#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ban s ILE 4 N 0.00 4.46 -0.01 1.55 1.01 -1.26 -4.61 121.20 122.34 1ban s ILE 4 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 60.65 59.29 1ban s ILE 4 Cb 0.00 -4.89 0.01 0.00 0.01 0.00 0.00 42.46 37.59 1ban s ILE 4 CO 0.00 -1.67 0.71 -0.46 0.00 0.00 0.00 174.94 173.52 1ban n ASN 5 N 7.34 0.39 -4.89 3.58 6.94 -1.26 -4.77 115.26 122.58 1ban n ASN 5 Ca 0.28 -1.46 -0.32 0.00 -0.02 0.00 0.00 54.58 53.06 1ban n ASN 5 Cb 0.49 -0.07 -0.05 0.00 -2.36 0.00 0.00 39.78 37.80 1ban n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ban s THR 6 N -0.28 5.29 0.30 5.53 -4.23 -1.26 -0.57 115.64 120.42 1ban s THR 6 Ca 0.02 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 1ban s THR 6 Cb 0.01 -3.52 0.36 0.00 1.34 0.00 0.00 72.50 70.69 1ban s THR 6 CO 0.00 0.23 1.60 -0.26 -0.54 0.00 0.00 174.62 175.66 1ban h PHE 7 N 3.49 0.20 0.06 3.99 0.04 -1.97 0.70 116.94 123.43 1ban h PHE 7 Ca -0.47 0.06 -0.26 0.00 2.80 0.00 0.00 57.97 60.10 1ban h PHE 7 Cb 1.17 0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.40 1ban h PHE 7 CO 0.64 -0.34 -1.10 -0.44 -0.60 0.00 0.00 178.31 176.47 1ban h ASP 8 N 0.09 0.68 -0.12 2.17 3.32 -1.98 -1.99 116.42 118.59 1ban h ASP 8 Ca 0.60 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ban h ASP 8 Cb 1.27 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1ban h ASP 8 CO -0.79 1.41 0.03 1.23 -1.72 0.00 0.00 179.24 179.40 1ban h GLY 9 N 0.87 0.21 0.81 2.75 0.00 -1.22 0.52 103.07 107.01 1ban h GLY 9 Ca -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ban h GLY 9 CO 0.20 0.13 0.01 -2.08 0.00 0.00 0.00 176.54 174.80 1ban h VAL 10 N -0.01 1.17 -0.10 4.60 2.07 0.22 -1.53 116.25 122.68 1ban h VAL 10 Ca 0.04 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ban h VAL 10 Cb 0.26 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1ban h VAL 10 CO 0.00 0.14 0.06 0.00 0.02 0.00 0.00 177.57 177.79 1ban h ALA 11 N 0.81 0.12 -0.66 1.67 0.00 -1.37 0.33 119.26 120.16 1ban h ALA 11 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ban h ALA 11 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ban h ALA 11 CO -0.00 -0.35 0.44 -0.44 0.00 0.00 0.00 179.25 178.90 1ban h ASP 12 N 0.08 0.76 0.24 0.00 3.32 0.16 -2.31 116.42 118.67 1ban h ASP 12 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ban h ASP 12 Cb 0.05 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1ban h ASP 12 CO -0.01 0.55 -0.11 0.22 -1.72 0.00 0.00 179.24 178.17 1ban h TYR 13 N 0.89 -0.30 -0.99 4.55 5.03 -1.02 -0.07 116.97 125.06 1ban h TYR 13 Ca 0.24 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.68 1ban h TYR 13 Cb -0.09 0.10 -0.09 0.00 1.55 0.00 0.00 36.73 38.20 1ban h TYR 13 CO -0.00 -0.05 0.62 -0.07 -1.32 0.00 0.00 178.16 177.34 1ban h LEU 14 N -0.51 0.88 0.18 2.82 3.38 -0.06 0.27 115.31 122.29 1ban h LEU 14 Ca -0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ban h LEU 14 Cb 0.38 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ban h LEU 14 CO 0.05 0.44 -0.09 1.56 0.09 0.00 0.00 178.44 180.50 1ban h GLN 15 N 0.94 -0.24 0.00 1.13 4.20 -1.31 0.13 115.11 119.96 1ban h GLN 15 Ca 0.51 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 59.11 1ban h GLN 15 Cb 0.56 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1ban h GLN 15 CO -0.29 0.16 -0.59 1.79 -0.67 0.00 0.00 178.83 179.23 1ban h THR 16 N -0.90 1.31 0.00 -0.54 1.35 -0.61 -3.33 112.91 110.19 1ban h THR 16 Ca -0.03 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1ban h THR 16 Cb 0.50 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1ban h THR 16 CO 0.04 0.58 -1.01 -1.22 -0.25 0.00 0.00 175.52 173.65 1ban n TYR 17 N -3.67 0.00 -1.35 4.73 4.01 0.93 -4.99 117.16 116.82 1ban n TYR 17 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 1ban n TYR 17 Cb 0.62 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.52 1ban n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1ban n HIS 18 N -1.55 0.00 -3.87 -0.72 8.25 0.45 -4.93 115.22 112.84 1ban n HIS 18 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 1ban n HIS 18 Cb 0.31 -2.51 -0.06 0.00 1.12 0.00 0.00 29.99 28.84 1ban n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ban s LYS 19 N -2.91 1.13 0.45 -0.41 -2.85 -1.25 -5.05 119.74 108.84 1ban s LYS 19 Ca 0.00 -1.03 -0.22 0.00 -1.00 0.00 0.00 55.97 53.72 1ban s LYS 19 Cb 0.00 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1ban s LYS 19 CO 0.00 -0.42 1.02 -0.51 0.10 0.00 0.00 175.35 175.54 1ban s LEU 20 N -2.92 3.95 0.88 2.77 1.43 -1.26 -4.07 118.68 119.47 1ban s LEU 20 Ca 0.12 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 1ban s LEU 20 Cb 0.03 -4.44 0.12 0.00 0.03 0.00 0.00 46.19 41.92 1ban s LEU 20 CO -0.04 -0.60 1.10 -2.84 0.23 0.00 0.00 176.35 174.20 1ban s PRO 21 N -3.00 1.37 0.52 1.29 0.02 -1.26 -4.93 135.00 129.01 1ban s PRO 21 Ca 0.63 1.18 0.25 0.00 0.02 0.00 0.00 61.00 63.09 1ban s PRO 21 Cb -0.16 -1.79 1.37 0.00 0.02 0.00 0.00 34.50 33.93 1ban s PRO 21 CO 0.21 -2.27 1.97 0.38 -0.33 0.00 0.00 177.00 176.96 1ban h ASP 22 N -1.59 0.05 0.19 2.53 3.04 -1.95 -2.83 116.42 115.86 1ban h ASP 22 Ca -0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1ban h ASP 22 Cb 1.26 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1ban h ASP 22 CO 0.49 0.02 0.00 -0.46 -2.04 0.00 0.00 179.24 177.25 1ban n ASN 23 N -4.37 0.00 -4.80 4.15 6.94 -1.26 -4.85 115.26 111.07 1ban n ASN 23 Ca 0.12 -0.29 -0.29 0.00 -0.02 0.00 0.00 54.58 54.10 1ban n ASN 23 Cb 0.66 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.87 1ban n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1ban s TYR 24 N -2.30 3.21 0.06 -2.53 1.51 -1.07 -1.50 117.35 114.73 1ban s TYR 24 Ca 0.24 0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 56.27 1ban s TYR 24 Cb 0.13 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1ban s TYR 24 CO 0.26 0.53 0.19 0.96 -1.11 0.00 0.00 175.55 176.38 1ban s ILE 25 N -1.51 0.12 0.66 2.71 -4.36 -0.77 -4.88 121.20 113.17 1ban s ILE 25 Ca 0.30 -0.99 -0.11 0.00 -0.26 0.00 0.00 60.65 59.59 1ban s ILE 25 Cb -0.12 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 42.52 1ban s ILE 25 CO 0.23 -0.55 1.05 0.42 0.24 0.00 0.00 174.94 176.34 1ban s THR 26 N -3.02 4.07 0.36 8.37 -4.23 -1.25 -0.91 115.64 119.04 1ban s THR 26 Ca -0.02 0.63 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 1ban s THR 26 Cb 0.01 -3.66 0.11 0.00 1.34 0.00 0.00 72.50 70.30 1ban s THR 26 CO -0.06 -0.86 1.84 0.11 -0.54 0.00 0.00 174.62 175.10 1ban h LYS 27 N -0.46 0.00 -0.40 3.99 1.57 -1.97 -1.49 116.57 117.80 1ban h LYS 27 Ca -0.45 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.27 1ban h LYS 27 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1ban h LYS 27 CO 0.63 0.35 -0.02 0.66 -0.57 0.00 0.00 179.45 180.51 1ban h SER 28 N 0.00 0.71 -0.18 0.86 4.64 -1.99 0.33 113.55 117.93 1ban h SER 28 Ca -0.00 -0.32 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1ban h SER 28 Cb 0.65 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 1ban h SER 28 CO 0.05 0.86 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.45 1ban h GLU 29 N 0.55 -0.06 0.13 4.77 5.08 -1.89 -2.21 114.58 120.95 1ban h GLU 29 Ca 0.11 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1ban h GLU 29 Cb 0.50 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1ban h GLU 29 CO 0.02 -0.04 -0.25 0.00 -1.00 0.00 0.00 179.01 177.75 1ban h ALA 30 N 1.10 -0.42 -0.50 3.43 0.00 -1.19 -2.01 119.26 119.67 1ban h ALA 30 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1ban h ALA 30 Cb 0.21 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ban h ALA 30 CO -0.22 -0.78 0.33 1.96 0.00 0.00 0.00 179.25 180.54 1ban h GLN 31 N -0.46 0.49 -0.29 0.00 4.20 0.03 -2.16 115.11 116.92 1ban h GLN 31 Ca 0.03 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1ban h GLN 31 Cb 0.48 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1ban h GLN 31 CO -0.14 0.32 -0.20 0.00 -0.67 0.00 0.00 178.83 178.15 1ban h ALA 32 N 1.72 1.12 -0.22 3.87 0.00 -0.77 -3.07 119.26 121.90 1ban h ALA 32 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ban h ALA 32 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ban h ALA 32 CO -0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1ban n LEU 33 N -4.15 1.61 0.00 0.00 4.77 -0.87 -4.91 117.00 113.44 1ban n LEU 33 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1ban n LEU 33 Cb 0.38 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ban n LEU 33 CO 0.42 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1ban n GLY 34 N 0.67 0.80 3.72 -0.72 0.00 -1.16 -4.79 105.19 103.71 1ban n GLY 34 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1ban n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ban s TRP 35 N -2.10 3.07 -0.19 1.61 -0.00 -0.85 -4.99 118.94 115.49 1ban s TRP 35 Ca 0.00 0.68 0.01 0.00 -0.00 0.00 0.00 56.10 56.79 1ban s TRP 35 Cb 0.00 -3.90 0.04 0.00 -0.00 0.00 0.00 33.47 29.60 1ban s TRP 35 CO 0.00 -3.29 -0.14 0.08 -0.00 0.00 0.00 176.95 173.60 1ban s VAL 36 N 1.05 1.81 0.21 5.86 1.01 -1.26 -4.57 120.40 124.51 1ban s VAL 36 Ca 0.69 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1ban s VAL 36 Cb -0.43 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.30 1ban s VAL 36 CO 0.32 0.29 1.80 0.00 0.00 0.00 0.00 175.10 177.51 1ban h ALA 37 N 7.95 0.85 0.00 5.51 0.00 -2.00 -2.56 119.26 129.01 1ban h ALA 37 Ca -0.33 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ban h ALA 37 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ban h ALA 37 CO 0.53 0.01 0.05 0.77 0.00 0.00 0.00 179.25 180.60 1ban h SER 38 N 0.63 0.00 0.00 0.00 0.02 -2.03 -2.59 113.55 109.58 1ban h SER 38 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ban h SER 38 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ban h SER 38 CO -0.19 0.00 -1.54 0.29 -1.14 0.00 0.00 176.83 174.25 1ban n LYS 39 N -2.59 0.73 -3.60 3.45 4.01 -0.97 -5.02 118.16 114.17 1ban n LYS 39 Ca -0.02 -0.12 -0.22 0.00 -0.51 0.00 0.00 58.31 57.44 1ban n LYS 39 Cb 0.10 -1.40 0.07 0.00 -0.51 0.00 0.00 35.03 33.29 1ban n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ban n GLY 40 N 1.46 -0.46 1.55 0.72 0.00 -0.98 -4.95 105.19 102.53 1ban n GLY 40 Ca -0.01 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1ban n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ban n ASN 41 N -3.03 4.58 -0.33 1.61 6.94 -1.26 -3.87 115.26 119.91 1ban n ASN 41 Ca -0.11 -2.31 0.13 0.00 -0.02 0.00 0.00 54.58 52.27 1ban n ASN 41 Cb 0.60 -0.56 0.31 0.00 -2.36 0.00 0.00 39.78 37.77 1ban n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1ban h LEU 42 N 4.24 0.59 -1.81 -4.53 5.85 -1.88 -0.00 115.31 117.77 1ban h LEU 42 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1ban h LEU 42 Cb 1.33 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1ban h LEU 42 CO 0.16 0.16 -0.15 0.00 -0.34 0.00 0.00 178.44 178.28 1ban h ALA 43 N 1.66 1.49 -0.01 1.25 0.00 -1.86 0.24 119.26 122.02 1ban h ALA 43 Ca 0.56 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1ban h ALA 43 Cb 0.95 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ban h ALA 43 CO -0.43 0.19 -0.47 -0.44 0.00 0.00 0.00 179.25 178.09 1ban h ASP 44 N 0.00 0.44 1.00 0.00 5.19 -1.36 -3.04 116.42 118.64 1ban h ASP 44 Ca -0.00 -0.75 -0.10 0.00 -0.62 0.00 0.00 57.03 55.56 1ban h ASP 44 Cb 0.32 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1ban h ASP 44 CO 0.02 1.12 -1.06 -0.37 -3.12 0.00 0.00 179.24 175.84 1ban h VAL 45 N -0.21 0.38 -1.39 -1.35 -1.51 -1.41 -3.40 116.25 107.37 1ban h VAL 45 Ca -0.05 -1.68 -0.45 0.00 -1.23 0.00 0.00 66.70 63.29 1ban h VAL 45 Cb 1.18 1.94 -0.32 0.00 -2.13 0.00 0.00 31.29 31.97 1ban h VAL 45 CO 0.09 0.22 -0.93 0.00 -1.23 0.00 0.00 177.57 175.72 1ban n ALA 46 N -2.29 1.23 -1.56 5.19 0.00 0.84 -4.94 120.51 118.98 1ban n ALA 46 Ca -0.04 -2.79 -0.50 0.00 0.00 0.00 0.00 53.44 50.11 1ban n ALA 46 Cb 0.72 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 1ban n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ban n PRO 47 N 1.26 0.96 -1.57 0.00 -0.02 -1.15 -2.18 135.00 132.30 1ban n PRO 47 Ca 0.18 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.82 1ban n PRO 47 Cb 0.58 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 1ban n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ban n GLY 48 N 1.99 1.66 3.50 -1.23 0.00 -1.26 -4.98 105.19 104.87 1ban n GLY 48 Ca 0.16 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1ban n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ban s LYS 49 N -3.62 1.78 0.11 1.61 -0.14 -0.93 -4.82 119.74 113.74 1ban s LYS 49 Ca 0.00 -1.65 0.02 0.00 -1.36 0.00 0.00 55.97 52.98 1ban s LYS 49 Cb 0.00 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 1ban s LYS 49 CO 0.00 0.35 -0.06 -1.12 -0.76 0.00 0.00 175.35 173.76 1ban s SER 50 N -3.38 1.18 -0.04 2.83 0.01 -0.56 -4.82 113.70 108.92 1ban s SER 50 Ca 0.29 -1.02 -0.25 0.00 1.31 0.00 0.00 55.95 56.28 1ban s SER 50 Cb -0.06 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 1ban s SER 50 CO 0.15 -0.47 0.77 -0.63 0.41 0.00 0.00 173.24 173.48 1ban s ILE 51 N -3.61 4.98 -0.20 1.44 1.01 -1.26 -1.85 121.20 121.71 1ban s ILE 51 Ca 0.13 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 1ban s ILE 51 Cb 0.05 -4.11 0.15 0.00 0.01 0.00 0.00 42.46 38.56 1ban s ILE 51 CO -0.04 0.24 1.12 -0.83 0.00 0.00 0.00 174.94 175.43 1ban s GLY 52 N 0.78 -0.16 0.00 6.18 0.00 -0.09 -0.39 107.32 113.64 1ban s GLY 52 Ca 0.41 2.23 0.00 0.00 0.00 0.00 0.00 44.72 47.36 1ban s GLY 52 CO 0.21 1.01 0.00 0.61 0.00 0.00 0.00 173.10 174.93 1ban n GLY 53 N 0.59 0.79 3.82 0.20 0.00 0.11 -3.76 105.19 106.94 1ban n GLY 53 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1ban n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ban s ASP 54 N -1.61 6.72 0.04 1.61 1.01 -1.24 -4.83 116.67 118.37 1ban s ASP 54 Ca 0.00 1.71 -0.30 0.00 0.71 0.00 0.00 52.55 54.66 1ban s ASP 54 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1ban s ASP 54 CO 0.00 -0.52 1.21 -0.63 0.21 0.00 0.00 175.17 175.45 1ban s ILE 55 N -2.26 4.03 -0.21 0.77 1.01 -1.26 -0.77 121.20 122.50 1ban s ILE 55 Ca 0.62 1.44 -0.08 0.00 0.00 0.00 0.00 60.65 62.63 1ban s ILE 55 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1ban s ILE 55 CO 0.19 0.09 0.09 0.12 0.00 0.00 0.00 174.94 175.44 1ban s PHE 56 N 1.28 3.23 -0.18 3.97 5.36 0.11 -4.83 117.98 126.91 1ban s PHE 56 Ca 0.59 0.01 0.29 0.00 -0.96 0.00 0.00 56.93 56.85 1ban s PHE 56 Cb -0.29 -2.17 1.21 0.00 -0.34 0.00 0.00 43.02 41.42 1ban s PHE 56 CO 0.28 0.01 1.85 0.66 -1.46 0.00 0.00 175.22 176.56 1ban h SER 57 N 7.30 0.00 -6.77 6.13 4.64 -1.95 -3.37 113.55 119.54 1ban h SER 57 Ca -0.37 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.39 1ban h SER 57 Cb 1.17 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 1ban h SER 57 CO 0.66 0.00 -0.86 -3.20 -0.87 0.00 0.00 176.83 172.56 1ban n ASN 58 N -2.63 -2.41 -0.21 4.97 5.15 -1.26 -4.86 115.26 114.01 1ban n ASN 58 Ca 0.01 -1.05 -0.02 0.00 -0.60 0.00 0.00 54.58 52.93 1ban n ASN 58 Cb 0.25 -2.64 0.05 0.00 -0.53 0.00 0.00 39.78 36.91 1ban n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1ban h ARG 59 N -1.52 -0.06 -0.81 1.20 2.43 -2.00 -2.39 114.38 111.23 1ban h ARG 59 Ca -0.60 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.51 1ban h ARG 59 Cb 1.38 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.91 1ban h ARG 59 CO 0.76 -0.04 0.08 0.39 -1.51 0.00 0.00 179.97 179.66 1ban n GLU 60 N -5.44 2.94 -1.98 0.20 1.02 -1.26 -4.92 120.64 111.20 1ban n GLU 60 Ca 0.07 -1.81 -0.05 0.00 -0.02 0.00 0.00 57.16 55.34 1ban n GLU 60 Cb 0.34 -1.89 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1ban n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ban n GLY 61 N 0.18 -0.13 0.19 0.62 0.00 -0.90 -4.78 105.19 100.37 1ban n GLY 61 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1ban n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ban h LYS 62 N 0.00 0.00 -5.73 1.61 1.57 -1.91 -3.44 116.57 108.67 1ban h LYS 62 Ca -0.11 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.04 1ban h LYS 62 Cb 0.80 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.04 1ban h LYS 62 CO 0.14 0.36 -0.35 -0.51 -0.57 0.00 0.00 179.45 178.52 1ban s LEU 63 N -7.75 4.39 -0.50 2.94 1.43 -1.26 -5.00 118.68 112.93 1ban s LEU 63 Ca -0.02 0.64 -0.46 0.00 -1.03 0.00 0.00 54.13 53.26 1ban s LEU 63 Cb 0.13 -2.31 -0.20 0.00 0.03 0.00 0.00 46.19 43.84 1ban s LEU 63 CO 0.70 0.31 1.69 -2.65 0.23 0.00 0.00 176.35 176.63 1ban n PRO 64 N 2.27 0.01 -3.45 1.29 -0.02 -1.26 -4.92 135.00 128.92 1ban n PRO 64 Ca -0.16 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.06 1ban n PRO 64 Cb 0.53 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.49 1ban n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ban s GLY 65 N 3.49 1.60 -0.29 -1.23 0.00 -1.26 -5.08 107.32 104.56 1ban s GLY 65 Ca 1.07 -0.79 -0.26 0.00 0.00 0.00 0.00 44.72 44.74 1ban s GLY 65 CO 0.79 -0.72 1.37 1.25 0.00 0.00 0.00 173.10 175.79 1ban s LYS 66 N -3.85 0.13 -0.11 2.90 2.20 -1.26 -5.09 119.74 114.66 1ban s LYS 66 Ca 0.41 0.12 -0.25 0.00 -0.36 0.00 0.00 55.97 55.88 1ban s LYS 66 Cb -0.10 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.25 1ban s LYS 66 CO 0.32 -0.02 0.81 -1.54 -0.36 0.00 0.00 175.35 174.56 1ban s SER 67 N -0.23 7.03 0.00 1.43 1.04 -1.26 -3.18 113.70 118.54 1ban s SER 67 Ca 0.07 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1ban s SER 67 Cb -0.04 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1ban s SER 67 CO -0.12 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1ban n GLY 68 N 3.25 1.22 3.63 7.32 0.00 -1.26 -5.07 105.19 114.27 1ban n GLY 68 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ban n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ban s ARG 69 N -0.49 4.12 -0.06 1.61 3.52 -1.19 -4.95 118.95 121.51 1ban s ARG 69 Ca 0.00 0.80 0.06 0.00 -0.13 0.00 0.00 55.73 56.46 1ban s ARG 69 Cb 0.00 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1ban s ARG 69 CO 0.00 -0.55 -0.24 -0.08 -0.81 0.00 0.00 175.30 173.63 1ban s THR 70 N 2.84 1.96 0.06 4.11 -1.32 -1.26 -4.84 115.64 117.18 1ban s THR 70 Ca 0.33 -1.00 -0.11 0.00 -1.21 0.00 0.00 61.69 59.70 1ban s THR 70 Cb -0.15 -1.67 -0.06 0.00 -1.51 0.00 0.00 72.50 69.12 1ban s THR 70 CO 0.09 0.54 0.40 0.26 -2.21 0.00 0.00 174.62 173.70 1ban s TRP 71 N -0.05 3.61 0.04 9.09 0.52 -1.26 -1.86 118.94 129.04 1ban s TRP 71 Ca -0.06 0.82 0.03 0.00 0.02 0.00 0.00 56.10 56.92 1ban s TRP 71 Cb -0.14 -2.18 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1ban s TRP 71 CO 0.04 0.54 -0.10 1.03 0.02 0.00 0.00 176.95 178.48 1ban s ARG 72 N -1.74 0.67 0.24 4.98 0.52 0.30 0.10 118.95 124.01 1ban s ARG 72 Ca 0.31 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.87 1ban s ARG 72 Cb -0.14 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.72 1ban s ARG 72 CO 0.17 0.13 -0.00 -1.83 0.02 0.00 0.00 175.30 173.78 1ban s GLU 73 N -1.36 2.32 -0.28 3.54 -1.05 0.05 0.01 118.70 121.93 1ban s GLU 73 Ca -0.04 -1.32 -0.25 0.00 -0.15 0.00 0.00 54.97 53.21 1ban s GLU 73 Cb -0.09 -2.22 0.10 0.00 -0.44 0.00 0.00 34.13 31.48 1ban s GLU 73 CO 0.01 0.39 0.87 0.00 0.95 0.00 0.00 175.26 177.48 1ban s ALA 74 N -2.12 -1.88 0.26 -0.84 0.00 -0.69 0.04 121.76 116.53 1ban s ALA 74 Ca 0.30 1.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.94 1ban s ALA 74 Cb -0.07 -1.32 -0.09 0.00 0.00 0.00 0.00 23.12 21.63 1ban s ALA 74 CO 0.19 -0.29 1.27 -0.51 0.00 0.00 0.00 175.76 176.42 1ban s ASP 75 N 0.37 6.92 0.18 0.00 1.11 0.47 -0.62 116.67 125.10 1ban s ASP 75 Ca 0.01 2.48 0.11 0.00 0.18 0.00 0.00 52.55 55.33 1ban s ASP 75 Cb -0.05 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.27 1ban s ASP 75 CO -0.03 -0.46 -0.21 -0.63 1.18 0.00 0.00 175.17 175.02 1ban s ILE 76 N -0.58 2.56 -1.40 0.77 -1.09 0.81 -4.71 121.20 117.58 1ban s ILE 76 Ca 0.52 -1.90 -0.05 0.00 -2.23 0.00 0.00 60.65 56.99 1ban s ILE 76 Cb -0.37 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.31 1ban s ILE 76 CO 0.44 -0.09 0.41 0.59 -1.23 0.00 0.00 174.94 175.06 1ban n ASN 77 N 0.30 -4.88 -4.79 3.58 3.02 0.26 -4.64 115.26 108.12 1ban n ASN 77 Ca -0.13 -0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 53.82 1ban n ASN 77 Cb 0.55 -4.01 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 1ban n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ban s TYR 78 N -2.98 3.72 0.11 3.10 5.04 -1.26 -4.97 117.35 120.11 1ban s TYR 78 Ca 0.26 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1ban s TYR 78 Cb -0.13 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.67 1ban s TYR 78 CO 0.32 0.47 0.00 0.25 -1.34 0.00 0.00 175.55 175.25 1ban n THR 79 N 2.29 0.45 -3.76 4.34 -2.24 -1.26 -4.91 114.28 109.19 1ban n THR 79 Ca -0.09 0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1ban n THR 79 Cb 0.51 -1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1ban n THR 79 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ban n SER 80 N -3.22 -1.35 0.00 3.42 3.41 -1.26 -4.81 113.62 109.80 1ban n SER 80 Ca 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1ban n SER 80 Cb 0.12 2.36 0.00 0.00 -0.26 0.00 0.00 64.21 66.43 1ban n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ban n GLY 81 N -0.41 -0.63 3.77 5.00 0.00 -1.25 -4.85 105.19 106.82 1ban n GLY 81 Ca -0.03 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1ban n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ban s PHE 82 N 0.00 3.23 0.73 1.61 0.08 -1.26 -4.46 117.98 117.91 1ban s PHE 82 Ca 0.00 1.62 -0.14 0.00 0.12 0.00 0.00 56.93 58.53 1ban s PHE 82 Cb 0.00 -3.26 0.04 0.00 -0.57 0.00 0.00 43.02 39.23 1ban s PHE 82 CO 0.00 -0.90 1.16 1.03 -0.10 0.00 0.00 175.22 176.40 1ban s ARG 83 N -2.25 2.22 0.00 0.44 0.52 -1.26 -5.00 118.95 113.62 1ban s ARG 83 Ca 0.55 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 1ban s ARG 83 Cb -0.27 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1ban s ARG 83 CO 0.34 -1.73 0.00 0.27 0.02 0.00 0.00 175.30 174.20 1ban n ASN 84 N -2.89 0.00 -0.58 0.23 0.23 -1.26 -5.04 115.26 105.95 1ban n ASN 84 Ca 0.12 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.24 1ban n ASN 84 Cb 0.51 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.27 1ban n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ban n SER 85 N 0.00 2.18 -4.66 0.53 3.41 -1.26 -4.97 113.62 108.85 1ban n SER 85 Ca 0.00 -1.59 -0.41 0.00 -0.26 0.00 0.00 58.87 56.61 1ban n SER 85 Cb 0.00 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1ban n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ban s ASP 86 N -1.31 6.84 0.04 4.04 1.11 -1.26 -1.80 116.67 124.34 1ban s ASP 86 Ca 0.17 1.04 -0.10 0.00 0.18 0.00 0.00 52.55 53.84 1ban s ASP 86 Cb 0.12 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1ban s ASP 86 CO 0.21 -0.40 0.20 -0.13 1.18 0.00 0.00 175.17 176.23 1ban s ARG 87 N 2.29 0.71 0.03 8.23 1.81 -0.46 -0.13 118.95 131.42 1ban s ARG 87 Ca 0.35 -0.64 0.07 0.00 -1.72 0.00 0.00 55.73 53.79 1ban s ARG 87 Cb -0.16 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.60 1ban s ARG 87 CO 0.10 -0.21 -0.20 -1.50 -0.68 0.00 0.00 175.30 172.81 1ban s ILE 88 N -2.64 2.60 -0.14 1.52 2.07 0.21 -1.49 121.20 123.33 1ban s ILE 88 Ca -0.04 -1.19 -0.00 0.00 -1.41 0.00 0.00 60.65 58.00 1ban s ILE 88 Cb -0.01 -2.06 0.03 0.00 0.13 0.00 0.00 42.46 40.55 1ban s ILE 88 CO -0.04 0.38 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.51 1ban s LEU 89 N -1.27 1.49 0.02 8.50 2.01 0.03 -1.70 118.68 127.75 1ban s LEU 89 Ca 0.13 -0.45 0.06 0.00 0.01 0.00 0.00 54.13 53.88 1ban s LEU 89 Cb -0.10 -1.01 -0.02 0.00 0.01 0.00 0.00 46.19 45.07 1ban s LEU 89 CO 0.04 -0.10 -0.18 -0.72 1.01 0.00 0.00 176.35 176.39 1ban s TYR 90 N 1.60 1.59 0.27 0.29 1.13 0.10 -0.76 117.35 121.57 1ban s TYR 90 Ca 0.04 -0.34 0.07 0.00 -1.41 0.00 0.00 57.07 55.43 1ban s TYR 90 Cb -0.13 -0.98 -0.03 0.00 -1.10 0.00 0.00 41.96 39.72 1ban s TYR 90 CO -0.09 0.04 0.26 0.00 -2.51 0.00 0.00 175.55 173.25 1ban s ALA 91 N -0.67 3.73 0.28 9.51 0.00 -0.98 0.11 121.76 133.75 1ban s ALA 91 Ca 0.06 -1.42 0.37 0.00 0.00 0.00 0.00 51.96 50.97 1ban s ALA 91 Cb -0.08 -1.39 1.78 0.00 0.00 0.00 0.00 23.12 23.43 1ban s ALA 91 CO 0.01 0.19 2.11 0.66 0.00 0.00 0.00 175.76 178.73 1ban h SER 92 N 1.35 0.00 -0.16 0.00 4.64 -1.72 0.18 113.55 117.85 1ban h SER 92 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ban h SER 92 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ban h SER 92 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 1ban n ASP 93 N -2.99 3.09 -2.56 4.97 5.75 -1.26 -5.00 116.55 118.54 1ban n ASP 93 Ca -0.01 -1.96 -0.12 0.00 -0.01 0.00 0.00 54.79 52.70 1ban n ASP 93 Cb 0.19 -0.09 0.06 0.00 -1.03 0.00 0.00 41.12 40.25 1ban n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ban n TRP 94 N 1.34 -1.47 -3.58 2.11 7.02 0.65 -5.05 117.44 118.46 1ban n TRP 94 Ca 0.15 0.61 -0.36 0.00 -1.02 0.00 0.00 57.50 56.89 1ban n TRP 94 Cb 0.58 -3.96 -0.07 0.00 -2.42 0.00 0.00 31.31 25.44 1ban n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1ban s LEU 95 N -4.85 4.22 -0.09 -0.99 1.43 -1.26 -4.90 118.68 112.25 1ban s LEU 95 Ca 0.04 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1ban s LEU 95 Cb -0.02 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1ban s LEU 95 CO 0.47 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 176.34 1ban s ILE 96 N 0.51 2.55 0.23 -0.59 1.01 -0.61 -2.31 121.20 121.99 1ban s ILE 96 Ca 0.14 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 60.02 1ban s ILE 96 Cb -0.13 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1ban s ILE 96 CO 0.03 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 175.04 1ban s TYR 97 N -0.02 1.97 0.16 3.97 1.51 0.06 0.34 117.35 125.35 1ban s TYR 97 Ca -0.06 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1ban s TYR 97 Cb -0.15 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1ban s TYR 97 CO 0.05 0.50 -0.17 -1.59 -1.11 0.00 0.00 175.55 173.22 1ban s LYS 98 N -3.43 1.24 -0.04 -0.62 -2.85 -0.80 -0.79 119.74 112.45 1ban s LYS 98 Ca 0.24 -1.41 -0.08 0.00 -1.00 0.00 0.00 55.97 53.72 1ban s LYS 98 Cb -0.03 -1.24 0.01 0.00 -2.06 0.00 0.00 37.83 34.51 1ban s LYS 98 CO 0.10 0.24 0.20 -0.08 0.10 0.00 0.00 175.35 175.91 1ban s THR 99 N -2.18 0.04 0.00 3.79 -1.32 -0.55 -2.85 115.64 112.56 1ban s THR 99 Ca 0.16 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1ban s THR 99 Cb -0.05 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1ban s THR 99 CO 0.06 -0.18 0.38 0.35 -2.21 0.00 0.00 174.62 173.02 1ban n THR 100 N 2.16 0.11 -2.23 5.08 -2.24 -1.25 -1.35 114.28 114.56 1ban n THR 100 Ca -0.18 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1ban n THR 100 Cb 0.57 1.29 0.08 0.00 -2.10 0.00 0.00 70.33 70.18 1ban n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ban n ASP 101 N -0.06 1.96 -3.32 3.42 5.68 -1.22 -4.55 116.55 118.46 1ban n ASP 101 Ca 0.00 -2.84 -0.14 0.00 -0.50 0.00 0.00 54.79 51.30 1ban n ASP 101 Cb 0.34 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1ban n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ban n HIS 102 N -0.38 -2.49 -0.94 2.11 8.25 -0.74 -2.91 115.22 118.12 1ban n HIS 102 Ca 0.16 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 1ban n HIS 102 Cb 0.92 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 28.17 1ban n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ban n TYR 103 N -2.88 0.00 0.07 4.41 4.01 -1.26 -4.90 117.16 116.60 1ban n TYR 103 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 1ban n TYR 103 Cb 0.58 -1.87 -0.06 0.00 -0.31 0.00 0.00 39.34 37.68 1ban n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1ban h GLN 104 N 0.04 -0.25 -6.65 -0.72 4.20 -1.94 -3.46 115.11 106.33 1ban h GLN 104 Ca 0.00 0.02 -0.69 0.00 0.06 0.00 0.00 58.65 58.04 1ban h GLN 104 Cb 0.84 0.06 -0.24 0.00 0.30 0.00 0.00 27.48 28.44 1ban h GLN 104 CO 0.00 0.10 -0.84 0.99 -0.67 0.00 0.00 178.83 178.41 1ban s THR 105 N -3.14 2.52 0.00 -0.54 2.01 -1.26 -5.10 115.64 110.13 1ban s THR 105 Ca -0.10 -1.29 0.05 0.00 0.31 0.00 0.00 61.69 60.66 1ban s THR 105 Cb 0.00 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1ban s THR 105 CO 0.38 0.33 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.11 1ban s PHE 106 N -0.89 1.52 -0.01 4.92 0.08 -1.26 -4.42 117.98 117.91 1ban s PHE 106 Ca 0.14 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.89 1ban s PHE 106 Cb -0.10 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1ban s PHE 106 CO 0.04 0.00 -0.04 0.99 -0.10 0.00 0.00 175.22 176.11 1ban s THR 107 N -0.53 0.38 0.12 0.64 2.01 -1.13 -4.99 115.64 112.13 1ban s THR 107 Ca 0.06 -0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1ban s THR 107 Cb -0.07 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 1ban s THR 107 CO 0.00 0.13 1.39 -0.75 -0.69 0.00 0.00 174.62 174.69 1ban s LYS 108 N 0.11 4.32 -0.01 4.92 2.20 -1.26 -1.90 119.74 128.11 1ban s LYS 108 Ca -0.01 2.08 0.02 0.00 -0.36 0.00 0.00 55.97 57.70 1ban s LYS 108 Cb -0.05 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1ban s LYS 108 CO -0.00 -0.43 0.03 0.44 -0.36 0.00 0.00 175.35 175.02 1ban n ILE 109 N 3.89 0.09 -0.95 5.43 -5.35 0.15 -4.93 119.36 117.70 1ban n ILE 109 Ca 0.11 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1ban n ILE 109 Cb 0.42 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1ban n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33