#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbn n ASP 2 N 0.00 0.00 -0.24 0.00 9.92 -1.26 -4.83 116.55 120.14 2bbn n ASP 2 Ca 0.00 -1.00 0.01 0.00 -0.53 0.00 0.00 54.79 53.27 2bbn n ASP 2 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 2bbn n ASP 2 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2bbn n GLN 3 N 0.00 1.24 -0.01 -1.24 7.27 -1.26 -3.13 117.38 120.25 2bbn n GLN 3 Ca 0.00 -0.32 0.09 0.00 0.07 0.00 0.00 57.00 56.84 2bbn n GLN 3 Cb 0.44 -1.15 -0.13 0.00 2.41 0.00 0.00 30.24 31.81 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2bbn n LEU 4 N -0.20 0.19 0.00 1.69 4.32 -1.26 -5.00 117.00 116.74 2bbn n LEU 4 Ca 0.03 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2bbn n LEU 4 Cb 0.12 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 2bbn n LEU 4 CO 0.02 0.05 0.00 1.07 -1.22 0.00 0.00 177.39 177.31 2bbn n THR 5 N -1.95 0.00 -0.61 -5.08 5.66 -1.19 -4.61 114.28 106.51 2bbn n THR 5 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2bbn n THR 5 Cb 0.42 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 2bbn n THR 5 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2bbn n GLU 6 N 0.00 -0.87 0.04 1.09 0.00 -1.26 -4.76 120.64 114.88 2bbn n GLU 6 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 57.16 57.32 2bbn n GLU 6 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 31.44 27.16 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2bbn h GLU 7 N 0.00 -0.19 0.48 5.31 5.08 -1.95 -2.67 114.58 120.64 2bbn h GLU 7 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2bbn h GLU 7 Cb 0.37 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2bbn h GLU 7 CO 0.00 -0.13 -0.23 1.96 -1.00 0.00 0.00 179.01 179.61 2bbn h GLN 8 N -0.89 -0.62 -0.73 2.33 4.20 -1.93 -2.34 115.11 115.14 2bbn h GLN 8 Ca -0.02 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.89 2bbn h GLN 8 Cb 0.15 0.14 -0.13 0.00 0.30 0.00 0.00 27.48 27.95 2bbn h GLN 8 CO 0.03 -0.41 -0.01 0.82 -0.67 0.00 0.00 178.83 178.60 2bbn h ILE 9 N -0.65 0.36 -0.80 2.54 2.04 -1.95 0.63 117.51 119.68 2bbn h ILE 9 Ca -0.07 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.87 2bbn h ILE 9 Cb 0.50 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2bbn h ILE 9 CO 0.11 0.02 0.52 0.00 0.00 0.00 0.00 178.15 178.80 2bbn h ALA 10 N 1.68 1.83 0.96 1.87 0.00 -1.13 -0.85 119.26 123.63 2bbn h ALA 10 Ca 0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2bbn h ALA 10 Cb 0.67 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2bbn h ALA 10 CO -0.64 -0.02 -0.46 1.49 0.00 0.00 0.00 179.25 179.62 2bbn h GLU 11 N 0.66 -1.24 -0.54 0.00 4.57 0.79 0.29 114.58 119.11 2bbn h GLU 11 Ca 0.38 0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.73 2bbn h GLU 11 Cb 0.56 0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 2bbn h GLU 11 CO -0.15 -0.83 0.36 0.74 -1.18 0.00 0.00 179.01 177.96 2bbn h PHE 12 N -1.32 0.41 -0.09 0.92 0.04 -1.10 -1.53 116.94 114.25 2bbn h PHE 12 Ca -0.13 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 2bbn h PHE 12 Cb 0.99 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 2bbn h PHE 12 CO 0.01 0.21 0.02 0.87 -0.60 0.00 0.00 178.31 178.81 2bbn h LYS 13 N 0.39 0.15 -0.81 1.51 1.57 -0.84 -2.75 116.57 115.80 2bbn h LYS 13 Ca 0.24 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.16 2bbn h LYS 13 Cb 0.45 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.63 2bbn h LYS 13 CO -0.06 0.34 0.31 1.49 -0.57 0.00 0.00 179.45 180.96 2bbn h GLU 14 N -0.06 0.39 0.35 3.15 4.81 0.09 -1.56 114.58 121.76 2bbn h GLU 14 Ca 0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2bbn h GLU 14 Cb 0.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2bbn h GLU 14 CO 0.00 0.26 -0.36 0.00 -0.73 0.00 0.00 179.01 178.18 2bbn h ALA 15 N 1.63 -1.03 0.00 2.92 0.00 -1.20 0.13 119.26 121.70 2bbn h ALA 15 Ca 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2bbn h ALA 15 Cb 0.81 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2bbn h ALA 15 CO -0.47 -1.06 0.43 0.74 0.00 0.00 0.00 179.25 178.89 2bbn h PHE 16 N -0.71 0.00 0.18 0.00 -1.00 -1.11 0.43 116.94 114.73 2bbn h PHE 16 Ca -0.04 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.46 2bbn h PHE 16 Cb 0.61 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.19 2bbn h PHE 16 CO -0.20 0.00 -1.27 0.77 -1.61 0.00 0.00 178.31 176.00 2bbn h SER 17 N 0.00 0.59 0.17 2.17 0.02 0.13 -3.22 113.55 113.40 2bbn h SER 17 Ca 0.00 -0.92 -0.28 0.00 -0.84 0.00 0.00 61.79 59.75 2bbn h SER 17 Cb 0.86 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.22 2bbn h SER 17 CO 0.00 1.59 -1.13 0.25 -1.14 0.00 0.00 176.83 176.40 2bbn h LEU 18 N -0.13 0.80 -0.61 5.07 5.85 0.13 -3.27 115.31 123.14 2bbn h LEU 18 Ca -0.24 -0.69 0.13 0.00 0.84 0.00 0.00 57.88 57.91 2bbn h LEU 18 Cb 1.90 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.58 2bbn h LEU 18 CO 0.18 1.50 0.02 0.15 -0.34 0.00 0.00 178.44 179.95 2bbn h PHE 19 N 0.29 -0.00 -3.37 1.25 3.04 -0.65 -3.39 116.94 114.10 2bbn h PHE 19 Ca -0.15 0.04 -0.55 0.00 3.98 0.00 0.00 57.97 61.29 2bbn h PHE 19 Cb 1.80 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 40.36 2bbn h PHE 19 CO 0.10 -0.15 0.08 -0.51 -2.02 0.00 0.00 178.31 175.81 2bbn s ASP 20 N -5.24 7.11 0.14 0.41 1.01 -1.22 -4.95 116.67 113.94 2bbn s ASP 20 Ca -0.13 1.33 0.23 0.00 0.71 0.00 0.00 52.55 54.69 2bbn s ASP 20 Cb 0.19 -2.42 0.17 0.00 1.01 0.00 0.00 42.92 41.86 2bbn s ASP 20 CO 0.74 0.07 1.17 0.11 0.21 0.00 0.00 175.17 177.47 2bbn h LYS 21 N 5.55 0.00 0.12 8.23 6.56 -1.84 -3.35 116.57 131.84 2bbn h LYS 21 Ca -0.45 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 58.81 2bbn h LYS 21 Cb 1.20 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.85 2bbn h LYS 21 CO 0.70 0.00 -1.74 0.38 -2.06 0.00 0.00 179.45 176.72 2bbn h ASP 22 N 0.00 0.38 0.00 0.86 3.04 -1.92 -3.49 116.42 115.30 2bbn h ASP 22 Ca 0.00 -0.67 0.00 0.00 -3.24 0.00 0.00 57.03 53.12 2bbn h ASP 22 Cb 0.84 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.01 2bbn h ASP 22 CO 0.00 1.58 0.00 0.61 -2.04 0.00 0.00 179.24 179.39 2bbn n GLY 23 N 1.79 1.78 0.11 7.15 0.00 -1.26 -5.01 105.19 109.75 2bbn n GLY 23 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2bbn n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bbn h ASP 24 N 0.00 0.00 -2.71 1.61 2.03 -1.89 -3.48 116.42 111.98 2bbn h ASP 24 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 2bbn h ASP 24 Cb 0.00 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.54 2bbn h ASP 24 CO 0.00 0.60 -0.29 0.61 -1.03 0.00 0.00 179.24 179.13 2bbn n GLY 25 N 1.34 0.20 3.44 7.15 0.00 -1.26 -5.03 105.19 111.03 2bbn n GLY 25 Ca -0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2bbn n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 26 N -2.97 -0.01 -0.53 2.61 -4.23 -1.26 -4.66 115.64 104.58 2bbn s THR 26 Ca 0.20 0.04 -0.27 0.00 -1.18 0.00 0.00 61.69 60.48 2bbn s THR 26 Cb -0.09 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 2bbn s THR 26 CO 0.24 0.02 1.82 -0.63 -0.54 0.00 0.00 174.62 175.53 2bbn s ILE 27 N 1.20 3.42 0.00 2.99 -1.09 -1.13 -4.85 121.20 121.74 2bbn s ILE 27 Ca -0.07 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2bbn s ILE 27 Cb -0.06 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2bbn s ILE 27 CO -0.12 -0.79 0.00 0.41 -1.23 0.00 0.00 174.94 173.21 2bbn n THR 28 N 7.25 0.00 0.00 2.92 -1.04 -1.26 -3.37 114.28 118.78 2bbn n THR 28 Ca 0.21 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.12 2bbn n THR 28 Cb 0.51 -0.46 -0.14 0.00 -1.82 0.00 0.00 70.33 68.42 2bbn n THR 28 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2bbn h THR 29 N 0.19 1.04 -0.27 12.58 1.35 -1.92 -2.88 112.91 123.01 2bbn h THR 29 Ca 0.00 -2.85 -0.15 0.00 -0.55 0.00 0.00 66.41 62.86 2bbn h THR 29 Cb 0.00 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2bbn h THR 29 CO 0.00 0.63 -0.46 0.50 -0.25 0.00 0.00 175.52 175.94 2bbn h LYS 30 N 0.01 0.70 0.00 4.72 3.64 -1.97 -0.43 116.57 123.23 2bbn h LYS 30 Ca -0.23 -0.39 -0.21 0.00 -1.27 0.00 0.00 60.65 58.55 2bbn h LYS 30 Cb 1.96 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.78 2bbn h LYS 30 CO 0.10 1.01 -1.07 0.93 -2.27 0.00 0.00 179.45 178.14 2bbn h GLU 31 N 0.56 0.00 -0.21 1.90 3.07 -1.92 -2.85 114.58 115.13 2bbn h GLU 31 Ca 0.03 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 2bbn h GLU 31 Cb 1.01 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2bbn h GLU 31 CO 0.10 0.82 -0.32 1.25 -1.40 0.00 0.00 179.01 179.45 2bbn h LEU 32 N 0.00 0.66 0.68 1.33 5.85 -1.44 -2.65 115.31 119.73 2bbn h LEU 32 Ca -0.06 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 2bbn h LEU 32 Cb 1.75 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.60 2bbn h LEU 32 CO 0.11 1.05 -0.32 1.23 -0.34 0.00 0.00 178.44 180.16 2bbn h GLY 33 N 0.28 -0.95 -0.60 3.75 0.00 -1.13 0.68 103.07 105.11 2bbn h GLY 33 Ca 0.02 0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.79 2bbn h GLY 33 CO 0.07 -0.34 -0.48 -0.91 0.00 0.00 0.00 176.54 174.88 2bbn h THR 34 N -0.93 0.05 0.16 4.70 1.35 -1.60 0.54 112.91 117.18 2bbn h THR 34 Ca -0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 2bbn h THR 34 Cb 0.70 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2bbn h THR 34 CO 0.15 0.00 -0.08 0.58 -0.25 0.00 0.00 175.52 175.93 2bbn h VAL 35 N -0.21 0.00 -1.41 6.82 2.07 -1.45 -2.65 116.25 119.43 2bbn h VAL 35 Ca 0.17 -0.06 0.45 0.00 0.82 0.00 0.00 66.70 68.07 2bbn h VAL 35 Cb 0.55 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 2bbn h VAL 35 CO -0.73 0.00 0.93 -0.03 0.02 0.00 0.00 177.57 177.76 2bbn h MET 36 N -0.27 0.07 -0.48 1.57 -1.53 0.51 1.42 114.93 116.21 2bbn h MET 36 Ca -0.02 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.20 2bbn h MET 36 Cb 0.16 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.18 2bbn h MET 36 CO 0.04 0.05 0.15 -0.09 0.14 0.00 0.00 176.91 177.20 2bbn h ARG 37 N 0.08 0.75 0.00 0.39 2.43 0.19 2.33 114.38 120.55 2bbn h ARG 37 Ca 0.82 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 2bbn h ARG 37 Cb 2.71 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 32.15 2bbn h ARG 37 CO -0.33 0.71 0.00 0.45 -1.51 0.00 0.00 179.97 179.29 2bbn n SER 38 N -4.51 0.49 -0.30 -3.80 2.88 0.47 -2.60 113.62 106.24 2bbn n SER 38 Ca 0.01 0.59 0.04 0.00 -1.33 0.00 0.00 58.87 58.18 2bbn n SER 38 Cb 0.19 -0.70 0.02 0.00 -0.75 0.00 0.00 64.21 62.97 2bbn n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2bbn n LEU 39 N -2.00 1.52 0.00 2.46 4.32 -0.10 -4.98 117.00 118.22 2bbn n LEU 39 Ca 0.04 -0.91 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 2bbn n LEU 39 Cb 0.29 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2bbn n LEU 39 CO 0.23 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.31 2bbn n GLY 40 N 0.64 -1.66 0.42 -0.72 0.00 0.78 -5.00 105.19 99.64 2bbn n GLY 40 Ca 0.05 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2bbn n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bbn n GLN 41 N -0.39 0.03 -3.47 1.61 1.13 -0.82 -4.85 117.38 110.62 2bbn n GLN 41 Ca 0.00 -0.10 -0.27 0.00 -1.94 0.00 0.00 57.00 54.69 2bbn n GLN 41 Cb 0.00 0.15 -0.10 0.00 0.11 0.00 0.00 30.24 30.40 2bbn n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2bbn n ASN 42 N -0.34 0.32 0.00 1.08 5.15 -1.26 -3.42 115.26 116.79 2bbn n ASN 42 Ca 0.00 -2.58 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 2bbn n ASN 42 Cb 0.06 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 2bbn n ASN 42 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2bbn n PRO 43 N 2.51 0.00 -2.98 1.20 -0.02 -1.26 -4.99 135.00 129.46 2bbn n PRO 43 Ca 0.27 0.26 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 2bbn n PRO 43 Cb 0.46 -1.22 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 2bbn n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2bbn n THR 44 N -1.29 0.00 -0.08 3.45 -2.24 -1.26 -5.10 114.28 107.76 2bbn n THR 44 Ca 0.00 -1.09 -0.13 0.00 -2.27 0.00 0.00 64.05 60.57 2bbn n THR 44 Cb 0.00 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 2bbn n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 45 N -0.30 0.45 -0.36 -0.78 1.02 -1.26 -4.33 120.64 115.08 2bbn n GLU 45 Ca 0.03 0.18 0.27 0.00 -0.02 0.00 0.00 57.16 57.62 2bbn n GLU 45 Cb 0.29 -1.27 0.53 0.00 -0.02 0.00 0.00 31.44 30.96 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bbn h ALA 46 N -0.82 2.22 -0.89 0.62 0.00 -1.98 0.89 119.26 119.30 2bbn h ALA 46 Ca -0.18 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bbn h ALA 46 Cb 1.03 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2bbn h ALA 46 CO -0.11 -0.78 0.55 1.49 0.00 0.00 0.00 179.25 180.40 2bbn h GLU 47 N 0.29 1.19 -0.10 0.00 4.81 -2.00 -1.70 114.58 117.07 2bbn h GLU 47 Ca 0.72 -0.10 -0.23 0.00 -0.13 0.00 0.00 59.36 59.62 2bbn h GLU 47 Cb 1.85 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 30.98 2bbn h GLU 47 CO -0.47 0.82 -0.85 -0.07 -0.73 0.00 0.00 179.01 177.71 2bbn h LEU 48 N 1.22 0.87 -2.04 1.64 3.38 0.56 -2.53 115.31 118.41 2bbn h LEU 48 Ca 0.32 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2bbn h LEU 48 Cb -0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 2bbn h LEU 48 CO -0.06 1.40 -0.09 -0.61 0.09 0.00 0.00 178.44 179.17 2bbn h GLN 49 N 0.47 0.00 0.00 1.13 4.15 -0.78 -1.87 115.11 118.21 2bbn h GLN 49 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2bbn h GLN 49 Cb 1.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.17 2bbn h GLN 49 CO 0.17 0.09 -0.06 0.22 -1.93 0.00 0.00 178.83 177.32 2bbn h ASP 50 N 0.00 0.00 -0.32 -0.69 1.82 -1.24 -2.46 116.42 113.53 2bbn h ASP 50 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.73 2bbn h ASP 50 Cb 0.24 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2bbn h ASP 50 CO 0.01 0.19 0.80 0.00 -1.61 0.00 0.00 179.24 178.63 2bbn h MET 51 N -0.33 0.00 0.00 0.28 -0.00 -1.49 0.11 114.93 113.50 2bbn h MET 51 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.66 2bbn h MET 51 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.65 2bbn h MET 51 CO 0.00 0.00 -0.30 0.82 -0.00 0.00 0.00 176.91 177.43 2bbn h ILE 52 N 0.00 0.61 0.00 -0.10 2.04 -1.43 -3.28 117.51 115.35 2bbn h ILE 52 Ca 0.15 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2bbn h ILE 52 Cb 1.75 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2bbn h ILE 52 CO -0.00 0.21 0.13 0.59 0.00 0.00 0.00 178.15 179.08 2bbn n ASN 53 N -4.65 0.00 0.00 1.72 4.13 0.30 -1.39 115.26 115.37 2bbn n ASN 53 Ca -0.09 0.36 0.02 0.00 1.68 0.00 0.00 54.58 56.55 2bbn n ASN 53 Cb 0.29 -0.36 0.12 0.00 -1.54 0.00 0.00 39.78 38.29 2bbn n ASN 53 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2bbn n GLU 54 N -1.35 0.45 0.00 3.52 2.13 -0.73 -3.49 120.64 121.17 2bbn n GLU 54 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2bbn n GLU 54 Cb 0.13 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 30.71 2bbn n GLU 54 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2bbn n VAL 55 N -0.64 0.00 -1.56 6.31 0.24 -0.49 -5.09 118.33 117.10 2bbn n VAL 55 Ca 0.03 0.00 -0.52 0.00 -2.04 0.00 0.00 64.34 61.81 2bbn n VAL 55 Cb 0.01 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.33 2bbn n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2bbn n ASP 56 N -0.90 1.16 0.10 -1.34 8.00 -1.23 -4.89 116.55 117.46 2bbn n ASP 56 Ca 0.00 1.13 -0.09 0.00 0.71 0.00 0.00 54.79 56.55 2bbn n ASP 56 Cb 0.00 -1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 39.90 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bbn h ALA 57 N 3.74 -0.34 0.01 2.24 0.00 -1.91 -3.34 119.26 119.66 2bbn h ALA 57 Ca -0.46 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 2bbn h ALA 57 Cb 1.36 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2bbn h ALA 57 CO 0.72 -0.36 -0.91 0.38 0.00 0.00 0.00 179.25 179.09 2bbn h ASP 58 N -1.00 0.26 0.00 0.00 3.04 -1.96 -3.48 116.42 113.28 2bbn h ASP 58 Ca -0.03 -0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 2bbn h ASP 58 Cb 0.44 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 2bbn h ASP 58 CO 0.06 1.04 0.00 0.61 -2.04 0.00 0.00 179.24 178.91 2bbn n GLY 59 N 0.95 1.56 0.21 7.15 0.00 -1.25 -4.99 105.19 108.81 2bbn n GLY 59 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2bbn n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 60 N 0.00 0.00 0.00 1.61 -1.07 -1.92 -3.47 115.58 110.73 2bbn h ASN 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bbn h ASN 60 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2bbn h ASN 60 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2bbn n GLY 61 N 1.12 0.60 3.14 9.14 0.00 -1.26 -5.05 105.19 112.88 2bbn n GLY 61 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2bbn n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbn s THR 62 N -2.30 0.13 0.15 2.61 -4.23 -1.26 -4.53 115.64 106.21 2bbn s THR 62 Ca 0.00 -1.09 0.11 0.00 -1.18 0.00 0.00 61.69 59.53 2bbn s THR 62 Cb 0.00 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 2bbn s THR 62 CO 0.00 -0.60 -0.24 0.27 -0.54 0.00 0.00 174.62 173.50 2bbn s ILE 63 N -2.80 2.39 0.00 2.99 -4.36 -1.22 -4.92 121.20 113.28 2bbn s ILE 63 Ca -0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 2bbn s ILE 63 Cb -0.00 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.61 2bbn s ILE 63 CO -0.05 0.02 0.00 0.47 0.24 0.00 0.00 174.94 175.61 2bbn n ASP 64 N 0.65 1.07 -0.10 4.36 9.92 -1.26 -2.85 116.55 128.34 2bbn n ASP 64 Ca -0.16 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.97 2bbn n ASP 64 Cb 0.54 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.99 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2bbn h PHE 65 N 0.00 1.11 -0.70 1.24 0.04 -1.97 -1.66 116.94 115.00 2bbn h PHE 65 Ca 0.00 -0.36 -0.06 0.00 2.80 0.00 0.00 57.97 60.35 2bbn h PHE 65 Cb 0.00 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 2bbn h PHE 65 CO 0.00 1.19 0.20 -1.35 -0.60 0.00 0.00 178.31 177.74 2bbn h PRO 66 N 0.73 1.11 0.00 1.51 0.11 -1.98 0.13 132.00 133.60 2bbn h PRO 66 Ca 0.04 -0.25 -0.14 0.00 0.11 0.00 0.00 66.00 65.76 2bbn h PRO 66 Cb 1.05 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2bbn h PRO 66 CO 0.11 0.96 -0.67 0.93 -0.21 0.00 0.00 178.00 179.12 2bbn h GLU 67 N 1.05 0.00 0.00 1.05 5.08 -1.95 -2.21 114.58 117.59 2bbn h GLU 67 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2bbn h GLU 67 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2bbn h GLU 67 CO -0.00 0.67 -0.00 0.35 -1.00 0.00 0.00 179.01 179.03 2bbn h PHE 68 N 0.00 -0.00 0.00 4.33 3.57 -0.77 0.56 116.94 124.63 2bbn h PHE 68 Ca -0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2bbn h PHE 68 Cb 1.26 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 2bbn h PHE 68 CO 0.00 0.62 -0.15 1.25 -2.23 0.00 0.00 178.31 177.80 2bbn h LEU 69 N -0.63 0.00 0.18 0.59 5.85 -0.81 -2.22 115.31 118.27 2bbn h LEU 69 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 2bbn h LEU 69 Cb 0.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.67 2bbn h LEU 69 CO 0.00 0.15 -1.48 0.74 -0.34 0.00 0.00 178.44 177.51 2bbn h THR 70 N 0.00 1.25 -0.54 1.05 2.02 -1.34 -2.39 112.91 112.96 2bbn h THR 70 Ca -0.00 -2.79 0.12 0.00 0.77 0.00 0.00 66.41 64.51 2bbn h THR 70 Cb 0.26 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 2bbn h THR 70 CO 0.02 0.84 0.37 -0.03 0.37 0.00 0.00 175.52 177.09 2bbn h MET 71 N 0.10 0.21 0.11 6.66 1.85 0.73 1.45 114.93 126.04 2bbn h MET 71 Ca -0.24 -0.01 -0.33 0.00 -0.61 0.00 0.00 59.70 58.51 2bbn h MET 71 Cb 2.07 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 34.04 2bbn h MET 71 CO 0.21 0.14 -1.74 0.52 -0.40 0.00 0.00 176.91 175.64 2bbn h MET 72 N 0.21 0.23 -0.24 0.39 2.07 -1.51 -3.32 114.93 112.77 2bbn h MET 72 Ca 0.26 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 2bbn h MET 72 Cb 0.73 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.60 2bbn h MET 72 CO -0.05 1.06 0.00 0.00 1.07 0.00 0.00 176.91 179.00 2bbn n ALA 73 N -2.78 2.49 0.00 6.32 0.00 -0.59 -4.07 120.51 121.89 2bbn n ALA 73 Ca -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2bbn n ALA 73 Cb 1.05 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2bbn n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2bbn n ARG 74 N 0.39 0.00 -3.65 0.00 0.63 0.49 -4.56 116.66 109.96 2bbn n ARG 74 Ca 0.14 0.23 -0.02 0.00 -0.92 0.00 0.00 57.85 57.29 2bbn n ARG 74 Cb 0.31 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.65 2bbn n ARG 74 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2bbn s LYS 75 N -2.46 0.09 -0.80 -0.14 2.36 -1.26 -5.08 119.74 112.45 2bbn s LYS 75 Ca 0.00 0.12 -0.31 0.00 -2.55 0.00 0.00 55.97 53.23 2bbn s LYS 75 Cb 0.00 0.04 -0.17 0.00 -1.05 0.00 0.00 37.83 36.64 2bbn s LYS 75 CO 0.00 -0.01 2.56 -1.33 1.55 0.00 0.00 175.35 178.12 2bbn n MET 76 N 2.09 0.34 -1.94 4.03 2.81 -1.26 -4.81 117.12 118.38 2bbn n MET 76 Ca -0.13 0.02 -0.42 0.00 -1.81 0.00 0.00 57.70 55.36 2bbn n MET 76 Cb 0.57 -2.07 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 2bbn n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2bbn s LYS 77 N 8.47 4.21 -0.11 0.03 2.20 -1.26 -4.98 119.74 128.30 2bbn s LYS 77 Ca 1.24 2.34 -0.10 0.00 -0.36 0.00 0.00 55.97 59.08 2bbn s LYS 77 Cb -0.96 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 31.89 2bbn s LYS 77 CO 0.44 -0.68 0.22 -0.51 -0.36 0.00 0.00 175.35 174.46 2bbn s ASP 78 N 1.89 6.46 0.00 1.43 1.11 -1.26 -4.95 116.67 121.35 2bbn s ASP 78 Ca 0.72 0.55 0.10 0.00 0.18 0.00 0.00 52.55 54.10 2bbn s ASP 78 Cb -0.41 -2.13 0.57 0.00 1.07 0.00 0.00 42.92 42.02 2bbn s ASP 78 CO 0.32 0.31 1.16 0.35 1.18 0.00 0.00 175.17 178.49 2bbn n THR 79 N 2.40 0.44 1.00 -1.27 -2.24 -1.26 -2.29 114.28 111.06 2bbn n THR 79 Ca -0.17 0.11 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 2bbn n THR 79 Cb 0.54 -0.94 0.49 0.00 -2.10 0.00 0.00 70.33 68.31 2bbn n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bbn n ASP 80 N -1.17 0.00 -3.62 3.42 -0.08 -1.26 -3.79 116.55 110.06 2bbn n ASP 80 Ca 0.06 -0.37 -0.29 0.00 -1.51 0.00 0.00 54.79 52.68 2bbn n ASP 80 Cb 0.06 -0.09 -0.08 0.00 2.34 0.00 0.00 41.12 43.35 2bbn n ASP 80 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2bbn n SER 81 N -1.09 3.84 -0.35 1.67 7.64 -0.97 -4.83 113.62 119.53 2bbn n SER 81 Ca 0.12 -3.38 0.12 0.00 1.01 0.00 0.00 58.87 56.74 2bbn n SER 81 Cb 0.08 -0.76 0.53 0.00 -1.01 0.00 0.00 64.21 63.06 2bbn n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bbn n GLU 82 N 1.22 1.47 -0.08 1.43 1.02 -1.25 -3.96 120.64 120.50 2bbn n GLU 82 Ca 0.27 -0.70 0.08 0.00 -0.02 0.00 0.00 57.16 56.80 2bbn n GLU 82 Cb 0.39 -1.42 0.45 0.00 -0.02 0.00 0.00 31.44 30.84 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 83 N 1.53 0.50 0.00 3.49 5.08 -1.93 -0.80 114.58 122.45 2bbn h GLU 83 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2bbn h GLU 83 Cb 0.33 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2bbn h GLU 83 CO 0.00 0.33 0.00 -1.91 -1.00 0.00 0.00 179.01 176.43 2bbn n GLU 84 N -4.47 0.00 -0.41 2.33 2.13 -1.25 -2.47 120.64 116.48 2bbn n GLU 84 Ca 0.08 0.50 0.34 0.00 0.66 0.00 0.00 57.16 58.73 2bbn n GLU 84 Cb 0.25 -1.29 0.63 0.00 0.27 0.00 0.00 31.44 31.30 2bbn n GLU 84 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2bbn h ILE 85 N 0.00 0.26 0.62 6.31 2.04 -1.81 -0.60 117.51 124.34 2bbn h ILE 85 Ca 0.00 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2bbn h ILE 85 Cb 0.00 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2bbn h ILE 85 CO 0.00 0.03 -0.37 -0.09 0.00 0.00 0.00 178.15 177.72 2bbn h ARG 86 N 0.16 -0.90 -0.94 2.37 2.43 -1.12 -1.97 114.38 114.41 2bbn h ARG 86 Ca 0.73 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 60.22 2bbn h ARG 86 Cb 2.32 0.20 -0.13 0.00 -0.42 0.00 0.00 29.97 31.94 2bbn h ARG 86 CO -0.30 -0.60 0.44 1.49 -1.51 0.00 0.00 179.97 179.49 2bbn h GLU 87 N -0.93 0.36 -0.49 0.20 4.57 -0.79 0.44 114.58 117.93 2bbn h GLU 87 Ca -0.08 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2bbn h GLU 87 Cb 0.74 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 2bbn h GLU 87 CO 0.09 0.24 0.22 0.00 -1.18 0.00 0.00 179.01 178.38 2bbn h ALA 88 N 1.76 0.62 -0.66 2.92 0.00 -1.11 -1.09 119.26 121.70 2bbn h ALA 88 Ca 0.62 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.62 2bbn h ALA 88 Cb 1.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2bbn h ALA 88 CO -0.57 -0.15 0.37 0.35 0.00 0.00 0.00 179.25 179.25 2bbn h PHE 89 N 0.43 0.67 -0.89 0.00 3.04 0.59 -1.30 116.94 119.49 2bbn h PHE 89 Ca 0.23 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.29 2bbn h PHE 89 Cb 0.18 -0.21 -0.07 0.00 2.56 0.00 0.00 35.95 38.42 2bbn h PHE 89 CO -0.13 0.32 0.54 -0.09 -2.02 0.00 0.00 178.31 176.93 2bbn h ARG 90 N 0.68 0.89 -0.48 1.11 2.43 -0.43 -0.04 114.38 118.55 2bbn h ARG 90 Ca 0.30 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2bbn h ARG 90 Cb 0.19 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2bbn h ARG 90 CO -0.18 0.59 0.21 0.28 -1.51 0.00 0.00 179.97 179.36 2bbn h VAL 91 N 0.92 1.20 -0.48 0.20 2.07 -0.45 -2.91 116.25 116.81 2bbn h VAL 91 Ca 0.42 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2bbn h VAL 91 Cb 0.32 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2bbn h VAL 91 CO -0.22 0.23 0.11 -0.26 0.02 0.00 0.00 177.57 177.45 2bbn h PHE 92 N 0.63 0.80 -2.64 1.57 -1.00 -0.74 -3.34 116.94 112.22 2bbn h PHE 92 Ca 0.16 -0.10 -0.71 0.00 2.81 0.00 0.00 57.97 60.13 2bbn h PHE 92 Cb 0.16 -0.23 -0.19 0.00 3.61 0.00 0.00 35.95 39.30 2bbn h PHE 92 CO -0.00 0.73 0.75 0.34 -1.61 0.00 0.00 178.31 178.51 2bbn s ASP 93 N -6.11 6.70 0.53 2.17 -1.08 -0.11 -4.69 116.67 114.07 2bbn s ASP 93 Ca -0.13 -2.25 0.23 0.00 -0.52 0.00 0.00 52.55 49.88 2bbn s ASP 93 Cb 0.11 -2.36 1.39 0.00 -1.46 0.00 0.00 42.92 40.59 2bbn s ASP 93 CO 0.79 -0.94 2.05 0.50 0.52 0.00 0.00 175.17 178.08 2bbn h LYS 94 N 8.49 0.00 0.00 4.34 1.63 -1.70 -3.10 116.57 126.23 2bbn h LYS 94 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2bbn h LYS 94 Cb 1.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 2bbn h LYS 94 CO 1.06 0.00 0.00 -3.47 -3.45 0.00 0.00 179.45 173.59 2bbn n ASP 95 N -4.36 0.00 0.00 4.20 -0.08 -1.26 -4.97 116.55 110.08 2bbn n ASP 95 Ca 0.05 0.76 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 2bbn n ASP 95 Cb 0.43 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.60 2bbn n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bbn n GLY 96 N -0.60 -0.07 0.05 0.27 0.00 -1.17 -5.04 105.19 98.63 2bbn n GLY 96 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2bbn n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2bbn h ASN 97 N 0.00 0.00 0.00 1.61 -1.07 -1.93 -3.49 115.58 110.69 2bbn h ASN 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bbn h ASN 97 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2bbn h ASN 97 CO 0.00 0.57 0.00 0.61 0.07 0.00 0.00 177.43 178.68 2bbn n GLY 98 N 1.69 -0.72 3.53 9.14 0.00 -1.26 -5.10 105.19 112.48 2bbn n GLY 98 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2bbn n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bbn s PHE 99 N -0.01 3.07 0.11 1.61 0.40 -1.26 -4.30 117.98 117.59 2bbn s PHE 99 Ca 0.00 0.06 -0.29 0.00 -0.60 0.00 0.00 56.93 56.10 2bbn s PHE 99 Cb 0.00 -3.37 -0.06 0.00 0.51 0.00 0.00 43.02 40.10 2bbn s PHE 99 CO 0.00 -0.85 0.94 0.42 0.70 0.00 0.00 175.22 176.43 2bbn s ILE 100 N 2.89 4.51 0.22 0.64 1.01 -0.81 -4.89 121.20 124.76 2bbn s ILE 100 Ca 0.24 2.02 0.07 0.00 0.00 0.00 0.00 60.65 62.99 2bbn s ILE 100 Cb -0.14 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 2bbn s ILE 100 CO 0.19 0.33 -0.12 -0.55 0.00 0.00 0.00 174.94 174.79 2bbn s SER 101 N -0.07 2.58 0.62 3.58 0.15 -1.26 -3.38 113.70 115.93 2bbn s SER 101 Ca 0.46 -1.06 0.32 0.00 0.70 0.00 0.00 55.95 56.36 2bbn s SER 101 Cb -0.23 -0.14 1.78 0.00 -1.71 0.00 0.00 66.02 65.72 2bbn s SER 101 CO 0.29 -0.22 2.09 0.00 1.20 0.00 0.00 173.24 176.60 2bbn h ALA 102 N 2.50 1.57 0.00 5.45 0.00 -1.96 -2.17 119.26 124.65 2bbn h ALA 102 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bbn h ALA 102 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bbn h ALA 102 CO 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 2bbn h ALA 103 N 1.67 0.00 -0.56 0.00 0.00 -1.98 -2.66 119.26 115.74 2bbn h ALA 103 Ca 0.06 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2bbn h ALA 103 Cb 0.50 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2bbn h ALA 103 CO -0.00 0.01 -0.22 0.93 0.00 0.00 0.00 179.25 179.97 2bbn h GLU 104 N -0.36 -0.08 0.55 0.00 5.08 -1.94 -1.82 114.58 116.01 2bbn h GLU 104 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bbn h GLU 104 Cb 0.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2bbn h GLU 104 CO 0.00 -0.06 -0.32 1.25 -1.00 0.00 0.00 179.01 178.89 2bbn h LEU 105 N -0.09 -0.78 -1.69 1.33 6.46 -1.57 -1.82 115.31 117.16 2bbn h LEU 105 Ca 0.26 0.04 0.42 0.00 -0.12 0.00 0.00 57.88 58.48 2bbn h LEU 105 Cb 0.49 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.55 2bbn h LEU 105 CO -0.61 -0.51 0.97 -0.09 -0.62 0.00 0.00 178.44 177.58 2bbn h ARG 106 N -0.81 0.08 -0.18 1.25 2.43 -0.98 0.86 114.38 117.04 2bbn h ARG 106 Ca -0.07 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 2bbn h ARG 106 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2bbn h ARG 106 CO 0.08 0.06 -0.50 1.25 -1.51 0.00 0.00 179.97 179.34 2bbn h HIS 107 N 0.09 0.85 0.38 2.20 2.76 -0.56 -2.60 115.15 118.26 2bbn h HIS 107 Ca 0.76 -0.34 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 2bbn h HIS 107 Cb 2.64 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 31.46 2bbn h HIS 107 CO -0.00 1.12 -0.18 0.28 -1.30 0.00 0.00 177.93 177.84 2bbn h VAL 108 N 0.33 0.00 -0.91 5.26 2.07 0.11 -2.34 116.25 120.78 2bbn h VAL 108 Ca -0.01 -0.36 0.26 0.00 0.82 0.00 0.00 66.70 67.40 2bbn h VAL 108 Cb 1.12 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.75 2bbn h VAL 108 CO 0.11 0.00 0.30 -0.03 0.02 0.00 0.00 177.57 177.97 2bbn h MET 109 N -0.87 0.21 -0.84 1.57 -1.53 -1.16 0.58 114.93 112.90 2bbn h MET 109 Ca -0.05 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.16 2bbn h MET 109 Cb 0.39 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.36 2bbn h MET 109 CO 0.09 0.14 0.40 1.79 0.14 0.00 0.00 176.91 179.47 2bbn h THR 110 N 0.22 1.26 0.00 -0.77 1.35 -1.49 -0.60 112.91 112.88 2bbn h THR 110 Ca 0.59 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2bbn h THR 110 Cb 1.24 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2bbn h THR 110 CO -0.66 0.31 0.00 0.59 -0.25 0.00 0.00 175.52 175.51 2bbn n ASN 111 N -4.30 0.00 -0.78 5.36 3.02 0.20 -0.43 115.26 118.32 2bbn n ASN 111 Ca 0.08 -0.82 0.07 0.00 -0.03 0.00 0.00 54.58 53.88 2bbn n ASN 111 Cb 0.14 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.51 2bbn n ASN 111 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2bbn n LEU 112 N -0.84 3.32 0.00 3.41 7.94 -0.23 -4.88 117.00 125.72 2bbn n LEU 112 Ca 0.10 -2.29 0.00 0.00 -1.11 0.00 0.00 56.01 52.71 2bbn n LEU 112 Cb 0.05 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.66 2bbn n LEU 112 CO 0.08 0.73 0.00 0.61 -1.11 0.00 0.00 177.39 177.70 2bbn n GLY 113 N 0.32 2.13 2.83 -3.96 0.00 -0.93 -4.99 105.19 100.60 2bbn n GLY 113 Ca 0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2bbn n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bbn n GLU 114 N 0.00 -1.71 -2.58 1.61 0.00 0.42 -4.97 120.64 113.41 2bbn n GLU 114 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 57.16 57.76 2bbn n GLU 114 Cb 0.00 -4.81 0.04 0.00 0.00 0.00 0.00 31.44 26.67 2bbn n GLU 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2bbn n LYS 115 N -2.81 2.28 -3.51 5.31 3.00 -1.26 -5.08 118.16 116.08 2bbn n LYS 115 Ca -0.05 -3.69 -0.02 0.00 -0.00 0.00 0.00 58.31 54.54 2bbn n LYS 115 Cb 0.59 -1.80 0.02 0.00 0.00 0.00 0.00 35.03 33.84 2bbn n LYS 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2bbn n LEU 116 N -0.63 0.00 0.00 3.14 -0.00 -1.26 -5.16 117.00 113.09 2bbn n LEU 116 Ca 0.18 -1.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.07 2bbn n LEU 116 Cb 0.85 2.27 0.00 0.00 -0.00 0.00 0.00 43.42 46.54 2bbn n LEU 116 CO 0.17 -0.37 0.00 0.35 -0.00 0.00 0.00 177.39 177.53 2bbn n THR 117 N -0.64 0.00 -0.02 1.47 -2.24 -1.26 -5.02 114.28 106.58 2bbn n THR 117 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2bbn n THR 117 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2bbn n THR 117 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bbn n ASP 118 N 0.00 0.02 -0.01 3.42 5.75 -1.26 -4.81 116.55 119.66 2bbn n ASP 118 Ca 0.00 -0.25 -0.13 0.00 -0.01 0.00 0.00 54.79 54.41 2bbn n ASP 118 Cb 0.00 0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2bbn h GLU 119 N 0.00 0.03 0.24 0.11 5.08 -1.99 -1.49 114.58 116.57 2bbn h GLU 119 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bbn h GLU 119 Cb 0.01 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2bbn h GLU 119 CO 0.00 0.44 -0.47 0.93 -1.00 0.00 0.00 179.01 178.90 2bbn h GLU 120 N -0.37 -0.74 -0.38 2.33 4.39 -1.99 -2.06 114.58 115.75 2bbn h GLU 120 Ca 0.00 0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.83 2bbn h GLU 120 Cb 0.43 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.17 2bbn h GLU 120 CO 0.00 -0.50 -0.10 0.28 -1.16 0.00 0.00 179.01 177.54 2bbn h VAL 121 N -0.77 0.62 -0.40 3.13 2.07 -1.87 -2.13 116.25 116.89 2bbn h VAL 121 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2bbn h VAL 121 Cb 0.73 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2bbn h VAL 121 CO -0.18 0.00 -0.34 -0.78 0.02 0.00 0.00 177.57 176.29 2bbn h ASP 122 N -0.00 -1.19 -0.77 0.57 3.58 -0.78 0.31 116.42 118.14 2bbn h ASP 122 Ca 0.18 0.17 0.15 0.00 0.42 0.00 0.00 57.03 57.95 2bbn h ASP 122 Cb 0.28 0.51 -0.10 0.00 1.72 0.00 0.00 39.33 41.74 2bbn h ASP 122 CO -0.39 -0.19 0.30 -0.33 -2.88 0.00 0.00 179.24 175.75 2bbn h GLU 123 N -0.13 0.42 0.66 0.28 4.39 -1.07 0.19 114.58 119.32 2bbn h GLU 123 Ca 0.07 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2bbn h GLU 123 Cb 0.30 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2bbn h GLU 123 CO -0.45 0.28 -0.34 0.52 -1.16 0.00 0.00 179.01 177.85 2bbn h MET 124 N 0.43 -0.89 0.50 2.33 2.86 -0.23 -1.27 114.93 118.65 2bbn h MET 124 Ca 0.43 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.12 2bbn h MET 124 Cb 0.68 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2bbn h MET 124 CO -0.42 -0.59 -0.44 0.82 1.06 0.00 0.00 176.91 177.33 2bbn h ILE 125 N -0.92 0.12 -0.71 -1.22 2.04 0.13 -0.35 117.51 116.59 2bbn h ILE 125 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.86 2bbn h ILE 125 Cb 0.72 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 2bbn h ILE 125 CO 0.13 0.00 -0.51 0.03 0.00 0.00 0.00 178.15 177.80 2bbn h ARG 126 N -0.94 -0.17 0.06 2.37 -0.00 -0.97 0.26 114.38 114.99 2bbn h ARG 126 Ca -0.05 0.01 0.03 0.00 -0.50 0.00 0.00 59.98 59.46 2bbn h ARG 126 Cb 0.81 0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.77 2bbn h ARG 126 CO -0.03 -0.11 -0.37 1.49 0.00 0.00 0.00 179.97 180.94 2bbn h GLU 127 N -0.18 -0.54 -0.76 0.04 4.81 -1.01 -1.66 114.58 115.29 2bbn h GLU 127 Ca 0.17 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.60 2bbn h GLU 127 Cb 0.53 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.92 2bbn h GLU 127 CO -0.78 -0.36 0.19 0.00 -0.73 0.00 0.00 179.01 177.33 2bbn h ALA 128 N 0.03 1.00 -2.12 2.92 0.00 0.44 -3.37 119.26 118.16 2bbn h ALA 128 Ca 0.04 0.17 -0.56 0.00 0.00 0.00 0.00 54.91 54.56 2bbn h ALA 128 Cb 0.62 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2bbn h ALA 128 CO -0.26 -0.35 1.26 0.34 0.00 0.00 0.00 179.25 180.24 2bbn s ASP 129 N -5.23 6.15 -0.23 0.00 2.15 0.77 -4.85 116.67 115.43 2bbn s ASP 129 Ca -0.13 2.01 -0.15 0.00 0.43 0.00 0.00 52.55 54.71 2bbn s ASP 129 Cb 0.22 -2.53 -0.17 0.00 -0.30 0.00 0.00 42.92 40.15 2bbn s ASP 129 CO 0.76 -1.39 -0.04 -0.38 -0.17 0.00 0.00 175.17 173.96 2bbn n ILE 130 N 6.51 1.55 -1.74 4.11 5.41 -1.26 -4.91 119.36 129.03 2bbn n ILE 130 Ca 0.22 -0.27 -0.29 0.00 1.00 0.00 0.00 62.75 63.41 2bbn n ILE 130 Cb 0.44 -1.90 0.16 0.00 -0.71 0.00 0.00 39.64 37.63 2bbn n ILE 130 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2bbn s ASP 131 N -7.11 3.18 -0.66 4.38 -4.77 -1.26 -4.94 116.67 105.49 2bbn s ASP 131 Ca -0.33 0.55 -0.27 0.00 -3.30 0.00 0.00 52.55 49.20 2bbn s ASP 131 Cb 0.10 -0.81 0.02 0.00 -1.09 0.00 0.00 42.92 41.14 2bbn s ASP 131 CO 0.57 -2.72 1.38 -0.83 0.70 0.00 0.00 175.17 174.27 2bbn s GLY 132 N -4.54 0.82 0.42 2.12 0.00 -1.26 -4.39 107.32 100.50 2bbn s GLY 132 Ca 0.69 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2bbn s GLY 132 CO 0.53 2.77 0.00 1.34 0.00 0.00 0.00 173.10 177.74 2bbn n ASP 133 N 9.76 -3.78 0.00 1.64 -0.08 -1.26 -5.03 116.55 117.80 2bbn n ASP 133 Ca 0.08 0.88 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 2bbn n ASP 133 Cb 0.49 3.56 0.00 0.00 2.34 0.00 0.00 41.12 47.52 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bbn n GLY 134 N -1.43 3.06 3.87 0.27 0.00 -1.26 -5.03 105.19 104.67 2bbn n GLY 134 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 2bbn n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbn s GLN 135 N 0.00 3.83 -0.31 1.61 1.11 -1.26 -4.65 119.66 119.99 2bbn s GLN 135 Ca 0.00 0.42 -0.11 0.00 0.01 0.00 0.00 55.36 55.68 2bbn s GLN 135 Cb 0.00 -2.50 -0.03 0.00 -1.01 0.00 0.00 33.01 29.48 2bbn s GLN 135 CO 0.00 0.14 0.19 0.08 0.01 0.00 0.00 175.29 175.71 2bbn s VAL 136 N -2.08 5.05 0.00 1.09 1.01 -1.22 -4.91 120.40 119.34 2bbn s VAL 136 Ca 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2bbn s VAL 136 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2bbn s VAL 136 CO 0.24 0.13 0.00 0.59 0.00 0.00 0.00 175.10 176.06 2bbn n ASN 137 N 5.05 0.00 -0.07 3.32 5.03 -1.26 -1.93 115.26 125.40 2bbn n ASN 137 Ca -0.14 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.19 2bbn n ASN 137 Cb 0.50 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.21 2bbn n ASN 137 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2bbn n TYR 138 N 0.00 0.00 0.08 3.10 4.02 -1.26 -4.35 117.16 118.74 2bbn n TYR 138 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 2bbn n TYR 138 Cb 0.00 -0.53 -0.04 0.00 -0.02 0.00 0.00 39.34 38.76 2bbn n TYR 138 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2bbn h GLU 139 N -0.24 -0.31 -0.03 -0.72 4.81 -1.98 0.31 114.58 116.42 2bbn h GLU 139 Ca -0.34 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2bbn h GLU 139 Cb 1.41 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 2bbn h GLU 139 CO -0.13 -0.21 0.23 0.93 -0.73 0.00 0.00 179.01 179.10 2bbn h GLU 140 N -0.32 0.00 0.07 1.92 3.07 -1.97 0.28 114.58 117.63 2bbn h GLU 140 Ca -0.01 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 2bbn h GLU 140 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2bbn h GLU 140 CO -0.06 0.00 -0.75 0.35 -1.40 0.00 0.00 179.01 177.15 2bbn h PHE 141 N 0.00 0.27 0.00 4.33 3.04 -1.46 -2.34 116.94 120.77 2bbn h PHE 141 Ca 0.01 -0.20 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 2bbn h PHE 141 Cb 0.46 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2bbn h PHE 141 CO 0.00 1.29 -0.04 -0.24 -2.02 0.00 0.00 178.31 177.30 2bbn h VAL 142 N -0.65 0.07 0.12 1.41 3.04 0.42 -2.84 116.25 117.83 2bbn h VAL 142 Ca -0.16 -0.95 -0.28 0.00 -1.01 0.00 0.00 66.70 64.30 2bbn h VAL 142 Cb 1.42 1.89 -0.00 0.00 -2.01 0.00 0.00 31.29 32.58 2bbn h VAL 142 CO 0.03 0.04 -1.33 0.74 -1.01 0.00 0.00 177.57 176.04 2bbn h THR 143 N 0.00 1.39 0.41 3.17 2.02 -0.57 -3.30 112.91 116.03 2bbn h THR 143 Ca -0.00 -2.99 -0.02 0.00 0.77 0.00 0.00 66.41 64.17 2bbn h THR 143 Cb 0.88 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 2bbn h THR 143 CO 0.00 0.87 -0.20 -0.03 0.37 0.00 0.00 175.52 176.54 2bbn h MET 144 N 0.07 -0.53 -3.47 6.66 -1.53 -1.32 -3.36 114.93 111.45 2bbn h MET 144 Ca -0.17 0.04 -0.76 0.00 -3.44 0.00 0.00 59.70 55.37 2bbn h MET 144 Cb 1.98 0.12 -0.31 0.00 -0.55 0.00 0.00 31.60 32.84 2bbn h MET 144 CO 0.19 -0.22 0.19 0.00 0.14 0.00 0.00 176.91 177.21 2bbn s MET 145 N -4.42 3.76 -0.05 0.39 0.00 -1.08 -5.02 119.30 112.88 2bbn s MET 145 Ca -0.13 -3.22 0.05 0.00 0.00 0.00 0.00 55.69 52.39 2bbn s MET 145 Cb 0.02 -4.28 -0.02 0.00 0.00 0.00 0.00 34.83 30.54 2bbn s MET 145 CO 0.47 -1.25 -0.19 -0.08 0.00 0.00 0.00 175.02 173.97 2bbn s THR 146 N -1.25 2.65 -2.02 3.16 -1.32 -1.24 -4.81 115.64 110.81 2bbn s THR 146 Ca 0.29 -0.87 0.25 0.00 -1.21 0.00 0.00 61.69 60.14 2bbn s THR 146 Cb -0.09 -2.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.06 2bbn s THR 146 CO -0.10 0.58 1.35 -1.20 -2.21 0.00 0.00 174.62 173.04 2bbn n SER 147 N 2.53 1.64 0.00 8.08 7.64 -1.26 -5.12 113.62 127.13 2bbn n SER 147 Ca -0.17 -1.29 0.02 0.00 1.01 0.00 0.00 58.87 58.45 2bbn n SER 147 Cb 0.52 0.27 0.14 0.00 -1.01 0.00 0.00 64.21 64.13 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32