#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbm n ASP 2 N 0.00 0.93 0.34 0.00 9.92 -1.26 -4.58 116.55 121.90 2bbm n ASP 2 Ca 0.00 -0.42 0.21 0.00 -0.53 0.00 0.00 54.79 54.04 2bbm n ASP 2 Cb 0.00 1.01 1.12 0.00 -0.64 0.00 0.00 41.12 42.61 2bbm n ASP 2 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2bbm h GLN 3 N 0.00 0.00 -0.31 -1.24 4.20 -2.11 0.33 115.11 115.98 2bbm h GLN 3 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bbm h GLN 3 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2bbm h GLN 3 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2bbm n LEU 4 N -3.05 1.60 0.00 1.46 4.32 -1.26 -4.45 117.00 115.62 2bbm n LEU 4 Ca -0.03 -0.80 0.00 0.00 -0.02 0.00 0.00 56.01 55.16 2bbm n LEU 4 Cb 0.15 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 2bbm n LEU 4 CO 0.18 0.39 0.00 0.35 -1.22 0.00 0.00 177.39 177.10 2bbm n THR 5 N 0.35 0.00 -0.62 -5.08 -2.24 0.12 -4.81 114.28 102.00 2bbm n THR 5 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2bbm n THR 5 Cb 0.26 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 2bbm n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbm n GLU 6 N -0.50 -1.73 0.07 -0.78 1.02 -1.26 -4.71 120.64 112.76 2bbm n GLU 6 Ca 0.00 0.25 -0.10 0.00 -0.02 0.00 0.00 57.16 57.29 2bbm n GLU 6 Cb 0.00 -3.73 -0.07 0.00 -0.02 0.00 0.00 31.44 27.62 2bbm n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbm h GLU 7 N 0.00 -0.25 -0.02 3.49 5.08 -1.95 -1.68 114.58 119.25 2bbm h GLU 7 Ca -0.05 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bbm h GLU 7 Cb 0.37 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2bbm h GLU 7 CO 0.07 0.13 0.01 1.96 -1.00 0.00 0.00 179.01 180.18 2bbm h GLN 8 N -0.91 0.04 -0.76 2.33 4.20 -2.00 -1.79 115.11 116.22 2bbm h GLN 8 Ca -0.03 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.85 2bbm h GLN 8 Cb 0.50 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.16 2bbm h GLN 8 CO 0.04 0.16 0.20 0.82 -0.67 0.00 0.00 178.83 179.39 2bbm h ILE 9 N -0.10 0.50 -0.30 2.54 2.04 -1.94 0.45 117.51 120.70 2bbm h ILE 9 Ca 0.01 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 2bbm h ILE 9 Cb 0.14 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2bbm h ILE 9 CO -0.00 0.05 0.03 0.00 0.00 0.00 0.00 178.15 178.23 2bbm h ALA 10 N 1.63 1.50 0.44 1.87 0.00 -0.89 -2.02 119.26 121.79 2bbm h ALA 10 Ca 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2bbm h ALA 10 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2bbm h ALA 10 CO -0.52 0.37 -0.21 0.93 0.00 0.00 0.00 179.25 179.81 2bbm h GLU 11 N 0.44 -0.57 -0.30 0.00 5.08 0.74 -1.84 114.58 118.12 2bbm h GLU 11 Ca 0.10 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2bbm h GLU 11 Cb 0.24 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2bbm h GLU 11 CO 0.00 -0.27 -0.14 0.74 -1.00 0.00 0.00 179.01 178.34 2bbm h PHE 12 N -0.85 -0.34 -0.73 4.33 0.04 -1.27 -1.88 116.94 116.23 2bbm h PHE 12 Ca -0.06 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.84 2bbm h PHE 12 Cb 0.56 0.20 -0.12 0.00 2.20 0.00 0.00 35.95 38.79 2bbm h PHE 12 CO 0.01 -0.21 -0.46 -0.22 -0.60 0.00 0.00 178.31 176.82 2bbm h LYS 13 N -0.10 -0.14 -0.82 1.51 3.64 -1.28 0.71 116.57 120.09 2bbm h LYS 13 Ca 0.15 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 2bbm h LYS 13 Cb 0.33 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 2bbm h LYS 13 CO -0.36 -0.09 0.54 0.93 -2.27 0.00 0.00 179.45 178.19 2bbm h GLU 14 N -0.15 0.56 -0.65 1.90 5.08 -0.55 0.23 114.58 121.01 2bbm h GLU 14 Ca 0.21 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2bbm h GLU 14 Cb 0.54 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2bbm h GLU 14 CO -0.79 0.37 0.23 0.00 -1.00 0.00 0.00 179.01 177.82 2bbm h ALA 15 N 1.62 1.17 -0.10 3.43 0.00 0.95 0.59 119.26 126.92 2bbm h ALA 15 Ca 0.41 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2bbm h ALA 15 Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bbm h ALA 15 CO -0.16 0.59 -0.65 0.74 0.00 0.00 0.00 179.25 179.76 2bbm h PHE 16 N 0.95 0.53 0.00 0.00 -1.00 0.70 0.30 116.94 118.41 2bbm h PHE 16 Ca 0.22 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2bbm h PHE 16 Cb 0.24 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 2bbm h PHE 16 CO 0.02 0.94 -0.07 0.77 -1.61 0.00 0.00 178.31 178.36 2bbm h SER 17 N 0.29 0.00 0.06 2.17 0.02 -0.29 0.66 113.55 116.47 2bbm h SER 17 Ca -0.01 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.59 2bbm h SER 17 Cb 1.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 2bbm h SER 17 CO 0.11 0.07 -1.96 -0.11 -1.14 0.00 0.00 176.83 173.80 2bbm n LEU 18 N -3.17 2.45 -0.06 5.07 7.94 0.15 -4.36 117.00 125.01 2bbm n LEU 18 Ca 0.01 0.21 -0.16 0.00 -1.11 0.00 0.00 56.01 54.97 2bbm n LEU 18 Cb 0.39 -1.02 -0.06 0.00 0.53 0.00 0.00 43.42 43.26 2bbm n LEU 18 CO 0.30 0.70 0.38 0.15 -1.11 0.00 0.00 177.39 177.82 2bbm h PHE 19 N -0.30 1.03 -2.67 1.96 3.04 -0.43 -3.40 116.94 116.17 2bbm h PHE 19 Ca -0.46 -0.40 -0.56 0.00 3.98 0.00 0.00 57.97 60.52 2bbm h PHE 19 Cb 1.80 -0.18 -0.09 0.00 2.56 0.00 0.00 35.95 40.03 2bbm h PHE 19 CO 0.06 1.22 0.91 0.34 -2.02 0.00 0.00 178.31 178.82 2bbm s ASP 20 N -6.94 6.24 0.10 0.41 2.15 0.22 -4.81 116.67 114.04 2bbm s ASP 20 Ca -0.11 -0.41 0.24 0.00 0.43 0.00 0.00 52.55 52.71 2bbm s ASP 20 Cb 0.09 -2.52 0.39 0.00 -0.30 0.00 0.00 42.92 40.58 2bbm s ASP 20 CO 0.88 -1.64 1.35 0.29 -0.17 0.00 0.00 175.17 175.89 2bbm n LYS 21 N 8.71 0.24 0.02 4.34 5.02 -1.26 -4.27 118.16 130.97 2bbm n LYS 21 Ca 0.03 0.07 -0.02 0.00 -2.02 0.00 0.00 58.31 56.37 2bbm n LYS 21 Cb 0.48 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2bbm n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bbm h ASP 22 N 0.00 -0.12 0.00 4.39 3.32 -1.96 -3.49 116.42 118.56 2bbm h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bbm h ASP 22 Cb 0.71 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2bbm h ASP 22 CO 0.00 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.40 2bbm n GLY 23 N 1.39 -0.97 0.14 2.75 0.00 -1.26 -5.03 105.19 102.20 2bbm n GLY 23 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2bbm n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bbm h ASP 24 N 0.00 0.50 -1.81 1.61 3.04 -1.94 -3.49 116.42 114.33 2bbm h ASP 24 Ca 0.00 -0.91 0.00 0.00 -3.24 0.00 0.00 57.03 52.88 2bbm h ASP 24 Cb 0.00 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.13 2bbm h ASP 24 CO 0.00 1.75 0.00 0.61 -2.04 0.00 0.00 179.24 179.56 2bbm n GLY 25 N 1.84 0.70 3.43 7.15 0.00 -1.26 -5.10 105.19 111.96 2bbm n GLY 25 Ca -0.26 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 2bbm n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbm s THR 26 N -2.58 -0.01 -0.39 2.61 -4.23 -1.26 -4.71 115.64 105.07 2bbm s THR 26 Ca 0.00 0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 2bbm s THR 26 Cb 0.00 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 73.10 2bbm s THR 26 CO 0.00 0.01 1.32 -0.63 -0.54 0.00 0.00 174.62 174.78 2bbm s ILE 27 N 0.74 4.04 0.31 2.99 -1.09 -1.19 -4.81 121.20 122.20 2bbm s ILE 27 Ca -0.04 1.10 0.05 0.00 -2.23 0.00 0.00 60.65 59.54 2bbm s ILE 27 Cb -0.05 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.49 2bbm s ILE 27 CO -0.05 -0.72 0.02 -0.89 -1.23 0.00 0.00 174.94 172.06 2bbm s THR 28 N 4.90 1.37 0.64 2.92 2.01 -1.26 -3.16 115.64 123.06 2bbm s THR 28 Ca 0.57 -2.04 0.33 0.00 0.31 0.00 0.00 61.69 60.86 2bbm s THR 28 Cb -0.13 -2.68 0.35 0.00 0.01 0.00 0.00 72.50 70.05 2bbm s THR 28 CO 0.29 -0.11 2.06 0.71 -0.69 0.00 0.00 174.62 176.89 2bbm h THR 29 N 2.16 0.14 0.22 -0.82 1.35 -1.93 0.30 112.91 114.32 2bbm h THR 29 Ca -0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 2bbm h THR 29 Cb 1.24 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2bbm h THR 29 CO 0.70 0.00 -0.10 0.50 -0.25 0.00 0.00 175.52 176.36 2bbm h LYS 30 N 0.00 -0.28 0.00 4.72 3.64 -1.96 0.25 116.57 122.94 2bbm h LYS 30 Ca 0.04 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2bbm h LYS 30 Cb 0.52 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2bbm h LYS 30 CO -0.00 -0.19 -0.23 0.93 -2.27 0.00 0.00 179.45 177.70 2bbm h GLU 31 N -0.98 0.00 0.07 1.90 5.08 -1.77 -0.95 114.58 117.94 2bbm h GLU 31 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bbm h GLU 31 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2bbm h GLU 31 CO 0.05 0.23 -0.04 1.25 -1.00 0.00 0.00 179.01 179.50 2bbm h LEU 32 N 0.00 -0.09 0.48 1.33 5.85 -0.51 -2.74 115.31 119.64 2bbm h LEU 32 Ca -0.00 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2bbm h LEU 32 Cb 0.40 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2bbm h LEU 32 CO 0.03 0.50 -0.51 1.23 -0.34 0.00 0.00 178.44 179.36 2bbm h GLY 33 N -0.73 -1.27 -0.29 3.75 0.00 -0.21 0.70 103.07 105.02 2bbm h GLY 33 Ca -0.01 0.60 0.03 0.00 0.00 0.00 0.00 47.33 47.95 2bbm h GLY 33 CO 0.02 -0.37 -0.28 -0.91 0.00 0.00 0.00 176.54 175.00 2bbm h THR 34 N -0.99 0.00 0.39 4.70 1.35 -1.29 0.56 112.91 117.63 2bbm h THR 34 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 2bbm h THR 34 Cb 0.87 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 2bbm h THR 34 CO -0.08 0.00 -0.19 0.58 -0.25 0.00 0.00 175.52 175.58 2bbm h VAL 35 N -0.14 0.00 -1.13 6.82 2.07 -1.38 -1.44 116.25 121.05 2bbm h VAL 35 Ca 0.05 -0.01 0.39 0.00 0.82 0.00 0.00 66.70 67.95 2bbm h VAL 35 Cb 0.27 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.89 2bbm h VAL 35 CO -0.35 0.00 0.68 -0.03 0.02 0.00 0.00 177.57 177.89 2bbm h MET 36 N -0.53 0.14 -0.39 1.57 -1.53 0.50 1.08 114.93 115.77 2bbm h MET 36 Ca -0.05 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.14 2bbm h MET 36 Cb 0.40 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 2bbm h MET 36 CO 0.09 0.09 0.03 -0.09 0.14 0.00 0.00 176.91 177.16 2bbm h ARG 37 N 0.14 0.67 -0.90 0.39 2.43 0.39 0.47 114.38 117.97 2bbm h ARG 37 Ca 0.80 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 2bbm h ARG 37 Cb 2.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 2bbm h ARG 37 CO -0.57 0.75 0.00 0.45 -1.51 0.00 0.00 179.97 179.09 2bbm n SER 38 N -4.48 0.90 0.00 -3.80 2.88 0.37 -1.48 113.62 108.01 2bbm n SER 38 Ca -0.01 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 2bbm n SER 38 Cb 0.26 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2bbm n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbm n LEU 39 N -0.04 0.67 -0.84 2.46 7.94 -0.66 -4.94 117.00 121.59 2bbm n LEU 39 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 2bbm n LEU 39 Cb 0.23 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.13 2bbm n LEU 39 CO 0.00 0.11 0.31 0.61 -1.11 0.00 0.00 177.39 177.31 2bbm n GLY 40 N 1.91 0.68 0.67 -3.96 0.00 0.16 -5.08 105.19 99.57 2bbm n GLY 40 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2bbm n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bbm n GLN 41 N 0.01 -1.45 -3.66 1.61 7.27 -0.55 -4.91 117.38 115.72 2bbm n GLN 41 Ca -0.18 1.07 -0.25 0.00 0.07 0.00 0.00 57.00 57.71 2bbm n GLN 41 Cb 0.65 -1.73 -0.17 0.00 2.41 0.00 0.00 30.24 31.40 2bbm n GLN 41 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2bbm s ASN 42 N -5.86 2.18 0.00 1.69 2.47 -1.26 -3.99 114.94 110.17 2bbm s ASN 42 Ca 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.79 2bbm s ASN 42 Cb 0.00 -0.31 0.00 0.00 -1.45 0.00 0.00 41.25 39.49 2bbm s ASN 42 CO 0.00 -0.31 0.00 -0.81 -3.72 0.00 0.00 177.10 172.26 2bbm n PRO 43 N 5.23 0.00 -3.58 0.43 -0.04 -1.26 -4.98 135.00 130.80 2bbm n PRO 43 Ca -0.07 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.16 2bbm n PRO 43 Cb 0.49 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.96 2bbm n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bbm s THR 44 N 0.00 1.97 -0.23 0.52 -4.23 -1.26 -5.06 115.64 107.34 2bbm s THR 44 Ca 0.00 -1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 2bbm s THR 44 Cb 0.00 -2.29 -0.18 0.00 1.34 0.00 0.00 72.50 71.38 2bbm s THR 44 CO 0.00 0.00 -0.06 -0.62 -0.54 0.00 0.00 174.62 173.40 2bbm n GLU 45 N -1.87 0.63 -0.34 3.99 1.02 -1.26 -4.01 120.64 118.80 2bbm n GLU 45 Ca 0.04 0.30 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 2bbm n GLU 45 Cb 0.63 -1.60 0.34 0.00 -0.02 0.00 0.00 31.44 30.80 2bbm n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bbm h ALA 46 N -0.43 1.67 -0.60 0.62 0.00 -1.99 0.17 119.26 118.70 2bbm h ALA 46 Ca -0.54 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2bbm h ALA 46 Cb 1.70 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2bbm h ALA 46 CO -0.20 -0.20 0.16 0.93 0.00 0.00 0.00 179.25 179.95 2bbm h GLU 47 N 0.62 0.95 -0.29 0.00 5.08 -1.99 -0.32 114.58 118.61 2bbm h GLU 47 Ca 0.60 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 2bbm h GLU 47 Cb 1.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2bbm h GLU 47 CO -0.45 0.86 0.07 -0.07 -1.00 0.00 0.00 179.01 178.43 2bbm h LEU 48 N 0.86 0.44 -0.89 1.33 4.07 -0.87 -0.16 115.31 120.10 2bbm h LEU 48 Ca 0.19 -0.23 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 2bbm h LEU 48 Cb 0.33 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2bbm h LEU 48 CO -0.00 0.56 0.28 -0.61 -1.08 0.00 0.00 178.44 177.59 2bbm h GLN 49 N 0.31 1.09 -0.39 1.13 4.15 -0.97 -1.60 115.11 118.84 2bbm h GLN 49 Ca 0.09 -0.20 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 2bbm h GLN 49 Cb 0.29 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2bbm h GLN 49 CO 0.00 0.90 -0.16 0.22 -1.93 0.00 0.00 178.83 177.86 2bbm h ASP 50 N 1.07 0.71 0.41 -0.69 3.58 -0.81 -1.78 116.42 118.91 2bbm h ASP 50 Ca 0.24 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 2bbm h ASP 50 Cb 0.22 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2bbm h ASP 50 CO -0.02 0.88 -0.39 -0.03 -2.88 0.00 0.00 179.24 176.79 2bbm h MET 51 N 0.64 0.00 0.00 0.28 4.05 -0.48 -1.97 114.93 117.45 2bbm h MET 51 Ca 0.10 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.32 2bbm h MET 51 Cb 0.62 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 2bbm h MET 51 CO 0.04 0.39 -0.98 0.82 0.23 0.00 0.00 176.91 177.42 2bbm h ILE 52 N 0.00 1.69 0.00 1.77 2.04 -0.89 -3.21 117.51 118.90 2bbm h ILE 52 Ca -0.00 -3.32 -0.16 0.00 1.00 0.00 0.00 64.86 62.38 2bbm h ILE 52 Cb 0.70 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 2bbm h ILE 52 CO 0.05 0.95 -0.76 -1.13 0.00 0.00 0.00 178.15 177.26 2bbm h ASN 53 N 0.00 0.00 0.18 1.72 -1.24 -1.03 0.76 115.58 115.98 2bbm h ASN 53 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2bbm h ASN 53 Cb 1.72 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.77 2bbm h ASN 53 CO 0.13 0.76 0.00 1.21 -1.29 0.00 0.00 177.43 178.24 2bbm n GLU 54 N -3.61 0.12 0.00 6.67 2.13 -0.77 -3.19 120.64 121.98 2bbm n GLU 54 Ca -0.01 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2bbm n GLU 54 Cb 0.74 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.95 2bbm n GLU 54 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2bbm n VAL 55 N -1.30 0.00 -1.57 6.31 3.14 -1.10 -4.99 118.33 118.82 2bbm n VAL 55 Ca 0.04 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.01 2bbm n VAL 55 Cb 0.07 -0.46 -0.04 0.00 -1.06 0.00 0.00 33.84 32.36 2bbm n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2bbm n ASP 56 N -1.93 2.76 0.18 6.55 2.03 0.24 -4.83 116.55 121.55 2bbm n ASP 56 Ca 0.00 -0.06 -0.13 0.00 0.52 0.00 0.00 54.79 55.12 2bbm n ASP 56 Cb 0.34 -1.53 -0.08 0.00 -0.72 0.00 0.00 41.12 39.13 2bbm n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbm h ALA 57 N 16.56 -0.49 -0.18 -1.67 0.00 -1.90 -3.36 119.26 128.23 2bbm h ALA 57 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2bbm h ALA 57 Cb 1.26 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2bbm h ALA 57 CO 1.05 -0.59 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 2bbm n ASP 58 N -5.16 0.00 0.00 0.00 9.92 -1.26 -4.96 116.55 115.09 2bbm n ASP 58 Ca -0.10 0.97 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 2bbm n ASP 58 Cb 0.28 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 2bbm n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbm n GLY 59 N -0.97 -0.67 0.00 0.44 0.00 -1.26 -4.98 105.19 97.75 2bbm n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bbm n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbm n ASN 60 N 0.00 0.00 0.00 1.61 4.13 -1.26 -4.69 115.26 115.05 2bbm n ASN 60 Ca 0.00 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2bbm n ASN 60 Cb 0.00 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2bbm n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bbm n GLY 61 N -1.25 0.67 1.98 7.41 0.00 -1.26 -4.93 105.19 107.81 2bbm n GLY 61 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2bbm n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbm n THR 62 N -2.00 0.00 -4.84 2.61 -2.24 -1.26 -4.75 114.28 101.81 2bbm n THR 62 Ca 0.00 -1.49 -0.25 0.00 -2.27 0.00 0.00 64.05 60.05 2bbm n THR 62 Cb 0.00 0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 2bbm n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bbm s ILE 63 N -2.77 1.38 0.00 2.28 1.01 -1.19 -4.93 121.20 116.98 2bbm s ILE 63 Ca 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2bbm s ILE 63 Cb 0.01 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2bbm s ILE 63 CO 0.16 0.39 0.00 0.47 0.00 0.00 0.00 174.94 175.96 2bbm n ASP 64 N 2.68 0.52 0.12 3.58 8.00 -1.26 -3.14 116.55 127.06 2bbm n ASP 64 Ca -0.15 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.26 2bbm n ASP 64 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 2bbm n ASP 64 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2bbm h PHE 65 N 0.00 -0.36 -0.43 1.24 0.04 -2.00 -2.51 116.94 112.91 2bbm h PHE 65 Ca 0.00 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.83 2bbm h PHE 65 Cb 0.00 0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 2bbm h PHE 65 CO 0.00 -0.10 0.10 -1.00 -0.60 0.00 0.00 178.31 176.71 2bbm h PRO 66 N -1.04 0.23 -0.59 1.51 0.13 -1.98 -0.29 132.00 129.98 2bbm h PRO 66 Ca -0.04 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2bbm h PRO 66 Cb 0.43 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 2bbm h PRO 66 CO 0.07 0.15 0.34 0.93 -0.23 0.00 0.00 178.00 179.26 2bbm h GLU 67 N 0.24 0.81 0.85 0.86 5.08 -1.97 0.31 114.58 120.77 2bbm h GLU 67 Ca 0.21 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2bbm h GLU 67 Cb 0.25 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2bbm h GLU 67 CO -0.26 0.60 -0.41 0.35 -1.00 0.00 0.00 179.01 178.29 2bbm h PHE 68 N 0.80 -1.06 -0.84 4.33 3.57 -0.94 0.48 116.94 123.27 2bbm h PHE 68 Ca 0.21 -0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.90 2bbm h PHE 68 Cb 0.01 0.35 -0.14 0.00 2.79 0.00 0.00 35.95 38.96 2bbm h PHE 68 CO -0.02 -0.66 0.19 -0.07 -2.23 0.00 0.00 178.31 175.52 2bbm h LEU 69 N -1.27 -0.06 -0.83 0.59 3.38 -0.99 0.75 115.31 116.87 2bbm h LEU 69 Ca -0.12 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2bbm h LEU 69 Cb 0.88 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2bbm h LEU 69 CO 0.19 -0.14 0.47 0.74 0.09 0.00 0.00 178.44 179.79 2bbm h THR 70 N 0.20 1.24 -0.48 0.22 2.02 0.03 0.74 112.91 116.88 2bbm h THR 70 Ca 0.51 -0.58 0.12 0.00 0.77 0.00 0.00 66.41 67.24 2bbm h THR 70 Cb 0.99 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2bbm h THR 70 CO -0.64 0.26 0.34 -0.03 0.37 0.00 0.00 175.52 175.82 2bbm h MET 71 N 1.15 0.08 0.01 6.66 1.85 0.54 1.28 114.93 126.51 2bbm h MET 71 Ca 0.29 -0.01 -0.36 0.00 -0.61 0.00 0.00 59.70 59.02 2bbm h MET 71 Cb 0.01 -0.02 -0.05 0.00 0.43 0.00 0.00 31.60 31.96 2bbm h MET 71 CO -0.05 0.06 -2.01 -1.33 -0.40 0.00 0.00 176.91 173.17 2bbm n MET 72 N -4.42 0.60 -0.16 0.39 2.00 -0.61 -4.36 117.12 110.55 2bbm n MET 72 Ca 0.08 0.38 -0.03 0.00 0.00 0.00 0.00 57.70 58.13 2bbm n MET 72 Cb 0.50 -1.61 0.18 0.00 0.00 0.00 0.00 33.22 32.29 2bbm n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbm h ALA 73 N -0.66 1.21 -1.81 3.04 0.00 0.64 -3.37 119.26 118.32 2bbm h ALA 73 Ca -0.54 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 53.61 2bbm h ALA 73 Cb 1.55 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2bbm h ALA 73 CO -0.28 0.56 1.19 0.50 0.00 0.00 0.00 179.25 181.21 2bbm s ARG 74 N -5.32 3.39 0.26 0.00 3.00 0.44 -4.91 118.95 115.80 2bbm s ARG 74 Ca -0.10 1.15 -0.09 0.00 -1.00 0.00 0.00 55.73 55.69 2bbm s ARG 74 Cb 0.16 -4.14 -0.01 0.00 0.00 0.00 0.00 34.95 30.96 2bbm s ARG 74 CO 0.80 -1.79 0.42 -1.59 0.00 0.00 0.00 175.30 173.14 2bbm s LYS 75 N 5.44 1.56 -0.10 5.12 -2.85 -1.26 -4.77 119.74 122.89 2bbm s LYS 75 Ca 0.71 -1.43 -0.01 0.00 -1.00 0.00 0.00 55.97 54.24 2bbm s LYS 75 Cb -0.18 0.43 0.03 0.00 -2.06 0.00 0.00 37.83 36.05 2bbm s LYS 75 CO 0.32 -0.63 -0.02 -1.64 0.10 0.00 0.00 175.35 173.48 2bbm s MET 76 N -3.83 0.89 0.31 1.78 -1.94 -1.26 -4.97 119.30 110.28 2bbm s MET 76 Ca 0.27 -0.05 0.07 0.00 -1.71 0.00 0.00 55.69 54.27 2bbm s MET 76 Cb 0.01 -1.26 0.36 0.00 2.01 0.00 0.00 34.83 35.94 2bbm s MET 76 CO 0.12 -0.32 1.02 0.36 -0.01 0.00 0.00 175.02 176.18 2bbm n LYS 77 N 5.08 0.05 -0.58 2.03 2.85 -1.26 -4.69 118.16 121.64 2bbm n LYS 77 Ca -0.09 0.50 -0.23 0.00 -1.05 0.00 0.00 58.31 57.45 2bbm n LYS 77 Cb 0.50 -2.16 -0.03 0.00 -0.65 0.00 0.00 35.03 32.68 2bbm n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2bbm n ASP 78 N -1.86 0.04 0.00 -5.58 9.92 -1.26 -4.36 116.55 113.44 2bbm n ASP 78 Ca -0.00 0.44 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 2bbm n ASP 78 Cb 0.51 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 2bbm n ASP 78 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2bbm n THR 79 N 0.65 0.00 -1.67 -3.53 -2.24 -1.26 -4.59 114.28 101.64 2bbm n THR 79 Ca 0.08 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.38 2bbm n THR 79 Cb 0.03 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 2bbm n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bbm n ASP 80 N 0.00 3.26 -3.47 3.42 5.68 -1.26 -4.86 116.55 119.31 2bbm n ASP 80 Ca 0.00 1.02 -0.40 0.00 -0.50 0.00 0.00 54.79 54.91 2bbm n ASP 80 Cb 0.00 -1.39 0.02 0.00 -1.14 0.00 0.00 41.12 38.61 2bbm n ASP 80 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2bbm n SER 81 N 5.23 7.45 0.30 -1.12 2.88 -1.26 -4.77 113.62 122.32 2bbm n SER 81 Ca 0.20 -3.65 0.03 0.00 -1.33 0.00 0.00 58.87 54.13 2bbm n SER 81 Cb 0.29 -1.17 0.18 0.00 -0.75 0.00 0.00 64.21 62.75 2bbm n SER 81 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2bbm h GLU 82 N 4.01 0.00 -1.40 -1.46 5.08 -2.00 0.73 114.58 119.55 2bbm h GLU 82 Ca 0.56 0.00 0.41 0.00 -1.00 0.00 0.00 59.36 59.32 2bbm h GLU 82 Cb 0.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2bbm h GLU 82 CO 1.25 0.00 1.00 0.93 -1.00 0.00 0.00 179.01 181.19 2bbm h GLU 83 N 0.00 0.02 0.25 2.33 5.08 -1.98 0.43 114.58 120.71 2bbm h GLU 83 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bbm h GLU 83 Cb 1.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2bbm h GLU 83 CO 0.00 0.01 -0.12 0.93 -1.00 0.00 0.00 179.01 178.83 2bbm h GLU 84 N 0.02 -0.33 -0.69 2.33 5.08 -1.27 -0.77 114.58 118.94 2bbm h GLU 84 Ca 0.67 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 59.19 2bbm h GLU 84 Cb 2.65 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 31.88 2bbm h GLU 84 CO -0.03 -0.22 0.21 0.82 -1.00 0.00 0.00 179.01 178.79 2bbm h ILE 85 N -0.52 0.62 0.09 3.13 5.03 -1.32 -0.44 117.51 124.11 2bbm h ILE 85 Ca -0.03 -0.12 0.01 0.00 -0.12 0.00 0.00 64.86 64.60 2bbm h ILE 85 Cb 0.26 0.26 -0.04 0.00 -3.03 0.00 0.00 36.82 34.26 2bbm h ILE 85 CO 0.06 0.06 -0.46 -0.09 -0.68 0.00 0.00 178.15 177.04 2bbm h ARG 86 N 0.34 -0.62 -0.57 2.37 2.43 -0.25 -0.28 114.38 117.80 2bbm h ARG 86 Ca 0.37 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.70 2bbm h ARG 86 Cb 0.58 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.17 2bbm h ARG 86 CO -0.42 -0.41 -0.07 1.49 -1.51 0.00 0.00 179.97 179.04 2bbm h GLU 87 N -0.64 0.05 -0.76 0.20 4.57 -0.25 0.29 114.58 118.04 2bbm h GLU 87 Ca -0.00 -0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 2bbm h GLU 87 Cb 0.65 -0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 29.12 2bbm h GLU 87 CO -0.26 0.03 0.24 0.00 -1.18 0.00 0.00 179.01 177.84 2bbm h ALA 88 N 1.55 1.05 0.71 2.92 0.00 -0.29 -1.22 119.26 123.97 2bbm h ALA 88 Ca 0.29 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2bbm h ALA 88 Cb 0.45 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2bbm h ALA 88 CO -0.54 -0.31 -0.46 0.35 0.00 0.00 0.00 179.25 178.29 2bbm h PHE 89 N 0.33 -1.24 -0.99 0.00 3.04 0.13 -2.40 116.94 115.81 2bbm h PHE 89 Ca 0.44 -0.01 0.36 0.00 3.98 0.00 0.00 57.97 62.74 2bbm h PHE 89 Cb 0.74 0.45 -0.18 0.00 2.56 0.00 0.00 35.95 39.52 2bbm h PHE 89 CO -0.22 -0.68 0.37 -0.09 -2.02 0.00 0.00 178.31 175.67 2bbm h ARG 90 N -1.10 0.02 -0.06 1.11 2.43 -0.18 1.21 114.38 117.80 2bbm h ARG 90 Ca -0.09 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2bbm h ARG 90 Cb 0.89 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 2bbm h ARG 90 CO 0.08 0.02 -0.05 0.28 -1.51 0.00 0.00 179.97 178.79 2bbm h VAL 91 N 0.03 0.85 0.54 0.20 2.07 -0.87 -2.87 116.25 116.20 2bbm h VAL 91 Ca 0.76 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.26 2bbm h VAL 91 Cb 1.86 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2bbm h VAL 91 CO -0.81 0.00 -0.36 -0.26 0.02 0.00 0.00 177.57 176.16 2bbm h PHE 92 N -0.06 -0.95 -0.82 1.57 -1.00 0.17 -3.24 116.94 112.61 2bbm h PHE 92 Ca 0.04 -0.01 -0.57 0.00 2.81 0.00 0.00 57.97 60.24 2bbm h PHE 92 Cb 0.12 0.35 -0.07 0.00 3.61 0.00 0.00 35.95 39.95 2bbm h PHE 92 CO -0.15 -0.54 1.77 0.34 -1.61 0.00 0.00 178.31 178.12 2bbm s ASP 93 N -4.46 6.32 0.07 2.17 2.15 -0.12 -4.76 116.67 118.04 2bbm s ASP 93 Ca -0.17 -2.01 -0.37 0.00 0.43 0.00 0.00 52.55 50.42 2bbm s ASP 93 Cb 0.04 -2.58 -0.19 0.00 -0.30 0.00 0.00 42.92 39.89 2bbm s ASP 93 CO 0.62 -1.70 1.56 0.50 -0.17 0.00 0.00 175.17 175.99 2bbm h LYS 94 N 8.61 -1.17 0.00 4.34 3.64 -1.61 -3.36 116.57 127.02 2bbm h LYS 94 Ca 0.34 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2bbm h LYS 94 Cb 0.92 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2bbm h LYS 94 CO 1.39 -0.78 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 2bbm n ASP 95 N -5.62 0.00 0.00 4.20 5.68 -1.26 -4.93 116.55 114.62 2bbm n ASP 95 Ca -0.15 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 2bbm n ASP 95 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2bbm n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbm n GLY 96 N -0.22 0.00 0.12 6.12 0.00 -1.26 -5.05 105.19 104.89 2bbm n GLY 96 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2bbm n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbm n ASN 97 N 0.00 1.90 0.00 1.61 4.13 -1.26 -5.02 115.26 116.62 2bbm n ASN 97 Ca 0.00 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.64 2bbm n ASN 97 Cb 0.00 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 2bbm n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bbm n GLY 98 N 1.39 1.12 3.89 7.41 0.00 -1.26 -5.11 105.19 112.64 2bbm n GLY 98 Ca -0.40 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 2bbm n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bbm s PHE 99 N -0.56 3.26 -0.04 1.61 -0.71 -1.26 -4.60 117.98 115.68 2bbm s PHE 99 Ca 0.00 -0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 55.73 2bbm s PHE 99 Cb 0.00 -1.50 -0.05 0.00 -1.21 0.00 0.00 43.02 40.27 2bbm s PHE 99 CO 0.00 0.47 0.26 0.42 -1.34 0.00 0.00 175.22 175.03 2bbm s ILE 100 N -2.07 5.30 0.38 -4.49 1.01 -0.81 -4.91 121.20 115.62 2bbm s ILE 100 Ca 0.34 0.35 0.08 0.00 0.00 0.00 0.00 60.65 61.42 2bbm s ILE 100 Cb -0.08 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 2bbm s ILE 100 CO 0.27 0.51 0.01 -0.44 0.00 0.00 0.00 174.94 175.28 2bbm s SER 101 N -1.32 3.99 0.10 3.58 0.01 -1.26 -3.39 113.70 115.42 2bbm s SER 101 Ca 0.22 -1.19 -0.20 0.00 1.31 0.00 0.00 55.95 56.09 2bbm s SER 101 Cb -0.14 -0.43 -0.09 0.00 0.21 0.00 0.00 66.02 65.58 2bbm s SER 101 CO 0.11 -0.35 1.70 0.00 0.41 0.00 0.00 173.24 175.12 2bbm h ALA 102 N 1.79 0.22 0.15 1.44 0.00 -1.99 -2.80 119.26 118.07 2bbm h ALA 102 Ca -0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2bbm h ALA 102 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2bbm h ALA 102 CO 0.73 -0.25 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 2bbm h ALA 103 N 0.99 -0.20 -0.37 0.00 0.00 -1.99 -2.60 119.26 115.10 2bbm h ALA 103 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bbm h ALA 103 Cb 0.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bbm h ALA 103 CO -0.01 -0.43 0.00 0.39 0.00 0.00 0.00 179.25 179.20 2bbm n GLU 104 N -5.02 0.00 -0.08 0.00 1.02 -1.20 -1.79 120.64 113.57 2bbm n GLU 104 Ca -0.09 0.87 -0.13 0.00 -0.02 0.00 0.00 57.16 57.79 2bbm n GLU 104 Cb 0.23 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.13 2bbm n GLU 104 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bbm h LEU 105 N 0.00 -1.60 -1.22 -4.62 5.85 -1.61 0.12 115.31 112.24 2bbm h LEU 105 Ca 0.00 0.22 0.41 0.00 0.84 0.00 0.00 57.88 59.35 2bbm h LEU 105 Cb 0.00 0.66 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2bbm h LEU 105 CO 0.00 -0.42 0.80 -1.14 -0.34 0.00 0.00 178.44 177.34 2bbm n ARG 106 N -5.41 -0.03 -0.01 1.25 0.63 -0.87 0.25 116.66 112.47 2bbm n ARG 106 Ca -0.03 1.05 -0.17 0.00 -0.92 0.00 0.00 57.85 57.78 2bbm n ARG 106 Cb 0.36 -2.09 -0.09 0.00 0.45 0.00 0.00 32.46 31.08 2bbm n ARG 106 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2bbm h HIS 107 N 0.00 0.79 -0.24 -0.14 2.76 0.06 -0.81 115.15 117.57 2bbm h HIS 107 Ca 0.75 -0.37 -0.20 0.00 -2.20 0.00 0.00 60.37 58.35 2bbm h HIS 107 Cb 2.49 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 31.34 2bbm h HIS 107 CO -0.00 1.17 -0.63 0.28 -1.30 0.00 0.00 177.93 177.45 2bbm h VAL 108 N 0.18 1.28 -0.10 5.26 2.07 0.37 -2.25 116.25 123.06 2bbm h VAL 108 Ca -0.05 -1.82 -0.19 0.00 0.82 0.00 0.00 66.70 65.45 2bbm h VAL 108 Cb 1.28 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2bbm h VAL 108 CO 0.13 0.59 -0.73 0.24 0.02 0.00 0.00 177.57 177.81 2bbm h MET 109 N 0.61 0.51 0.00 1.57 2.07 -0.44 -3.01 114.93 116.24 2bbm h MET 109 Ca -0.01 -0.41 -0.10 0.00 -2.07 0.00 0.00 59.70 57.12 2bbm h MET 109 Cb 1.24 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 31.04 2bbm h MET 109 CO 0.13 1.04 -0.46 1.15 1.07 0.00 0.00 176.91 179.85 2bbm h THR 110 N 0.35 1.25 0.00 2.22 2.02 -1.14 -2.75 112.91 114.85 2bbm h THR 110 Ca -0.03 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.54 2bbm h THR 110 Cb 1.32 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 2bbm h THR 110 CO 0.13 0.45 0.00 0.78 0.37 0.00 0.00 175.52 177.25 2bbm h ASN 111 N 0.00 0.00 0.24 4.18 4.21 -1.33 -3.15 115.58 119.74 2bbm h ASN 111 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 2bbm h ASN 111 Cb 0.85 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2bbm h ASN 111 CO 0.06 0.00 -0.05 0.25 -1.29 0.00 0.00 177.43 176.40 2bbm h LEU 112 N 0.00 0.00 0.00 1.61 5.85 -1.36 -3.45 115.31 117.96 2bbm h LEU 112 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bbm h LEU 112 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2bbm h LEU 112 CO 0.00 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 178.76 2bbm n GLY 113 N -0.88 1.58 3.71 3.75 0.00 -1.19 -5.13 105.19 107.03 2bbm n GLY 113 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2bbm n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbm s GLU 114 N -0.06 2.17 -0.27 1.61 2.12 -1.26 -5.13 118.70 117.87 2bbm s GLU 114 Ca 0.00 -2.39 0.03 0.00 0.36 0.00 0.00 54.97 52.97 2bbm s GLU 114 Cb 0.00 -1.21 0.06 0.00 0.26 0.00 0.00 34.13 33.24 2bbm s GLU 114 CO 0.00 -0.46 -0.08 0.15 -0.54 0.00 0.00 175.26 174.33 2bbm s LYS 115 N -3.82 2.18 -0.29 4.30 1.02 -1.26 -4.64 119.74 117.22 2bbm s LYS 115 Ca 0.07 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 54.67 2bbm s LYS 115 Cb 0.00 -2.96 0.08 0.00 -0.52 0.00 0.00 37.83 34.44 2bbm s LYS 115 CO 0.05 -0.62 0.02 -0.51 -0.92 0.00 0.00 175.35 173.37 2bbm s LEU 116 N 1.09 3.31 0.00 3.17 1.43 -1.26 -5.12 118.68 121.30 2bbm s LEU 116 Ca -0.06 -1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 51.31 2bbm s LEU 116 Cb -0.20 -1.28 0.11 0.00 0.03 0.00 0.00 46.19 44.86 2bbm s LEU 116 CO -0.05 -0.33 0.25 0.35 0.23 0.00 0.00 176.35 176.80 2bbm n THR 117 N 4.56 0.00 0.15 5.49 -2.24 -1.26 -4.86 114.28 116.12 2bbm n THR 117 Ca -0.04 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 2bbm n THR 117 Cb 0.43 -0.28 0.06 0.00 -2.10 0.00 0.00 70.33 68.43 2bbm n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2bbm h ASP 118 N -2.27 0.00 0.63 3.42 3.58 -2.00 -3.36 116.42 116.42 2bbm h ASP 118 Ca -0.11 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 2bbm h ASP 118 Cb 0.38 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.44 2bbm h ASP 118 CO 0.07 0.22 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.01 2bbm h GLU 119 N 0.00 -0.81 0.00 0.28 5.08 -1.99 -2.25 114.58 114.88 2bbm h GLU 119 Ca -0.02 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2bbm h GLU 119 Cb 1.18 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2bbm h GLU 119 CO 0.02 -0.51 0.00 0.39 -1.00 0.00 0.00 179.01 177.91 2bbm n GLU 120 N -5.35 0.00 -0.31 2.33 1.02 -1.26 -0.92 120.64 116.15 2bbm n GLU 120 Ca -0.11 0.87 -0.02 0.00 -0.02 0.00 0.00 57.16 57.87 2bbm n GLU 120 Cb 0.35 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2bbm n GLU 120 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bbm h VAL 121 N 0.00 0.07 -0.75 2.62 2.07 -1.71 0.44 116.25 118.99 2bbm h VAL 121 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2bbm h VAL 121 Cb 0.00 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 29.70 2bbm h VAL 121 CO 0.00 0.00 -0.18 -0.78 0.02 0.00 0.00 177.57 176.63 2bbm h ASP 122 N -0.06 -0.68 0.31 0.57 3.58 -0.55 0.93 116.42 120.51 2bbm h ASP 122 Ca 0.31 0.22 -0.07 0.00 0.42 0.00 0.00 57.03 57.91 2bbm h ASP 122 Cb 0.58 0.46 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2bbm h ASP 122 CO -0.87 -0.24 -0.31 -0.08 -2.88 0.00 0.00 179.24 174.86 2bbm h GLU 123 N 0.00 0.01 0.31 0.28 4.81 0.17 -0.90 114.58 119.25 2bbm h GLU 123 Ca 0.36 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 2bbm h GLU 123 Cb 0.56 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2bbm h GLU 123 CO -0.77 0.32 -0.15 0.52 -0.73 0.00 0.00 179.01 178.20 2bbm h MET 124 N 0.01 -0.40 -0.54 1.92 2.86 0.28 -2.70 114.93 116.36 2bbm h MET 124 Ca -0.00 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2bbm h MET 124 Cb 0.55 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 2bbm h MET 124 CO 0.04 -0.07 0.18 0.82 1.06 0.00 0.00 176.91 178.94 2bbm h ILE 125 N -0.90 0.79 -0.02 -1.22 2.04 -0.39 -1.54 117.51 116.27 2bbm h ILE 125 Ca -0.04 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2bbm h ILE 125 Cb 0.52 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2bbm h ILE 125 CO 0.07 0.06 -0.10 -0.09 0.00 0.00 0.00 178.15 178.10 2bbm h ARG 126 N 0.35 -0.10 -0.94 2.37 2.43 -1.18 -1.19 114.38 116.12 2bbm h ARG 126 Ca 0.27 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.69 2bbm h ARG 126 Cb 0.32 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.76 2bbm h ARG 126 CO -0.28 -0.07 0.45 1.49 -1.51 0.00 0.00 179.97 180.05 2bbm h GLU 127 N -0.11 0.40 -0.45 0.20 4.81 -1.28 0.83 114.58 119.00 2bbm h GLU 127 Ca 0.01 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2bbm h GLU 127 Cb 0.12 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2bbm h GLU 127 CO -0.08 0.27 0.31 0.00 -0.73 0.00 0.00 179.01 178.78 2bbm h ALA 128 N 1.74 2.17 -2.30 2.92 0.00 -0.21 -3.38 119.26 120.20 2bbm h ALA 128 Ca 0.60 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.90 2bbm h ALA 128 Cb 1.19 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2bbm h ALA 128 CO -0.54 -0.27 0.35 0.34 0.00 0.00 0.00 179.25 179.13 2bbm s ASP 129 N -6.41 6.66 -0.15 0.00 2.15 0.29 -4.91 116.67 114.30 2bbm s ASP 129 Ca -0.06 0.70 0.13 0.00 0.43 0.00 0.00 52.55 53.75 2bbm s ASP 129 Cb 0.19 -2.39 -0.24 0.00 -0.30 0.00 0.00 42.92 40.18 2bbm s ASP 129 CO 0.73 -0.55 0.26 -0.38 -0.17 0.00 0.00 175.17 175.05 2bbm n ILE 130 N 5.43 1.50 0.00 4.11 5.41 -1.26 -4.70 119.36 129.85 2bbm n ILE 130 Ca 0.03 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.99 2bbm n ILE 130 Cb 0.48 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2bbm n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2bbm n ASP 131 N -2.96 0.00 0.00 4.38 5.68 -1.26 -5.01 116.55 117.38 2bbm n ASP 131 Ca -0.29 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2bbm n ASP 131 Cb 1.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 2bbm n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bbm n GLY 132 N 1.44 0.00 0.12 6.12 0.00 -1.26 -5.06 105.19 106.56 2bbm n GLY 132 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2bbm n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bbm h ASP 133 N 0.00 0.29 0.00 1.61 3.32 -1.95 -3.48 116.42 116.21 2bbm h ASP 133 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.25 2bbm h ASP 133 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2bbm h ASP 133 CO 0.00 1.65 0.00 0.61 -1.72 0.00 0.00 179.24 179.78 2bbm n GLY 134 N 1.73 1.52 3.57 2.75 0.00 -1.26 -5.06 105.19 108.44 2bbm n GLY 134 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 2bbm n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbm s GLN 135 N -0.02 2.04 -0.08 1.61 -0.21 -1.26 -4.79 119.66 116.95 2bbm s GLN 135 Ca 0.00 -1.44 -0.17 0.00 0.02 0.00 0.00 55.36 53.78 2bbm s GLN 135 Cb 0.00 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 2bbm s GLN 135 CO 0.00 0.39 0.44 0.08 -2.12 0.00 0.00 175.29 174.08 2bbm s VAL 136 N -2.09 5.14 0.00 1.09 1.01 -1.22 -4.91 120.40 119.42 2bbm s VAL 136 Ca 0.28 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2bbm s VAL 136 Cb -0.07 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2bbm s VAL 136 CO 0.17 0.41 0.00 0.59 0.00 0.00 0.00 175.10 176.27 2bbm n ASN 137 N 3.06 0.96 0.02 3.32 4.13 -1.26 -1.92 115.26 123.57 2bbm n ASN 137 Ca -0.10 -0.98 -0.19 0.00 1.68 0.00 0.00 54.58 54.99 2bbm n ASN 137 Cb 0.52 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.67 2bbm n ASN 137 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2bbm h TYR 138 N 0.47 1.05 -0.02 3.10 5.03 -1.98 -2.12 116.97 122.49 2bbm h TYR 138 Ca 0.00 -0.53 -0.00 0.00 2.58 0.00 0.00 58.73 60.77 2bbm h TYR 138 Cb 0.00 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 2bbm h TYR 138 CO 0.00 1.37 0.01 0.93 -1.32 0.00 0.00 178.16 179.15 2bbm h GLU 139 N 0.44 0.03 -0.12 1.82 5.08 -1.99 -0.18 114.58 119.66 2bbm h GLU 139 Ca -0.10 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2bbm h GLU 139 Cb 1.61 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 2bbm h GLU 139 CO 0.19 0.10 -0.23 0.93 -1.00 0.00 0.00 179.01 179.00 2bbm h GLU 140 N -0.05 0.20 -0.29 2.33 5.08 -1.96 0.20 114.58 120.09 2bbm h GLU 140 Ca 0.01 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2bbm h GLU 140 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2bbm h GLU 140 CO -0.00 0.43 -0.39 0.35 -1.00 0.00 0.00 179.01 178.40 2bbm h PHE 141 N 0.19 0.80 0.10 4.33 3.04 -0.97 -1.82 116.94 122.61 2bbm h PHE 141 Ca 0.03 -0.23 -0.13 0.00 3.98 0.00 0.00 57.97 61.62 2bbm h PHE 141 Cb 0.52 -0.17 0.02 0.00 2.56 0.00 0.00 35.95 38.87 2bbm h PHE 141 CO 0.01 0.96 -0.57 0.28 -2.02 0.00 0.00 178.31 176.96 2bbm h VAL 142 N 0.56 1.60 0.00 1.41 2.07 -0.64 -2.71 116.25 118.54 2bbm h VAL 142 Ca 0.05 -2.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 2bbm h VAL 142 Cb 0.92 3.26 -0.00 0.00 -1.52 0.00 0.00 31.29 33.95 2bbm h VAL 142 CO 0.08 0.69 -0.01 0.74 0.02 0.00 0.00 177.57 179.09 2bbm h THR 143 N -0.56 0.38 0.10 2.57 2.02 -0.64 0.36 112.91 117.14 2bbm h THR 143 Ca -0.10 -0.04 -0.33 0.00 0.77 0.00 0.00 66.41 66.71 2bbm h THR 143 Cb 1.45 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2bbm h THR 143 CO 0.11 0.01 -1.79 -0.03 0.37 0.00 0.00 175.52 174.18 2bbm h MET 144 N 0.00 0.22 0.00 6.66 -1.53 -1.37 -3.38 114.93 115.52 2bbm h MET 144 Ca -0.00 -0.37 -0.07 0.00 -3.44 0.00 0.00 59.70 55.82 2bbm h MET 144 Cb 0.03 0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2bbm h MET 144 CO 0.00 1.18 -0.69 0.52 0.14 0.00 0.00 176.91 178.06 2bbm h MET 145 N -0.18 0.00 -5.82 0.39 2.07 -1.23 -3.43 114.93 106.73 2bbm h MET 145 Ca -0.40 0.00 -0.59 0.00 -2.07 0.00 0.00 59.70 56.65 2bbm h MET 145 Cb 1.87 0.00 -0.08 0.00 -1.87 0.00 0.00 31.60 31.52 2bbm h MET 145 CO 0.03 0.21 0.34 -0.08 1.07 0.00 0.00 176.91 178.48 2bbm s THR 146 N -3.12 4.90 -0.40 2.22 -1.32 0.12 -4.98 115.64 113.07 2bbm s THR 146 Ca 0.02 1.49 0.03 0.00 -1.21 0.00 0.00 61.69 62.03 2bbm s THR 146 Cb 0.08 -4.08 0.16 0.00 -1.51 0.00 0.00 72.50 67.15 2bbm s THR 146 CO 0.75 0.02 0.39 -0.55 -2.21 0.00 0.00 174.62 173.02 2bbm s SER 147 N 1.23 1.15 0.00 8.08 0.15 -1.26 -4.79 113.70 118.26 2bbm s SER 147 Ca 0.35 -2.16 0.00 0.00 0.70 0.00 0.00 55.95 54.83 2bbm s SER 147 Cb -0.16 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2bbm s SER 147 CO 0.10 -0.21 0.00 2.29 1.20 0.00 0.00 173.24 176.62