#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 4.69 -0.84 0.00 8.00 -1.26 -4.59 116.55 122.55 2bbn n ASP 2 Ca 0.00 -2.89 0.08 0.00 0.71 0.00 0.00 54.79 52.68 2bbn n ASP 2 Cb 0.00 -1.74 0.19 0.00 -0.02 0.00 0.00 41.12 39.55 2bbn n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bbn n GLN 3 N 8.23 2.59 -0.21 -1.24 10.64 -1.26 -4.32 117.38 131.80 2bbn n GLN 3 Ca 0.49 -2.14 0.11 0.00 -1.83 0.00 0.00 57.00 53.63 2bbn n GLN 3 Cb 0.46 -1.36 0.26 0.00 -0.86 0.00 0.00 30.24 28.74 2bbn n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2bbn n LEU 4 N 0.88 3.16 0.00 2.61 4.32 -1.26 -4.85 117.00 121.85 2bbn n LEU 4 Ca 0.15 -1.43 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 2bbn n LEU 4 Cb 0.48 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2bbn n LEU 4 CO 0.11 0.71 0.00 0.35 -1.22 0.00 0.00 177.39 177.34 2bbn n THR 5 N 1.27 0.00 -0.53 -5.08 -2.24 -1.26 -4.56 114.28 101.88 2bbn n THR 5 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2bbn n THR 5 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2bbn n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bbn n GLU 6 N 0.00 -1.14 -0.12 -0.78 1.02 -1.26 -4.64 120.64 113.72 2bbn n GLU 6 Ca 0.00 0.19 -0.23 0.00 -0.02 0.00 0.00 57.16 57.10 2bbn n GLU 6 Cb 0.00 -3.82 -0.08 0.00 -0.02 0.00 0.00 31.44 27.51 2bbn n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2bbn n GLU 7 N -0.05 0.57 0.00 3.49 2.13 -1.26 -4.13 120.64 121.39 2bbn n GLU 7 Ca 0.00 0.29 -0.13 0.00 0.66 0.00 0.00 57.16 57.98 2bbn n GLU 7 Cb 0.19 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 30.32 2bbn n GLU 7 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2bbn h GLN 8 N -1.00 -0.50 -1.16 5.31 4.20 -1.93 0.47 115.11 120.50 2bbn h GLN 8 Ca -0.47 0.03 0.33 0.00 0.06 0.00 0.00 58.65 58.60 2bbn h GLN 8 Cb 1.39 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 29.23 2bbn h GLN 8 CO -0.29 -0.34 0.82 -0.84 -0.67 0.00 0.00 178.83 177.52 2bbn h ILE 9 N -0.52 0.42 -0.42 2.54 3.07 -1.95 0.50 117.51 121.14 2bbn h ILE 9 Ca 0.06 -0.02 -0.00 0.00 1.55 0.00 0.00 64.86 66.45 2bbn h ILE 9 Cb 0.65 0.35 -0.02 0.00 -0.27 0.00 0.00 36.82 37.53 2bbn h ILE 9 CO -0.41 0.01 0.26 0.00 -1.05 0.00 0.00 178.15 176.96 2bbn h ALA 10 N 1.45 0.54 0.47 0.16 0.00 -0.21 -1.30 119.26 120.36 2bbn h ALA 10 Ca 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 2bbn h ALA 10 Cb 2.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2bbn h ALA 10 CO -0.06 0.02 -0.22 1.49 0.00 0.00 0.00 179.25 180.48 2bbn h GLU 11 N 0.56 -0.60 -0.96 0.00 4.57 0.34 -1.65 114.58 116.84 2bbn h GLU 11 Ca 0.15 0.04 0.25 0.00 -1.18 0.00 0.00 59.36 58.62 2bbn h GLU 11 Cb -0.01 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 2bbn h GLU 11 CO -0.03 -0.40 0.65 0.35 -1.18 0.00 0.00 179.01 178.40 2bbn h PHE 12 N -0.63 0.39 -0.18 0.92 3.57 -1.32 0.26 116.94 119.95 2bbn h PHE 12 Ca -0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.46 2bbn h PHE 12 Cb 0.48 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2bbn h PHE 12 CO -0.04 0.07 0.10 -0.22 -2.23 0.00 0.00 178.31 175.99 2bbn h LYS 13 N 0.26 0.20 -0.93 1.11 3.64 -0.28 -1.61 116.57 118.97 2bbn h LYS 13 Ca 0.50 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 60.06 2bbn h LYS 13 Cb 1.48 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 33.15 2bbn h LYS 13 CO -0.15 0.14 0.49 1.49 -2.27 0.00 0.00 179.45 179.15 2bbn h GLU 14 N 0.21 0.57 -0.76 1.90 4.57 -0.09 0.58 114.58 121.57 2bbn h GLU 14 Ca 0.07 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2bbn h GLU 14 Cb 0.00 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2bbn h GLU 14 CO -0.04 0.38 0.50 0.00 -1.18 0.00 0.00 179.01 178.67 2bbn h ALA 15 N 1.65 1.49 0.00 2.92 0.00 -1.08 0.25 119.26 124.49 2bbn h ALA 15 Ca 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 2bbn h ALA 15 Cb 0.92 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2bbn h ALA 15 CO -0.43 0.46 -0.13 0.35 0.00 0.00 0.00 179.25 179.50 2bbn h PHE 16 N 0.99 0.00 0.00 0.00 3.57 0.62 0.19 116.94 122.31 2bbn h PHE 16 Ca 0.29 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.66 2bbn h PHE 16 Cb -0.06 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2bbn h PHE 16 CO -0.00 0.13 -0.82 0.77 -2.23 0.00 0.00 178.31 176.16 2bbn h SER 17 N 0.00 0.00 0.08 0.41 0.02 -0.29 -3.33 113.55 110.43 2bbn h SER 17 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2bbn h SER 17 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2bbn h SER 17 CO 0.02 0.54 -1.83 -0.11 -1.14 0.00 0.00 176.83 174.31 2bbn n LEU 18 N -3.12 2.40 -1.59 5.07 7.94 -0.79 -4.15 117.00 122.76 2bbn n LEU 18 Ca -0.02 0.26 -0.05 0.00 -1.11 0.00 0.00 56.01 55.09 2bbn n LEU 18 Cb 0.78 -1.05 0.01 0.00 0.53 0.00 0.00 43.42 43.69 2bbn n LEU 18 CO 0.42 0.68 1.03 0.33 -1.11 0.00 0.00 177.39 178.73 2bbn n PHE 19 N -3.79 0.51 -2.69 1.96 -0.00 0.60 -3.89 117.46 110.16 2bbn n PHE 19 Ca -0.34 -1.27 -0.07 0.00 -0.00 0.00 0.00 57.45 55.78 2bbn n PHE 19 Cb 0.93 -0.63 0.08 0.00 -0.00 0.00 0.00 39.48 39.86 2bbn n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2bbn n ASP 20 N 1.04 -0.11 0.00 -2.13 2.03 -1.25 -4.75 116.55 111.38 2bbn n ASP 20 Ca 0.10 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.89 2bbn n ASP 20 Cb 0.54 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 2bbn n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bbn n LYS 21 N -0.44 0.00 -0.04 -0.67 5.02 -1.25 -2.07 118.16 118.71 2bbn n LYS 21 Ca 0.02 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.59 2bbn n LYS 21 Cb 0.83 -1.63 -0.00 0.00 -0.02 0.00 0.00 35.03 34.21 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bbn h ASP 22 N 0.00 0.00 0.00 4.39 3.32 -1.94 -3.49 116.42 118.70 2bbn h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bbn h ASP 22 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2bbn h ASP 22 CO 0.00 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2bbn n GLY 23 N 1.79 -0.16 0.14 2.75 0.00 -0.88 -5.01 105.19 103.81 2bbn n GLY 23 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 0.49 -2.02 1.61 3.04 -1.95 -3.49 116.42 114.10 2bbn h ASP 24 Ca 0.00 -0.84 0.00 0.00 -3.24 0.00 0.00 57.03 52.95 2bbn h ASP 24 Cb 0.00 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.13 2bbn h ASP 24 CO 0.00 1.73 0.00 0.61 -2.04 0.00 0.00 179.24 179.54 2bbn n GLY 25 N 1.87 0.71 3.64 7.15 0.00 -1.26 -5.09 105.19 112.20 2bbn n GLY 25 Ca -0.26 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.70 0.00 -0.68 2.61 -4.23 -1.26 -4.86 115.64 104.51 2bbn s THR 26 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 2bbn s THR 26 Cb 0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 2bbn s THR 26 CO 0.00 0.00 1.80 -0.63 -0.54 0.00 0.00 174.62 175.25 2bbn s ILE 27 N 0.99 3.42 0.30 2.99 -1.09 -1.17 -4.80 121.20 121.84 2bbn s ILE 27 Ca -0.05 0.10 0.11 0.00 -2.23 0.00 0.00 60.65 58.58 2bbn s ILE 27 Cb -0.05 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 2bbn s ILE 27 CO -0.11 -1.05 -0.12 -0.89 -1.23 0.00 0.00 174.94 171.54 2bbn s THR 28 N 8.78 2.60 0.64 2.92 2.01 -1.26 -3.46 115.64 127.87 2bbn s THR 28 Ca 0.64 -2.24 0.22 0.00 0.31 0.00 0.00 61.69 60.62 2bbn s THR 28 Cb -0.11 -2.51 0.26 0.00 0.01 0.00 0.00 72.50 70.14 2bbn s THR 28 CO 0.16 -0.33 1.62 0.71 -0.69 0.00 0.00 174.62 176.08 2bbn h THR 29 N 2.10 0.08 0.22 -0.82 1.35 -1.92 0.28 112.91 114.20 2bbn h THR 29 Ca -0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 2bbn h THR 29 Cb 1.26 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2bbn h THR 29 CO 0.63 0.00 -0.11 0.11 -0.25 0.00 0.00 175.52 175.90 2bbn h LYS 30 N 0.00 -0.29 0.00 4.72 1.79 -1.94 0.37 116.57 121.22 2bbn h LYS 30 Ca 0.10 0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 2bbn h LYS 30 Cb 1.36 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.06 2bbn h LYS 30 CO -0.00 0.09 -0.58 0.93 -1.08 0.00 0.00 179.45 178.81 2bbn h GLU 31 N -0.83 0.00 -0.18 3.15 5.08 -1.26 -2.65 114.58 117.89 2bbn h GLU 31 Ca -0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 2bbn h GLU 31 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2bbn h GLU 31 CO 0.05 0.58 -0.63 1.25 -1.00 0.00 0.00 179.01 179.26 2bbn h LEU 32 N 0.00 0.86 0.31 1.33 6.46 -0.61 -2.81 115.31 120.86 2bbn h LEU 32 Ca -0.01 -0.60 -0.02 0.00 -0.12 0.00 0.00 57.88 57.14 2bbn h LEU 32 Cb 1.25 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 2bbn h LEU 32 CO 0.08 1.32 -0.15 1.23 -0.62 0.00 0.00 178.44 180.29 2bbn h GLY 33 N 0.45 -0.44 0.04 3.75 0.00 -0.91 0.44 103.07 106.41 2bbn h GLY 33 Ca -0.03 0.16 0.15 0.00 0.00 0.00 0.00 47.33 47.61 2bbn h GLY 33 CO 0.13 -0.16 0.23 0.00 0.00 0.00 0.00 176.54 176.74 2bbn h THR 34 N -0.88 0.58 0.17 4.70 1.03 -1.58 0.79 112.91 117.71 2bbn h THR 34 Ca -0.04 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.23 2bbn h THR 34 Cb 0.52 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 2bbn h THR 34 CO 0.07 0.06 -0.08 0.58 -0.01 0.00 0.00 175.52 176.14 2bbn h VAL 35 N 0.34 0.00 -0.67 0.00 2.07 -1.50 -2.66 116.25 113.83 2bbn h VAL 35 Ca 0.41 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.61 2bbn h VAL 35 Cb 0.66 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.31 2bbn h VAL 35 CO -0.46 0.00 -0.33 -0.03 0.02 0.00 0.00 177.57 176.77 2bbn h MET 36 N -0.65 -0.12 -0.78 1.57 -1.53 0.02 0.73 114.93 114.17 2bbn h MET 36 Ca -0.02 0.01 0.18 0.00 -3.44 0.00 0.00 59.70 56.43 2bbn h MET 36 Cb 0.17 0.03 -0.12 0.00 -0.55 0.00 0.00 31.60 31.12 2bbn h MET 36 CO 0.04 -0.08 0.15 -0.09 0.14 0.00 0.00 176.91 177.07 2bbn h ARG 37 N -0.12 0.20 0.00 0.39 2.43 0.49 2.58 114.38 120.35 2bbn h ARG 37 Ca 0.26 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2bbn h ARG 37 Cb 0.56 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2bbn h ARG 37 CO -0.74 0.13 -0.02 0.66 -1.51 0.00 0.00 179.97 178.49 2bbn h SER 38 N 0.21 0.00 -0.41 -3.80 4.64 0.60 -2.36 113.55 112.43 2bbn h SER 38 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2bbn h SER 38 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2bbn h SER 38 CO -0.59 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 175.57 2bbn n LEU 39 N -3.13 3.21 0.00 5.97 4.32 0.52 -4.96 117.00 122.93 2bbn n LEU 39 Ca 0.01 -1.74 0.00 0.00 -0.02 0.00 0.00 56.01 54.26 2bbn n LEU 39 Cb 0.33 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 2bbn n LEU 39 CO 0.28 0.75 0.00 0.61 -1.22 0.00 0.00 177.39 177.82 2bbn n GLY 40 N 1.08 -1.60 0.12 -0.72 0.00 0.75 -4.98 105.19 99.83 2bbn n GLY 40 Ca 0.16 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 0.00 -3.15 1.61 6.02 -1.18 -4.85 117.38 115.82 2bbn n GLN 41 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2bbn n GLN 41 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 2bbn n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2bbn n ASN 42 N -1.31 -7.10 0.00 1.08 2.85 -1.26 -4.25 115.26 105.26 2bbn n ASN 42 Ca 0.00 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2bbn n ASN 42 Cb 0.00 -4.28 0.00 0.00 1.24 0.00 0.00 39.78 36.74 2bbn n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2bbn n PRO 43 N -1.10 0.00 -1.44 1.20 -0.05 -1.26 -4.78 135.00 127.57 2bbn n PRO 43 Ca -0.01 0.49 -0.37 0.00 -0.05 0.00 0.00 63.50 63.55 2bbn n PRO 43 Cb 0.54 -1.33 0.05 0.00 -0.05 0.00 0.00 33.50 32.71 2bbn n PRO 43 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 2bbn n THR 44 N -1.96 2.43 -0.00 0.52 5.66 -1.26 -4.93 114.28 114.74 2bbn n THR 44 Ca 0.00 -0.47 -0.00 0.00 -3.05 0.00 0.00 64.05 60.53 2bbn n THR 44 Cb 0.00 -0.79 -0.00 0.00 -1.55 0.00 0.00 70.33 67.99 2bbn n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2bbn n GLU 45 N -0.45 1.16 -0.05 1.09 2.13 -1.26 -4.64 120.64 118.61 2bbn n GLU 45 Ca 0.12 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.86 2bbn n GLU 45 Cb 0.48 -1.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.17 2bbn n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2bbn h ALA 46 N 0.00 0.16 -0.82 4.31 0.00 -2.00 0.14 119.26 121.05 2bbn h ALA 46 Ca -0.00 0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.23 2bbn h ALA 46 Cb 1.00 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2bbn h ALA 46 CO -0.00 -0.46 0.65 1.05 0.00 0.00 0.00 179.25 180.48 2bbn h GLU 47 N 0.01 0.00 0.01 0.00 -0.00 -1.99 0.02 114.58 112.63 2bbn h GLU 47 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.47 2bbn h GLU 47 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 2bbn h GLU 47 CO -0.23 0.00 -0.01 1.25 -0.00 0.00 0.00 179.01 180.02 2bbn h LEU 48 N 0.00 -0.01 -0.41 3.06 5.85 -1.01 -2.06 115.31 120.73 2bbn h LEU 48 Ca 0.39 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2bbn h LEU 48 Cb 1.68 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 2bbn h LEU 48 CO -0.00 0.63 0.21 -0.61 -0.34 0.00 0.00 178.44 178.32 2bbn h GLN 49 N -0.67 0.41 -0.71 1.25 4.15 -0.45 0.29 115.11 119.37 2bbn h GLN 49 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2bbn h GLN 49 Cb 0.64 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2bbn h GLN 49 CO 0.00 0.27 0.45 0.22 -1.93 0.00 0.00 178.83 177.84 2bbn h ASP 50 N 0.42 0.84 -0.28 -0.69 1.82 -1.36 -1.95 116.42 115.24 2bbn h ASP 50 Ca 0.17 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.69 2bbn h ASP 50 Cb 0.07 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 2bbn h ASP 50 CO -0.12 0.64 -0.09 -0.03 -1.61 0.00 0.00 179.24 178.03 2bbn h MET 51 N 0.97 0.68 -0.42 0.28 4.05 -0.60 -2.51 114.93 117.37 2bbn h MET 51 Ca 0.26 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 2bbn h MET 51 Cb -0.06 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 2bbn h MET 51 CO -0.05 0.76 0.13 0.97 0.23 0.00 0.00 176.91 178.94 2bbn h ILE 52 N 0.62 1.18 0.19 1.77 6.09 0.26 -2.93 117.51 124.69 2bbn h ILE 52 Ca 0.11 -0.61 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 2bbn h ILE 52 Cb 0.53 0.72 0.00 0.00 0.47 0.00 0.00 36.82 38.54 2bbn h ILE 52 CO 0.03 0.23 -0.09 0.78 -3.07 0.00 0.00 178.15 176.03 2bbn h ASN 53 N 0.61 -0.21 -1.44 2.19 4.21 -0.97 0.44 115.58 120.40 2bbn h ASN 53 Ca 0.14 -0.25 0.42 0.00 1.21 0.00 0.00 56.30 57.82 2bbn h ASN 53 Cb 0.19 0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 37.37 2bbn h ASN 53 CO -0.01 0.16 1.01 -0.08 -1.29 0.00 0.00 177.43 177.23 2bbn h GLU 54 N -0.63 0.05 0.00 0.81 4.81 -1.31 -0.99 114.58 117.32 2bbn h GLU 54 Ca -0.03 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2bbn h GLU 54 Cb 0.46 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2bbn h GLU 54 CO 0.04 0.03 -0.94 0.28 -0.73 0.00 0.00 179.01 177.69 2bbn h VAL 55 N 0.05 0.83 -1.28 0.32 2.07 -1.40 -3.45 116.25 113.41 2bbn h VAL 55 Ca 0.73 -1.96 -0.63 0.00 0.82 0.00 0.00 66.70 65.65 2bbn h VAL 55 Cb 2.72 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 34.38 2bbn h VAL 55 CO -0.10 0.28 1.46 -0.67 0.02 0.00 0.00 177.57 178.57 2bbn n ASP 56 N -4.50 2.32 0.00 0.57 -0.08 0.12 -4.85 116.55 110.13 2bbn n ASP 56 Ca -0.24 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 2bbn n ASP 56 Cb 0.56 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.69 2bbn n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bbn n ALA 57 N 10.71 -0.21 -0.13 -1.67 0.00 -1.26 -3.60 120.51 124.36 2bbn n ALA 57 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2bbn n ALA 57 Cb 0.29 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2bbn n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bbn n ASP 58 N -2.57 0.00 0.00 0.00 8.00 -1.26 -4.96 116.55 115.76 2bbn n ASP 58 Ca 0.00 0.94 0.00 0.00 0.71 0.00 0.00 54.79 56.44 2bbn n ASP 58 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2bbn n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bbn n GLY 59 N -0.94 0.00 0.02 0.44 0.00 -1.24 -5.02 105.19 98.45 2bbn n GLY 59 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2bbn n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbn n ASN 60 N 0.00 0.27 0.00 1.61 4.13 -1.26 -4.90 115.26 115.11 2bbn n ASN 60 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 2bbn n ASN 60 Cb 0.00 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 2bbn n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bbn n GLY 61 N 1.46 2.34 3.36 7.41 0.00 -1.26 -5.00 105.19 113.49 2bbn n GLY 61 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.36 0.05 0.05 2.61 -4.23 -1.26 -4.63 115.64 105.86 2bbn s THR 62 Ca 0.00 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 2bbn s THR 62 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 2bbn s THR 62 CO 0.00 -0.21 -0.05 0.27 -0.54 0.00 0.00 174.62 174.09 2bbn s ILE 63 N -4.01 3.70 0.00 2.99 -4.36 -1.23 -4.93 121.20 113.36 2bbn s ILE 63 Ca 0.21 -0.96 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 2bbn s ILE 63 Cb 0.03 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2bbn s ILE 63 CO 0.03 0.24 0.00 0.47 0.24 0.00 0.00 174.94 175.93 2bbn n ASP 64 N 1.05 0.00 -0.07 4.36 8.00 -1.26 -3.02 116.55 125.62 2bbn n ASP 64 Ca -0.14 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.32 2bbn n ASP 64 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 2bbn n ASP 64 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2bbn h PHE 65 N 0.00 0.00 0.11 1.24 -1.00 -1.99 -3.34 116.94 111.96 2bbn h PHE 65 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2bbn h PHE 65 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 2bbn h PHE 65 CO 0.00 0.08 -0.14 -1.35 -1.61 0.00 0.00 178.31 175.29 2bbn h PRO 66 N -1.00 -0.25 -0.46 1.51 0.10 -1.99 -1.11 132.00 128.80 2bbn h PRO 66 Ca -0.02 0.02 0.13 0.00 0.10 0.00 0.00 66.00 66.24 2bbn h PRO 66 Cb 0.45 0.06 -0.02 0.00 0.10 0.00 0.00 31.00 31.59 2bbn h PRO 66 CO -0.01 -0.16 0.90 0.93 0.10 0.00 0.00 178.00 179.76 2bbn h GLU 67 N -0.26 0.00 0.00 1.05 5.08 -1.96 0.22 114.58 118.71 2bbn h GLU 67 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bbn h GLU 67 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2bbn h GLU 67 CO -0.03 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.32 2bbn n PHE 68 N -3.03 0.00 0.27 4.33 -0.00 -0.46 -1.39 117.46 117.18 2bbn n PHE 68 Ca 0.10 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.73 2bbn n PHE 68 Cb 1.06 -0.31 0.89 0.00 -0.00 0.00 0.00 39.48 41.12 2bbn n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2bbn h LEU 69 N 0.00 0.00 0.02 -2.13 3.38 -0.99 -1.83 115.31 113.76 2bbn h LEU 69 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bbn h LEU 69 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bbn h LEU 69 CO 0.00 0.00 -0.01 0.74 0.09 0.00 0.00 178.44 179.26 2bbn h THR 70 N 0.00 1.32 -0.45 0.22 2.02 -0.69 -1.02 112.91 114.31 2bbn h THR 70 Ca 0.05 -1.85 0.13 0.00 0.77 0.00 0.00 66.41 65.50 2bbn h THR 70 Cb 0.55 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2bbn h THR 70 CO -0.00 0.43 0.42 -0.03 0.37 0.00 0.00 175.52 176.70 2bbn h MET 71 N -0.94 0.00 0.00 6.66 1.85 -0.39 0.34 114.93 122.45 2bbn h MET 71 Ca -0.00 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.91 2bbn h MET 71 Cb 0.72 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.72 2bbn h MET 71 CO 0.00 0.00 -1.48 -1.33 -0.40 0.00 0.00 176.91 173.70 2bbn n MET 72 N -3.92 0.62 -0.15 0.39 2.00 -0.97 -3.83 117.12 111.26 2bbn n MET 72 Ca 0.08 0.21 0.10 0.00 0.00 0.00 0.00 57.70 58.09 2bbn n MET 72 Cb 0.61 -1.79 0.28 0.00 0.00 0.00 0.00 33.22 32.32 2bbn n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2bbn n ALA 73 N -2.42 2.47 -1.91 3.04 0.00 0.87 -4.78 120.51 117.79 2bbn n ALA 73 Ca -0.11 -0.71 -0.23 0.00 0.00 0.00 0.00 53.44 52.38 2bbn n ALA 73 Cb 0.86 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 2bbn n ALA 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2bbn s ARG 74 N -1.59 2.13 0.70 0.00 3.52 0.61 -4.93 118.95 119.39 2bbn s ARG 74 Ca 0.33 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 2bbn s ARG 74 Cb 0.18 -5.08 0.01 0.00 -1.56 0.00 0.00 34.95 28.50 2bbn s ARG 74 CO 0.25 -4.20 1.06 0.15 -0.81 0.00 0.00 175.30 171.76 2bbn s LYS 75 N 7.32 2.89 -0.26 5.12 1.02 -1.26 -5.06 119.74 129.51 2bbn s LYS 75 Ca 0.75 0.93 -0.32 0.00 0.02 0.00 0.00 55.97 57.34 2bbn s LYS 75 Cb -0.05 -1.99 0.17 0.00 -0.52 0.00 0.00 37.83 35.45 2bbn s LYS 75 CO 0.10 -1.12 1.30 1.41 -0.92 0.00 0.00 175.35 176.12 2bbn s MET 76 N -5.05 0.15 0.00 1.68 1.75 -1.26 -5.03 119.30 111.53 2bbn s MET 76 Ca 0.58 -0.01 0.13 0.00 -1.25 0.00 0.00 55.69 55.15 2bbn s MET 76 Cb -0.14 0.07 0.27 0.00 2.84 0.00 0.00 34.83 37.86 2bbn s MET 76 CO 0.55 -0.05 1.16 1.63 -0.65 0.00 0.00 175.02 177.65 2bbn n LYS 77 N 0.30 2.06 -0.03 4.11 4.76 -1.26 -4.47 118.16 123.63 2bbn n LYS 77 Ca 0.00 -1.83 -0.16 0.00 -2.87 0.00 0.00 58.31 53.46 2bbn n LYS 77 Cb 0.58 -1.30 -0.14 0.00 -1.84 0.00 0.00 35.03 32.33 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2bbn n ASP 78 N 0.75 1.48 -3.37 4.39 2.03 -1.26 -4.84 116.55 115.72 2bbn n ASP 78 Ca 0.12 0.21 -0.13 0.00 0.52 0.00 0.00 54.79 55.50 2bbn n ASP 78 Cb 0.41 -0.35 -0.08 0.00 -0.72 0.00 0.00 41.12 40.38 2bbn n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2bbn s THR 79 N -2.56 -0.51 -0.28 5.18 -4.23 -1.26 -5.10 115.64 106.88 2bbn s THR 79 Ca -0.17 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2bbn s THR 79 Cb 0.07 -0.92 0.14 0.00 1.34 0.00 0.00 72.50 73.13 2bbn s THR 79 CO 0.77 -0.32 0.31 1.51 -0.54 0.00 0.00 174.62 176.36 2bbn s ASP 80 N 2.45 1.41 0.29 3.99 -4.77 -1.26 -4.82 116.67 113.96 2bbn s ASP 80 Ca 0.10 -0.64 0.03 0.00 -3.30 0.00 0.00 52.55 48.74 2bbn s ASP 80 Cb -0.14 0.62 -0.06 0.00 -1.09 0.00 0.00 42.92 42.25 2bbn s ASP 80 CO -0.27 -0.38 0.07 -0.55 0.70 0.00 0.00 175.17 174.74 2bbn s SER 81 N 2.40 1.90 -0.17 2.11 0.15 -1.26 -5.03 113.70 113.79 2bbn s SER 81 Ca 0.09 -1.36 0.11 0.00 0.70 0.00 0.00 55.95 55.49 2bbn s SER 81 Cb -0.14 0.01 0.64 0.00 -1.71 0.00 0.00 66.02 64.82 2bbn s SER 81 CO -0.31 -0.64 1.47 -0.62 1.20 0.00 0.00 173.24 174.34 2bbn n GLU 82 N -0.58 3.96 0.19 5.44 1.02 -1.26 -4.36 120.64 125.05 2bbn n GLU 82 Ca -0.02 -2.44 0.14 0.00 -0.02 0.00 0.00 57.16 54.83 2bbn n GLU 82 Cb 0.66 -2.07 0.74 0.00 -0.02 0.00 0.00 31.44 30.76 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 3.14 0.00 0.54 3.49 4.39 -2.00 -2.26 114.58 121.89 2bbn h GLU 83 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2bbn h GLU 83 Cb 1.61 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.26 2bbn h GLU 83 CO 0.36 0.00 -0.26 0.93 -1.16 0.00 0.00 179.01 178.88 2bbn h GLU 84 N 0.00 -0.70 -0.29 2.33 4.39 -2.01 -2.66 114.58 115.64 2bbn h GLU 84 Ca 0.08 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.88 2bbn h GLU 84 Cb 0.37 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2bbn h GLU 84 CO -0.00 -0.40 0.01 0.82 -1.16 0.00 0.00 179.01 178.28 2bbn h ILE 85 N -0.93 0.80 -0.74 3.13 2.04 -1.79 -1.96 117.51 118.07 2bbn h ILE 85 Ca -0.07 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.91 2bbn h ILE 85 Cb 0.63 0.70 -0.14 0.00 -0.74 0.00 0.00 36.82 37.27 2bbn h ILE 85 CO 0.12 0.02 -0.12 0.03 0.00 0.00 0.00 178.15 178.20 2bbn h ARG 86 N 0.09 0.03 -0.58 2.37 3.08 -1.40 0.22 114.38 118.20 2bbn h ARG 86 Ca 0.14 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.20 2bbn h ARG 86 Cb 0.18 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2bbn h ARG 86 CO -0.22 0.02 0.36 0.93 -1.07 0.00 0.00 179.97 179.99 2bbn h GLU 87 N 0.03 0.71 -0.79 0.04 5.08 -1.00 -1.63 114.58 117.02 2bbn h GLU 87 Ca 0.37 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.80 2bbn h GLU 87 Cb 0.60 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2bbn h GLU 87 CO -0.72 0.47 0.52 0.00 -1.00 0.00 0.00 179.01 178.27 2bbn h ALA 88 N 1.24 1.81 -0.28 3.43 0.00 -0.11 0.06 119.26 125.42 2bbn h ALA 88 Ca 0.23 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2bbn h ALA 88 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2bbn h ALA 88 CO -0.08 0.01 -0.43 0.35 0.00 0.00 0.00 179.25 179.10 2bbn h PHE 89 N 0.68 0.83 0.96 0.00 3.57 -0.37 -2.93 116.94 119.68 2bbn h PHE 89 Ca 0.37 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2bbn h PHE 89 Cb 0.52 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.09 2bbn h PHE 89 CO -0.00 1.00 -0.46 0.00 -2.23 0.00 0.00 178.31 176.62 2bbn h ARG 90 N 0.56 -1.25 -0.56 1.11 2.47 -0.29 -2.21 114.38 114.20 2bbn h ARG 90 Ca 0.04 0.08 0.11 0.00 -1.26 0.00 0.00 59.98 58.95 2bbn h ARG 90 Cb 0.97 0.28 -0.11 0.00 -1.65 0.00 0.00 29.97 29.46 2bbn h ARG 90 CO 0.09 -0.83 -0.24 0.28 0.56 0.00 0.00 179.97 179.83 2bbn h VAL 91 N -1.29 0.28 -0.40 2.04 2.07 -1.44 -0.17 116.25 117.35 2bbn h VAL 91 Ca -0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2bbn h VAL 91 Cb 0.99 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2bbn h VAL 91 CO 0.22 0.00 -0.40 -0.26 0.02 0.00 0.00 177.57 177.14 2bbn h PHE 92 N -0.10 -1.16 -1.64 1.57 -1.00 -1.38 -0.57 116.94 112.66 2bbn h PHE 92 Ca 0.25 0.07 -0.68 0.00 2.81 0.00 0.00 57.97 60.42 2bbn h PHE 92 Cb 0.50 0.57 -0.23 0.00 3.61 0.00 0.00 35.95 40.41 2bbn h PHE 92 CO -0.55 -0.43 0.96 -3.47 -1.61 0.00 0.00 178.31 173.21 2bbn n ASP 93 N -5.42 7.20 -0.10 2.17 -0.08 -0.22 -4.70 116.55 115.40 2bbn n ASP 93 Ca -0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 54.79 49.73 2bbn n ASP 93 Cb 0.35 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.64 2bbn n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2bbn n LYS 94 N 0.21 0.31 0.01 -0.67 4.81 -0.22 -2.48 118.16 120.13 2bbn n LYS 94 Ca 0.52 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.87 2bbn n LYS 94 Cb 0.34 -1.03 -0.13 0.00 0.02 0.00 0.00 35.03 34.23 2bbn n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2bbn h ASP 95 N 0.13 0.04 0.00 3.14 2.03 -1.84 -3.48 116.42 116.44 2bbn h ASP 95 Ca 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2bbn h ASP 95 Cb 0.03 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2bbn h ASP 95 CO 0.00 1.05 0.00 0.61 -1.03 0.00 0.00 179.24 179.87 2bbn n GLY 96 N 1.50 1.28 0.10 7.15 0.00 -1.03 -4.99 105.19 109.19 2bbn n GLY 96 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2bbn n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bbn n ASN 97 N 0.00 0.15 0.00 1.61 5.03 -1.26 -4.96 115.26 115.83 2bbn n ASN 97 Ca 0.00 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.52 2bbn n ASN 97 Cb 0.00 0.82 0.00 0.00 -1.02 0.00 0.00 39.78 39.58 2bbn n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bbn n GLY 98 N 1.72 2.72 3.71 7.41 0.00 -1.26 -4.96 105.19 114.53 2bbn n GLY 98 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.63 3.34 0.12 1.61 0.08 -1.26 -4.61 117.98 115.62 2bbn s PHE 99 Ca 0.00 0.24 -0.29 0.00 0.12 0.00 0.00 56.93 57.00 2bbn s PHE 99 Cb 0.00 -2.00 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 2bbn s PHE 99 CO 0.00 0.37 0.91 0.42 -0.10 0.00 0.00 175.22 176.83 2bbn s ILE 100 N -0.22 4.49 0.33 0.64 1.01 -1.07 -4.98 121.20 121.39 2bbn s ILE 100 Ca 0.08 1.98 0.03 0.00 0.00 0.00 0.00 60.65 62.74 2bbn s ILE 100 Cb -0.12 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 2bbn s ILE 100 CO 0.01 0.36 0.08 -0.44 0.00 0.00 0.00 174.94 174.95 2bbn s SER 101 N -0.19 2.23 0.24 3.58 0.01 -1.26 -3.37 113.70 114.93 2bbn s SER 101 Ca 0.44 -1.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.25 2bbn s SER 101 Cb -0.23 0.08 0.26 0.00 0.21 0.00 0.00 66.02 66.34 2bbn s SER 101 CO 0.29 -0.70 1.65 0.00 0.41 0.00 0.00 173.24 174.89 2bbn h ALA 102 N 2.10 0.94 0.00 1.44 0.00 -1.96 -2.72 119.26 119.05 2bbn h ALA 102 Ca -0.39 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2bbn h ALA 102 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bbn h ALA 102 CO 0.65 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 180.51 2bbn h ALA 103 N 1.15 0.00 -0.92 0.00 0.00 -1.98 -2.54 119.26 114.97 2bbn h ALA 103 Ca 0.07 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.23 2bbn h ALA 103 Cb 0.77 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.41 2bbn h ALA 103 CO 0.06 0.01 0.21 0.93 0.00 0.00 0.00 179.25 180.45 2bbn h GLU 104 N -0.86 0.12 0.18 0.00 5.08 -1.97 -0.40 114.58 116.74 2bbn h GLU 104 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2bbn h GLU 104 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2bbn h GLU 104 CO 0.00 0.08 -0.09 1.25 -1.00 0.00 0.00 179.01 179.25 2bbn h LEU 105 N 0.13 -0.21 -0.75 1.33 5.85 -1.62 -2.69 115.31 117.35 2bbn h LEU 105 Ca 0.59 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 59.02 2bbn h LEU 105 Cb 1.26 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2bbn h LEU 105 CO -0.74 0.26 0.78 -0.09 -0.34 0.00 0.00 178.44 178.31 2bbn h ARG 106 N -0.75 0.00 0.04 1.25 2.43 -0.65 0.93 114.38 117.64 2bbn h ARG 106 Ca -0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2bbn h ARG 106 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2bbn h ARG 106 CO 0.04 0.00 -0.65 1.25 -1.51 0.00 0.00 179.97 179.10 2bbn h HIS 107 N 0.00 0.15 0.00 2.20 2.76 -1.05 -2.22 115.15 116.98 2bbn h HIS 107 Ca 0.03 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2bbn h HIS 107 Cb 1.59 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.55 2bbn h HIS 107 CO 0.00 1.25 0.00 0.28 -1.30 0.00 0.00 177.93 178.16 2bbn n VAL 108 N -4.39 0.49 -0.06 5.26 0.31 0.23 -2.24 118.33 117.94 2bbn n VAL 108 Ca -0.18 -0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 2bbn n VAL 108 Cb 0.65 -0.63 -0.15 0.00 -0.91 0.00 0.00 33.84 32.80 2bbn n VAL 108 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2bbn n MET 109 N -2.06 0.67 0.07 5.55 2.00 0.26 -4.21 117.12 119.39 2bbn n MET 109 Ca 0.06 0.17 -0.09 0.00 0.00 0.00 0.00 57.70 57.84 2bbn n MET 109 Cb 0.38 -1.67 -0.12 0.00 0.00 0.00 0.00 33.22 31.82 2bbn n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2bbn h THR 110 N 0.01 1.66 -0.39 2.03 2.02 -1.41 -3.19 112.91 113.63 2bbn h THR 110 Ca -0.42 -3.30 0.11 0.00 0.77 0.00 0.00 66.41 63.58 2bbn h THR 110 Cb 2.09 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 71.34 2bbn h THR 110 CO 0.05 0.95 0.37 -1.13 0.37 0.00 0.00 175.52 176.13 2bbn h ASN 111 N 0.02 0.00 0.00 4.18 -0.73 -1.62 -3.28 115.58 114.15 2bbn h ASN 111 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2bbn h ASN 111 Cb 1.80 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.39 2bbn h ASN 111 CO 0.15 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.39 2bbn n LEU 112 N -3.92 0.00 0.00 0.34 4.32 -1.21 -5.00 117.00 111.53 2bbn n LEU 112 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2bbn n LEU 112 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 2bbn n LEU 112 CO 0.30 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 2bbn n GLY 113 N 0.08 0.00 0.37 -0.72 0.00 -1.24 -4.94 105.19 98.74 2bbn n GLY 113 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bbn n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bbn h GLU 114 N 0.00 0.00 -5.55 1.61 4.57 -1.86 -3.44 114.58 109.91 2bbn h GLU 114 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2bbn h GLU 114 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2bbn h GLU 114 CO 0.00 0.00 -0.17 1.17 -1.18 0.00 0.00 179.01 178.83 2bbn n LYS 115 N -2.80 -1.37 -2.57 1.92 4.81 -1.26 -5.01 118.16 111.88 2bbn n LYS 115 Ca 0.04 1.38 -0.23 0.00 -0.87 0.00 0.00 58.31 58.63 2bbn n LYS 115 Cb 0.93 -5.32 0.07 0.00 0.02 0.00 0.00 35.03 30.73 2bbn n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2bbn s LEU 116 N -4.18 3.08 0.00 3.14 1.43 -1.26 -5.12 118.68 115.77 2bbn s LEU 116 Ca 0.02 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2bbn s LEU 116 Cb -0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2bbn s LEU 116 CO 0.77 -1.54 0.00 0.35 0.23 0.00 0.00 176.35 176.16 2bbn n THR 117 N -2.64 0.00 -0.05 5.49 -2.24 -1.26 -4.99 114.28 108.59 2bbn n THR 117 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2bbn n THR 117 Cb 0.60 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.13 2bbn n THR 117 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bbn n ASP 118 N -0.27 1.09 -0.49 3.42 -0.08 -1.26 -4.10 116.55 114.86 2bbn n ASP 118 Ca 0.00 0.28 0.41 0.00 -1.51 0.00 0.00 54.79 53.97 2bbn n ASP 118 Cb 0.00 -0.66 0.73 0.00 2.34 0.00 0.00 41.12 43.53 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2bbn h GLU 119 N -0.57 0.05 0.87 -0.67 4.81 -1.99 0.34 114.58 117.41 2bbn h GLU 119 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2bbn h GLU 119 Cb 0.48 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.86 2bbn h GLU 119 CO 0.00 0.03 -0.42 1.49 -0.73 0.00 0.00 179.01 179.39 2bbn h GLU 120 N 0.05 -1.12 -0.61 1.92 4.81 -1.99 -2.57 114.58 115.07 2bbn h GLU 120 Ca 0.76 0.08 0.10 0.00 -0.13 0.00 0.00 59.36 60.16 2bbn h GLU 120 Cb 2.81 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 32.37 2bbn h GLU 120 CO -0.13 -0.75 0.22 0.28 -0.73 0.00 0.00 179.01 177.91 2bbn h VAL 121 N -1.27 0.75 -0.87 0.32 2.07 -1.11 0.16 116.25 116.30 2bbn h VAL 121 Ca -0.12 -0.14 0.22 0.00 0.82 0.00 0.00 66.70 67.49 2bbn h VAL 121 Cb 0.89 0.32 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 2bbn h VAL 121 CO 0.20 0.07 0.31 -0.78 0.02 0.00 0.00 177.57 177.39 2bbn h ASP 122 N 0.40 0.17 1.17 0.57 3.58 -1.28 1.03 116.42 122.05 2bbn h ASP 122 Ca 0.31 0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.88 2bbn h ASP 122 Cb 0.40 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2bbn h ASP 122 CO -0.32 -0.08 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.36 2bbn h GLU 123 N 0.30 0.00 0.05 0.28 5.08 -0.59 -1.96 114.58 117.74 2bbn h GLU 123 Ca 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2bbn h GLU 123 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2bbn h GLU 123 CO -0.58 0.27 -0.02 1.98 -1.00 0.00 0.00 179.01 179.66 2bbn h MET 124 N 0.00 -0.06 -0.36 2.33 4.05 0.21 -2.52 114.93 118.57 2bbn h MET 124 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2bbn h MET 124 Cb 0.93 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 2bbn h MET 124 CO 0.04 0.51 0.07 0.82 0.23 0.00 0.00 176.91 178.58 2bbn h ILE 125 N -0.70 1.23 -0.60 1.77 2.04 -0.79 -1.34 117.51 119.12 2bbn h ILE 125 Ca -0.01 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.12 2bbn h ILE 125 Cb 0.60 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2bbn h ILE 125 CO 0.01 0.27 0.28 0.03 0.00 0.00 0.00 178.15 178.74 2bbn h ARG 126 N 0.44 0.49 -0.21 2.37 2.47 -1.44 -1.16 114.38 117.34 2bbn h ARG 126 Ca 0.11 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.70 2bbn h ARG 126 Cb 0.34 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2bbn h ARG 126 CO 0.00 0.32 -0.30 0.93 0.56 0.00 0.00 179.97 181.49 2bbn h GLU 127 N 0.50 0.42 -0.38 0.04 4.39 -1.26 -2.70 114.58 115.59 2bbn h GLU 127 Ca 0.28 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.87 2bbn h GLU 127 Cb 0.27 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2bbn h GLU 127 CO -0.23 0.68 0.26 0.00 -1.16 0.00 0.00 179.01 178.56 2bbn h ALA 128 N 1.32 1.98 -1.99 3.43 0.00 -0.04 -3.39 119.26 120.57 2bbn h ALA 128 Ca 0.05 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 2bbn h ALA 128 Cb 0.71 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2bbn h ALA 128 CO 0.05 -0.05 0.86 -0.51 0.00 0.00 0.00 179.25 179.61 2bbn s ASP 129 N -6.58 6.93 0.10 0.00 1.11 -1.01 -4.88 116.67 112.33 2bbn s ASP 129 Ca -0.07 1.19 0.18 0.00 0.18 0.00 0.00 52.55 54.03 2bbn s ASP 129 Cb 0.18 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.53 2bbn s ASP 129 CO 0.72 -0.86 0.89 0.40 1.18 0.00 0.00 175.17 177.50 2bbn h ILE 130 N 5.69 0.39 -3.83 0.77 5.03 -1.85 -3.48 117.51 120.23 2bbn h ILE 130 Ca -0.22 -1.77 0.00 0.00 -0.12 0.00 0.00 64.86 62.76 2bbn h ILE 130 Cb 1.07 1.92 0.00 0.00 -3.03 0.00 0.00 36.82 36.78 2bbn h ILE 130 CO 1.02 0.22 0.00 -0.90 -0.68 0.00 0.00 178.15 177.81 2bbn n ASP 131 N -2.85 0.18 -4.42 1.72 5.68 -1.26 -5.05 116.55 110.54 2bbn n ASP 131 Ca -0.07 -0.83 -0.44 0.00 -0.50 0.00 0.00 54.79 52.94 2bbn n ASP 131 Cb 0.77 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.69 2bbn n ASP 131 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2bbn s GLY 132 N -1.75 1.85 0.00 6.12 0.00 -1.26 -4.76 107.32 107.53 2bbn s GLY 132 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 2bbn s GLY 132 CO 0.00 1.38 0.00 1.34 0.00 0.00 0.00 173.10 175.82 2bbn n ASP 133 N 5.93 0.00 0.00 1.64 2.03 -1.26 -5.13 116.55 119.76 2bbn n ASP 133 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2bbn n ASP 133 Cb 0.45 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bbn n GLY 134 N -0.34 0.78 1.73 0.27 0.00 -1.26 -5.11 105.19 101.25 2bbn n GLY 134 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2bbn n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bbn n GLN 135 N 0.00 -0.96 -3.86 1.61 6.02 -1.26 -4.63 117.38 114.30 2bbn n GLN 135 Ca 0.00 -0.91 -0.33 0.00 -0.01 0.00 0.00 57.00 55.75 2bbn n GLN 135 Cb 0.00 -0.66 -0.12 0.00 1.02 0.00 0.00 30.24 30.48 2bbn n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2bbn s VAL 136 N -2.22 2.99 0.00 5.09 1.01 -1.22 -4.90 120.40 121.15 2bbn s VAL 136 Ca 0.34 -2.82 0.00 0.00 0.00 0.00 0.00 61.98 59.50 2bbn s VAL 136 Cb -0.01 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2bbn s VAL 136 CO 0.24 -0.77 0.00 0.59 0.00 0.00 0.00 175.10 175.17 2bbn n ASN 137 N 3.68 0.00 0.12 3.32 3.02 -1.26 -2.60 115.26 121.54 2bbn n ASN 137 Ca 0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.53 2bbn n ASN 137 Cb 0.37 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2bbn h TYR 138 N 0.00 -0.37 -0.98 3.10 5.03 -1.99 -2.68 116.97 119.09 2bbn h TYR 138 Ca 0.00 -0.01 0.33 0.00 2.58 0.00 0.00 58.73 61.63 2bbn h TYR 138 Cb 0.00 0.12 -0.16 0.00 1.55 0.00 0.00 36.73 38.24 2bbn h TYR 138 CO 0.00 -0.23 0.46 0.93 -1.32 0.00 0.00 178.16 178.00 2bbn h GLU 139 N -1.08 0.19 0.00 1.82 5.08 -2.00 1.34 114.58 119.93 2bbn h GLU 139 Ca -0.04 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2bbn h GLU 139 Cb 0.31 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2bbn h GLU 139 CO 0.07 0.12 -0.53 0.93 -1.00 0.00 0.00 179.01 178.61 2bbn h GLU 140 N 0.19 0.00 0.00 2.33 4.39 -1.93 -2.66 114.58 116.91 2bbn h GLU 140 Ca 0.72 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.27 2bbn h GLU 140 Cb 1.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 2bbn h GLU 140 CO -0.69 0.53 -0.74 0.35 -1.16 0.00 0.00 179.01 177.30 2bbn h PHE 141 N 0.00 0.00 0.32 4.33 3.04 0.20 -1.57 116.94 123.27 2bbn h PHE 141 Ca -0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2bbn h PHE 141 Cb 0.94 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.45 2bbn h PHE 141 CO 0.00 0.74 -0.16 0.28 -2.02 0.00 0.00 178.31 177.16 2bbn h VAL 142 N 0.00 0.25 -0.66 1.41 2.07 -0.78 -2.63 116.25 115.90 2bbn h VAL 142 Ca -0.01 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2bbn h VAL 142 Cb 1.34 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2bbn h VAL 142 CO 0.10 0.06 0.33 0.74 0.02 0.00 0.00 177.57 178.82 2bbn h THR 143 N -1.05 1.22 -0.65 2.57 2.02 -1.58 -2.76 112.91 112.67 2bbn h THR 143 Ca -0.04 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.60 2bbn h THR 143 Cb 0.44 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 2bbn h THR 143 CO 0.07 0.26 0.32 -0.03 0.37 0.00 0.00 175.52 176.51 2bbn h MET 144 N 0.92 0.55 -2.79 6.66 1.85 -1.38 -3.12 114.93 117.62 2bbn h MET 144 Ca 0.23 -0.03 -0.78 0.00 -0.61 0.00 0.00 59.70 58.50 2bbn h MET 144 Cb 0.10 -0.12 -0.30 0.00 0.43 0.00 0.00 31.60 31.71 2bbn h MET 144 CO -0.03 0.36 0.63 -1.33 -0.40 0.00 0.00 176.91 176.15 2bbn n MET 145 N -4.87 4.31 0.00 0.39 2.00 -0.99 -4.94 117.12 113.02 2bbn n MET 145 Ca 0.09 -4.58 0.00 0.00 0.00 0.00 0.00 57.70 53.21 2bbn n MET 145 Cb 0.23 -2.48 0.00 0.00 0.00 0.00 0.00 33.22 30.97 2bbn n MET 145 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2bbn n THR 146 N 1.17 0.00 0.00 2.03 -1.04 -1.18 -4.89 114.28 110.37 2bbn n THR 146 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 2bbn n THR 146 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2bbn n THR 146 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2bbn n SER 147 N 0.00 0.00 0.00 8.00 3.41 -1.26 -4.91 113.62 118.86 2bbn n SER 147 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2bbn n SER 147 Cb 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2bbn n SER 147 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17