#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 -0.38 0.00 8.00 -1.26 -4.83 116.55 118.08 2bbn n ASP 2 Ca 0.00 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2bbn n ASP 2 Cb 0.00 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.00 1.17 -1.87 -1.24 6.02 -1.26 -3.80 117.38 116.40 2bbn n GLN 3 Ca 0.00 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.52 2bbn n GLN 3 Cb 0.56 -1.35 0.04 0.00 1.02 0.00 0.00 30.24 30.51 2bbn n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2bbn n LEU 4 N -0.12 6.16 0.00 1.08 7.94 -1.26 -4.79 117.00 126.00 2bbn n LEU 4 Ca 0.01 -4.71 0.00 0.00 -1.11 0.00 0.00 56.01 50.21 2bbn n LEU 4 Cb 0.20 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2bbn n LEU 4 CO 0.01 1.88 0.00 0.35 -1.11 0.00 0.00 177.39 178.53 2bbn n THR 5 N -0.71 0.00 -1.47 1.96 -2.24 -1.25 -4.97 114.28 105.61 2bbn n THR 5 Ca 0.51 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 62.15 2bbn n THR 5 Cb 0.70 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.32 -1.36 -0.01 -0.78 1.02 -1.26 -4.81 120.64 113.12 2bbn n GLU 6 Ca 0.00 0.80 -0.00 0.00 -0.02 0.00 0.00 57.16 57.94 2bbn n GLU 6 Cb 0.00 -5.08 -0.00 0.00 -0.02 0.00 0.00 31.44 26.34 2bbn n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2bbn h GLU 7 N 0.00 0.00 -0.18 3.49 5.08 -1.98 -3.27 114.58 117.72 2bbn h GLU 7 Ca -0.28 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2bbn h GLU 7 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2bbn h GLU 7 CO 0.41 0.00 -0.17 1.96 -1.00 0.00 0.00 179.01 180.21 2bbn h GLN 8 N -0.08 0.43 -0.77 2.33 4.20 -2.01 -2.69 115.11 116.51 2bbn h GLN 8 Ca 0.00 -0.22 0.14 0.00 0.06 0.00 0.00 58.65 58.63 2bbn h GLN 8 Cb 0.03 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 2bbn h GLN 8 CO 0.00 0.78 0.34 0.82 -0.67 0.00 0.00 178.83 180.10 2bbn h ILE 9 N 0.08 0.69 -0.66 2.54 2.04 -1.96 -0.45 117.51 119.80 2bbn h ILE 9 Ca 0.03 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2bbn h ILE 9 Cb 0.70 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2bbn h ILE 9 CO 0.04 0.09 0.29 0.00 0.00 0.00 0.00 178.15 178.57 2bbn h ALA 10 N 1.54 0.85 -0.21 1.87 0.00 -1.59 -1.59 119.26 120.14 2bbn h ALA 10 Ca 0.42 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2bbn h ALA 10 Cb 0.61 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2bbn h ALA 10 CO -0.38 0.44 -0.31 0.93 0.00 0.00 0.00 179.25 179.93 2bbn h GLU 11 N 0.92 -0.33 -0.18 0.00 4.39 -0.74 0.25 114.58 118.88 2bbn h GLU 11 Ca 0.22 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2bbn h GLU 11 Cb 0.16 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2bbn h GLU 11 CO -0.02 -0.22 0.08 0.74 -1.16 0.00 0.00 179.01 178.43 2bbn h PHE 12 N -0.34 0.27 -0.88 4.33 0.04 -1.36 -2.30 116.94 116.70 2bbn h PHE 12 Ca 0.12 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 61.04 2bbn h PHE 12 Cb 0.53 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 38.49 2bbn h PHE 12 CO -0.44 0.31 0.44 -0.22 -0.60 0.00 0.00 178.31 177.81 2bbn h LYS 13 N 0.16 0.55 0.17 1.51 3.64 -0.58 -0.24 116.57 121.78 2bbn h LYS 13 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2bbn h LYS 13 Cb 0.15 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2bbn h LYS 13 CO -0.01 0.37 -0.10 1.49 -2.27 0.00 0.00 179.45 178.93 2bbn h GLU 14 N 0.57 -0.24 -0.62 1.90 4.57 -0.05 -0.98 114.58 119.72 2bbn h GLU 14 Ca 0.51 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.87 2bbn h GLU 14 Cb 0.81 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.43 2bbn h GLU 14 CO -0.42 -0.16 0.44 0.00 -1.18 0.00 0.00 179.01 177.69 2bbn h ALA 15 N 0.57 2.49 0.00 2.92 0.00 -0.58 0.67 119.26 125.33 2bbn h ALA 15 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2bbn h ALA 15 Cb 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2bbn h ALA 15 CO 0.03 -0.67 -0.34 0.35 0.00 0.00 0.00 179.25 178.61 2bbn h PHE 16 N 0.07 0.00 0.00 0.00 3.57 0.12 0.23 116.94 120.92 2bbn h PHE 16 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2bbn h PHE 16 Cb 1.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2bbn h PHE 16 CO -0.00 0.34 -0.86 0.43 -2.23 0.00 0.00 178.31 176.00 2bbn n SER 17 N -3.44 0.64 -0.10 0.41 7.64 0.21 -3.87 113.62 115.11 2bbn n SER 17 Ca 0.00 -0.30 -0.15 0.00 1.01 0.00 0.00 58.87 59.43 2bbn n SER 17 Cb 0.52 0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 64.29 2bbn n SER 17 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bbn n LEU 18 N -1.80 1.90 0.03 -3.43 7.94 0.37 -4.64 117.00 117.37 2bbn n LEU 18 Ca 0.03 0.42 -0.03 0.00 -1.11 0.00 0.00 56.01 55.32 2bbn n LEU 18 Cb 0.40 -0.83 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 2bbn n LEU 18 CO 0.39 -0.02 0.50 0.15 -1.11 0.00 0.00 177.39 177.30 2bbn h PHE 19 N -1.00 -0.29 -0.64 1.96 3.04 -1.16 -3.27 116.94 115.57 2bbn h PHE 19 Ca -0.23 0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.43 2bbn h PHE 19 Cb 1.08 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.67 2bbn h PHE 19 CO -0.21 -0.12 0.81 0.34 -2.02 0.00 0.00 178.31 177.11 2bbn s ASP 20 N -2.84 5.09 -0.09 0.41 -1.08 -1.25 -4.72 116.67 112.19 2bbn s ASP 20 Ca -0.03 -0.93 0.07 0.00 -0.52 0.00 0.00 52.55 51.14 2bbn s ASP 20 Cb 0.01 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.27 2bbn s ASP 20 CO 0.12 -2.86 1.12 2.29 0.52 0.00 0.00 175.17 176.36 2bbn n LYS 21 N 8.70 2.60 0.00 4.34 2.85 -1.24 -4.37 118.16 131.04 2bbn n LYS 21 Ca 0.41 -1.42 0.00 0.00 -1.05 0.00 0.00 58.31 56.25 2bbn n LYS 21 Cb 0.47 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2bbn n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2bbn n ASP 22 N 0.34 0.00 0.00 -5.58 5.75 -1.26 -5.03 116.55 110.77 2bbn n ASP 22 Ca 0.13 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 2bbn n ASP 22 Cb 0.60 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2bbn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 23 N 1.88 0.00 0.00 6.12 0.00 -1.26 -5.03 105.19 106.90 2bbn n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bbn n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bbn n ASP 24 N 0.00 3.49 -2.24 1.61 5.75 -1.26 -5.06 116.55 118.83 2bbn n ASP 24 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.71 2bbn n ASP 24 Cb 0.00 0.42 0.04 0.00 -1.03 0.00 0.00 41.12 40.55 2bbn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bbn n GLY 25 N 2.14 -0.00 3.61 6.12 0.00 -1.26 -5.06 105.19 110.74 2bbn n GLY 25 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.17 -0.40 -0.42 2.61 -4.23 -1.26 -4.78 115.64 103.98 2bbn s THR 26 Ca 0.14 0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.40 2bbn s THR 26 Cb -0.02 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.88 2bbn s THR 26 CO 0.34 0.00 0.95 -0.63 -0.54 0.00 0.00 174.62 174.75 2bbn s ILE 27 N 2.13 4.49 0.00 2.99 1.01 -1.16 -4.75 121.20 125.91 2bbn s ILE 27 Ca -0.08 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.57 2bbn s ILE 27 Cb -0.08 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.98 2bbn s ILE 27 CO -0.19 -0.73 0.00 0.35 0.00 0.00 0.00 174.94 174.37 2bbn n THR 28 N 6.28 0.00 0.17 2.92 -2.24 -1.26 -3.32 114.28 116.82 2bbn n THR 28 Ca 0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 2bbn n THR 28 Cb 0.48 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.25 2bbn n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2bbn h THR 29 N 0.69 1.06 0.43 4.28 1.35 -1.93 0.47 112.91 119.25 2bbn h THR 29 Ca 0.00 -0.18 -0.02 0.00 -0.55 0.00 0.00 66.41 65.65 2bbn h THR 29 Cb 0.00 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2bbn h THR 29 CO 0.00 0.07 -0.21 0.50 -0.25 0.00 0.00 175.52 175.63 2bbn h LYS 30 N 0.18 -0.55 -0.65 4.72 3.64 -1.95 0.46 116.57 122.42 2bbn h LYS 30 Ca 0.05 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2bbn h LYS 30 Cb 0.05 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2bbn h LYS 30 CO -0.01 -0.37 0.41 0.93 -2.27 0.00 0.00 179.45 178.15 2bbn h GLU 31 N -0.96 0.87 -0.12 1.90 3.07 -1.83 0.42 114.58 117.93 2bbn h GLU 31 Ca -0.06 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.62 2bbn h GLU 31 Cb 0.44 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2bbn h GLU 31 CO 0.10 0.59 -0.46 1.25 -1.40 0.00 0.00 179.01 179.09 2bbn h LEU 32 N 0.89 0.32 0.09 1.33 6.46 -0.08 -2.66 115.31 121.66 2bbn h LEU 32 Ca 0.24 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2bbn h LEU 32 Cb -0.07 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2bbn h LEU 32 CO -0.05 0.74 -0.04 1.23 -0.62 0.00 0.00 178.44 179.70 2bbn h GLY 33 N 1.25 -0.12 -0.70 3.75 0.00 0.13 -0.43 103.07 106.95 2bbn h GLY 33 Ca 0.02 0.05 0.31 0.00 0.00 0.00 0.00 47.33 47.70 2bbn h GLY 33 CO 0.07 -0.04 0.35 0.00 0.00 0.00 0.00 176.54 176.92 2bbn h THR 34 N -0.31 0.18 0.00 4.70 1.03 -1.09 0.73 112.91 118.14 2bbn h THR 34 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2bbn h THR 34 Cb 0.09 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.19 2bbn h THR 34 CO 0.02 0.03 0.00 0.52 -0.01 0.00 0.00 175.52 176.08 2bbn n VAL 35 N -5.24 0.00 -0.24 0.00 0.31 -1.00 -2.38 118.33 109.77 2bbn n VAL 35 Ca 0.28 0.41 0.31 0.00 -0.01 0.00 0.00 64.34 65.33 2bbn n VAL 35 Cb 0.92 -1.05 0.54 0.00 -0.91 0.00 0.00 33.84 33.35 2bbn n VAL 35 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2bbn h MET 36 N 0.00 0.00 -0.02 5.55 -1.53 -0.92 0.86 114.93 118.88 2bbn h MET 36 Ca 0.00 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 2bbn h MET 36 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 2bbn h MET 36 CO 0.00 0.00 -0.09 -0.09 0.14 0.00 0.00 176.91 176.87 2bbn h ARG 37 N 0.00 0.09 -0.63 0.39 2.43 0.39 0.43 114.38 117.47 2bbn h ARG 37 Ca 0.51 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2bbn h ARG 37 Cb 2.76 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 32.33 2bbn h ARG 37 CO -0.01 0.75 0.00 0.45 -1.51 0.00 0.00 179.97 179.66 2bbn n SER 38 N -4.67 0.63 0.00 -3.80 2.88 0.29 -1.01 113.62 107.95 2bbn n SER 38 Ca -0.09 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 2bbn n SER 38 Cb 0.39 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2bbn n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbn n LEU 39 N -0.15 0.00 -0.97 2.46 7.94 -0.63 -4.94 117.00 120.71 2bbn n LEU 39 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2bbn n LEU 39 Cb 0.16 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.10 2bbn n LEU 39 CO 0.00 0.00 0.19 0.61 -1.11 0.00 0.00 177.39 177.08 2bbn n GLY 40 N 1.77 -0.04 1.46 -3.96 0.00 0.14 -5.05 105.19 99.50 2bbn n GLY 40 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2bbn n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2bbn n GLN 41 N -0.13 -4.01 -3.87 1.61 -0.06 -0.18 -4.86 117.38 105.89 2bbn n GLN 41 Ca -0.10 3.05 -0.35 0.00 -2.00 0.00 0.00 57.00 57.60 2bbn n GLN 41 Cb 0.47 -3.61 -0.09 0.00 -4.06 0.00 0.00 30.24 22.96 2bbn n GLN 41 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2bbn s ASN 42 N -4.26 5.92 0.33 1.69 2.47 -1.26 -4.36 114.94 115.47 2bbn s ASN 42 Ca 0.00 0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.44 2bbn s ASN 42 Cb 0.00 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 2bbn s ASN 42 CO 0.00 0.18 0.00 -0.81 -3.72 0.00 0.00 177.10 172.75 2bbn n PRO 43 N 3.53 0.04 -0.31 0.43 -0.04 -1.26 -4.96 135.00 132.43 2bbn n PRO 43 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 2bbn n PRO 43 Cb 0.52 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.27 2bbn n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bbn s THR 44 N -0.33 1.39 -0.24 0.52 -4.23 -1.26 -4.97 115.64 106.52 2bbn s THR 44 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 2bbn s THR 44 Cb 0.00 -2.00 -0.16 0.00 1.34 0.00 0.00 72.50 71.68 2bbn s THR 44 CO 0.00 0.00 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.43 2bbn n GLU 45 N -5.58 0.58 -0.08 3.99 1.02 -1.26 -3.78 120.64 115.53 2bbn n GLU 45 Ca 0.09 0.44 -0.06 0.00 -0.02 0.00 0.00 57.16 57.61 2bbn n GLU 45 Cb 0.58 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 -0.71 0.11 0.00 0.62 0.00 -2.01 0.29 119.26 117.56 2bbn h ALA 46 Ca -0.51 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bbn h ALA 46 Cb 1.44 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2bbn h ALA 46 CO -0.30 -0.53 -0.01 0.93 0.00 0.00 0.00 179.25 179.34 2bbn h GLU 47 N -0.09 0.00 -0.10 0.00 5.08 -1.97 -2.00 114.58 115.49 2bbn h GLU 47 Ca 0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2bbn h GLU 47 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2bbn h GLU 47 CO -0.37 0.01 -0.30 1.25 -1.00 0.00 0.00 179.01 178.59 2bbn h LEU 48 N 0.00 0.43 -1.06 1.33 5.85 -0.54 -2.58 115.31 118.75 2bbn h LEU 48 Ca -0.00 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 2bbn h LEU 48 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2bbn h LEU 48 CO 0.00 0.97 0.49 -0.61 -0.34 0.00 0.00 178.44 178.95 2bbn h GLN 49 N -0.07 1.14 -0.24 1.25 4.15 -0.70 -1.82 115.11 118.82 2bbn h GLN 49 Ca -0.01 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2bbn h GLN 49 Cb 0.93 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2bbn h GLN 49 CO 0.06 0.81 0.09 -0.44 -1.93 0.00 0.00 178.83 177.42 2bbn h ASP 50 N 1.16 0.34 0.08 -0.69 5.19 -1.48 -2.10 116.42 118.91 2bbn h ASP 50 Ca 0.30 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 2bbn h ASP 50 Cb -0.03 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 2bbn h ASP 50 CO -0.05 0.43 -0.05 0.24 -3.12 0.00 0.00 179.24 176.68 2bbn h MET 51 N 0.24 0.00 -0.12 3.56 2.86 -1.08 -1.52 114.93 118.87 2bbn h MET 51 Ca 0.08 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.55 2bbn h MET 51 Cb 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2bbn h MET 51 CO -0.01 0.05 -0.65 0.97 1.06 0.00 0.00 176.91 178.34 2bbn h ILE 52 N 0.00 1.35 -0.06 -1.22 2.10 -0.70 -3.09 117.51 115.89 2bbn h ILE 52 Ca -0.00 -1.98 -0.13 0.00 1.08 0.00 0.00 64.86 63.83 2bbn h ILE 52 Cb 0.11 1.96 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 2bbn h ILE 52 CO 0.01 0.60 -0.55 -1.13 -1.08 0.00 0.00 178.15 176.00 2bbn h ASN 53 N 0.34 0.21 -0.96 2.19 -0.00 -0.73 0.13 115.58 116.75 2bbn h ASN 53 Ca -0.01 -0.11 0.28 0.00 -0.00 0.00 0.00 56.30 56.46 2bbn h ASN 53 Cb 1.20 -0.06 -0.14 0.00 -0.00 0.00 0.00 38.32 39.32 2bbn h ASN 53 CO 0.11 0.72 0.47 -0.08 -0.00 0.00 0.00 177.43 178.65 2bbn h GLU 54 N 0.15 0.33 0.00 6.67 4.57 -1.34 -2.84 114.58 122.11 2bbn h GLU 54 Ca -0.00 -0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 57.89 2bbn h GLU 54 Cb 1.02 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.48 2bbn h GLU 54 CO 0.08 0.22 -2.04 1.33 -1.18 0.00 0.00 179.01 177.42 2bbn n VAL 55 N -5.08 1.04 -2.21 0.32 0.24 -1.17 -4.78 118.33 106.69 2bbn n VAL 55 Ca 0.27 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.34 61.78 2bbn n VAL 55 Cb 0.84 -0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 32.19 2bbn n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bbn s ASP 56 N -5.47 5.56 0.09 -1.34 2.15 0.44 -4.60 116.67 113.49 2bbn s ASP 56 Ca -0.19 -1.66 0.23 0.00 0.43 0.00 0.00 52.55 51.36 2bbn s ASP 56 Cb 0.06 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2bbn s ASP 56 CO 0.48 -2.49 0.95 0.00 -0.17 0.00 0.00 175.17 173.95 2bbn n ALA 57 N 12.58 2.99 0.35 3.66 0.00 -1.26 -4.32 120.51 134.52 2bbn n ALA 57 Ca 0.44 -0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 2bbn n ALA 57 Cb 0.47 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 2bbn n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bbn h ASP 58 N 0.00 -0.73 0.00 0.00 3.32 -1.95 -3.47 116.42 113.59 2bbn h ASP 58 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2bbn h ASP 58 Cb 0.86 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2bbn h ASP 58 CO 0.00 -0.52 0.00 0.61 -1.72 0.00 0.00 179.24 177.61 2bbn n GLY 59 N -1.46 1.24 0.10 2.75 0.00 -1.26 -4.95 105.19 101.61 2bbn n GLY 59 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.20 0.00 1.61 4.13 -1.26 -4.68 115.26 115.26 2bbn n ASN 60 Ca 0.00 0.43 0.00 0.00 1.68 0.00 0.00 54.58 56.69 2bbn n ASN 60 Cb 0.00 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 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 -1.27 0.78 3.44 7.41 0.00 -1.26 -4.88 105.19 109.40 2bbn n GLY 61 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.03 0.00 -0.22 2.61 -4.23 -1.26 -4.92 115.64 105.59 2bbn s THR 62 Ca 0.00 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 2bbn s THR 62 Cb 0.00 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 2bbn s THR 62 CO 0.00 0.00 0.13 -0.63 -0.54 0.00 0.00 174.62 173.58 2bbn s ILE 63 N -3.50 5.23 0.00 2.99 1.01 -1.21 -4.97 121.20 120.75 2bbn s ILE 63 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2bbn s ILE 63 Cb 0.01 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2bbn s ILE 63 CO 0.17 0.39 0.00 0.47 0.00 0.00 0.00 174.94 175.97 2bbn n ASP 64 N 4.02 0.00 -0.08 3.58 9.92 -1.26 -2.98 116.55 129.75 2bbn n ASP 64 Ca -0.16 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.98 2bbn n ASP 64 Cb 0.52 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.00 -0.81 1.24 0.04 -1.97 -3.06 116.94 112.38 2bbn h PHE 65 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 2bbn h PHE 65 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2bbn h PHE 65 CO 0.00 0.82 0.53 -1.35 -0.60 0.00 0.00 178.31 177.71 2bbn h PRO 66 N -1.00 1.04 0.56 1.51 0.11 -1.99 -1.98 132.00 130.25 2bbn h PRO 66 Ca -0.13 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 2bbn h PRO 66 Cb 0.85 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.73 2bbn h PRO 66 CO -0.08 0.69 -0.27 0.93 -0.21 0.00 0.00 178.00 179.06 2bbn h GLU 67 N 1.07 -0.72 -0.58 1.05 5.08 -1.95 -1.47 114.58 117.05 2bbn h GLU 67 Ca 0.30 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 2bbn h GLU 67 Cb -0.09 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 2bbn h GLU 67 CO -0.08 -0.48 -0.53 0.35 -1.00 0.00 0.00 179.01 177.26 2bbn h PHE 68 N -1.02 -1.67 -0.50 4.33 3.04 -1.51 0.74 116.94 120.35 2bbn h PHE 68 Ca -0.08 0.09 0.09 0.00 3.98 0.00 0.00 57.97 62.06 2bbn h PHE 68 Cb 0.58 0.80 -0.07 0.00 2.56 0.00 0.00 35.95 39.82 2bbn h PHE 68 CO 0.03 -0.42 0.08 -0.07 -2.02 0.00 0.00 178.31 175.91 2bbn h LEU 69 N -0.24 -0.04 -1.78 0.59 3.38 -1.44 0.11 115.31 115.88 2bbn h LEU 69 Ca 0.10 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2bbn h LEU 69 Cb 0.50 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2bbn h LEU 69 CO -0.67 0.00 -0.15 0.74 0.09 0.00 0.00 178.44 178.45 2bbn h THR 70 N 0.21 0.66 -0.14 0.22 2.02 0.11 -2.29 112.91 113.70 2bbn h THR 70 Ca 0.25 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2bbn h THR 70 Cb 0.35 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2bbn h THR 70 CO -0.35 0.15 0.01 -0.03 0.37 0.00 0.00 175.52 175.66 2bbn h MET 71 N 0.00 0.24 -0.20 6.66 1.85 0.31 0.13 114.93 123.91 2bbn h MET 71 Ca -0.00 -0.07 -0.14 0.00 -0.61 0.00 0.00 59.70 58.87 2bbn h MET 71 Cb 0.39 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 2bbn h MET 71 CO 0.02 0.46 -0.48 0.52 -0.40 0.00 0.00 176.91 177.03 2bbn h MET 72 N -0.02 0.53 -0.00 0.39 2.86 -1.24 -2.70 114.93 114.75 2bbn h MET 72 Ca 0.04 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2bbn h MET 72 Cb 0.35 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2bbn h MET 72 CO 0.01 0.89 -0.05 0.00 1.06 0.00 0.00 176.91 178.82 2bbn n ALA 73 N -2.51 2.61 -0.75 6.32 0.00 -0.88 -4.28 120.51 121.02 2bbn n ALA 73 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2bbn n ALA 73 Cb 0.56 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.18 0.00 -1.69 0.00 3.00 0.45 -4.99 116.66 112.25 2bbn n ARG 74 Ca 0.14 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 2bbn n ARG 74 Cb 0.26 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.59 2bbn n ARG 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2bbn n LYS 75 N -1.00 -4.64 -3.46 -0.14 5.02 -1.26 -4.93 118.16 107.75 2bbn n LYS 75 Ca 0.00 3.50 -0.27 0.00 -2.02 0.00 0.00 58.31 59.53 2bbn n LYS 75 Cb 0.00 -4.09 -0.03 0.00 -0.02 0.00 0.00 35.03 30.89 2bbn n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2bbn s MET 76 N -4.18 3.56 0.00 1.97 -1.94 -1.26 -4.97 119.30 112.47 2bbn s MET 76 Ca 0.00 -0.19 0.28 0.00 -1.71 0.00 0.00 55.69 54.06 2bbn s MET 76 Cb 0.00 -2.71 1.34 0.00 2.01 0.00 0.00 34.83 35.47 2bbn s MET 76 CO 0.00 0.25 1.93 0.36 -0.01 0.00 0.00 175.02 177.55 2bbn n LYS 77 N -1.09 0.29 0.00 2.03 2.85 -1.26 -4.72 118.16 116.26 2bbn n LYS 77 Ca -0.03 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2bbn n LYS 77 Cb 0.54 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 2bbn n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2bbn n ASP 78 N -1.34 0.00 -4.72 -5.58 -0.08 -1.26 -5.03 116.55 98.54 2bbn n ASP 78 Ca 0.11 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.04 2bbn n ASP 78 Cb 0.25 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.62 2bbn n ASP 78 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2bbn s THR 79 N 0.00 4.55 -0.12 5.18 -4.23 -1.26 -5.09 115.64 114.66 2bbn s THR 79 Ca 0.00 -0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.21 2bbn s THR 79 Cb 0.00 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 2bbn s THR 79 CO 0.00 0.61 0.33 -0.62 -0.54 0.00 0.00 174.62 174.40 2bbn s ASP 80 N -0.92 6.53 0.16 3.99 2.15 -1.26 -4.99 116.67 122.33 2bbn s ASP 80 Ca 0.14 0.63 0.04 0.00 0.43 0.00 0.00 52.55 53.78 2bbn s ASP 80 Cb -0.11 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.27 2bbn s ASP 80 CO 0.03 0.14 0.22 -0.55 -0.17 0.00 0.00 175.17 174.84 2bbn s SER 81 N 0.12 5.99 -0.23 -0.34 0.15 -1.26 -4.99 113.70 113.14 2bbn s SER 81 Ca 0.19 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.91 2bbn s SER 81 Cb -0.14 -1.71 0.41 0.00 -1.71 0.00 0.00 66.02 62.88 2bbn s SER 81 CO 0.06 0.05 1.46 -0.62 1.20 0.00 0.00 173.24 175.40 2bbn n GLU 82 N -0.50 2.10 -0.00 5.44 -0.58 -1.26 -4.27 120.64 121.58 2bbn n GLU 82 Ca -0.08 -1.78 -0.14 0.00 -0.42 0.00 0.00 57.16 54.75 2bbn n GLU 82 Cb 0.54 -1.75 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 2bbn n GLU 82 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bbn h GLU 83 N 1.00 0.65 -0.86 3.49 5.08 -1.99 -2.68 114.58 119.27 2bbn h GLU 83 Ca 0.28 -0.50 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2bbn h GLU 83 Cb 1.92 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 31.20 2bbn h GLU 83 CO 0.56 1.12 0.51 0.93 -1.00 0.00 0.00 179.01 181.13 2bbn h GLU 84 N 0.45 0.84 -0.25 2.33 5.08 -2.01 0.12 114.58 121.14 2bbn h GLU 84 Ca -0.03 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 2bbn h GLU 84 Cb 1.31 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2bbn h GLU 84 CO 0.14 0.56 -0.48 0.82 -1.00 0.00 0.00 179.01 179.04 2bbn h ILE 85 N 0.87 1.29 -0.39 3.13 5.03 -1.87 -2.74 117.51 122.84 2bbn h ILE 85 Ca 0.41 -1.68 -0.00 0.00 -0.12 0.00 0.00 64.86 63.46 2bbn h ILE 85 Cb 0.33 1.72 -0.02 0.00 -3.03 0.00 0.00 36.82 35.83 2bbn h ILE 85 CO -0.23 0.54 0.24 0.03 -0.68 0.00 0.00 178.15 178.05 2bbn h ARG 86 N 0.52 0.52 0.56 2.37 3.08 -0.98 -0.57 114.38 119.87 2bbn h ARG 86 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2bbn h ARG 86 Cb 1.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2bbn h ARG 86 CO 0.11 0.38 -0.47 1.49 -1.07 0.00 0.00 179.97 180.41 2bbn h GLU 87 N 0.51 -0.97 -1.01 0.04 4.57 -0.80 0.79 114.58 117.71 2bbn h GLU 87 Ca 0.14 0.07 0.18 0.00 -1.18 0.00 0.00 59.36 58.57 2bbn h GLU 87 Cb -0.01 0.22 -0.11 0.00 -0.16 0.00 0.00 28.75 28.69 2bbn h GLU 87 CO -0.03 -0.65 0.61 0.00 -1.18 0.00 0.00 179.01 177.77 2bbn h ALA 88 N -0.81 1.66 -0.43 2.92 0.00 -1.38 0.18 119.26 121.39 2bbn h ALA 88 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2bbn h ALA 88 Cb 0.86 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2bbn h ALA 88 CO -0.01 -0.02 0.28 0.35 0.00 0.00 0.00 179.25 179.84 2bbn h PHE 89 N 0.79 0.55 -0.49 0.00 3.57 -0.29 -1.49 116.94 119.57 2bbn h PHE 89 Ca 0.57 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 62.03 2bbn h PHE 89 Cb 0.87 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2bbn h PHE 89 CO -0.00 0.35 0.08 -0.09 -2.23 0.00 0.00 178.31 176.42 2bbn h ARG 90 N 0.58 0.76 0.67 1.11 2.43 0.16 -2.72 114.38 117.38 2bbn h ARG 90 Ca 0.16 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2bbn h ARG 90 Cb -0.06 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2bbn h ARG 90 CO -0.03 0.71 -0.32 0.28 -1.51 0.00 0.00 179.97 179.10 2bbn h VAL 91 N 0.73 0.00 -0.95 0.20 2.07 -0.25 -2.84 116.25 115.21 2bbn h VAL 91 Ca 0.16 -0.04 0.30 0.00 0.82 0.00 0.00 66.70 67.94 2bbn h VAL 91 Cb 0.32 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.94 2bbn h VAL 91 CO 0.00 0.00 0.38 -0.26 0.02 0.00 0.00 177.57 177.72 2bbn h PHE 92 N -0.94 0.60 -3.03 1.57 0.04 -1.28 -2.94 116.94 110.96 2bbn h PHE 92 Ca -0.09 0.05 -0.75 0.00 2.80 0.00 0.00 57.97 59.97 2bbn h PHE 92 Cb 0.69 -0.11 -0.22 0.00 2.20 0.00 0.00 35.95 38.51 2bbn h PHE 92 CO 0.07 -0.26 0.65 0.34 -0.60 0.00 0.00 178.31 178.51 2bbn s ASP 93 N -4.93 6.92 0.52 2.17 2.15 -1.03 -4.82 116.67 117.64 2bbn s ASP 93 Ca -0.11 -2.78 0.40 0.00 0.43 0.00 0.00 52.55 50.49 2bbn s ASP 93 Cb 0.29 -2.30 1.58 0.00 -0.30 0.00 0.00 42.92 42.19 2bbn s ASP 93 CO 0.78 -0.68 1.67 0.50 -0.17 0.00 0.00 175.17 177.27 2bbn h LYS 94 N 7.69 0.04 -6.50 4.34 1.63 -1.62 -3.39 116.57 118.77 2bbn h LYS 94 Ca 0.18 -0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.45 2bbn h LYS 94 Cb 0.96 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.55 2bbn h LYS 94 CO 1.01 0.03 -0.05 -0.51 -3.45 0.00 0.00 179.45 176.47 2bbn s ASP 95 N -4.49 6.70 0.00 4.20 1.01 -1.26 -4.93 116.67 117.91 2bbn s ASP 95 Ca -0.06 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.25 2bbn s ASP 95 Cb 0.26 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.92 2bbn s ASP 95 CO 0.85 -0.08 1.21 0.61 0.21 0.00 0.00 175.17 177.97 2bbn n GLY 96 N -0.04 1.78 0.00 0.21 0.00 -1.26 -4.16 105.19 101.73 2bbn n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.31 0.00 0.00 1.61 5.03 -1.26 -5.05 115.26 116.90 2bbn n ASN 97 Ca 0.00 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2bbn n ASN 97 Cb 0.36 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 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 2.40 -0.02 3.59 7.41 0.00 -1.26 -5.10 105.19 112.21 2bbn n GLY 98 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2bbn n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bbn s PHE 99 N -0.61 3.12 0.13 1.61 -0.71 -1.26 -4.27 117.98 115.99 2bbn s PHE 99 Ca 0.00 -0.05 -0.08 0.00 -1.04 0.00 0.00 56.93 55.76 2bbn s PHE 99 Cb 0.00 -1.93 -0.06 0.00 -1.21 0.00 0.00 43.02 39.82 2bbn s PHE 99 CO 0.00 0.18 0.42 0.42 -1.34 0.00 0.00 175.22 174.90 2bbn s ILE 100 N -0.06 5.09 0.27 -4.49 1.01 -1.16 -4.95 121.20 116.92 2bbn s ILE 100 Ca 0.03 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2bbn s ILE 100 Cb -0.13 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2bbn s ILE 100 CO 0.02 0.12 0.09 -0.24 0.00 0.00 0.00 174.94 174.93 2bbn n SER 101 N 0.38 1.28 0.20 3.58 2.88 -1.26 -3.29 113.62 117.39 2bbn n SER 101 Ca -0.04 -2.43 -0.12 0.00 -1.33 0.00 0.00 58.87 54.96 2bbn n SER 101 Cb 0.52 0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 64.56 2bbn n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bbn h ALA 102 N 1.42 -0.57 0.11 -1.46 0.00 -1.99 -3.02 119.26 113.75 2bbn h ALA 102 Ca -0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2bbn h ALA 102 Cb 0.80 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2bbn h ALA 102 CO 0.34 -0.59 -0.05 0.00 0.00 0.00 0.00 179.25 178.95 2bbn h ALA 103 N -0.82 -0.15 -0.06 0.00 0.00 -1.98 -1.22 119.26 115.04 2bbn h ALA 103 Ca -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2bbn h ALA 103 Cb 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2bbn h ALA 103 CO 0.10 -0.51 -0.05 1.49 0.00 0.00 0.00 179.25 180.27 2bbn h GLU 104 N -0.29 -0.02 0.33 0.00 4.81 -1.98 -1.16 114.58 116.26 2bbn h GLU 104 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2bbn h GLU 104 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2bbn h GLU 104 CO 0.02 -0.01 -0.24 1.25 -0.73 0.00 0.00 179.01 179.30 2bbn h LEU 105 N -0.02 -0.63 -1.13 1.64 5.85 -1.59 -1.38 115.31 118.05 2bbn h LEU 105 Ca 0.01 0.05 0.32 0.00 0.84 0.00 0.00 57.88 59.10 2bbn h LEU 105 Cb 0.05 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2bbn h LEU 105 CO -0.07 -0.37 1.24 -0.09 -0.34 0.00 0.00 178.44 178.80 2bbn h ARG 106 N -0.57 0.00 0.00 1.25 2.43 -0.79 0.27 114.38 116.97 2bbn h ARG 106 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2bbn h ARG 106 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2bbn h ARG 106 CO -0.00 0.00 -0.06 1.25 -1.51 0.00 0.00 179.97 179.64 2bbn h HIS 107 N 0.00 0.00 -0.66 2.20 2.76 -0.07 -2.51 115.15 116.86 2bbn h HIS 107 Ca 0.53 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.84 2bbn h HIS 107 Cb 2.99 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 31.91 2bbn h HIS 107 CO 0.00 0.00 0.45 -0.24 -1.30 0.00 0.00 177.93 176.84 2bbn h VAL 108 N -0.32 0.79 -0.09 5.26 3.04 -1.06 -1.07 116.25 122.80 2bbn h VAL 108 Ca 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 66.70 65.49 2bbn h VAL 108 Cb 0.06 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2bbn h VAL 108 CO 0.00 0.05 -0.35 -0.03 -1.01 0.00 0.00 177.57 176.23 2bbn h MET 109 N 0.28 0.40 -1.06 4.17 -1.53 -0.67 -3.09 114.93 113.42 2bbn h MET 109 Ca 0.32 -0.31 0.28 0.00 -3.44 0.00 0.00 59.70 56.56 2bbn h MET 109 Cb 0.86 0.06 -0.11 0.00 -0.55 0.00 0.00 31.60 31.86 2bbn h MET 109 CO -0.08 0.94 0.66 1.15 0.14 0.00 0.00 176.91 179.72 2bbn h THR 110 N -0.06 0.46 -0.46 -0.77 2.02 -0.73 0.87 112.91 114.25 2bbn h THR 110 Ca -0.02 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 2bbn h THR 110 Cb 0.99 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2bbn h THR 110 CO 0.07 0.07 -0.05 0.78 0.37 0.00 0.00 175.52 176.77 2bbn h ASN 111 N 0.40 0.77 -2.47 4.18 2.35 -1.42 -2.87 115.58 116.52 2bbn h ASN 111 Ca 0.65 -0.21 -0.81 0.00 -0.55 0.00 0.00 56.30 55.38 2bbn h ASN 111 Cb 1.56 -0.21 -0.27 0.00 0.05 0.00 0.00 38.32 39.45 2bbn h ASN 111 CO -0.39 0.87 0.95 0.18 -1.65 0.00 0.00 177.43 177.39 2bbn n LEU 112 N -4.19 7.06 0.00 1.61 4.77 0.30 -4.66 117.00 121.89 2bbn n LEU 112 Ca 0.02 -5.33 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 2bbn n LEU 112 Cb 0.33 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2bbn n LEU 112 CO 0.42 1.93 0.00 0.61 -1.33 0.00 0.00 177.39 179.02 2bbn n GLY 113 N 0.40 1.08 0.05 -0.72 0.00 -1.17 -4.93 105.19 99.89 2bbn n GLY 113 Ca 0.40 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2bbn n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bbn n GLU 114 N 0.00 0.05 -0.22 1.61 1.02 -1.09 -2.73 120.64 119.29 2bbn n GLU 114 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2bbn n GLU 114 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2bbn n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2bbn n LYS 115 N -1.74 0.81 -3.75 3.49 4.81 -1.26 -4.56 118.16 115.96 2bbn n LYS 115 Ca -0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2bbn n LYS 115 Cb 0.03 -1.10 -0.15 0.00 0.02 0.00 0.00 35.03 33.83 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 0.00 1.96 0.00 3.14 1.43 -1.10 -5.07 118.68 119.04 2bbn s LEU 116 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 2bbn s LEU 116 Cb 0.00 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.41 2bbn s LEU 116 CO 0.00 -0.37 0.00 0.35 0.23 0.00 0.00 176.35 176.56 2bbn n THR 117 N 4.89 0.00 0.00 5.49 -2.24 -1.26 -4.78 114.28 116.38 2bbn n THR 117 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2bbn n THR 117 Cb 0.43 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.00 0.00 -0.13 3.42 2.03 -1.26 -4.84 116.55 115.77 2bbn n ASP 118 Ca 0.00 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.50 2bbn n ASP 118 Cb 0.00 0.08 0.58 0.00 -0.72 0.00 0.00 41.12 41.06 2bbn n ASP 118 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2bbn h GLU 119 N 0.00 0.24 0.00 -0.67 5.08 -1.98 0.27 114.58 117.53 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 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2bbn h GLU 119 CO 0.00 0.16 0.00 -1.91 -1.00 0.00 0.00 179.01 176.26 2bbn n GLU 120 N -4.43 0.00 -0.22 2.33 4.07 -1.26 -1.93 120.64 119.20 2bbn n GLU 120 Ca 0.14 0.44 0.02 0.00 -0.06 0.00 0.00 57.16 57.70 2bbn n GLU 120 Cb 0.62 -1.32 0.13 0.00 -0.06 0.00 0.00 31.44 30.81 2bbn n GLU 120 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2bbn h VAL 121 N 0.00 0.68 -0.71 6.31 2.07 -1.84 -0.81 116.25 121.95 2bbn h VAL 121 Ca 0.00 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.54 2bbn h VAL 121 Cb 0.00 0.29 -0.14 0.00 -1.52 0.00 0.00 31.29 29.93 2bbn h VAL 121 CO 0.00 0.06 -0.19 -0.78 0.02 0.00 0.00 177.57 176.69 2bbn h ASP 122 N 0.35 -0.69 0.41 0.57 1.82 -0.51 0.88 116.42 119.26 2bbn h ASP 122 Ca 0.34 0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 57.16 2bbn h ASP 122 Cb 0.49 0.45 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 2bbn h ASP 122 CO -0.38 -0.24 -0.22 -0.08 -1.61 0.00 0.00 179.24 176.71 2bbn h GLU 123 N -0.01 0.00 0.11 0.28 4.57 -0.48 -1.56 114.58 117.49 2bbn h GLU 123 Ca 0.34 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 2bbn h GLU 123 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2bbn h GLU 123 CO -0.74 0.22 -0.05 0.52 -1.18 0.00 0.00 179.01 177.77 2bbn h MET 124 N 0.00 -0.15 -0.35 1.92 2.86 0.13 -2.78 114.93 116.57 2bbn h MET 124 Ca -0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2bbn h MET 124 Cb 0.48 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2bbn h MET 124 CO 0.03 0.32 0.15 0.82 1.06 0.00 0.00 176.91 179.29 2bbn h ILE 125 N -0.90 0.95 0.04 -1.22 2.04 -0.49 -2.03 117.51 115.90 2bbn h ILE 125 Ca -0.02 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2bbn h ILE 125 Cb 0.54 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2bbn h ILE 125 CO 0.03 0.06 -0.52 0.03 0.00 0.00 0.00 178.15 177.74 2bbn h ARG 126 N 0.32 -0.67 -0.81 2.37 2.47 -1.38 -1.26 114.38 115.41 2bbn h ARG 126 Ca 0.15 0.05 0.18 0.00 -1.26 0.00 0.00 59.98 59.10 2bbn h ARG 126 Cb 0.09 0.15 -0.11 0.00 -1.65 0.00 0.00 29.97 28.45 2bbn h ARG 126 CO -0.13 -0.44 0.28 1.49 0.56 0.00 0.00 179.97 181.73 2bbn h GLU 127 N -0.69 0.34 0.00 0.04 4.81 -1.26 -2.66 114.58 115.16 2bbn h GLU 127 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2bbn h GLU 127 Cb 0.73 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2bbn h GLU 127 CO -0.33 0.23 0.00 0.00 -0.73 0.00 0.00 179.01 178.17 2bbn n ALA 128 N -2.58 -0.10 -1.67 2.92 0.00 -0.49 -4.37 120.51 114.22 2bbn n ALA 128 Ca 0.18 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 53.03 2bbn n ALA 128 Cb 0.54 0.38 -0.08 0.00 0.00 0.00 0.00 19.45 20.29 2bbn n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bbn n ASP 129 N -2.66 1.72 -0.05 0.00 8.00 -1.00 -4.84 116.55 117.72 2bbn n ASP 129 Ca 0.00 1.12 -0.14 0.00 0.71 0.00 0.00 54.79 56.48 2bbn n ASP 129 Cb 0.00 -1.08 -0.14 0.00 -0.02 0.00 0.00 41.12 39.88 2bbn n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bbn n ILE 130 N 3.65 1.60 0.13 0.53 2.08 -1.26 -4.53 119.36 121.56 2bbn n ILE 130 Ca 0.25 -0.74 -0.06 0.00 0.56 0.00 0.00 62.75 62.76 2bbn n ILE 130 Cb 0.10 -1.17 -0.03 0.00 -0.75 0.00 0.00 39.64 37.79 2bbn n ILE 130 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2bbn h ASP 131 N 0.02 -0.34 0.00 4.38 3.04 -1.96 -3.48 116.42 118.08 2bbn h ASP 131 Ca -0.42 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2bbn h ASP 131 Cb 2.05 0.09 0.00 0.00 -1.04 0.00 0.00 39.33 40.43 2bbn h ASP 131 CO 0.05 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 2bbn n GLY 132 N 0.57 -0.06 0.00 7.15 0.00 -1.26 -5.12 105.19 106.47 2bbn n GLY 132 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2bbn n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bbn n ASP 133 N 0.00 0.00 0.00 1.61 9.92 -1.26 -5.08 116.55 121.74 2bbn n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2bbn n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2bbn n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bbn n GLY 134 N 2.66 1.39 3.99 0.44 0.00 -1.26 -5.14 105.19 107.27 2bbn n GLY 134 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2bbn n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bbn s GLN 135 N 0.00 2.44 0.22 1.61 0.00 -1.26 -4.60 119.66 118.06 2bbn s GLN 135 Ca 0.00 -1.61 0.06 0.00 -0.00 0.00 0.00 55.36 53.81 2bbn s GLN 135 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 33.01 30.43 2bbn s GLN 135 CO 0.00 -0.61 0.20 0.08 0.00 0.00 0.00 175.29 174.97 2bbn s VAL 136 N -2.59 4.60 0.33 3.63 1.01 -1.21 -4.80 120.40 121.37 2bbn s VAL 136 Ca 0.54 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2bbn s VAL 136 Cb -0.06 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2bbn s VAL 136 CO 0.33 -0.27 0.28 0.59 0.00 0.00 0.00 175.10 176.04 2bbn n ASN 137 N -0.94 -0.67 0.28 3.32 4.13 -1.26 -2.96 115.26 117.16 2bbn n ASN 137 Ca -0.08 -3.20 -0.15 0.00 1.68 0.00 0.00 54.58 52.83 2bbn n ASN 137 Cb 0.57 1.67 -0.08 0.00 -1.54 0.00 0.00 39.78 40.40 2bbn n ASN 137 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2bbn h TYR 138 N 2.07 -0.68 -0.45 3.10 5.03 -1.99 0.30 116.97 124.35 2bbn h TYR 138 Ca -0.24 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.15 2bbn h TYR 138 Cb 1.20 0.22 -0.09 0.00 1.55 0.00 0.00 36.73 39.62 2bbn h TYR 138 CO 0.00 -0.35 -0.15 1.49 -1.32 0.00 0.00 178.16 177.83 2bbn h GLU 139 N -0.98 -0.05 -0.53 1.82 4.22 -1.97 -0.06 114.58 117.02 2bbn h GLU 139 Ca -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 2bbn h GLU 139 Cb 0.63 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2bbn h GLU 139 CO 0.12 -0.03 0.12 0.93 -2.18 0.00 0.00 179.01 177.97 2bbn h GLU 140 N -0.05 0.86 -0.47 1.92 5.08 -1.96 -2.27 114.58 117.69 2bbn h GLU 140 Ca 0.22 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2bbn h GLU 140 Cb 0.38 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2bbn h GLU 140 CO -0.49 0.82 0.32 0.35 -1.00 0.00 0.00 179.01 179.01 2bbn h PHE 141 N 0.75 0.29 0.32 4.33 3.04 0.80 0.53 116.94 127.01 2bbn h PHE 141 Ca 0.17 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 2bbn h PHE 141 Cb 0.35 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.77 2bbn h PHE 141 CO 0.02 0.14 -0.15 0.28 -2.02 0.00 0.00 178.31 176.58 2bbn h VAL 142 N 0.28 0.15 -0.52 1.41 2.07 -0.55 -2.78 116.25 116.31 2bbn h VAL 142 Ca 0.21 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.14 2bbn h VAL 142 Cb 0.48 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2bbn h VAL 142 CO -0.04 0.04 0.53 0.74 0.02 0.00 0.00 177.57 178.85 2bbn h THR 143 N -1.08 0.37 0.42 2.57 2.02 -1.09 0.29 112.91 116.40 2bbn h THR 143 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2bbn h THR 143 Cb 0.40 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2bbn h THR 143 CO 0.07 0.00 -0.20 0.24 0.37 0.00 0.00 175.52 176.00 2bbn h MET 144 N 0.00 -0.55 -0.89 6.66 2.07 -0.82 -3.30 114.93 118.11 2bbn h MET 144 Ca 0.24 0.04 -0.61 0.00 -2.07 0.00 0.00 59.70 57.30 2bbn h MET 144 Cb 1.29 0.12 -0.33 0.00 -1.87 0.00 0.00 31.60 30.82 2bbn h MET 144 CO -0.00 -0.24 0.26 -1.33 1.07 0.00 0.00 176.91 176.67 2bbn n MET 145 N -5.20 2.96 -2.09 1.72 2.81 -0.41 -4.98 117.12 111.93 2bbn n MET 145 Ca -0.10 -3.58 -0.04 0.00 -1.81 0.00 0.00 57.70 52.18 2bbn n MET 145 Cb 0.29 -2.27 0.01 0.00 -0.71 0.00 0.00 33.22 30.54 2bbn n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2bbn n THR 146 N -0.86 0.00 -2.56 2.03 -1.04 0.87 -4.99 114.28 107.73 2bbn n THR 146 Ca 0.55 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.05 62.15 2bbn n THR 146 Cb 0.81 0.38 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 2bbn n THR 146 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2bbn n SER 147 N -1.29 -7.23 0.00 8.00 7.64 -1.26 -4.71 113.62 114.77 2bbn n SER 147 Ca -0.03 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2bbn n SER 147 Cb 0.22 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 58.65 2bbn n SER 147 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32