#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr s GLN 2 N 0.00 2.49 0.17 0.00 -0.21 -1.26 -5.06 119.66 115.79 1bnr s GLN 2 Ca 0.00 -1.24 -0.04 0.00 0.02 0.00 0.00 55.36 54.10 1bnr s GLN 2 Cb 0.00 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.74 1bnr s GLN 2 CO 0.00 -0.64 0.30 1.33 -2.12 0.00 0.00 175.29 174.16 1bnr n VAL 3 N 4.69 0.00 -3.64 1.09 0.24 -1.26 -5.13 118.33 114.33 1bnr n VAL 3 Ca -0.13 -0.60 -0.40 0.00 -2.04 0.00 0.00 64.34 61.18 1bnr n VAL 3 Cb 0.44 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 1bnr n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1bnr s ILE 4 N -2.60 4.33 -0.41 1.34 1.09 -1.26 -4.97 121.20 118.71 1bnr s ILE 4 Ca 0.10 -1.00 0.08 0.00 -1.10 0.00 0.00 60.65 58.73 1bnr s ILE 4 Cb -0.01 -3.45 0.25 0.00 -1.06 0.00 0.00 42.46 38.18 1bnr s ILE 4 CO 0.07 -0.25 0.60 -0.46 -0.10 0.00 0.00 174.94 174.79 1bnr n ASN 5 N 4.94 -0.39 -1.65 3.58 6.94 -1.26 -4.71 115.26 122.71 1bnr n ASN 5 Ca -0.12 -2.82 -0.05 0.00 -0.02 0.00 0.00 54.58 51.58 1bnr n ASN 5 Cb 0.45 -0.17 -0.01 0.00 -2.36 0.00 0.00 39.78 37.69 1bnr n ASN 5 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1bnr n THR 6 N 1.43 0.00 0.02 5.53 -2.24 -1.26 -1.52 114.28 116.23 1bnr n THR 6 Ca 0.19 -0.57 -0.02 0.00 -2.27 0.00 0.00 64.05 61.37 1bnr n THR 6 Cb 0.55 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1bnr n THR 6 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1bnr h PHE 7 N 1.33 -0.15 -0.12 4.78 0.04 -1.96 -2.08 116.94 118.79 1bnr h PHE 7 Ca -0.09 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.53 1bnr h PHE 7 Cb 0.39 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1bnr h PHE 7 CO 0.00 -0.09 -0.55 -0.44 -0.60 0.00 0.00 178.31 176.63 1bnr h ASP 8 N -1.01 0.39 0.02 2.17 5.19 -1.98 -1.15 116.42 120.05 1bnr h ASP 8 Ca -0.02 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1bnr h ASP 8 Cb 0.12 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1bnr h ASP 8 CO 0.03 0.87 -0.01 1.23 -3.12 0.00 0.00 179.24 178.23 1bnr h GLY 9 N 1.29 -0.03 0.79 2.75 0.00 -1.96 -0.74 103.07 105.17 1bnr h GLY 9 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1bnr h GLY 9 CO 0.09 -0.01 -0.02 -2.08 0.00 0.00 0.00 176.54 174.52 1bnr h VAL 10 N -0.39 1.27 -0.93 4.60 2.07 -1.39 -1.57 116.25 119.90 1bnr h VAL 10 Ca -0.00 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.72 1bnr h VAL 10 Cb 0.37 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1bnr h VAL 10 CO 0.00 0.28 0.59 0.00 0.02 0.00 0.00 177.57 178.47 1bnr h ALA 11 N 0.75 1.67 0.48 1.67 0.00 -1.23 0.11 119.26 122.71 1bnr h ALA 11 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bnr h ALA 11 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bnr h ALA 11 CO 0.01 0.09 -0.23 -0.44 0.00 0.00 0.00 179.25 178.69 1bnr h ASP 12 N 0.85 -0.54 -0.02 0.00 5.19 -0.75 -1.42 116.42 119.72 1bnr h ASP 12 Ca 0.46 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.81 1bnr h ASP 12 Cb 0.57 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.21 1bnr h ASP 12 CO -0.22 -0.25 0.10 0.22 -3.12 0.00 0.00 179.24 175.96 1bnr h TYR 13 N -0.83 0.00 0.14 4.55 3.20 -0.48 0.37 116.97 123.92 1bnr h TYR 13 Ca -0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1bnr h TYR 13 Cb 0.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1bnr h TYR 13 CO -0.00 0.00 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.38 1bnr h LEU 14 N 0.00 -0.16 0.00 2.82 3.38 -0.11 -0.37 115.31 120.86 1bnr h LEU 14 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bnr h LEU 14 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1bnr h LEU 14 CO -0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1bnr n GLN 15 N -3.83 0.23 -0.02 1.13 6.02 -0.60 0.64 117.38 120.94 1bnr n GLN 15 Ca -0.02 0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1bnr n GLN 15 Cb 0.08 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bnr n THR 16 N -1.29 0.38 1.30 5.09 -1.04 0.13 -4.51 114.28 114.34 1bnr n THR 16 Ca 0.08 0.42 0.11 0.00 -2.04 0.00 0.00 64.05 62.62 1bnr n THR 16 Cb 0.13 -1.73 0.42 0.00 -1.82 0.00 0.00 70.33 67.32 1bnr n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bnr n TYR 17 N -2.94 0.16 -4.11 -1.42 4.02 -0.16 -4.93 117.16 107.78 1bnr n TYR 17 Ca -0.03 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.90 57.49 1bnr n TYR 17 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bnr n HIS 18 N 0.28 -1.47 0.00 -0.72 8.25 0.21 -4.89 115.22 116.88 1bnr n HIS 18 Ca 0.17 0.63 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 1bnr n HIS 18 Cb 0.34 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 28.20 1bnr n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bnr n LYS 19 N -4.52 0.00 -0.94 -0.41 2.85 -1.24 -5.05 118.16 108.85 1bnr n LYS 19 Ca -0.30 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.61 1bnr n LYS 19 Cb 0.68 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 35.13 1bnr n LYS 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnr n LEU 20 N 0.00 -4.25 -4.52 -5.58 4.77 -1.26 -4.64 117.00 101.52 1bnr n LEU 20 Ca 0.00 0.23 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 1bnr n LEU 20 Cb 0.00 -0.90 0.13 0.00 -2.33 0.00 0.00 43.42 40.32 1bnr n LEU 20 CO 0.00 -5.31 0.22 -2.65 -1.33 0.00 0.00 177.39 168.33 1bnr n PRO 21 N 1.20 -0.26 0.00 3.23 -0.02 -1.26 -4.84 135.00 133.05 1bnr n PRO 21 Ca 0.01 -0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.55 1bnr n PRO 21 Cb 0.55 -2.06 0.45 0.00 -0.02 0.00 0.00 33.50 32.43 1bnr n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bnr n ASP 22 N -2.29 0.00 -1.53 2.55 8.00 -1.26 -2.44 116.55 119.58 1bnr n ASP 22 Ca 0.09 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.43 1bnr n ASP 22 Cb 0.53 -0.25 0.16 0.00 -0.02 0.00 0.00 41.12 41.53 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnr n ASN 23 N -1.25 3.55 -4.01 -2.24 0.23 -1.26 -4.83 115.26 105.45 1bnr n ASN 23 Ca 0.09 -3.78 -0.32 0.00 -0.53 0.00 0.00 54.58 50.04 1bnr n ASN 23 Cb 0.13 -0.65 -0.09 0.00 -2.08 0.00 0.00 39.78 37.09 1bnr n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1bnr s TYR 24 N -3.38 3.71 -0.19 -2.53 1.51 -1.02 -1.00 117.35 114.45 1bnr s TYR 24 Ca 0.49 -3.16 -0.22 0.00 -1.01 0.00 0.00 57.07 53.17 1bnr s TYR 24 Cb 0.43 -2.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1bnr s TYR 24 CO 0.01 -0.66 0.67 0.96 -1.11 0.00 0.00 175.55 175.43 1bnr s ILE 25 N -1.31 4.99 0.96 2.71 -4.36 0.14 -4.15 121.20 120.18 1bnr s ILE 25 Ca 0.25 1.28 -0.15 0.00 -0.26 0.00 0.00 60.65 61.77 1bnr s ILE 25 Cb -0.07 -3.99 0.06 0.00 1.25 0.00 0.00 42.46 39.71 1bnr s ILE 25 CO -0.13 0.09 -0.17 0.35 0.24 0.00 0.00 174.94 175.31 1bnr n THR 26 N 4.72 0.00 -0.06 8.37 -2.24 -1.08 -3.31 114.28 120.68 1bnr n THR 26 Ca -0.00 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1bnr n THR 26 Cb 0.49 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1bnr n THR 26 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bnr h LYS 27 N -2.12 0.44 -0.87 -0.78 6.56 -1.91 -2.69 116.57 115.20 1bnr h LYS 27 Ca -0.30 -0.24 0.21 0.00 -1.06 0.00 0.00 60.65 59.25 1bnr h LYS 27 Cb 0.91 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.53 1bnr h LYS 27 CO 0.19 0.82 0.59 0.77 -2.06 0.00 0.00 179.45 179.76 1bnr h SER 28 N 0.08 0.28 -0.32 0.86 0.02 -1.99 0.30 113.55 112.78 1bnr h SER 28 Ca 0.02 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1bnr h SER 28 Cb 0.76 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1bnr h SER 28 CO 0.05 0.11 0.18 -0.33 -1.14 0.00 0.00 176.83 175.71 1bnr h GLU 29 N 0.28 0.44 -0.52 3.45 4.39 -1.77 -0.34 114.58 120.52 1bnr h GLU 29 Ca 0.44 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 1bnr h GLU 29 Cb 1.27 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1bnr h GLU 29 CO -0.12 0.36 0.21 0.00 -1.16 0.00 0.00 179.01 178.30 1bnr h ALA 30 N 1.06 1.41 -0.27 3.43 0.00 -0.37 -0.86 119.26 123.66 1bnr h ALA 30 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1bnr h ALA 30 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bnr h ALA 30 CO -0.02 0.45 -0.07 1.96 0.00 0.00 0.00 179.25 181.58 1bnr h GLN 31 N 0.73 0.43 -0.72 0.00 4.20 -0.32 -1.75 115.11 117.69 1bnr h GLN 31 Ca 0.18 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1bnr h GLN 31 Cb 0.14 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1bnr h GLN 31 CO -0.02 0.52 0.37 0.00 -0.67 0.00 0.00 178.83 179.03 1bnr h ALA 32 N 1.52 1.31 -0.00 3.87 0.00 0.38 -0.53 119.26 125.81 1bnr h ALA 32 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bnr h ALA 32 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bnr h ALA 32 CO 0.02 0.55 -0.05 1.28 0.00 0.00 0.00 179.25 181.05 1bnr n LEU 33 N -4.35 0.07 0.00 0.00 4.32 -0.76 -4.92 117.00 111.36 1bnr n LEU 33 Ca 0.07 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 1bnr n LEU 33 Cb 0.11 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1bnr n LEU 33 CO 0.38 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1bnr n GLY 34 N 1.45 0.79 3.11 -0.72 0.00 -0.21 -4.96 105.19 104.66 1bnr n GLY 34 Ca 0.09 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1bnr n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bnr s TRP 35 N -1.61 1.41 -0.12 1.61 -0.00 -0.91 -4.72 118.94 114.60 1bnr s TRP 35 Ca 0.00 -0.33 -0.20 0.00 -0.00 0.00 0.00 56.10 55.57 1bnr s TRP 35 Cb 0.00 -0.94 -0.04 0.00 -0.00 0.00 0.00 33.47 32.50 1bnr s TRP 35 CO 0.00 -0.08 0.58 0.54 -0.00 0.00 0.00 176.95 177.99 1bnr s VAL 36 N -0.13 5.11 -1.03 5.86 0.11 -1.26 -4.51 120.40 124.55 1bnr s VAL 36 Ca 0.01 1.16 0.04 0.00 -2.93 0.00 0.00 61.98 60.26 1bnr s VAL 36 Cb -0.08 -3.92 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 1bnr s VAL 36 CO 0.00 0.26 1.11 0.00 -3.33 0.00 0.00 175.10 173.14 1bnr n ALA 37 N 3.96 1.19 -0.00 1.54 0.00 -1.26 -2.59 120.51 123.35 1bnr n ALA 37 Ca -0.04 -0.01 0.22 0.00 0.00 0.00 0.00 53.44 53.61 1bnr n ALA 37 Cb 0.51 -1.06 0.59 0.00 0.00 0.00 0.00 19.45 19.49 1bnr n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bnr h SER 38 N 0.00 0.00 -2.69 0.00 0.87 -2.03 -3.44 113.55 106.27 1bnr h SER 38 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1bnr h SER 38 Cb 0.06 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1bnr h SER 38 CO 0.00 0.00 -0.20 0.29 -0.53 0.00 0.00 176.83 176.39 1bnr n LYS 39 N -3.39 -1.95 0.00 2.24 5.02 -1.07 -4.90 118.16 114.10 1bnr n LYS 39 Ca 0.13 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1bnr n LYS 39 Cb 0.99 -3.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 1bnr n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnr n GLY 40 N -0.98 0.00 0.82 0.72 0.00 -1.26 -2.42 105.19 102.08 1bnr n GLY 40 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1bnr n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnr n ASN 41 N -1.08 1.53 0.17 1.61 6.94 -1.26 -4.58 115.26 118.58 1bnr n ASN 41 Ca 0.00 -3.39 -0.08 0.00 -0.02 0.00 0.00 54.58 51.09 1bnr n ASN 41 Cb 0.18 -0.47 -0.04 0.00 -2.36 0.00 0.00 39.78 37.09 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bnr h LEU 42 N 0.98 -0.57 0.00 -4.53 5.85 -1.88 -1.07 115.31 114.09 1bnr h LEU 42 Ca -0.06 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1bnr h LEU 42 Cb 1.24 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1bnr h LEU 42 CO 0.03 -0.32 0.00 0.00 -0.34 0.00 0.00 178.44 177.81 1bnr n ALA 43 N -2.42 1.03 0.07 1.25 0.00 -1.26 -1.01 120.51 118.17 1bnr n ALA 43 Ca -0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1bnr n ALA 43 Cb 0.22 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 1bnr n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bnr h ASP 44 N 0.00 0.03 0.00 0.00 5.19 -1.54 -2.49 116.42 117.60 1bnr h ASP 44 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1bnr h ASP 44 Cb 0.01 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1bnr h ASP 44 CO 0.00 0.97 -1.04 1.33 -3.12 0.00 0.00 179.24 177.38 1bnr n VAL 45 N -3.42 0.00 -2.98 -1.35 0.24 -0.41 -4.73 118.33 105.68 1bnr n VAL 45 Ca -0.01 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 1bnr n VAL 45 Cb 0.90 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1bnr n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnr n ALA 46 N -1.59 0.67 -0.69 2.33 0.00 -0.18 -4.88 120.51 116.18 1bnr n ALA 46 Ca 0.00 -2.48 -0.30 0.00 0.00 0.00 0.00 53.44 50.66 1bnr n ALA 46 Cb 0.27 -1.05 0.18 0.00 0.00 0.00 0.00 19.45 18.85 1bnr n ALA 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1bnr s PRO 47 N -0.72 0.66 -1.49 0.00 0.02 -0.94 -3.07 135.00 129.46 1bnr s PRO 47 Ca 0.33 1.39 -0.13 0.00 0.02 0.00 0.00 61.00 62.61 1bnr s PRO 47 Cb 0.26 -1.70 0.09 0.00 0.02 0.00 0.00 34.50 33.17 1bnr s PRO 47 CO -0.12 -2.83 0.78 0.41 -0.33 0.00 0.00 177.00 174.92 1bnr n GLY 48 N 0.27 -0.49 2.73 0.52 0.00 -1.26 -4.94 105.19 102.02 1bnr n GLY 48 Ca 0.10 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1bnr n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnr s LYS 49 N -6.43 0.56 0.35 1.61 -0.14 -1.17 -4.93 119.74 109.58 1bnr s LYS 49 Ca 0.58 -0.20 -0.07 0.00 -1.36 0.00 0.00 55.97 54.92 1bnr s LYS 49 Cb -0.30 -1.70 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 1bnr s LYS 49 CO 0.71 -0.53 0.65 -1.12 -0.76 0.00 0.00 175.35 174.30 1bnr s SER 50 N 1.93 6.45 -0.37 2.83 0.01 -0.17 -4.89 113.70 119.50 1bnr s SER 50 Ca 0.01 0.87 -0.12 0.00 1.31 0.00 0.00 55.95 58.03 1bnr s SER 50 Cb -0.15 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.88 1bnr s SER 50 CO -0.07 -0.31 0.22 -0.63 0.41 0.00 0.00 173.24 172.86 1bnr s ILE 51 N -2.26 4.78 0.13 1.44 -1.09 -1.25 0.28 121.20 123.23 1bnr s ILE 51 Ca 0.47 -0.68 -0.16 0.00 -2.23 0.00 0.00 60.65 58.04 1bnr s ILE 51 Cb -0.10 -3.61 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1bnr s ILE 51 CO 0.32 -0.17 0.42 -0.83 -1.23 0.00 0.00 174.94 173.44 1bnr s GLY 52 N 1.61 -0.29 0.00 6.18 0.00 -1.21 -0.11 107.32 113.49 1bnr s GLY 52 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1bnr s GLY 52 CO 0.08 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.51 1bnr n GLY 53 N -0.24 0.88 3.85 0.20 0.00 -0.44 -2.65 105.19 106.79 1bnr n GLY 53 Ca -0.16 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1bnr n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bnr s ASP 54 N -2.19 6.79 0.27 1.61 1.01 -1.05 -4.88 116.67 118.23 1bnr s ASP 54 Ca 0.00 1.16 -0.29 0.00 0.71 0.00 0.00 52.55 54.12 1bnr s ASP 54 Cb 0.00 -2.32 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1bnr s ASP 54 CO 0.00 -0.07 1.29 -0.63 0.21 0.00 0.00 175.17 175.98 1bnr s ILE 55 N -1.76 2.99 -0.67 0.77 -1.09 -1.26 -1.42 121.20 118.75 1bnr s ILE 55 Ca 0.47 0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 59.75 1bnr s ILE 55 Cb -0.12 -3.58 0.17 0.00 -1.58 0.00 0.00 42.46 37.35 1bnr s ILE 55 CO 0.19 0.18 0.51 0.12 -1.23 0.00 0.00 174.94 174.71 1bnr s PHE 56 N -0.58 3.47 -0.63 3.97 5.36 -0.32 -4.77 117.98 124.48 1bnr s PHE 56 Ca 0.52 -2.64 0.13 0.00 -0.96 0.00 0.00 56.93 53.98 1bnr s PHE 56 Cb -0.38 -3.29 0.64 0.00 -0.34 0.00 0.00 43.02 39.65 1bnr s PHE 56 CO 0.45 -0.85 1.39 0.43 -1.46 0.00 0.00 175.22 175.18 1bnr n SER 57 N 3.47 0.29 -3.44 6.13 7.64 -1.26 -3.74 113.62 122.71 1bnr n SER 57 Ca 0.10 0.62 -0.21 0.00 1.01 0.00 0.00 58.87 60.39 1bnr n SER 57 Cb 0.39 -0.67 0.05 0.00 -1.01 0.00 0.00 64.21 62.97 1bnr n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bnr n ASN 58 N -1.88 -6.15 0.00 6.43 5.15 -1.26 -4.92 115.26 112.63 1bnr n ASN 58 Ca 0.00 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 1bnr n ASN 58 Cb 0.06 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 1bnr n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bnr n ARG 59 N -3.45 0.00 -0.29 1.20 1.74 -1.26 -2.58 116.66 112.02 1bnr n ARG 59 Ca -0.08 0.47 0.05 0.00 -0.77 0.00 0.00 57.85 57.51 1bnr n ARG 59 Cb 0.60 -1.35 0.14 0.00 -1.02 0.00 0.00 32.46 30.83 1bnr n ARG 59 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1bnr h GLU 60 N 0.00 0.03 -1.63 5.56 4.39 -1.96 -3.46 114.58 117.51 1bnr h GLU 60 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bnr h GLU 60 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1bnr h GLU 60 CO 0.00 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1bnr n GLY 61 N -1.50 0.45 0.00 -3.84 0.00 -1.07 -5.02 105.19 94.21 1bnr n GLY 61 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1bnr n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnr n LYS 62 N -0.64 2.59 -3.59 1.61 5.02 -1.26 -5.02 118.16 116.88 1bnr n LYS 62 Ca 0.00 -0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 55.68 1bnr n LYS 62 Cb 0.27 -0.77 -0.05 0.00 -0.02 0.00 0.00 35.03 34.46 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnr s LEU 63 N -0.90 4.30 -0.01 -0.35 1.43 -1.26 -4.95 118.68 116.94 1bnr s LEU 63 Ca 0.00 0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 53.54 1bnr s LEU 63 Cb 0.00 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 42.97 1bnr s LEU 63 CO 0.00 0.10 1.90 -2.16 0.23 0.00 0.00 176.35 176.43 1bnr s PRO 64 N -2.26 4.07 0.00 1.29 0.04 -1.26 -4.92 135.00 131.95 1bnr s PRO 64 Ca 0.37 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1bnr s PRO 64 Cb -0.13 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1bnr s PRO 64 CO 0.21 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1bnr n GLY 65 N 4.54 1.68 3.98 0.56 0.00 -1.26 -5.06 105.19 109.63 1bnr n GLY 65 Ca 0.20 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 1bnr n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnr s LYS 66 N -0.55 2.61 0.02 1.61 1.02 -1.26 -4.94 119.74 118.26 1bnr s LYS 66 Ca 0.00 -0.86 -0.35 0.00 0.02 0.00 0.00 55.97 54.79 1bnr s LYS 66 Cb 0.00 -2.54 -0.13 0.00 -0.52 0.00 0.00 37.83 34.64 1bnr s LYS 66 CO 0.00 -0.62 1.70 0.45 -0.92 0.00 0.00 175.35 175.96 1bnr n SER 67 N -2.24 3.08 0.00 2.83 2.88 -1.26 -1.32 113.62 117.58 1bnr n SER 67 Ca 0.08 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1bnr n SER 67 Cb 0.59 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1bnr n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bnr n GLY 68 N 3.82 0.66 3.93 0.46 0.00 -1.26 -5.09 105.19 107.71 1bnr n GLY 68 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1bnr n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bnr s ARG 69 N -0.59 3.51 0.26 1.61 3.52 -0.44 -5.11 118.95 121.71 1bnr s ARG 69 Ca 0.00 -0.37 0.11 0.00 -0.13 0.00 0.00 55.73 55.34 1bnr s ARG 69 Cb 0.00 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.45 1bnr s ARG 69 CO 0.00 0.46 -0.20 0.99 -0.81 0.00 0.00 175.30 175.74 1bnr s THR 70 N -1.77 2.37 0.12 4.11 2.01 -1.26 -4.93 115.64 116.29 1bnr s THR 70 Ca 0.38 -2.34 0.06 0.00 0.31 0.00 0.00 61.69 60.10 1bnr s THR 70 Cb -0.11 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1bnr s THR 70 CO 0.28 -0.40 -0.15 0.26 -0.69 0.00 0.00 174.62 173.93 1bnr s TRP 71 N -2.48 1.46 0.10 4.92 0.52 -1.25 -4.46 118.94 117.75 1bnr s TRP 71 Ca 0.28 -0.53 0.09 0.00 0.02 0.00 0.00 56.10 55.96 1bnr s TRP 71 Cb -0.05 -0.76 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 1bnr s TRP 71 CO 0.13 0.16 -0.22 1.03 0.02 0.00 0.00 176.95 178.08 1bnr s ARG 72 N -2.57 1.72 0.16 4.98 1.81 -0.49 -1.17 118.95 123.38 1bnr s ARG 72 Ca 0.09 -1.19 0.08 0.00 -1.72 0.00 0.00 55.73 52.99 1bnr s ARG 72 Cb -0.06 -2.05 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 1bnr s ARG 72 CO 0.03 0.48 -0.18 -1.83 -0.68 0.00 0.00 175.30 173.13 1bnr s GLU 73 N -1.92 1.24 0.04 3.54 -1.05 -0.51 -0.99 118.70 119.06 1bnr s GLU 73 Ca 0.16 -1.38 -0.06 0.00 -0.15 0.00 0.00 54.97 53.53 1bnr s GLU 73 Cb -0.10 -1.29 -0.01 0.00 -0.44 0.00 0.00 34.13 32.29 1bnr s GLU 73 CO 0.07 0.26 0.11 0.00 0.95 0.00 0.00 175.26 176.65 1bnr s ALA 74 N -2.04 -0.08 0.30 -0.84 0.00 0.05 -1.33 121.76 117.82 1bnr s ALA 74 Ca 0.15 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 1bnr s ALA 74 Cb -0.06 0.28 -0.10 0.00 0.00 0.00 0.00 23.12 23.24 1bnr s ALA 74 CO 0.06 -0.34 0.93 -0.51 0.00 0.00 0.00 175.76 175.90 1bnr s ASP 75 N -2.23 7.39 -0.14 0.00 1.11 0.84 -1.34 116.67 122.30 1bnr s ASP 75 Ca -0.03 1.84 -0.00 0.00 0.18 0.00 0.00 52.55 54.54 1bnr s ASP 75 Cb -0.00 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.44 1bnr s ASP 75 CO -0.05 -0.01 -0.09 -0.63 1.18 0.00 0.00 175.17 175.56 1bnr s ILE 76 N -1.52 1.22 -0.00 0.77 -1.09 -0.41 -4.76 121.20 115.40 1bnr s ILE 76 Ca 0.48 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1bnr s ILE 76 Cb -0.20 -1.23 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 1bnr s ILE 76 CO 0.25 0.35 0.01 0.59 -1.23 0.00 0.00 174.94 174.91 1bnr n ASN 77 N 4.87 -4.00 -3.35 3.58 4.13 -0.58 -4.45 115.26 115.47 1bnr n ASN 77 Ca -0.14 0.56 0.02 0.00 1.68 0.00 0.00 54.58 56.71 1bnr n ASN 77 Cb 0.49 -2.32 -0.04 0.00 -1.54 0.00 0.00 39.78 36.37 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1bnr s TYR 78 N -0.19 -0.64 0.00 3.10 5.04 -1.26 -4.71 117.35 118.69 1bnr s TYR 78 Ca -0.01 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1bnr s TYR 78 Cb 0.00 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.67 1bnr s TYR 78 CO 0.03 -0.32 0.00 0.25 -1.34 0.00 0.00 175.55 174.17 1bnr n THR 79 N 5.00 0.00 -4.05 4.34 -2.24 -1.26 -5.00 114.28 111.07 1bnr n THR 79 Ca -0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1bnr n THR 79 Cb 0.53 -0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 1bnr n THR 79 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bnr s SER 80 N 1.00 0.55 0.00 3.42 0.01 -1.26 -4.86 113.70 112.57 1bnr s SER 80 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1bnr s SER 80 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1bnr s SER 80 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1bnr n GLY 81 N 2.23 -0.31 3.77 3.44 0.00 -1.26 -5.01 105.19 108.06 1bnr n GLY 81 Ca -0.18 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 1bnr n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bnr s PHE 82 N -0.42 2.64 1.03 1.61 0.40 -1.26 -4.73 117.98 117.24 1bnr s PHE 82 Ca 0.00 1.23 -0.22 0.00 -0.60 0.00 0.00 56.93 57.34 1bnr s PHE 82 Cb 0.00 -3.94 -0.09 0.00 0.51 0.00 0.00 43.02 39.50 1bnr s PHE 82 CO 0.00 -2.77 -0.88 0.54 0.70 0.00 0.00 175.22 172.81 1bnr n ARG 83 N 0.36 -0.43 -3.22 0.44 1.74 -1.01 -4.99 116.66 109.55 1bnr n ARG 83 Ca 0.02 -0.12 -0.19 0.00 -0.77 0.00 0.00 57.85 56.79 1bnr n ARG 83 Cb 0.40 -1.24 -0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bnr n ASN 84 N 1.81 2.31 -0.57 0.55 6.94 -1.26 -5.04 115.26 119.99 1bnr n ASN 84 Ca -0.01 -2.37 0.07 0.00 -0.02 0.00 0.00 54.58 52.25 1bnr n ASN 84 Cb 0.67 -0.01 0.18 0.00 -2.36 0.00 0.00 39.78 38.25 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1bnr n SER 85 N -1.84 3.11 -4.73 0.53 3.41 -1.26 -4.97 113.62 107.86 1bnr n SER 85 Ca -0.02 -2.59 -0.36 0.00 -0.26 0.00 0.00 58.87 55.64 1bnr n SER 85 Cb 0.45 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnr s ASP 86 N -1.68 6.34 0.37 4.04 1.11 -1.26 0.16 116.67 125.75 1bnr s ASP 86 Ca 0.29 0.39 -0.07 0.00 0.18 0.00 0.00 52.55 53.34 1bnr s ASP 86 Cb 0.22 -2.14 0.03 0.00 1.07 0.00 0.00 42.92 42.10 1bnr s ASP 86 CO 0.09 0.15 0.61 -0.13 1.18 0.00 0.00 175.17 177.06 1bnr s ARG 87 N 0.36 2.09 0.00 8.23 0.52 -0.63 -1.29 118.95 128.24 1bnr s ARG 87 Ca 0.13 -1.68 0.01 0.00 -0.52 0.00 0.00 55.73 53.66 1bnr s ARG 87 Cb -0.12 0.52 -0.00 0.00 0.52 0.00 0.00 34.95 35.86 1bnr s ARG 87 CO 0.01 -0.92 -0.02 -1.50 0.02 0.00 0.00 175.30 172.90 1bnr s ILE 88 N -2.64 0.14 -0.18 1.52 2.07 -0.45 -1.49 121.20 120.17 1bnr s ILE 88 Ca 0.25 -0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.27 1bnr s ILE 88 Cb -0.02 -0.15 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 1bnr s ILE 88 CO 0.18 -0.03 -0.06 -0.76 -1.91 0.00 0.00 174.94 172.35 1bnr s LEU 89 N -0.24 2.95 -0.02 8.50 2.01 -0.52 -0.77 118.68 130.59 1bnr s LEU 89 Ca -0.01 -0.30 0.03 0.00 0.01 0.00 0.00 54.13 53.85 1bnr s LEU 89 Cb -0.02 -1.72 -0.03 0.00 0.01 0.00 0.00 46.19 44.43 1bnr s LEU 89 CO -0.00 0.08 -0.08 -0.72 1.01 0.00 0.00 176.35 176.63 1bnr s TYR 90 N 0.91 2.87 0.44 0.29 1.13 -0.17 -1.30 117.35 121.52 1bnr s TYR 90 Ca -0.01 -0.04 0.07 0.00 -1.41 0.00 0.00 57.07 55.68 1bnr s TYR 90 Cb -0.15 -1.63 -0.02 0.00 -1.10 0.00 0.00 41.96 39.06 1bnr s TYR 90 CO 0.01 0.34 0.29 0.45 -2.51 0.00 0.00 175.55 174.12 1bnr s SER 91 N -1.17 4.67 0.51 -0.18 0.15 0.50 -1.40 113.70 116.78 1bnr s SER 91 Ca 0.15 -1.01 0.25 0.00 0.70 0.00 0.00 55.95 56.04 1bnr s SER 91 Cb -0.11 -0.32 1.37 0.00 -1.71 0.00 0.00 66.02 65.25 1bnr s SER 91 CO 0.05 -0.69 2.06 0.77 1.20 0.00 0.00 173.24 176.62 1bnr h SER 92 N 1.16 0.00 -0.29 5.45 4.64 -1.91 -0.31 113.55 122.29 1bnr h SER 92 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1bnr h SER 92 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1bnr h SER 92 CO 0.63 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 1bnr n ASP 93 N -3.77 3.37 -1.45 4.97 5.75 -1.26 -4.84 116.55 119.33 1bnr n ASP 93 Ca -0.02 -2.46 -0.14 0.00 -0.01 0.00 0.00 54.79 52.16 1bnr n ASP 93 Cb 0.24 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 1bnr n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bnr n TRP 94 N 0.32 -0.50 -2.62 2.11 5.03 -0.13 -4.95 117.44 116.70 1bnr n TRP 94 Ca 0.14 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.24 1bnr n TRP 94 Cb 0.72 -2.84 -0.02 0.00 -1.03 0.00 0.00 31.31 28.14 1bnr n TRP 94 CO 0.00 0.00 0.00 -0.51 -0.03 0.00 0.00 177.69 177.15 1bnr s LEU 95 N -3.75 3.95 -0.32 -0.99 1.43 -1.24 -4.74 118.68 113.03 1bnr s LEU 95 Ca 0.00 1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 54.19 1bnr s LEU 95 Cb 0.00 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.74 1bnr s LEU 95 CO 0.00 -0.87 0.03 -0.63 0.23 0.00 0.00 176.35 175.11 1bnr s ILE 96 N 3.65 3.02 -0.27 -0.59 1.01 -1.26 -0.37 121.20 126.39 1bnr s ILE 96 Ca 0.46 -1.52 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 1bnr s ILE 96 Cb -0.13 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1bnr s ILE 96 CO 0.15 -0.22 0.06 -0.31 0.00 0.00 0.00 174.94 174.62 1bnr s TYR 97 N 1.22 3.11 0.05 3.97 1.51 -0.42 -1.64 117.35 125.15 1bnr s TYR 97 Ca -0.02 -0.83 -0.20 0.00 -1.01 0.00 0.00 57.07 55.00 1bnr s TYR 97 Cb -0.20 -2.23 -0.06 0.00 -0.11 0.00 0.00 41.96 39.36 1bnr s TYR 97 CO -0.02 -0.52 0.60 -1.59 -1.11 0.00 0.00 175.55 172.92 1bnr s LYS 98 N 1.53 4.28 -0.11 -0.62 -2.85 -0.25 -1.44 119.74 120.27 1bnr s LYS 98 Ca 0.04 0.78 0.03 0.00 -1.00 0.00 0.00 55.97 55.82 1bnr s LYS 98 Cb -0.16 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.33 1bnr s LYS 98 CO 0.02 0.52 -0.20 -0.08 0.10 0.00 0.00 175.35 175.71 1bnr s THR 99 N -0.74 1.85 -0.30 3.79 -1.32 -0.56 -1.50 115.64 116.86 1bnr s THR 99 Ca 0.30 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 60.00 1bnr s THR 99 Cb -0.19 -1.63 0.52 0.00 -1.51 0.00 0.00 72.50 69.69 1bnr s THR 99 CO 0.19 0.51 1.50 0.35 -2.21 0.00 0.00 174.62 174.96 1bnr n THR 100 N 3.88 2.59 -2.06 5.08 -2.24 -1.26 -1.60 114.28 118.68 1bnr n THR 100 Ca -0.20 -2.66 -0.00 0.00 -2.27 0.00 0.00 64.05 58.92 1bnr n THR 100 Cb 0.52 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1bnr n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bnr n ASP 101 N -1.10 -0.00 -1.70 3.42 5.68 -1.22 -4.78 116.55 116.84 1bnr n ASP 101 Ca 0.35 -1.62 -0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1bnr n ASP 101 Cb 1.08 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bnr n HIS 102 N 0.06 -0.38 -1.50 2.11 -0.00 0.12 -3.61 115.22 112.02 1bnr n HIS 102 Ca -0.03 0.15 -0.10 0.00 -0.00 0.00 0.00 57.72 57.74 1bnr n HIS 102 Cb 0.68 -1.85 -0.04 0.00 -0.00 0.00 0.00 29.99 28.79 1bnr n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bnr n TYR 103 N -1.11 -0.71 0.36 1.57 4.01 -1.26 -4.72 117.16 115.31 1bnr n TYR 103 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1bnr n TYR 103 Cb 0.50 -2.22 0.11 0.00 -0.31 0.00 0.00 39.34 37.42 1bnr n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bnr h GLN 104 N 0.00 0.00 -3.57 -0.72 4.20 -1.94 -3.47 115.11 109.62 1bnr h GLN 104 Ca -0.21 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1bnr h GLN 104 Cb 0.74 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.36 1bnr h GLN 104 CO 0.29 0.00 -0.36 0.99 -0.67 0.00 0.00 178.83 179.08 1bnr s THR 105 N -3.24 0.11 -0.09 -0.54 2.01 -1.26 -5.01 115.64 107.62 1bnr s THR 105 Ca 0.04 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 1bnr s THR 105 Cb 0.11 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.67 1bnr s THR 105 CO 0.74 -0.50 0.07 -0.36 -0.69 0.00 0.00 174.62 173.87 1bnr s PHE 106 N -2.81 0.14 -0.18 4.92 0.08 -1.26 -4.01 117.98 114.86 1bnr s PHE 106 Ca -0.03 0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.00 1bnr s PHE 106 Cb 0.00 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1bnr s PHE 106 CO -0.05 -0.31 0.00 0.99 -0.10 0.00 0.00 175.22 175.75 1bnr s THR 107 N 2.15 4.11 -0.37 0.64 2.01 -0.56 -4.84 115.64 118.78 1bnr s THR 107 Ca 0.04 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1bnr s THR 107 Cb -0.13 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1bnr s THR 107 CO -0.05 0.45 1.16 -0.75 -0.69 0.00 0.00 174.62 174.74 1bnr s LYS 108 N 0.69 3.91 -0.05 4.92 2.36 -1.26 -1.10 119.74 129.20 1bnr s LYS 108 Ca 0.00 0.96 0.11 0.00 -2.55 0.00 0.00 55.97 54.49 1bnr s LYS 108 Cb -0.14 -3.83 -0.16 0.00 -1.05 0.00 0.00 37.83 32.65 1bnr s LYS 108 CO 0.02 -1.12 0.16 0.44 1.55 0.00 0.00 175.35 176.40 1bnr n ILE 109 N 6.29 0.32 -1.77 5.43 -5.35 -0.65 -5.01 119.36 118.61 1bnr n ILE 109 Ca 0.13 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1bnr n ILE 109 Cb 0.48 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33