GLU 200 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bs2 n THR 201 N -2.61 2.05 -0.31 2.62 -2.24 -1.24 -4.97 114.28 107.58 2bs2 n THR 201 Ca -0.06 -5.13 0.11 0.00 -2.27 0.00 0.00 64.05 56.70 2bs2 n THR 201 Cb 0.67 -1.88 0.24 0.00 -2.10 0.00 0.00 70.33 67.27 2bs2 n THR 201 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2bs2 h PRO 202 N 3.87 0.06 -0.50 -0.78 0.11 -1.79 0.37 132.00 133.34 2bs2 h PRO 202 Ca 0.17 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2bs2 h PRO 202 Cb 0.67 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2bs2 h PRO 202 CO 0.78 0.04 0.21 -0.44 -0.21 0.00 0.00 178.00 178.38 2bs2 h ASP 203 N 0.06 0.65 -0.25 -2.05 3.32 -1.93 -0.77 116.42 115.45 2bs2 h ASP 203 Ca 0.53 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.36 2bs2 h ASP 203 Cb 1.04 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2bs2 h ASP 203 CO -0.81 0.58 -0.43 0.11 -1.72 0.00 0.00 179.24 176.96 2bs2 h LYS 204 N 0.71 0.73 -0.73 3.56 1.57 -1.34 -1.64 116.57 119.44 2bs2 h LYS 204 Ca 0.17 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2bs2 h LYS 204 Cb 0.12 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2bs2 h LYS 204 CO -0.02 1.08 0.45 1.15 -0.57 0.00 0.00 179.45 181.53 2bs2 h THR 205 N 0.46 1.20 -0.53 -0.16 2.02 -0.98 -1.21 112.91 113.72 2bs2 h THR 205 Ca 0.02 -0.44 -0.12 0.00 0.77 0.00 0.00 66.41 66.64 2bs2 h THR 205 Cb 1.03 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2bs2 h THR 205 CO 0.10 0.21 -0.12 -0.09 0.37 0.00 0.00 175.52 175.98 2bs2 h ARG 206 N 0.99 1.01 -0.89 6.66 2.43 -1.11 -0.38 114.38 123.10 2bs2 h ARG 206 Ca 0.26 -0.39 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2bs2 h ARG 206 Cb -0.05 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2bs2 h ARG 206 CO -0.05 1.07 0.59 0.00 -1.51 0.00 0.00 179.97 180.07 2bs2 h ALA 207 N 0.91 1.13 -0.25 2.80 0.00 -0.88 -0.86 119.26 122.12 2bs2 h ALA 207 Ca 0.13 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2bs2 h ALA 207 Cb 0.69 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bs2 h ALA 207 CO 0.05 0.54 -0.61 -0.91 0.00 0.00 0.00 179.25 178.32 2bs2 h ASN 208 N 1.21 0.95 -0.40 0.00 2.35 -1.01 -2.72 115.58 115.96 2bs2 h ASN 208 Ca 0.33 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 2bs2 h ASN 208 Cb -0.14 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.93 2bs2 h ASN 208 CO -0.07 1.34 0.18 -0.07 -1.65 0.00 0.00 177.43 177.15 2bs2 h LEU 209 N 0.63 0.58 -0.46 1.61 3.38 -0.69 0.12 115.31 120.47 2bs2 h LEU 209 Ca -0.00 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2bs2 h LEU 209 Cb 1.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2bs2 h LEU 209 CO 0.13 0.53 -0.15 0.11 0.09 0.00 0.00 178.44 179.15 2bs2 h LYS 210 N 0.64 0.92 -0.23 1.13 1.57 -1.09 0.06 116.57 119.57 2bs2 h LYS 210 Ca 0.16 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2bs2 h LYS 210 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2bs2 h LYS 210 CO -0.02 1.03 -0.02 0.87 -0.57 0.00 0.00 179.45 180.74 2bs2 h LYS 211 N 0.76 0.43 -0.34 3.15 1.57 -1.08 -2.34 116.57 118.71 2bs2 h LYS 211 Ca 0.11 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2bs2 h LYS 211 Cb 0.71 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2bs2 h LYS 211 CO 0.05 0.63 0.11 1.25 -0.57 0.00 0.00 179.45 180.92 2bs2 h LEU 212 N 0.18 0.10 -0.53 2.94 5.85 -0.68 -1.78 115.31 121.40 2bs2 h LEU 212 Ca 0.06 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.92 2bs2 h LEU 212 Cb 0.45 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2bs2 h LEU 212 CO 0.02 0.09 0.06 0.50 -0.34 0.00 0.00 178.44 178.77 2bs2 h LYS 213 N 0.25 0.18 -0.57 1.25 3.64 -0.83 0.41 116.57 120.91 2bs2 h LYS 213 Ca 0.16 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2bs2 h LYS 213 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2bs2 h LYS 213 CO -0.17 0.12 0.17 1.15 -2.27 0.00 0.00 179.45 178.45 2bs2 h THR 214 N 0.19 1.24 -0.06 1.00 2.02 -0.91 -2.23 112.91 114.16 2bs2 h THR 214 Ca 0.27 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 2bs2 h THR 214 Cb 0.39 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2bs2 h THR 214 CO -0.39 0.31 -0.00 -0.07 0.37 0.00 0.00 175.52 175.74 2bs2 h LEU 215 N 0.80 0.11 -0.73 2.58 -0.00 -0.77 -1.33 115.31 115.97 2bs2 h LEU 215 Ca 0.18 -0.31 0.13 0.00 -0.00 0.00 0.00 57.88 57.88 2bs2 h LEU 215 Cb 0.30 -0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 2bs2 h LEU 215 CO -0.00 0.40 0.28 -0.03 -0.00 0.00 0.00 178.44 179.09 2bs2 h MET 216 N -0.18 0.42 -0.14 1.13 4.05 -0.89 0.11 114.93 119.43 2bs2 h MET 216 Ca 0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2bs2 h MET 216 Cb 0.34 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2bs2 h MET 216 CO 0.00 0.28 0.05 0.77 0.23 0.00 0.00 176.91 178.24 2bs2 h SER 217 N 0.43 0.19 0.32 1.39 0.02 -1.28 -1.74 113.55 112.89 2bs2 h SER 217 Ca 0.39 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2bs2 h SER 217 Cb 0.58 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2bs2 h SER 217 CO -0.39 0.33 -0.30 0.00 -1.14 0.00 0.00 176.83 175.33 2bs2 h ALA 218 N 0.87 -0.64 -0.26 3.77 0.00 -0.17 0.12 119.26 122.96 2bs2 h ALA 218 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2bs2 h ALA 218 Cb 0.20 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2bs2 h ALA 218 CO -0.00 -0.89 -0.09 0.35 0.00 0.00 0.00 179.25 178.62 2bs2 h PHE 219 N -0.64 -0.21 -0.30 0.00 3.57 -0.84 -1.71 116.94 116.81 2bs2 h PHE 219 Ca -0.02 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2bs2 h PHE 219 Cb 0.57 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2bs2 h PHE 219 CO -0.17 -0.15 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.53 2bs2 h LEU 220 N -0.04 0.53 -0.02 0.59 3.38 -1.19 -0.62 115.31 117.94 2bs2 h LEU 220 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bs2 h LEU 220 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2bs2 h LEU 220 CO -0.29 0.71 -0.00 0.40 0.09 0.00 0.00 178.44 179.35 2bs2 h ILE 221 N 0.49 1.28 0.00 1.22 1.08 -0.63 0.14 117.51 121.09 2bs2 h ILE 221 Ca 0.08 -0.83 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2bs2 h ILE 221 Cb 0.56 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2bs2 h ILE 221 CO 0.04 0.22 -0.00 0.58 -0.69 0.00 0.00 178.15 178.29 2bs2 h VAL 222 N -0.30 1.03 -0.56 1.67 2.07 -1.26 0.15 116.25 119.05 2bs2 h VAL 222 Ca 0.01 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2bs2 h VAL 222 Cb 0.36 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2bs2 h VAL 222 CO 0.00 0.03 0.37 0.25 0.02 0.00 0.00 177.57 178.24 2bs2 h LEU 223 N -0.05 0.51 -0.57 2.57 5.85 -1.11 0.11 115.31 122.62 2bs2 h LEU 223 Ca -0.00 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2bs2 h LEU 223 Cb 0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2bs2 h LEU 223 CO 0.00 0.35 -0.40 1.23 -0.34 0.00 0.00 178.44 179.28 2bs2 h GLY 224 N 0.59 0.77 1.29 3.75 0.00 0.16 -0.93 103.07 108.71 2bs2 h GLY 224 Ca 0.23 -0.77 -0.18 0.00 0.00 0.00 0.00 47.33 46.61 2bs2 h GLY 224 CO -0.06 0.70 -0.55 1.41 0.00 0.00 0.00 176.54 178.04 2bs2 h LEU 225 N 0.58 0.82 0.12 3.11 3.38 0.60 0.22 115.31 124.14 2bs2 h LEU 225 Ca 0.05 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2bs2 h LEU 225 Cb 0.93 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2bs2 h LEU 225 CO 0.08 1.20 -0.06 -0.07 0.09 0.00 0.00 178.44 179.69 2bs2 h LEU 226 N 0.57 -0.13 -1.19 1.67 3.38 -0.72 0.42 115.31 119.30 2bs2 h LEU 226 Ca 0.01 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2bs2 h LEU 226 Cb 1.13 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2bs2 h LEU 226 CO 0.11 0.02 0.53 0.74 0.09 0.00 0.00 178.44 179.94 2bs2 h THR 227 N -0.28 1.21 0.07 0.22 2.02 -1.15 -1.70 112.91 113.31 2bs2 h THR 227 Ca -0.02 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2bs2 h THR 227 Cb 0.23 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2bs2 h THR 227 CO 0.03 0.20 -0.03 0.15 0.37 0.00 0.00 175.52 176.24 2bs2 h PHE 228 N 1.10 -0.09 -0.93 3.16 3.57 -0.58 -2.47 116.94 120.71 2bs2 h PHE 228 Ca 0.30 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.82 2bs2 h PHE 228 Cb -0.12 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2bs2 h PHE 228 CO 0.00 -0.04 0.62 0.78 -2.23 0.00 0.00 178.31 177.44 2bs2 h GLY 229 N -0.11 1.33 0.88 2.40 0.00 -0.42 -1.88 103.07 105.28 2bs2 h GLY 229 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2bs2 h GLY 229 CO 0.02 0.44 0.05 0.00 0.00 0.00 0.00 176.54 177.05 2bs2 h ALA 230 N 1.44 0.17 -0.73 3.60 0.00 -1.05 0.11 119.26 122.80 2bs2 h ALA 230 Ca 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2bs2 h ALA 230 Cb -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2bs2 h ALA 230 CO -0.09 -0.39 0.35 1.88 0.00 0.00 0.00 179.25 181.00 2bs2 h TYR 231 N 0.13 1.05 0.24 0.00 0.05 -1.12 -2.41 116.97 114.91 2bs2 h TYR 231 Ca 0.06 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2bs2 h TYR 231 Cb 0.04 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.45 2bs2 h TYR 231 CO -0.11 0.78 -0.11 0.28 -1.05 0.00 0.00 178.16 177.94 2bs2 h VAL 232 N 1.02 0.82 -0.34 -2.88 2.07 -1.01 -0.93 116.25 115.00 2bs2 h VAL 232 Ca 0.25 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2bs2 h VAL 232 Cb 0.12 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 2bs2 h VAL 232 CO -0.03 0.10 -0.32 0.50 0.02 0.00 0.00 177.57 177.84 2bs2 h LYS 233 N -0.55 -0.27 -0.67 1.57 3.64 -0.72 0.19 116.57 119.76 2bs2 h LYS 233 Ca -0.03 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2bs2 h LYS 233 Cb 0.40 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2bs2 h LYS 233 CO 0.05 -0.18 0.44 0.87 -2.27 0.00 0.00 179.45 178.37 2bs2 h LYS 234 N -0.28 0.89 0.00 1.90 1.57 -1.44 -1.94 116.57 117.27 2bs2 h LYS 234 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2bs2 h LYS 234 Cb 0.53 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2bs2 h LYS 234 CO -0.49 0.59 -0.12 0.78 -0.57 0.00 0.00 179.45 179.63 2bs2 h GLY 235 N 0.91 0.00 1.12 3.86 0.00 0.09 -1.12 103.07 107.93 2bs2 h GLY 235 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2bs2 h GLY 235 CO -0.05 0.00 -0.04 1.04 0.00 0.00 0.00 176.54 177.48 2bs2 n LEU 236 N -4.16 0.24 -0.07 3.11 4.77 0.56 -3.16 117.00 118.30 2bs2 n LEU 236 Ca -0.02 0.09 0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2bs2 n LEU 236 Cb 0.20 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2bs2 n LEU 236 CO 0.34 0.04 0.00 -0.62 -1.33 0.00 0.00 177.39 175.82 2bs2 n GLU 237 N -1.04 0.77 -2.66 3.23 1.02 -0.43 -4.77 120.64 116.76 2bs2 n GLU 237 Ca 0.16 -0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2bs2 n GLU 237 Cb 0.23 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 2bs2 n GLU 237 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2bs2 s GLN 238 N -2.73 3.62 -0.01 3.49 -0.21 -1.17 -4.69 119.66 117.96 2bs2 s GLN 238 Ca 0.09 -1.33 0.07 0.00 0.02 0.00 0.00 55.36 54.21 2bs2 s GLN 238 Cb 0.15 -5.26 -0.10 0.00 1.00 0.00 0.00 33.01 28.80 2bs2 s GLN 238 CO 0.75 -2.10 0.23 0.25 -2.12 0.00 0.00 175.29 172.30 2bs2 n THR 239 N 6.50 0.00 -1.95 -0.19 -2.24 -1.26 -4.99 114.28 110.14 2bs2 n THR 239 Ca 0.32 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 2bs2 n THR 239 Cb 0.50 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 2bs2 n THR 239 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bs2 s ASP 240 N -2.31 6.44 0.00 3.42 -1.08 -1.26 -4.87 116.67 117.01 2bs2 s ASP 240 Ca -0.00 2.08 0.21 0.00 -0.52 0.00 0.00 52.55 54.32 2bs2 s ASP 240 Cb 0.05 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 40.08 2bs2 s ASP 240 CO 0.31 -1.14 1.67 -0.81 0.52 0.00 0.00 175.17 175.71 2bs2 n PRO 241 N 7.50 0.36 -0.19 4.34 -0.04 -1.26 -2.92 135.00 142.79 2bs2 n PRO 241 Ca 0.19 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 2bs2 n PRO 241 Cb 0.43 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.58 2bs2 n PRO 241 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bs2 n ASN 242 N -1.24 3.13 -4.54 3.54 3.02 -1.26 -4.95 115.26 112.96 2bs2 n ASN 242 Ca 0.11 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.41 2bs2 n ASN 242 Cb 0.15 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 38.96 2bs2 n ASN 242 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bs2 s ILE 243 N -1.13 3.97 -1.09 2.41 -1.09 -1.15 -5.04 121.20 118.08 2bs2 s ILE 243 Ca 0.31 -0.34 -0.13 0.00 -2.23 0.00 0.00 60.65 58.25 2bs2 s ILE 243 Cb 0.17 -2.72 0.20 0.00 -1.58 0.00 0.00 42.46 38.53 2bs2 s ILE 243 CO 0.23 0.52 1.22 -0.62 -1.23 0.00 0.00 174.94 175.07 2bs2 s ASP 244 N 0.06 7.03 0.19 3.58 2.15 -1.26 -4.85 116.67 123.57 2bs2 s ASP 244 Ca 0.00 -2.96 -0.08 0.00 0.43 0.00 0.00 52.55 49.95 2bs2 s ASP 244 Cb -0.13 -2.33 0.11 0.00 -0.30 0.00 0.00 42.92 40.27 2bs2 s ASP 244 CO 0.03 -0.66 1.67 1.88 -0.17 0.00 0.00 175.17 177.92 2bs2 h TYR 245 N 7.39 1.16 -0.71 -5.34 -1.99 -1.95 -2.46 116.97 113.07 2bs2 h TYR 245 Ca 0.23 -0.18 0.14 0.00 2.00 0.00 0.00 58.73 60.92 2bs2 h TYR 245 Cb 0.92 -0.31 -0.13 0.00 2.00 0.00 0.00 36.73 39.20 2bs2 h TYR 245 CO 1.02 0.99 -0.20 -0.22 -0.00 0.00 0.00 178.16 179.75 2bs2 h LYS 246 N 0.99 -0.02 -0.38 4.88 1.63 -1.88 -1.24 116.57 120.56 2bs2 h LYS 246 Ca 0.19 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 2bs2 h LYS 246 Cb 0.50 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2bs2 h LYS 246 CO 0.02 -0.01 0.03 0.66 -3.45 0.00 0.00 179.45 176.69 2bs2 n TYR 247 N -5.47 1.32 0.40 1.91 4.02 -1.22 -4.60 117.16 113.51 2bs2 n TYR 247 Ca 0.09 -0.97 -0.18 0.00 -0.01 0.00 0.00 57.90 56.83 2bs2 n TYR 247 Cb 0.37 -0.41 -0.09 0.00 -0.02 0.00 0.00 39.34 39.19 2bs2 n TYR 247 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2bs2 h PHE 248 N 2.17 -0.92 -0.46 -0.72 3.57 -0.72 -0.43 116.94 119.44 2bs2 h PHE 248 Ca 0.05 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.63 2bs2 h PHE 248 Cb 1.66 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 2bs2 h PHE 248 CO 0.74 -0.57 0.32 -0.44 -2.23 0.00 0.00 178.31 176.12 2bs2 h ASP 249 N -1.01 0.15 -0.06 0.41 3.32 -1.84 -0.41 116.42 116.98 2bs2 h ASP 249 Ca -0.10 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 2bs2 h ASP 249 Cb 0.77 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2bs2 h ASP 249 CO 0.17 0.09 -0.69 0.22 -1.72 0.00 0.00 179.24 177.31 2bs2 h TYR 250 N 0.17 0.91 0.00 4.55 3.20 -1.66 -3.32 116.97 120.83 2bs2 h TYR 250 Ca 0.21 -0.38 -0.65 0.00 3.14 0.00 0.00 58.73 61.05 2bs2 h TYR 250 Cb 0.62 -0.15 0.02 0.00 1.54 0.00 0.00 36.73 38.75 2bs2 h TYR 250 CO -0.00 1.18 3.63 1.63 -1.64 0.00 0.00 178.16 182.96 2bs2 n LYS 251 N -3.93 3.41 0.00 1.82 5.02 -0.16 -2.36 118.16 121.96 2bs2 n LYS 251 Ca -0.06 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 2bs2 n LYS 251 Cb 0.70 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 2bs2 n LYS 251 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bs2 n ARG 252 N 4.08 0.00 -2.73 1.97 1.74 -1.25 -4.95 116.66 115.52 2bs2 n ARG 252 Ca 0.72 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.77 2bs2 n ARG 252 Cb 0.25 -0.40 0.09 0.00 -1.02 0.00 0.00 32.46 31.39 2bs2 n ARG 252 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2bs2 n THR 253 N -1.08 0.51 -4.03 0.55 -1.04 -1.22 -4.99 114.28 102.99 2bs2 n THR 253 Ca 0.00 -1.89 -0.27 0.00 -2.04 0.00 0.00 64.05 59.85 2bs2 n THR 253 Cb 0.00 1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 69.55 2bs2 n THR 253 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2bs2 n HIS 254 N -0.98 -1.61 0.00 -1.42 8.25 -1.21 -4.07 115.22 114.18 2bs2 n HIS 254 Ca -0.05 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 2bs2 n HIS 254 Cb 0.84 -3.54 0.00 0.00 1.12 0.00 0.00 29.99 28.41 2bs2 n HIS 254 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07