#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcx s THR 5 N 0.00 2.09 0.26 -5.08 -4.23 -1.26 -4.86 115.64 102.56 2bcx s THR 5 Ca 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2bcx s THR 5 Cb 0.00 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.17 2bcx s THR 5 CO 0.00 -0.04 1.68 -0.33 -0.54 0.00 0.00 174.62 175.39 2bcx h GLU 6 N -1.57 0.51 -0.43 3.99 4.39 -2.05 -1.80 114.58 117.62 2bcx h GLU 6 Ca -0.51 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 58.89 2bcx h GLU 6 Cb 1.33 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 2bcx h GLU 6 CO 0.61 0.75 -0.08 0.93 -1.16 0.00 0.00 179.01 180.06 2bcx h GLU 7 N 0.44 0.74 -0.47 2.33 5.08 -1.99 -0.50 114.58 120.22 2bcx h GLU 7 Ca 0.06 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 2bcx h GLU 7 Cb 0.74 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2bcx h GLU 7 CO 0.06 0.81 -0.15 1.96 -1.00 0.00 0.00 179.01 180.69 2bcx h GLN 8 N 0.68 0.92 -0.70 2.33 4.20 -1.85 -1.89 115.11 118.80 2bcx h GLN 8 Ca 0.12 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2bcx h GLN 8 Cb 0.54 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2bcx h GLN 8 CO 0.03 1.03 0.35 0.82 -0.67 0.00 0.00 178.83 180.38 2bcx h ILE 9 N 0.76 1.23 -0.74 2.54 1.08 -1.02 -1.92 117.51 119.44 2bcx h ILE 9 Ca 0.11 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 2bcx h ILE 9 Cb 0.71 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2bcx h ILE 9 CO 0.05 0.27 0.32 0.00 -0.69 0.00 0.00 178.15 178.10 2bcx h ALA 10 N 1.17 1.17 -0.39 1.87 0.00 -0.84 -1.53 119.26 120.70 2bcx h ALA 10 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2bcx h ALA 10 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2bcx h ALA 10 CO -0.03 0.61 0.13 0.93 0.00 0.00 0.00 179.25 180.89 2bcx h GLU 11 N 1.06 0.61 0.00 0.00 5.08 -0.85 -2.21 114.58 118.27 2bcx h GLU 11 Ca 0.25 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2bcx h GLU 11 Cb 0.16 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2bcx h GLU 11 CO -0.03 0.61 -0.14 0.74 -1.00 0.00 0.00 179.01 179.19 2bcx h PHE 12 N 0.49 0.00 -0.49 4.33 0.04 -1.06 -1.17 116.94 119.08 2bcx h PHE 12 Ca 0.13 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.77 2bcx h PHE 12 Cb 0.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2bcx h PHE 12 CO 0.01 0.14 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.45 2bcx h LYS 13 N 0.00 0.98 -0.38 1.51 1.63 -0.71 -0.64 116.57 118.96 2bcx h LYS 13 Ca -0.00 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.41 2bcx h LYS 13 Cb 0.42 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2bcx h LYS 13 CO 0.02 1.08 0.23 1.49 -3.45 0.00 0.00 179.45 178.81 2bcx h GLU 14 N 0.85 0.45 -0.17 1.90 4.57 -0.69 -0.35 114.58 121.15 2bcx h GLU 14 Ca 0.12 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2bcx h GLU 14 Cb 0.76 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2bcx h GLU 14 CO 0.06 0.30 0.10 0.00 -1.18 0.00 0.00 179.01 178.29 2bcx h ALA 15 N 1.16 0.21 -0.78 2.92 0.00 -1.16 -2.55 119.26 119.06 2bcx h ALA 15 Ca 0.15 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2bcx h ALA 15 Cb -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2bcx h ALA 15 CO -0.06 -0.27 0.43 0.35 0.00 0.00 0.00 179.25 179.70 2bcx h PHE 16 N 0.18 0.77 0.00 0.00 3.04 -0.81 -0.17 116.94 119.94 2bcx h PHE 16 Ca 0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.04 2bcx h PHE 16 Cb 0.04 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.33 2bcx h PHE 16 CO -0.05 0.30 0.00 -1.13 -2.02 0.00 0.00 178.31 175.41 2bcx n SER 17 N -4.79 0.57 -0.01 0.41 3.41 -0.17 -1.42 113.62 111.62 2bcx n SER 17 Ca 0.13 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 2bcx n SER 17 Cb 0.28 -0.77 0.61 0.00 -0.26 0.00 0.00 64.21 64.07 2bcx n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bcx n LEU 18 N -2.15 0.07 -0.05 1.04 4.77 -0.08 -3.82 117.00 116.79 2bcx n LEU 18 Ca 0.02 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 2bcx n LEU 18 Cb 0.18 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2bcx n LEU 18 CO 0.17 0.02 -0.83 0.49 -1.33 0.00 0.00 177.39 175.91 2bcx n PHE 19 N -1.43 0.00 -2.23 -1.77 3.72 -0.51 -4.88 117.46 110.36 2bcx n PHE 19 Ca 0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 2bcx n PHE 19 Cb 0.32 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.37 2bcx n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2bcx s ASP 20 N -4.52 5.63 0.32 4.37 2.15 -0.71 -4.76 116.67 119.15 2bcx s ASP 20 Ca -0.09 -1.59 0.04 0.00 0.43 0.00 0.00 52.55 51.34 2bcx s ASP 20 Cb 0.03 -2.58 0.64 0.00 -0.30 0.00 0.00 42.92 40.72 2bcx s ASP 20 CO 0.32 -2.40 1.88 0.50 -0.17 0.00 0.00 175.17 175.30 2bcx h LYS 21 N 9.61 0.87 -0.03 4.34 3.64 -1.88 -2.13 116.57 130.99 2bcx h LYS 21 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2bcx h LYS 21 Cb 0.95 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2bcx h LYS 21 CO 1.30 0.58 -0.07 -0.40 -2.27 0.00 0.00 179.45 178.58 2bcx n ASP 22 N -4.55 2.69 -1.76 4.20 5.68 -1.26 -4.96 116.55 116.59 2bcx n ASP 22 Ca 0.16 -1.87 -0.18 0.00 -0.50 0.00 0.00 54.79 52.41 2bcx n ASP 22 Cb 0.33 0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 2bcx n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bcx n GLY 23 N 1.34 0.45 0.56 6.12 0.00 -0.80 -4.89 105.19 107.96 2bcx n GLY 23 Ca 0.14 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2bcx n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bcx n ASP 24 N -1.17 1.65 0.00 1.61 5.75 -1.26 -4.91 116.55 118.21 2bcx n ASP 24 Ca -0.20 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2bcx n ASP 24 Cb 0.63 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2bcx n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bcx n GLY 25 N 1.08 0.78 3.15 6.12 0.00 -1.26 -5.04 105.19 110.01 2bcx n GLY 25 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 2bcx n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bcx s THR 26 N -2.90 0.86 -0.22 2.61 -4.23 -1.26 -3.87 115.64 106.63 2bcx s THR 26 Ca 0.00 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2bcx s THR 26 Cb 0.00 -1.17 -0.00 0.00 1.34 0.00 0.00 72.50 72.67 2bcx s THR 26 CO 0.00 -0.49 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.90 2bcx s ILE 27 N -2.10 3.20 0.51 2.99 1.01 0.40 -4.74 121.20 122.47 2bcx s ILE 27 Ca 0.01 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2bcx s ILE 27 Cb -0.05 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 40.00 2bcx s ILE 27 CO 0.00 0.43 0.71 0.42 0.00 0.00 0.00 174.94 176.51 2bcx s THR 28 N 1.45 2.73 0.28 2.92 -4.23 -1.26 -1.47 115.64 116.06 2bcx s THR 28 Ca 0.06 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 2bcx s THR 28 Cb -0.14 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 71.02 2bcx s THR 28 CO -0.05 0.00 1.95 0.71 -0.54 0.00 0.00 174.62 176.69 2bcx h THR 29 N 0.25 1.22 -0.49 3.99 1.35 -1.90 -0.51 112.91 116.82 2bcx h THR 29 Ca -0.40 -0.42 -0.07 0.00 -0.55 0.00 0.00 66.41 64.97 2bcx h THR 29 Cb 1.29 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 2bcx h THR 29 CO 0.48 0.22 0.03 0.50 -0.25 0.00 0.00 175.52 176.51 2bcx h LYS 30 N 1.22 0.84 -0.46 4.72 3.64 -1.97 -0.95 116.57 123.62 2bcx h LYS 30 Ca 0.34 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2bcx h LYS 30 Cb -0.12 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2bcx h LYS 30 CO -0.08 0.87 -0.03 0.93 -2.27 0.00 0.00 179.45 178.87 2bcx h GLU 31 N 0.71 0.83 -0.68 1.90 5.08 -1.76 -1.14 114.58 119.51 2bcx h GLU 31 Ca 0.14 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2bcx h GLU 31 Cb 0.46 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2bcx h GLU 31 CO 0.02 0.90 0.43 1.25 -1.00 0.00 0.00 179.01 180.61 2bcx h LEU 32 N 0.67 0.72 -1.09 1.33 5.85 -0.97 -2.46 115.31 119.36 2bcx h LEU 32 Ca 0.13 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2bcx h LEU 32 Cb 0.54 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2bcx h LEU 32 CO 0.03 0.50 0.06 1.23 -0.34 0.00 0.00 178.44 179.92 2bcx h GLY 33 N 0.86 0.76 0.94 3.75 0.00 -0.79 -1.35 103.07 107.23 2bcx h GLY 33 Ca 0.27 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2bcx h GLY 33 CO -0.09 0.42 0.13 -0.84 0.00 0.00 0.00 176.54 176.16 2bcx h THR 34 N 0.68 1.21 -0.54 4.70 2.02 -0.77 0.23 112.91 120.44 2bcx h THR 34 Ca 0.15 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 2bcx h THR 34 Cb 0.33 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2bcx h THR 34 CO 0.01 0.25 0.12 0.58 0.37 0.00 0.00 175.52 176.85 2bcx h VAL 35 N 0.52 1.25 -0.65 3.16 2.07 -1.21 -1.21 116.25 120.18 2bcx h VAL 35 Ca 0.13 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 2bcx h VAL 35 Cb 0.25 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2bcx h VAL 35 CO -0.00 0.33 0.17 0.24 0.02 0.00 0.00 177.57 178.32 2bcx h MET 36 N 0.77 1.02 -0.70 1.57 2.86 -0.96 -2.29 114.93 117.19 2bcx h MET 36 Ca 0.17 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2bcx h MET 36 Cb 0.36 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2bcx h MET 36 CO 0.00 0.89 0.19 0.00 1.06 0.00 0.00 176.91 179.05 2bcx h ARG 37 N 0.97 1.10 0.00 1.72 3.08 -0.11 0.80 114.38 121.95 2bcx h ARG 37 Ca 0.21 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2bcx h ARG 37 Cb 0.33 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2bcx h ARG 37 CO -0.00 0.97 -0.07 0.66 -1.07 0.00 0.00 179.97 180.46 2bcx h SER 38 N 1.04 0.00 -0.24 7.04 4.64 -0.79 -1.81 113.55 123.43 2bcx h SER 38 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2bcx h SER 38 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2bcx h SER 38 CO -0.00 0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 2bcx n LEU 39 N -3.57 2.47 0.00 5.97 4.77 -0.81 -4.92 117.00 120.92 2bcx n LEU 39 Ca -0.02 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2bcx n LEU 39 Cb 0.18 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bcx n LEU 39 CO 0.28 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2bcx n GLY 40 N 1.30 0.92 3.59 -0.72 0.00 -0.68 -5.03 105.19 104.57 2bcx n GLY 40 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2bcx n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bcx s GLN 41 N -0.86 2.91 -0.59 1.61 -0.21 0.21 -5.00 119.66 117.74 2bcx s GLN 41 Ca 0.00 -0.52 0.06 0.00 0.02 0.00 0.00 55.36 54.92 2bcx s GLN 41 Cb 0.00 -2.67 0.26 0.00 1.00 0.00 0.00 33.01 31.60 2bcx s GLN 41 CO 0.00 0.61 0.73 0.09 -2.12 0.00 0.00 175.29 174.61 2bcx n ASN 42 N 2.39 3.27 -4.72 5.90 3.02 -1.26 -2.28 115.26 121.58 2bcx n ASN 42 Ca -0.18 -3.35 -0.35 0.00 -0.03 0.00 0.00 54.58 50.67 2bcx n ASN 42 Cb 0.53 -0.65 0.09 0.00 -0.61 0.00 0.00 39.78 39.14 2bcx n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2bcx s PRO 43 N -2.39 2.15 0.71 3.52 0.04 -1.26 -5.01 135.00 132.76 2bcx s PRO 43 Ca 0.40 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 2bcx s PRO 43 Cb 0.17 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.93 2bcx s PRO 43 CO -0.04 -1.86 1.07 0.95 0.04 0.00 0.00 177.00 177.16 2bcx s THR 44 N -1.81 2.95 0.23 1.26 -4.23 -1.26 -4.87 115.64 107.92 2bcx s THR 44 Ca 0.77 0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 2bcx s THR 44 Cb -0.32 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.46 2bcx s THR 44 CO 0.45 -0.34 1.91 -0.33 -0.54 0.00 0.00 174.62 175.77 2bcx h GLU 45 N -0.66 1.19 -0.26 3.99 4.39 -1.99 -0.72 114.58 120.51 2bcx h GLU 45 Ca -0.45 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.07 2bcx h GLU 45 Cb 1.28 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2bcx h GLU 45 CO 0.63 0.79 -0.29 0.00 -1.16 0.00 0.00 179.01 178.97 2bcx h ALA 46 N 1.33 1.00 -0.35 3.43 0.00 -1.98 -0.09 119.26 122.61 2bcx h ALA 46 Ca 0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2bcx h ALA 46 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2bcx h ALA 46 CO -0.07 0.60 0.13 1.49 0.00 0.00 0.00 179.25 181.39 2bcx h GLU 47 N 0.47 0.52 -0.53 0.00 4.81 -1.78 0.09 114.58 118.16 2bcx h GLU 47 Ca 0.06 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2bcx h GLU 47 Cb 0.75 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2bcx h GLU 47 CO 0.06 0.53 0.09 -0.07 -0.73 0.00 0.00 179.01 178.89 2bcx h LEU 48 N 0.41 0.78 -0.77 1.64 3.38 -0.90 -1.89 115.31 117.96 2bcx h LEU 48 Ca 0.11 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2bcx h LEU 48 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bcx h LEU 48 CO -0.01 0.80 0.15 -0.61 0.09 0.00 0.00 178.44 178.85 2bcx h GLN 49 N 0.79 1.08 -0.27 1.13 5.75 -0.44 -2.01 115.11 121.14 2bcx h GLN 49 Ca 0.17 -0.26 -0.15 0.00 -0.15 0.00 0.00 58.65 58.25 2bcx h GLN 49 Cb 0.35 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2bcx h GLN 49 CO 0.01 0.96 -0.45 -0.44 -2.65 0.00 0.00 178.83 176.26 2bcx h ASP 50 N 1.02 0.74 -0.56 -0.69 3.32 -0.63 0.07 116.42 119.70 2bcx h ASP 50 Ca 0.21 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 2bcx h ASP 50 Cb 0.38 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2bcx h ASP 50 CO 0.00 1.08 0.26 0.24 -1.72 0.00 0.00 179.24 179.11 2bcx h MET 51 N 0.55 0.81 -0.16 3.56 2.86 -1.18 -1.52 114.93 119.86 2bcx h MET 51 Ca 0.04 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2bcx h MET 51 Cb 1.00 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 2bcx h MET 51 CO 0.09 0.67 -0.08 0.82 1.06 0.00 0.00 176.91 179.47 2bcx h ILE 52 N 0.75 1.31 -0.77 -1.22 1.08 -1.30 -3.26 117.51 114.10 2bcx h ILE 52 Ca 0.19 -1.13 0.10 0.00 -0.39 0.00 0.00 64.86 63.63 2bcx h ILE 52 Cb 0.13 1.73 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 2bcx h ILE 52 CO -0.02 0.33 0.41 0.78 -0.69 0.00 0.00 178.15 178.96 2bcx h ASN 53 N 0.00 0.55 0.05 1.72 4.21 -0.74 0.27 115.58 121.64 2bcx h ASN 53 Ca 0.03 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 2bcx h ASN 53 Cb 0.56 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.72 2bcx h ASN 53 CO 0.02 0.30 -0.00 -0.33 -1.29 0.00 0.00 177.43 176.14 2bcx h GLU 54 N 0.68 0.00 0.00 0.81 4.39 -1.32 -2.49 114.58 116.65 2bcx h GLU 54 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2bcx h GLU 54 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2bcx h GLU 54 CO -0.27 0.00 -0.22 0.28 -1.16 0.00 0.00 179.01 177.64 2bcx n VAL 55 N -3.08 0.00 -1.95 3.13 0.31 -0.45 -4.85 118.33 111.43 2bcx n VAL 55 Ca -0.03 -0.40 -0.40 0.00 -0.01 0.00 0.00 64.34 63.51 2bcx n VAL 55 Cb 0.08 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 33.97 2bcx n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2bcx n ASP 56 N -1.11 3.75 -0.17 4.52 2.03 0.81 -4.82 116.55 121.56 2bcx n ASP 56 Ca 0.01 -2.80 -0.02 0.00 0.52 0.00 0.00 54.79 52.49 2bcx n ASP 56 Cb 0.07 -1.59 0.04 0.00 -0.72 0.00 0.00 41.12 38.92 2bcx n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bcx h ALA 57 N 7.69 0.37 0.00 -1.67 0.00 -1.89 -1.21 119.26 122.55 2bcx h ALA 57 Ca 0.43 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2bcx h ALA 57 Cb 0.78 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2bcx h ALA 57 CO 1.63 -0.43 -0.10 -0.40 0.00 0.00 0.00 179.25 179.94 2bcx n ASP 58 N -5.35 0.22 -0.83 0.00 5.68 -1.26 -4.94 116.55 110.07 2bcx n ASP 58 Ca 0.05 0.38 -0.09 0.00 -0.50 0.00 0.00 54.79 54.63 2bcx n ASP 58 Cb 0.28 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 39.83 2bcx n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bcx n GLY 59 N 1.47 0.62 0.06 6.12 0.00 -0.46 -4.92 105.19 108.09 2bcx n GLY 59 Ca 0.06 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.64 2bcx n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bcx n ASN 60 N 0.45 0.20 0.00 1.61 6.94 -1.26 -4.91 115.26 118.28 2bcx n ASN 60 Ca -0.10 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 2bcx n ASN 60 Cb 0.41 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2bcx n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bcx n GLY 61 N 0.98 0.93 3.33 4.83 0.00 -1.26 -5.04 105.19 108.94 2bcx n GLY 61 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 2bcx n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bcx s THR 62 N -2.24 1.15 -0.26 2.61 -4.23 -1.26 -4.69 115.64 106.72 2bcx s THR 62 Ca 0.00 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 2bcx s THR 62 Cb 0.00 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 2bcx s THR 62 CO 0.00 -0.41 0.09 -0.63 -0.54 0.00 0.00 174.62 173.13 2bcx s ILE 63 N -3.34 4.49 0.65 2.99 1.01 -0.54 -4.84 121.20 121.61 2bcx s ILE 63 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 2bcx s ILE 63 Cb 0.05 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.49 2bcx s ILE 63 CO 0.07 0.32 0.91 1.51 0.00 0.00 0.00 174.94 177.75 2bcx s ASP 64 N 1.64 4.75 0.20 3.58 1.47 -1.26 -0.45 116.67 126.59 2bcx s ASP 64 Ca 0.06 -0.15 -0.11 0.00 1.18 0.00 0.00 52.55 53.54 2bcx s ASP 64 Cb -0.15 -0.45 0.14 0.00 -0.34 0.00 0.00 42.92 42.12 2bcx s ASP 64 CO 0.05 -1.56 1.85 0.15 0.68 0.00 0.00 175.17 176.34 2bcx h PHE 65 N -0.30 0.95 -0.85 2.11 3.57 -1.99 -1.53 116.94 118.90 2bcx h PHE 65 Ca -0.39 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.18 2bcx h PHE 65 Cb 1.28 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 2bcx h PHE 65 CO 0.07 0.63 0.52 -1.35 -2.23 0.00 0.00 178.31 175.95 2bcx h PRO 66 N 0.99 0.90 -0.32 6.41 0.11 -1.95 0.49 132.00 138.63 2bcx h PRO 66 Ca 0.26 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 2bcx h PRO 66 Cb -0.05 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 2bcx h PRO 66 CO -0.05 0.59 -0.28 0.93 -0.21 0.00 0.00 178.00 178.98 2bcx h GLU 67 N 0.92 0.66 -0.59 1.05 5.08 -1.81 -1.17 114.58 118.72 2bcx h GLU 67 Ca 0.38 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2bcx h GLU 67 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2bcx h GLU 67 CO -0.19 0.87 0.11 0.35 -1.00 0.00 0.00 179.01 179.15 2bcx h PHE 68 N 0.57 1.03 -0.28 4.33 3.57 -0.05 -2.40 116.94 123.69 2bcx h PHE 68 Ca 0.07 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2bcx h PHE 68 Cb 0.77 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2bcx h PHE 68 CO 0.03 0.89 0.10 1.25 -2.23 0.00 0.00 178.31 178.35 2bcx h LEU 69 N 0.87 0.41 -0.72 0.59 5.85 0.04 0.15 115.31 122.50 2bcx h LEU 69 Ca 0.18 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.82 2bcx h LEU 69 Cb 0.40 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2bcx h LEU 69 CO 0.01 0.48 0.34 0.74 -0.34 0.00 0.00 178.44 179.67 2bcx h THR 70 N 0.30 0.80 0.25 1.05 2.02 -1.00 1.11 112.91 117.45 2bcx h THR 70 Ca 0.09 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2bcx h THR 70 Cb 0.22 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2bcx h THR 70 CO -0.01 0.10 -0.12 -0.03 0.37 0.00 0.00 175.52 175.84 2bcx h MET 71 N 0.56 -0.32 -0.82 6.66 1.85 -1.11 -0.33 114.93 121.42 2bcx h MET 71 Ca 0.36 0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.45 2bcx h MET 71 Cb 0.43 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.50 2bcx h MET 71 CO -0.30 -0.11 0.39 0.52 -0.40 0.00 0.00 176.91 177.01 2bcx h MET 72 N -0.49 1.18 -0.65 0.39 2.07 -0.24 -2.16 114.93 115.03 2bcx h MET 72 Ca -0.03 -0.18 -0.08 0.00 -2.07 0.00 0.00 59.70 57.34 2bcx h MET 72 Cb 0.37 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 2bcx h MET 72 CO 0.06 0.92 0.10 0.00 1.07 0.00 0.00 176.91 179.05 2bcx h ALA 73 N 1.21 0.95 -1.00 6.32 0.00 0.13 -1.50 119.26 125.37 2bcx h ALA 73 Ca 0.28 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bcx h ALA 73 Cb 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2bcx h ALA 73 CO -0.03 0.65 0.66 -0.09 0.00 0.00 0.00 179.25 180.44 2bcx h ARG 74 N 1.00 1.32 0.11 0.00 9.65 -0.70 0.64 114.38 126.40 2bcx h ARG 74 Ca 0.20 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2bcx h ARG 74 Cb 0.43 -0.30 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2bcx h ARG 74 CO 0.01 0.87 -0.05 -0.22 2.80 0.00 0.00 179.97 183.38 2bcx h LYS 75 N 1.36 -0.15 -0.21 0.20 3.64 -0.83 -3.23 116.57 117.35 2bcx h LYS 75 Ca 0.37 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2bcx h LYS 75 Cb -0.16 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2bcx h LYS 75 CO -0.08 0.13 0.05 0.52 -2.27 0.00 0.00 179.45 177.81 2bcx h MET 76 N -0.43 0.14 -3.98 1.90 2.86 -1.02 -3.20 114.93 111.20 2bcx h MET 76 Ca -0.02 -0.01 -0.50 0.00 -2.06 0.00 0.00 59.70 57.12 2bcx h MET 76 Cb 0.35 -0.03 0.03 0.00 0.06 0.00 0.00 31.60 32.01 2bcx h MET 76 CO 0.03 0.09 2.38 1.63 1.06 0.00 0.00 176.91 182.09 2bcx n LYS 77 N -5.07 1.68 -3.64 1.72 5.02 0.19 -4.62 118.16 113.45 2bcx n LYS 77 Ca -0.02 -1.59 -0.08 0.00 -2.02 0.00 0.00 58.31 54.59 2bcx n LYS 77 Cb 0.09 -2.65 -0.07 0.00 -0.02 0.00 0.00 35.03 32.37 2bcx n LYS 77 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bcx s ASP 78 N 4.29 -0.92 0.32 4.39 -1.08 -1.21 -4.92 116.67 117.54 2bcx s ASP 78 Ca 0.47 1.51 0.05 0.00 -0.52 0.00 0.00 52.55 54.06 2bcx s ASP 78 Cb 0.12 1.40 0.86 0.00 -1.46 0.00 0.00 42.92 43.83 2bcx s ASP 78 CO 0.05 -0.24 1.58 0.74 0.52 0.00 0.00 175.17 177.81 2bcx h THR 79 N 4.87 0.03 -0.01 1.71 2.02 -1.89 -1.13 112.91 118.51 2bcx h THR 79 Ca -0.30 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2bcx h THR 79 Cb 1.22 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2bcx h THR 79 CO 0.15 0.00 -0.18 0.47 0.37 0.00 0.00 175.52 176.33 2bcx n ASP 80 N -5.44 0.77 -4.70 4.18 8.00 -1.26 -4.88 116.55 113.23 2bcx n ASP 80 Ca 0.26 -0.75 -0.41 0.00 0.71 0.00 0.00 54.79 54.60 2bcx n ASP 80 Cb 0.85 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.94 2bcx n ASP 80 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bcx s SER 81 N -2.48 7.12 0.50 -2.24 0.01 -0.43 -5.06 113.70 111.11 2bcx s SER 81 Ca 0.27 1.36 0.08 0.00 1.31 0.00 0.00 55.95 58.96 2bcx s SER 81 Cb 0.20 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.97 2bcx s SER 81 CO 0.50 -0.26 0.51 -1.61 0.41 0.00 0.00 173.24 172.79 2bcx s GLU 82 N 1.30 2.42 0.50 12.44 2.02 -1.26 -4.88 118.70 131.24 2bcx s GLU 82 Ca 0.43 -1.68 -0.22 0.00 0.02 0.00 0.00 54.97 53.52 2bcx s GLU 82 Cb -0.18 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.58 2bcx s GLU 82 CO 0.20 -0.50 1.20 -1.21 0.02 0.00 0.00 175.26 174.96 2bcx s GLU 83 N -4.33 3.49 0.25 1.61 2.02 -1.26 -4.76 118.70 115.72 2bcx s GLU 83 Ca 0.48 1.83 -0.06 0.00 0.02 0.00 0.00 54.97 57.24 2bcx s GLU 83 Cb -0.04 -2.26 0.46 0.00 0.10 0.00 0.00 34.13 32.39 2bcx s GLU 83 CO 0.29 -0.78 1.66 0.93 0.02 0.00 0.00 175.26 177.38 2bcx h GLU 84 N 1.67 0.18 -0.97 1.61 5.08 -1.98 0.43 114.58 120.59 2bcx h GLU 84 Ca -0.50 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2bcx h GLU 84 Cb 1.26 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2bcx h GLU 84 CO 0.59 0.12 0.64 0.82 -1.00 0.00 0.00 179.01 180.18 2bcx h ILE 85 N 0.18 1.22 -0.16 3.13 1.08 -1.99 0.12 117.51 121.10 2bcx h ILE 85 Ca 0.42 -0.44 -0.19 0.00 -0.39 0.00 0.00 64.86 64.25 2bcx h ILE 85 Cb 0.73 -0.18 0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2bcx h ILE 85 CO -0.58 0.23 -0.66 0.03 -0.69 0.00 0.00 178.15 176.48 2bcx h ARG 86 N 1.29 0.72 -0.91 2.37 3.08 -1.54 -1.33 114.38 118.05 2bcx h ARG 86 Ca 0.37 -0.57 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2bcx h ARG 86 Cb -0.10 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2bcx h ARG 86 CO -0.09 1.18 0.56 1.49 -1.07 0.00 0.00 179.97 182.04 2bcx h GLU 87 N 0.43 1.23 -0.38 0.04 4.81 -0.61 -1.79 114.58 118.31 2bcx h GLU 87 Ca -0.04 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 2bcx h GLU 87 Cb 1.29 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2bcx h GLU 87 CO 0.14 0.85 -0.14 0.00 -0.73 0.00 0.00 179.01 179.13 2bcx h ALA 88 N 1.37 0.53 -0.97 2.92 0.00 -0.65 -2.58 119.26 119.87 2bcx h ALA 88 Ca 0.33 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2bcx h ALA 88 Cb -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 2bcx h ALA 88 CO -0.06 0.43 0.63 0.35 0.00 0.00 0.00 179.25 180.60 2bcx h PHE 89 N 0.56 1.15 0.00 0.00 3.57 -0.84 -1.61 116.94 119.78 2bcx h PHE 89 Ca 0.09 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2bcx h PHE 89 Cb 0.67 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2bcx h PHE 89 CO 0.05 0.61 -0.22 0.00 -2.23 0.00 0.00 178.31 176.53 2bcx h ARG 90 N 1.14 0.00 -0.24 1.11 3.08 -1.01 0.98 114.38 119.43 2bcx h ARG 90 Ca 0.42 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.34 2bcx h ARG 90 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2bcx h ARG 90 CO -0.16 0.22 -0.39 0.28 -1.07 0.00 0.00 179.97 178.84 2bcx h VAL 91 N 0.00 1.30 0.05 2.04 2.07 -0.92 -3.22 116.25 117.56 2bcx h VAL 91 Ca -0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2bcx h VAL 91 Cb 0.51 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2bcx h VAL 91 CO 0.03 0.49 -0.02 -0.26 0.02 0.00 0.00 177.57 177.83 2bcx h PHE 92 N 0.46 -0.06 -0.26 1.57 0.04 -1.01 -3.38 116.94 114.30 2bcx h PHE 92 Ca 0.04 -0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.09 2bcx h PHE 92 Cb 0.89 0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.00 2bcx h PHE 92 CO 0.03 0.59 3.00 -3.47 -0.60 0.00 0.00 178.31 177.87 2bcx n ASP 93 N -4.77 4.62 0.07 2.17 2.03 0.25 -4.69 116.55 116.24 2bcx n ASP 93 Ca -0.08 -2.87 0.04 0.00 0.52 0.00 0.00 54.79 52.40 2bcx n ASP 93 Cb 0.33 -1.61 0.46 0.00 -0.72 0.00 0.00 41.12 39.57 2bcx n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2bcx h LYS 94 N 5.83 0.39 -0.07 -0.67 1.79 -1.74 -1.89 116.57 120.21 2bcx h LYS 94 Ca 0.57 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 2bcx h LYS 94 Cb 0.60 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2bcx h LYS 94 CO 1.83 0.29 0.00 -0.40 -1.08 0.00 0.00 179.45 180.09 2bcx n ASP 95 N -4.45 0.96 -2.08 0.86 5.68 -1.26 -4.93 116.55 111.32 2bcx n ASP 95 Ca 0.01 -1.50 -0.20 0.00 -0.50 0.00 0.00 54.79 52.60 2bcx n ASP 95 Cb 0.10 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 2bcx n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bcx n GLY 96 N 1.03 0.45 0.37 6.12 0.00 -0.71 -4.88 105.19 107.57 2bcx n GLY 96 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 2bcx n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bcx n ASN 97 N -1.73 1.12 0.00 1.61 6.94 -1.26 -4.90 115.26 117.03 2bcx n ASN 97 Ca -0.23 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 2bcx n ASN 97 Cb 0.68 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2bcx n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bcx n GLY 98 N 1.00 0.77 3.12 4.83 0.00 -1.26 -5.04 105.19 108.60 2bcx n GLY 98 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2bcx n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bcx s TYR 99 N -2.85 1.20 -0.29 1.61 1.51 -1.26 -3.69 117.35 113.58 2bcx s TYR 99 Ca 0.00 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.67 2bcx s TYR 99 Cb 0.00 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 2bcx s TYR 99 CO 0.00 0.00 0.18 0.42 -1.11 0.00 0.00 175.55 175.04 2bcx s ILE 100 N -0.55 5.07 0.62 2.71 1.01 0.57 -4.75 121.20 125.87 2bcx s ILE 100 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 2bcx s ILE 100 Cb -0.06 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.98 2bcx s ILE 100 CO 0.00 0.19 0.90 -0.94 0.00 0.00 0.00 174.94 175.10 2bcx s SER 101 N 1.71 5.18 0.17 3.58 1.04 -1.26 -1.93 113.70 122.19 2bcx s SER 101 Ca 0.06 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 2bcx s SER 101 Cb -0.16 -1.20 0.07 0.00 0.10 0.00 0.00 66.02 64.82 2bcx s SER 101 CO 0.09 -1.30 1.82 0.00 0.98 0.00 0.00 173.24 174.83 2bcx h ALA 102 N -0.26 0.70 -0.84 5.32 0.00 -1.95 0.13 119.26 122.36 2bcx h ALA 102 Ca -0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2bcx h ALA 102 Cb 1.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2bcx h ALA 102 CO 0.58 0.17 0.51 0.00 0.00 0.00 0.00 179.25 180.50 2bcx h ALA 103 N 1.18 1.32 -0.41 0.00 0.00 -1.99 0.16 119.26 119.52 2bcx h ALA 103 Ca 0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2bcx h ALA 103 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2bcx h ALA 103 CO -0.04 0.59 -0.28 0.93 0.00 0.00 0.00 179.25 180.45 2bcx h GLU 104 N 1.15 0.87 -0.30 0.00 5.08 -1.72 -1.94 114.58 117.71 2bcx h GLU 104 Ca 0.30 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2bcx h GLU 104 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2bcx h GLU 104 CO -0.06 1.03 -0.03 1.25 -1.00 0.00 0.00 179.01 180.21 2bcx h LEU 105 N 0.74 0.55 -1.41 1.33 5.85 0.00 -2.67 115.31 119.69 2bcx h LEU 105 Ca 0.09 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2bcx h LEU 105 Cb 0.83 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2bcx h LEU 105 CO 0.07 0.75 0.44 0.03 -0.34 0.00 0.00 178.44 179.39 2bcx h ARG 106 N 0.34 0.72 -0.31 1.25 3.08 -0.62 -1.77 114.38 117.07 2bcx h ARG 106 Ca 0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2bcx h ARG 106 Cb 0.49 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2bcx h ARG 106 CO 0.02 0.48 0.11 1.25 -1.07 0.00 0.00 179.97 180.76 2bcx h HIS 107 N 0.74 0.48 -0.37 3.04 2.76 -1.11 -0.18 115.15 120.51 2bcx h HIS 107 Ca 0.27 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2bcx h HIS 107 Cb 0.15 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2bcx h HIS 107 CO -0.00 0.47 0.06 0.28 -1.30 0.00 0.00 177.93 177.44 2bcx h VAL 108 N 0.34 1.24 -0.52 5.26 2.07 -1.13 0.70 116.25 124.22 2bcx h VAL 108 Ca 0.10 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2bcx h VAL 108 Cb 0.20 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2bcx h VAL 108 CO -0.01 0.29 0.34 0.24 0.02 0.00 0.00 177.57 178.46 2bcx h MET 109 N 0.46 0.69 -0.06 1.57 2.07 -1.27 0.64 114.93 119.02 2bcx h MET 109 Ca 0.11 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 2bcx h MET 109 Cb 0.36 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.94 2bcx h MET 109 CO 0.01 0.46 0.02 1.15 1.07 0.00 0.00 176.91 179.62 2bcx h THR 110 N 0.71 1.15 -0.11 2.22 2.02 -0.77 0.34 112.91 118.46 2bcx h THR 110 Ca 0.19 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.96 2bcx h THR 110 Cb -0.08 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2bcx h THR 110 CO -0.04 0.12 0.08 0.78 0.37 0.00 0.00 175.52 176.84 2bcx h ASN 111 N -0.07 0.01 -0.56 4.18 2.35 -0.56 -1.26 115.58 119.66 2bcx h ASN 111 Ca 0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2bcx h ASN 111 Cb 0.18 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2bcx h ASN 111 CO -0.00 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.96 2bcx n LEU 112 N -4.51 3.24 -1.36 1.61 4.77 0.19 -4.94 117.00 116.00 2bcx n LEU 112 Ca -0.00 -1.62 -0.12 0.00 -0.03 0.00 0.00 56.01 54.23 2bcx n LEU 112 Cb 0.20 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2bcx n LEU 112 CO 0.35 0.74 -0.15 0.61 -1.33 0.00 0.00 177.39 177.60 2bcx n GLY 113 N 1.31 0.02 3.54 -0.72 0.00 -0.48 -5.00 105.19 103.86 2bcx n GLY 113 Ca 0.19 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2bcx n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bcx s GLU 114 N -4.44 3.62 0.69 1.61 2.56 0.11 -5.02 118.70 117.84 2bcx s GLU 114 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 54.97 54.26 2bcx s GLU 114 Cb 0.00 -3.73 0.02 0.00 2.00 0.00 0.00 34.13 32.42 2bcx s GLU 114 CO 0.00 -0.36 1.22 0.15 -0.56 0.00 0.00 175.26 175.71 2bcx s LYS 115 N 1.72 2.34 0.12 4.30 -0.14 -1.26 -4.17 119.74 122.65 2bcx s LYS 115 Ca 0.06 1.82 -0.13 0.00 -1.36 0.00 0.00 55.97 56.36 2bcx s LYS 115 Cb -0.17 -1.85 0.02 0.00 -1.68 0.00 0.00 37.83 34.15 2bcx s LYS 115 CO 0.10 -1.70 0.34 -0.48 -0.76 0.00 0.00 175.35 172.86 2bcx s LEU 116 N -4.85 0.72 0.13 3.17 -0.00 -1.26 -5.04 118.68 111.54 2bcx s LEU 116 Ca 0.76 -0.48 0.04 0.00 -0.00 0.00 0.00 54.13 54.46 2bcx s LEU 116 Cb -0.31 1.58 -0.04 0.00 -0.00 0.00 0.00 46.19 47.42 2bcx s LEU 116 CO 0.42 -0.84 -0.11 0.42 -0.00 0.00 0.00 176.35 176.25 2bcx s THR 117 N -3.84 1.12 0.28 5.48 -4.23 -1.26 -5.05 115.64 108.13 2bcx s THR 117 Ca 0.05 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 2bcx s THR 117 Cb 0.03 -1.65 0.20 0.00 1.34 0.00 0.00 72.50 72.41 2bcx s THR 117 CO -0.10 -0.64 1.87 0.44 -0.54 0.00 0.00 174.62 175.66 2bcx h ASP 118 N 3.14 0.90 -0.38 3.99 3.32 -2.01 -2.26 116.42 123.11 2bcx h ASP 118 Ca -0.37 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2bcx h ASP 118 Cb 1.19 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2bcx h ASP 118 CO 0.58 0.77 0.15 -0.08 -1.72 0.00 0.00 179.24 178.94 2bcx h GLU 119 N 0.99 0.58 -0.42 3.56 4.57 -1.99 -0.11 114.58 121.76 2bcx h GLU 119 Ca 0.24 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2bcx h GLU 119 Cb 0.12 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 2bcx h GLU 119 CO -0.03 0.56 0.18 1.49 -1.18 0.00 0.00 179.01 180.03 2bcx h GLU 120 N 0.48 0.35 -0.65 1.92 4.81 -1.92 -0.46 114.58 119.11 2bcx h GLU 120 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2bcx h GLU 120 Cb 0.20 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2bcx h GLU 120 CO -0.01 0.23 0.37 0.28 -0.73 0.00 0.00 179.01 179.15 2bcx h VAL 121 N 0.36 1.20 -0.44 0.32 2.07 -1.12 0.68 116.25 119.32 2bcx h VAL 121 Ca 0.19 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 2bcx h VAL 121 Cb 0.14 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2bcx h VAL 121 CO -0.16 0.21 -0.06 0.44 0.02 0.00 0.00 177.57 178.02 2bcx h ASP 122 N 0.88 0.73 0.27 0.57 3.32 -0.64 -2.08 116.42 119.46 2bcx h ASP 122 Ca 0.23 -0.19 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 2bcx h ASP 122 Cb 0.01 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2bcx h ASP 122 CO -0.04 0.83 -0.78 -0.33 -1.72 0.00 0.00 179.24 177.20 2bcx h GLU 123 N 0.69 0.42 -0.40 3.56 5.08 -0.72 -1.01 114.58 122.20 2bcx h GLU 123 Ca 0.13 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2bcx h GLU 123 Cb 0.51 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2bcx h GLU 123 CO 0.03 1.01 0.24 0.52 -1.00 0.00 0.00 179.01 179.81 2bcx h MET 124 N 0.27 0.48 -0.05 2.33 2.86 -0.62 0.34 114.93 120.54 2bcx h MET 124 Ca -0.04 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2bcx h MET 124 Cb 1.38 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 2bcx h MET 124 CO 0.14 0.32 0.00 0.82 1.06 0.00 0.00 176.91 179.25 2bcx h ILE 125 N 0.49 1.24 -0.51 -1.22 2.04 -1.36 -2.59 117.51 115.60 2bcx h ILE 125 Ca 0.16 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.36 2bcx h ILE 125 Cb -0.01 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2bcx h ILE 125 CO -0.06 0.20 0.15 -0.09 0.00 0.00 0.00 178.15 178.35 2bcx h ARG 126 N -0.18 0.30 -0.07 2.37 2.43 -1.01 0.80 114.38 119.02 2bcx h ARG 126 Ca 0.02 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2bcx h ARG 126 Cb 0.32 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2bcx h ARG 126 CO 0.00 0.20 -0.13 1.49 -1.51 0.00 0.00 179.97 180.03 2bcx h GLU 127 N 0.31 0.11 0.00 0.20 4.81 -0.87 -2.83 114.58 116.32 2bcx h GLU 127 Ca 0.25 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2bcx h GLU 127 Cb 0.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2bcx h GLU 127 CO -0.29 0.24 -1.37 0.00 -0.73 0.00 0.00 179.01 176.87 2bcx n ALA 128 N -2.50 2.48 -2.44 2.92 0.00 -0.44 -4.79 120.51 115.74 2bcx n ALA 128 Ca -0.02 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 2bcx n ALA 128 Cb 0.23 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2bcx n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bcx s ASP 129 N -5.21 6.30 0.05 0.00 2.15 0.27 -4.81 116.67 115.42 2bcx s ASP 129 Ca -0.03 -1.99 -0.21 0.00 0.43 0.00 0.00 52.55 50.75 2bcx s ASP 129 Cb 0.10 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 40.01 2bcx s ASP 129 CO 0.83 -1.73 1.47 0.40 -0.17 0.00 0.00 175.17 175.97 2bcx h ILE 130 N 6.04 1.26 0.00 4.11 2.04 -1.87 -3.01 117.51 126.09 2bcx h ILE 130 Ca 0.33 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2bcx h ILE 130 Cb 0.92 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2bcx h ILE 130 CO 1.39 0.25 0.00 -0.90 0.00 0.00 0.00 178.15 178.89 2bcx n ASP 131 N -4.76 0.00 -1.55 1.72 5.68 -1.26 -4.92 116.55 111.46 2bcx n ASP 131 Ca -0.06 -0.09 -0.12 0.00 -0.50 0.00 0.00 54.79 54.01 2bcx n ASP 131 Cb 0.22 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2bcx n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bcx n GLY 132 N 0.97 -0.10 0.63 6.12 0.00 -1.14 -4.92 105.19 106.76 2bcx n GLY 132 Ca 0.13 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2bcx n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bcx n ASP 133 N -0.46 1.96 0.00 1.61 5.75 -1.26 -4.94 116.55 119.21 2bcx n ASP 133 Ca -0.12 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 2bcx n ASP 133 Cb 0.60 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2bcx n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bcx n GLY 134 N 1.23 0.74 3.20 6.12 0.00 -1.26 -5.04 105.19 110.18 2bcx n GLY 134 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2bcx n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bcx s GLN 135 N -0.54 1.21 -0.28 1.61 -0.21 -1.26 -4.76 119.66 115.44 2bcx s GLN 135 Ca 0.00 -1.64 -0.06 0.00 0.02 0.00 0.00 55.36 53.68 2bcx s GLN 135 Cb 0.00 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.27 2bcx s GLN 135 CO 0.00 -0.39 0.06 0.08 -2.12 0.00 0.00 175.29 172.92 2bcx s VAL 136 N -4.14 3.93 0.81 1.09 1.01 -0.81 -4.69 120.40 117.60 2bcx s VAL 136 Ca 0.39 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2bcx s VAL 136 Cb 0.07 -2.98 0.15 0.00 0.00 0.00 0.00 36.38 33.63 2bcx s VAL 136 CO 0.12 0.15 1.12 0.54 0.00 0.00 0.00 175.10 177.04 2bcx s ASN 137 N 1.51 3.88 0.11 3.32 2.20 -1.26 -0.32 114.94 124.38 2bcx s ASN 137 Ca 0.03 -0.12 -0.24 0.00 -0.94 0.00 0.00 52.86 51.60 2bcx s ASN 137 Cb -0.17 -0.13 -0.08 0.00 -2.00 0.00 0.00 41.25 38.87 2bcx s ASN 137 CO 0.02 -2.20 1.69 0.22 -2.94 0.00 0.00 177.10 173.89 2bcx h TYR 138 N -0.96 -0.30 -0.77 1.54 3.20 -1.99 0.36 116.97 118.05 2bcx h TYR 138 Ca -0.39 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.59 2bcx h TYR 138 Cb 1.25 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 39.59 2bcx h TYR 138 CO -0.55 -0.18 0.41 1.49 -1.64 0.00 0.00 178.16 177.68 2bcx h GLU 139 N -0.20 0.66 -0.20 1.82 4.57 -1.94 0.16 114.58 119.45 2bcx h GLU 139 Ca 0.04 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 2bcx h GLU 139 Cb 0.26 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2bcx h GLU 139 CO -0.12 0.43 -0.42 0.93 -1.18 0.00 0.00 179.01 178.65 2bcx h GLU 140 N 0.68 0.46 -0.19 1.92 5.08 -1.79 -1.73 114.58 119.01 2bcx h GLU 140 Ca 0.38 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2bcx h GLU 140 Cb 0.40 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2bcx h GLU 140 CO -0.27 0.81 0.11 0.35 -1.00 0.00 0.00 179.01 179.01 2bcx h PHE 141 N 0.38 0.26 -0.27 4.33 3.04 0.66 -0.82 116.94 124.51 2bcx h PHE 141 Ca 0.03 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2bcx h PHE 141 Cb 0.90 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 2bcx h PHE 141 CO 0.03 0.21 0.15 0.28 -2.02 0.00 0.00 178.31 176.97 2bcx h VAL 142 N 0.22 1.12 -0.56 1.41 2.07 -0.59 -0.26 116.25 119.66 2bcx h VAL 142 Ca 0.07 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2bcx h VAL 142 Cb 0.03 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2bcx h VAL 142 CO -0.01 0.12 0.33 1.56 0.02 0.00 0.00 177.57 179.59 2bcx h GLN 143 N 0.33 0.63 -0.06 1.57 4.20 -1.15 -2.98 115.11 117.66 2bcx h GLN 143 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2bcx h GLN 143 Cb 0.05 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2bcx h GLN 143 CO -0.02 0.42 -0.01 1.98 -0.67 0.00 0.00 178.83 180.53 2bcx h MET 144 N 0.65 0.11 0.00 1.46 4.05 -0.98 -3.51 114.93 116.70 2bcx h MET 144 Ca 0.23 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2bcx h MET 144 Cb 0.05 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 2bcx h MET 144 CO -0.11 0.43 0.00 -1.33 0.23 0.00 0.00 176.91 176.13