#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr n GLN 2 N 0.00 -2.85 -4.00 0.00 0.00 -1.26 -5.08 117.38 104.19 1bnr n GLN 2 Ca 0.00 2.34 -0.10 0.00 -0.00 0.00 0.00 57.00 59.24 1bnr n GLN 2 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 30.24 26.44 1bnr n GLN 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1bnr s VAL 3 N -0.62 0.00 -0.52 1.69 -7.23 -1.26 -5.11 120.40 107.35 1bnr s VAL 3 Ca -0.14 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.48 1bnr s VAL 3 Cb 0.01 -2.28 0.12 0.00 0.56 0.00 0.00 36.38 34.79 1bnr s VAL 3 CO 0.52 0.00 0.45 -0.63 -0.31 0.00 0.00 175.10 175.14 1bnr s ILE 4 N -3.84 4.94 -0.36 -0.62 1.01 -1.26 -4.91 121.20 116.16 1bnr s ILE 4 Ca 0.23 -1.55 0.13 0.00 0.00 0.00 0.00 60.65 59.46 1bnr s ILE 4 Cb -0.01 -4.17 0.37 0.00 0.01 0.00 0.00 42.46 38.66 1bnr s ILE 4 CO 0.10 -0.83 0.78 -0.46 0.00 0.00 0.00 174.94 174.54 1bnr n ASN 5 N 5.15 1.04 -2.68 3.58 6.94 -1.26 -4.70 115.26 123.32 1bnr n ASN 5 Ca -0.12 -2.96 -0.14 0.00 -0.02 0.00 0.00 54.58 51.34 1bnr n ASN 5 Cb 0.40 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 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 0.20 0.00 0.04 5.53 -2.24 -1.26 -0.37 114.28 116.18 1bnr n THR 6 Ca 0.22 -1.74 -0.07 0.00 -2.27 0.00 0.00 64.05 60.18 1bnr n THR 6 Cb 0.69 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 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 1.82 -0.20 -0.23 4.78 0.04 -1.98 -1.90 116.94 119.28 1bnr h PHE 7 Ca -0.19 -0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.41 1bnr h PHE 7 Cb 0.93 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 1bnr h PHE 7 CO 0.00 0.09 -0.52 -0.44 -0.60 0.00 0.00 178.31 176.84 1bnr h ASP 8 N -1.00 0.73 0.06 2.17 5.19 -1.98 -0.96 116.42 120.64 1bnr h ASP 8 Ca -0.02 -0.38 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1bnr h ASP 8 Cb 0.38 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1bnr h ASP 8 CO 0.04 1.12 -0.03 1.23 -3.12 0.00 0.00 179.24 178.47 1bnr h GLY 9 N 0.95 -0.08 1.05 2.75 0.00 -1.97 -0.65 103.07 105.12 1bnr h GLY 9 Ca 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 1bnr h GLY 9 CO 0.10 -0.03 0.21 -2.08 0.00 0.00 0.00 176.54 174.74 1bnr h VAL 10 N -0.33 1.26 -0.69 4.60 2.07 -1.37 -1.48 116.25 120.31 1bnr h VAL 10 Ca -0.01 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1bnr h VAL 10 Cb 0.29 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1bnr h VAL 10 CO 0.01 0.36 0.46 0.00 0.02 0.00 0.00 177.57 178.42 1bnr h ALA 11 N 1.10 1.59 0.38 1.67 0.00 -1.02 0.16 119.26 123.14 1bnr h ALA 11 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1bnr h ALA 11 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bnr h ALA 11 CO -0.00 0.34 -0.18 -0.44 0.00 0.00 0.00 179.25 178.97 1bnr h ASP 12 N 0.85 -0.44 0.02 0.00 3.32 -0.28 -1.51 116.42 118.38 1bnr h ASP 12 Ca 0.27 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1bnr h ASP 12 Cb 0.03 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1bnr h ASP 12 CO -0.07 -0.08 0.00 0.22 -1.72 0.00 0.00 179.24 177.59 1bnr h TYR 13 N -0.84 0.00 0.12 4.55 3.20 -0.88 0.24 116.97 123.35 1bnr h TYR 13 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1bnr h TYR 13 Cb 0.54 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1bnr h TYR 13 CO 0.02 0.00 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.41 1bnr h LEU 14 N 0.00 -0.13 0.00 2.82 3.38 -0.22 -0.52 115.31 120.63 1bnr h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bnr h LEU 14 Cb 0.01 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bnr h LEU 14 CO 0.00 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1bnr n GLN 15 N -3.98 0.07 -0.06 1.13 10.64 -0.61 0.77 117.38 125.34 1bnr n GLN 15 Ca -0.02 0.20 -0.05 0.00 -1.83 0.00 0.00 57.00 55.31 1bnr n GLN 15 Cb 0.06 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.93 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1bnr n THR 16 N -1.43 1.09 1.39 -0.39 -1.04 0.81 -4.43 114.28 110.29 1bnr n THR 16 Ca 0.05 0.27 0.12 0.00 -2.04 0.00 0.00 64.05 62.45 1bnr n THR 16 Cb 0.16 -2.17 0.47 0.00 -1.82 0.00 0.00 70.33 66.97 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 -4.02 0.10 -4.25 -1.42 4.02 -0.21 -4.92 117.16 106.45 1bnr n TYR 17 Ca -0.07 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.90 57.45 1bnr n TYR 17 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.20 -1.41 0.00 -0.72 8.25 0.23 -4.87 115.22 116.90 1bnr n HIS 18 Ca 0.18 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1bnr n HIS 18 Cb 0.33 -2.90 0.00 0.00 1.12 0.00 0.00 29.99 28.54 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 -4.43 0.00 -0.92 -0.41 2.85 -1.23 -5.04 118.16 108.98 1bnr n LYS 19 Ca -0.19 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.72 1bnr n LYS 19 Cb 0.63 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 35.08 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 -3.82 -4.47 -5.58 4.77 -1.26 -4.68 117.00 101.96 1bnr n LEU 20 Ca 0.00 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.86 1bnr n LEU 20 Cb 0.00 -0.91 0.12 0.00 -2.33 0.00 0.00 43.42 40.30 1bnr n LEU 20 CO 0.00 -5.00 0.07 -2.65 -1.33 0.00 0.00 177.39 168.48 1bnr n PRO 21 N 0.93 -0.20 0.00 3.23 -0.02 -1.26 -4.83 135.00 132.86 1bnr n PRO 21 Ca 0.01 -0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.58 1bnr n PRO 21 Cb 0.56 -1.95 0.51 0.00 -0.02 0.00 0.00 33.50 32.60 1bnr n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bnr n ASP 22 N -1.61 0.00 -0.80 2.55 5.75 -1.26 -2.01 116.55 119.18 1bnr n ASP 22 Ca 0.08 -0.19 0.07 0.00 -0.01 0.00 0.00 54.79 54.75 1bnr n ASP 22 Cb 0.53 -0.19 0.17 0.00 -1.03 0.00 0.00 41.12 40.60 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bnr n ASN 23 N -1.19 3.02 -4.28 -1.12 6.94 -1.26 -4.78 115.26 112.58 1bnr n ASN 23 Ca 0.11 -1.92 -0.44 0.00 -0.02 0.00 0.00 54.58 52.31 1bnr n ASN 23 Cb 0.12 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 1bnr n ASN 23 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1bnr n TYR 24 N 0.85 4.40 -3.19 -2.53 4.02 -0.85 0.26 117.16 120.12 1bnr n TYR 24 Ca 0.14 -3.28 -0.39 0.00 -0.01 0.00 0.00 57.90 54.37 1bnr n TYR 24 Cb 0.46 -1.99 -0.05 0.00 -0.02 0.00 0.00 39.34 37.73 1bnr n TYR 24 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1bnr s ILE 25 N 0.53 5.12 1.04 -0.72 -4.36 0.12 -3.88 121.20 119.04 1bnr s ILE 25 Ca 0.39 1.16 -0.24 0.00 -0.26 0.00 0.00 60.65 61.70 1bnr s ILE 25 Cb -0.01 -3.91 -0.09 0.00 1.25 0.00 0.00 42.46 39.70 1bnr s ILE 25 CO -0.00 0.27 -0.99 0.35 0.24 0.00 0.00 174.94 174.81 1bnr n THR 26 N 3.84 0.00 -0.05 8.37 -2.24 -1.24 -3.62 114.28 119.33 1bnr n THR 26 Ca -0.04 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1bnr n THR 26 Cb 0.51 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.38 0.30 -0.90 -0.78 1.57 -1.94 -2.56 116.57 110.88 1bnr h LYS 27 Ca -0.44 -0.12 0.15 0.00 -1.87 0.00 0.00 60.65 58.37 1bnr h LYS 27 Cb 1.38 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 1bnr h LYS 27 CO 0.27 0.59 0.58 0.77 -0.57 0.00 0.00 179.45 181.09 1bnr h SER 28 N -0.01 0.64 -0.92 0.86 0.02 -1.98 0.33 113.55 112.49 1bnr h SER 28 Ca 0.04 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1bnr h SER 28 Cb 0.48 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1bnr h SER 28 CO 0.02 0.32 0.60 -0.33 -1.14 0.00 0.00 176.83 176.30 1bnr h GLU 29 N 0.67 1.15 -0.30 3.45 5.08 -1.76 0.09 114.58 122.97 1bnr h GLU 29 Ca 0.45 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.65 1bnr h GLU 29 Cb 0.76 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1bnr h GLU 29 CO -0.21 0.76 -0.21 0.00 -1.00 0.00 0.00 179.01 178.35 1bnr h ALA 30 N 1.37 1.08 -0.35 3.43 0.00 -0.14 -2.03 119.26 122.62 1bnr h ALA 30 Ca 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bnr h ALA 30 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bnr h ALA 30 CO -0.11 0.56 0.09 1.96 0.00 0.00 0.00 179.25 181.76 1bnr h GLN 31 N 0.50 0.50 -0.59 0.00 1.08 0.26 -1.65 115.11 115.21 1bnr h GLN 31 Ca 0.08 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1bnr h GLN 31 Cb 0.64 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1bnr h GLN 31 CO 0.05 0.46 0.25 0.00 -0.95 0.00 0.00 178.83 178.63 1bnr h ALA 32 N 1.61 1.32 -0.00 3.87 0.00 -0.39 -0.97 119.26 124.71 1bnr h ALA 32 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bnr h ALA 32 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bnr h ALA 32 CO -0.01 0.51 -0.03 1.28 0.00 0.00 0.00 179.25 181.01 1bnr n LEU 33 N -4.33 0.10 0.00 0.00 4.32 -0.66 -4.88 117.00 111.54 1bnr n LEU 33 Ca 0.05 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1bnr n LEU 33 Cb 0.16 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1bnr n LEU 33 CO 0.39 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1bnr n GLY 34 N 1.29 0.75 2.85 -0.72 0.00 -0.37 -4.84 105.19 104.15 1bnr n GLY 34 Ca 0.14 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.41 1.24 -0.44 1.61 -0.00 -0.94 -4.69 118.94 114.32 1bnr s TRP 35 Ca 0.00 -0.61 -0.21 0.00 -0.00 0.00 0.00 56.10 55.27 1bnr s TRP 35 Cb 0.00 -1.10 0.02 0.00 -0.00 0.00 0.00 33.47 32.39 1bnr s TRP 35 CO 0.00 -0.48 0.68 0.08 -0.00 0.00 0.00 176.95 177.24 1bnr s VAL 36 N 1.79 4.78 0.63 5.86 1.01 -1.26 -4.10 120.40 129.11 1bnr s VAL 36 Ca 0.04 0.21 0.24 0.00 0.00 0.00 0.00 61.98 62.48 1bnr s VAL 36 Cb -0.13 -4.24 0.30 0.00 0.00 0.00 0.00 36.38 32.31 1bnr s VAL 36 CO -0.07 -0.62 1.66 0.00 0.00 0.00 0.00 175.10 176.06 1bnr h ALA 37 N 8.89 2.02 -1.38 5.51 0.00 -1.98 -0.59 119.26 131.73 1bnr h ALA 37 Ca -0.25 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 53.91 1bnr h ALA 37 Cb 1.09 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 1bnr h ALA 37 CO 0.91 -0.82 0.56 0.43 0.00 0.00 0.00 179.25 180.33 1bnr n SER 38 N -3.18 6.62 0.02 0.00 7.64 -1.26 -4.53 113.62 118.93 1bnr n SER 38 Ca 0.06 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.21 1bnr n SER 38 Cb 0.78 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1bnr n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bnr n LYS 39 N -0.28 0.00 -0.21 1.43 4.76 -0.23 -5.03 118.16 118.59 1bnr n LYS 39 Ca 0.45 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 1bnr n LYS 39 Cb 0.32 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1bnr n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bnr n GLY 40 N 0.08 0.89 1.96 0.72 0.00 -1.25 -4.84 105.19 102.76 1bnr n GLY 40 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.01 3.97 0.06 1.61 2.04 -1.26 -3.73 115.26 117.95 1bnr n ASN 41 Ca 0.00 -3.25 -0.05 0.00 -0.44 0.00 0.00 54.58 50.83 1bnr n ASN 41 Cb 0.00 -0.79 -0.03 0.00 -2.53 0.00 0.00 39.78 36.43 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bnr h LEU 42 N 1.14 -0.48 -1.19 -4.53 5.85 -1.91 0.15 115.31 114.33 1bnr h LEU 42 Ca 0.49 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.25 1bnr h LEU 42 Cb 2.26 0.17 0.00 0.00 0.37 0.00 0.00 40.66 43.46 1bnr h LEU 42 CO 0.89 -0.19 0.14 0.00 -0.34 0.00 0.00 178.44 178.93 1bnr n ALA 43 N -2.54 0.85 0.09 1.25 0.00 -1.26 -0.79 120.51 118.12 1bnr n ALA 43 Ca -0.03 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 1bnr n ALA 43 Cb 0.14 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 1bnr n ALA 43 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1bnr h ASP 44 N 0.00 0.35 0.00 0.00 1.82 -1.06 -3.27 116.42 114.25 1bnr h ASP 44 Ca 0.00 -0.36 -0.29 0.00 -0.39 0.00 0.00 57.03 55.99 1bnr h ASP 44 Cb 0.27 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 1bnr h ASP 44 CO 0.00 1.26 -1.98 1.33 -1.61 0.00 0.00 179.24 178.25 1bnr n VAL 45 N -3.52 1.51 -3.73 2.25 0.24 -0.02 -4.76 118.33 110.30 1bnr n VAL 45 Ca -0.07 -0.19 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1bnr n VAL 45 Cb 0.98 -2.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.22 1bnr n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnr s ALA 46 N -2.65 4.12 1.01 2.33 0.00 0.03 -5.01 121.76 121.58 1bnr s ALA 46 Ca -0.35 -3.85 -0.11 0.00 0.00 0.00 0.00 51.96 47.64 1bnr s ALA 46 Cb 0.11 -2.60 0.20 0.00 0.00 0.00 0.00 23.12 20.82 1bnr s ALA 46 CO 0.46 -2.13 1.09 -1.25 0.00 0.00 0.00 175.76 173.93 1bnr s PRO 47 N -1.41 0.30 -1.49 0.00 0.04 -1.23 -3.48 135.00 127.72 1bnr s PRO 47 Ca 0.27 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1bnr s PRO 47 Cb -0.06 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1bnr s PRO 47 CO -0.14 -2.98 0.16 0.41 0.04 0.00 0.00 177.00 174.49 1bnr n GLY 48 N 0.13 -0.20 2.73 0.56 0.00 -1.26 -4.92 105.19 102.24 1bnr n GLY 48 Ca 0.07 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -7.15 0.26 0.42 1.61 -0.14 -1.23 -4.92 119.74 108.60 1bnr s LYS 49 Ca 0.03 -0.05 -0.04 0.00 -1.36 0.00 0.00 55.97 54.56 1bnr s LYS 49 Cb -0.02 -0.90 -0.04 0.00 -1.68 0.00 0.00 37.83 35.20 1bnr s LYS 49 CO 0.97 -0.89 0.69 -1.12 -0.76 0.00 0.00 175.35 174.24 1bnr s SER 50 N 2.32 6.30 -0.16 2.83 0.01 0.14 -4.87 113.70 120.29 1bnr s SER 50 Ca 0.09 0.77 -0.09 0.00 1.31 0.00 0.00 55.95 58.03 1bnr s SER 50 Cb -0.15 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1bnr s SER 50 CO -0.26 -0.45 0.15 -0.63 0.41 0.00 0.00 173.24 172.47 1bnr s ILE 51 N -2.53 5.44 -0.22 1.44 -1.09 -1.26 0.13 121.20 123.11 1bnr s ILE 51 Ca 0.45 0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.81 1bnr s ILE 51 Cb -0.10 -3.45 0.16 0.00 -1.58 0.00 0.00 42.46 37.48 1bnr s ILE 51 CO 0.40 0.52 1.17 -0.83 -1.23 0.00 0.00 174.94 174.97 1bnr s GLY 52 N -0.29 -0.09 0.00 6.18 0.00 -1.24 -0.98 107.32 110.91 1bnr s GLY 52 Ca 0.12 2.45 0.00 0.00 0.00 0.00 0.00 44.72 47.29 1bnr s GLY 52 CO 0.01 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.84 1bnr n GLY 53 N 0.71 1.86 3.88 0.20 0.00 -0.55 -3.71 105.19 107.58 1bnr n GLY 53 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 6.54 0.46 1.61 1.11 -0.97 -4.90 116.67 118.52 1bnr s ASP 54 Ca 0.00 0.63 -0.24 0.00 0.18 0.00 0.00 52.55 53.12 1bnr s ASP 54 Cb 0.00 -2.11 -0.07 0.00 1.07 0.00 0.00 42.92 41.80 1bnr s ASP 54 CO 0.00 0.21 1.27 -0.63 1.18 0.00 0.00 175.17 177.20 1bnr s ILE 55 N -1.36 2.63 -0.51 0.77 -1.09 -1.26 -1.29 121.20 119.09 1bnr s ILE 55 Ca 0.31 0.51 0.04 0.00 -2.23 0.00 0.00 60.65 59.27 1bnr s ILE 55 Cb -0.13 -3.27 0.13 0.00 -1.58 0.00 0.00 42.46 37.60 1bnr s ILE 55 CO 0.18 0.02 0.26 0.12 -1.23 0.00 0.00 174.94 174.29 1bnr s PHE 56 N -1.37 3.01 -1.50 3.97 5.36 -0.38 -4.73 117.98 122.33 1bnr s PHE 56 Ca 0.63 -3.07 0.15 0.00 -0.96 0.00 0.00 56.93 53.69 1bnr s PHE 56 Cb -0.35 -2.69 0.80 0.00 -0.34 0.00 0.00 43.02 40.44 1bnr s PHE 56 CO 0.44 -0.75 1.42 -1.13 -1.46 0.00 0.00 175.22 173.74 1bnr n SER 57 N 3.17 0.00 -1.97 6.13 3.41 -1.26 -2.52 113.62 120.58 1bnr n SER 57 Ca 0.05 -0.01 -0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1bnr n SER 57 Cb 0.32 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1bnr n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bnr n ASN 58 N -1.25 -3.12 -0.34 4.04 2.85 -1.26 -4.90 115.26 111.28 1bnr n ASN 58 Ca 0.08 -0.21 0.15 0.00 -0.11 0.00 0.00 54.58 54.49 1bnr n ASN 58 Cb 0.11 -1.92 0.35 0.00 1.24 0.00 0.00 39.78 39.56 1bnr n ASN 58 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1bnr h ARG 59 N -0.38 0.60 0.00 1.20 9.65 -1.98 -3.13 114.38 120.35 1bnr h ARG 59 Ca -0.18 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1bnr h ARG 59 Cb 1.10 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 1bnr h ARG 59 CO 0.14 0.40 -0.05 1.49 2.80 0.00 0.00 179.97 184.75 1bnr h GLU 60 N 0.62 0.00 0.00 0.20 4.81 -1.90 -3.50 114.58 114.81 1bnr h GLU 60 Ca 0.61 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1bnr h GLU 60 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1bnr h GLU 60 CO -0.45 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.24 1bnr n GLY 61 N 1.85 0.53 0.00 1.92 0.00 -1.18 -5.06 105.19 103.25 1bnr n GLY 61 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.95 -3.41 1.61 4.76 -1.26 -5.05 118.16 115.76 1bnr n LYS 62 Ca 0.00 -0.21 -0.34 0.00 -2.87 0.00 0.00 58.31 54.89 1bnr n LYS 62 Cb 0.00 -0.65 -0.06 0.00 -1.84 0.00 0.00 35.03 32.48 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnr s LEU 63 N -0.39 4.28 0.77 -0.35 1.43 -1.26 -4.91 118.68 118.25 1bnr s LEU 63 Ca 0.00 0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 53.94 1bnr s LEU 63 Cb 0.00 -3.37 0.06 0.00 0.03 0.00 0.00 46.19 42.91 1bnr s LEU 63 CO 0.00 0.05 1.19 -2.16 0.23 0.00 0.00 176.35 175.66 1bnr s PRO 64 N -2.26 1.88 0.00 1.29 0.04 -1.26 -4.92 135.00 129.77 1bnr s PRO 64 Ca 0.40 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1bnr s PRO 64 Cb -0.13 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1bnr s PRO 64 CO 0.20 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1bnr n GLY 65 N 0.29 0.92 3.72 0.56 0.00 -1.26 -5.08 105.19 104.34 1bnr n GLY 65 Ca 0.13 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.38 2.30 -0.36 1.61 -0.14 -1.26 -5.02 119.74 115.48 1bnr s LYS 66 Ca 0.00 -1.65 -0.28 0.00 -1.36 0.00 0.00 55.97 52.69 1bnr s LYS 66 Cb 0.00 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.01 1bnr s LYS 66 CO 0.00 0.05 2.02 -1.12 -0.76 0.00 0.00 175.35 175.54 1bnr s SER 67 N -3.85 5.46 0.00 2.83 0.01 -1.26 -1.78 113.70 115.11 1bnr s SER 67 Ca 0.38 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1bnr s SER 67 Cb -0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1bnr s SER 67 CO 0.22 -2.05 0.00 0.61 0.41 0.00 0.00 173.24 172.43 1bnr n GLY 68 N 5.64 0.69 3.88 3.44 0.00 -1.26 -5.12 105.19 112.46 1bnr n GLY 68 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 3.74 0.15 1.61 3.52 -0.74 -5.08 118.95 122.15 1bnr s ARG 69 Ca 0.00 0.41 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 1bnr s ARG 69 Cb 0.00 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.95 1bnr s ARG 69 CO 0.00 -0.04 0.02 0.99 -0.81 0.00 0.00 175.30 175.46 1bnr s THR 70 N -2.40 3.90 0.36 4.11 2.01 -1.26 -4.94 115.64 117.41 1bnr s THR 70 Ca 0.50 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1bnr s THR 70 Cb -0.10 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1bnr s THR 70 CO 0.33 -0.05 0.09 0.26 -0.69 0.00 0.00 174.62 174.56 1bnr s TRP 71 N -1.62 1.85 0.03 4.92 0.52 -1.05 -4.66 118.94 118.94 1bnr s TRP 71 Ca 0.27 -1.10 0.08 0.00 0.02 0.00 0.00 56.10 55.37 1bnr s TRP 71 Cb -0.10 -1.21 -0.02 0.00 -1.15 0.00 0.00 33.47 30.99 1bnr s TRP 71 CO 0.19 -0.14 -0.24 1.03 0.02 0.00 0.00 176.95 177.82 1bnr s ARG 72 N -3.84 1.67 0.11 4.98 0.52 0.04 -1.25 118.95 121.17 1bnr s ARG 72 Ca 0.31 -0.97 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1bnr s ARG 72 Cb 0.06 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.73 1bnr s ARG 72 CO 0.15 0.46 -0.19 -1.83 0.02 0.00 0.00 175.30 173.91 1bnr s GLU 73 N -1.03 1.07 0.00 3.54 4.04 -0.41 -0.40 118.70 125.51 1bnr s GLU 73 Ca 0.09 -1.16 -0.05 0.00 0.04 0.00 0.00 54.97 53.90 1bnr s GLU 73 Cb -0.09 -1.23 -0.00 0.00 0.02 0.00 0.00 34.13 32.83 1bnr s GLU 73 CO 0.01 0.28 0.09 0.00 -1.84 0.00 0.00 175.26 173.79 1bnr s ALA 74 N -1.38 -0.19 0.10 -0.84 0.00 -0.04 -1.48 121.76 117.93 1bnr s ALA 74 Ca 0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1bnr s ALA 74 Cb -0.09 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1bnr s ALA 74 CO 0.04 -0.18 1.10 -0.51 0.00 0.00 0.00 175.76 176.22 1bnr s ASP 75 N -1.25 7.24 -0.11 0.00 1.11 -0.15 -1.25 116.67 122.26 1bnr s ASP 75 Ca -0.13 1.96 -0.01 0.00 0.18 0.00 0.00 52.55 54.55 1bnr s ASP 75 Cb -0.08 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1bnr s ASP 75 CO 0.01 -0.30 -0.07 -0.63 1.18 0.00 0.00 175.17 175.35 1bnr s ILE 76 N 0.47 3.61 0.37 0.77 -1.09 -0.58 -4.82 121.20 119.93 1bnr s ILE 76 Ca 0.53 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1bnr s ILE 76 Cb -0.27 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 1bnr s ILE 76 CO 0.31 0.55 0.00 0.59 -1.23 0.00 0.00 174.94 175.16 1bnr n ASN 77 N 2.93 -7.99 -3.64 3.58 3.02 0.50 -4.56 115.26 109.11 1bnr n ASN 77 Ca -0.18 1.11 -0.02 0.00 -0.03 0.00 0.00 54.58 55.46 1bnr n ASN 77 Cb 0.53 -4.04 -0.06 0.00 -0.61 0.00 0.00 39.78 35.59 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bnr s TYR 78 N -2.39 -0.51 0.00 3.10 5.04 -1.26 -4.90 117.35 116.43 1bnr s TYR 78 Ca 0.00 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1bnr s TYR 78 Cb 0.00 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1bnr s TYR 78 CO 0.00 -0.25 0.00 0.25 -1.34 0.00 0.00 175.55 174.21 1bnr n THR 79 N 3.65 0.00 -3.74 4.34 -2.24 -1.26 -5.10 114.28 109.92 1bnr n THR 79 Ca -0.18 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1bnr n THR 79 Cb 0.57 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.29 0.00 3.42 0.01 -1.26 -4.84 113.70 111.74 1bnr s SER 80 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1bnr s SER 80 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1bnr s SER 80 CO 0.00 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.15 1bnr n GLY 81 N -0.37 -0.36 0.81 3.44 0.00 -1.24 -4.95 105.19 102.51 1bnr n GLY 81 Ca -0.09 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 1bnr n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bnr n PHE 82 N 0.00 -3.11 0.00 1.61 3.01 -1.26 -4.45 117.46 113.26 1bnr n PHE 82 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1bnr n PHE 82 Cb 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.20 1bnr n PHE 82 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bnr n ARG 83 N -2.35 2.21 -3.70 -1.08 5.12 -1.26 -4.96 116.66 110.63 1bnr n ARG 83 Ca 0.04 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.81 1bnr n ARG 83 Cb 0.14 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.38 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bnr n ASN 84 N 0.00 -0.69 -0.33 0.55 6.94 -1.26 -5.05 115.26 115.42 1bnr n ASN 84 Ca 0.00 -2.68 0.06 0.00 -0.02 0.00 0.00 54.58 51.95 1bnr n ASN 84 Cb 0.00 1.49 0.13 0.00 -2.36 0.00 0.00 39.78 39.05 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1bnr n SER 85 N -1.91 2.71 -4.44 0.53 7.64 -1.26 -4.98 113.62 111.91 1bnr n SER 85 Ca 0.05 -2.62 -0.33 0.00 1.01 0.00 0.00 58.87 56.97 1bnr n SER 85 Cb 0.47 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bnr s ASP 86 N -1.88 4.41 0.01 6.43 1.01 -1.26 -0.13 116.67 125.25 1bnr s ASP 86 Ca 0.25 -0.22 -0.21 0.00 0.71 0.00 0.00 52.55 53.08 1bnr s ASP 86 Cb 0.20 -1.66 0.04 0.00 1.01 0.00 0.00 42.92 42.51 1bnr s ASP 86 CO 0.06 0.18 0.46 -0.13 0.21 0.00 0.00 175.17 175.95 1bnr s ARG 87 N 0.28 0.90 -0.07 8.23 0.52 -0.57 -1.53 118.95 126.71 1bnr s ARG 87 Ca -0.06 -0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1bnr s ARG 87 Cb -0.15 0.41 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 1bnr s ARG 87 CO 0.04 -0.29 -0.12 -1.50 0.02 0.00 0.00 175.30 173.45 1bnr s ILE 88 N -1.85 3.20 -0.27 1.52 2.07 -0.38 -1.26 121.20 124.23 1bnr s ILE 88 Ca -0.09 -0.66 -0.06 0.00 -1.41 0.00 0.00 60.65 58.44 1bnr s ILE 88 Cb -0.02 -2.28 0.01 0.00 0.13 0.00 0.00 42.46 40.30 1bnr s ILE 88 CO 0.02 0.58 0.04 -0.76 -1.91 0.00 0.00 174.94 172.91 1bnr s LEU 89 N -0.57 3.56 -0.04 8.50 2.01 -0.32 -0.86 118.68 130.96 1bnr s LEU 89 Ca 0.08 -0.64 -0.02 0.00 0.01 0.00 0.00 54.13 53.56 1bnr s LEU 89 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 46.19 44.22 1bnr s LEU 89 CO 0.01 -0.14 0.06 -0.72 1.01 0.00 0.00 176.35 176.57 1bnr s TYR 90 N 1.48 3.28 0.46 0.29 1.13 0.46 -1.48 117.35 122.96 1bnr s TYR 90 Ca 0.03 0.24 0.07 0.00 -1.41 0.00 0.00 57.07 56.00 1bnr s TYR 90 Cb -0.16 -1.77 0.00 0.00 -1.10 0.00 0.00 41.96 38.92 1bnr s TYR 90 CO 0.01 0.55 0.43 0.45 -2.51 0.00 0.00 175.55 174.47 1bnr s SER 91 N -1.39 4.99 0.52 -0.18 0.15 0.16 -0.78 113.70 117.18 1bnr s SER 91 Ca 0.19 -0.85 0.27 0.00 0.70 0.00 0.00 55.95 56.26 1bnr s SER 91 Cb -0.12 -0.29 1.45 0.00 -1.71 0.00 0.00 66.02 65.35 1bnr s SER 91 CO 0.09 -0.82 2.08 0.77 1.20 0.00 0.00 173.24 176.56 1bnr h SER 92 N 0.88 0.00 -0.29 5.45 4.64 -1.91 -0.28 113.55 122.03 1bnr h SER 92 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bnr h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bnr h SER 92 CO 0.55 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1bnr n ASP 93 N -3.66 3.18 -1.39 4.97 5.75 -1.26 -4.84 116.55 119.30 1bnr n ASP 93 Ca -0.02 -2.41 -0.13 0.00 -0.01 0.00 0.00 54.79 52.22 1bnr n ASP 93 Cb 0.23 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.33 -0.50 -2.58 2.11 5.03 -0.12 -4.94 117.44 116.78 1bnr n TRP 94 Ca 0.13 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.24 1bnr n TRP 94 Cb 0.67 -2.76 -0.02 0.00 -1.03 0.00 0.00 31.31 28.17 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 -3.60 3.47 -0.36 -0.99 1.43 -1.24 -4.74 118.68 112.66 1bnr s LEU 95 Ca 0.00 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1bnr s LEU 95 Cb 0.00 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 43.01 1bnr s LEU 95 CO 0.00 -1.46 0.19 -0.63 0.23 0.00 0.00 176.35 174.69 1bnr s ILE 96 N 4.92 4.58 0.18 -0.59 1.01 -1.15 -0.66 121.20 129.49 1bnr s ILE 96 Ca 0.44 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1bnr s ILE 96 Cb -0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1bnr s ILE 96 CO 0.26 -0.15 -0.02 -0.31 0.00 0.00 0.00 174.94 174.72 1bnr s TYR 97 N 1.57 2.80 0.00 3.97 1.51 -0.55 -1.56 117.35 125.09 1bnr s TYR 97 Ca 0.03 -0.16 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1bnr s TYR 97 Cb -0.19 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1bnr s TYR 97 CO 0.07 0.52 -0.23 -1.59 -1.11 0.00 0.00 175.55 173.21 1bnr s LYS 98 N -2.96 1.74 -0.11 -0.62 -2.85 -0.17 -1.17 119.74 113.58 1bnr s LYS 98 Ca 0.27 -0.87 -0.00 0.00 -1.00 0.00 0.00 55.97 54.36 1bnr s LYS 98 Cb -0.09 -1.74 0.02 0.00 -2.06 0.00 0.00 37.83 33.96 1bnr s LYS 98 CO 0.18 0.47 -0.07 -0.08 0.10 0.00 0.00 175.35 175.94 1bnr s THR 99 N -0.62 1.01 -0.37 3.79 -1.32 -0.39 -1.21 115.64 116.54 1bnr s THR 99 Ca 0.09 -0.28 0.07 0.00 -1.21 0.00 0.00 61.69 60.36 1bnr s THR 99 Cb -0.09 -1.03 0.62 0.00 -1.51 0.00 0.00 72.50 70.49 1bnr s THR 99 CO 0.00 0.37 1.73 0.35 -2.21 0.00 0.00 174.62 174.86 1bnr n THR 100 N 4.94 2.92 -2.08 5.08 -2.24 -1.26 -1.51 114.28 120.13 1bnr n THR 100 Ca -0.12 -2.14 -0.00 0.00 -2.27 0.00 0.00 64.05 59.51 1bnr n THR 100 Cb 0.50 -0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1bnr n THR 100 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bnr n ASP 101 N -0.96 0.05 -1.69 3.42 9.92 -1.08 -4.76 116.55 121.45 1bnr n ASP 101 Ca 0.47 -1.70 -0.01 0.00 -0.53 0.00 0.00 54.79 53.01 1bnr n ASP 101 Cb 1.39 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.77 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1bnr n HIS 102 N 0.08 -0.50 -4.04 1.24 -0.00 0.82 -4.27 115.22 108.55 1bnr n HIS 102 Ca -0.02 0.20 -0.32 0.00 -0.00 0.00 0.00 57.72 57.58 1bnr n HIS 102 Cb 0.71 -1.87 -0.03 0.00 -0.00 0.00 0.00 29.99 28.81 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 -0.47 -1.52 0.00 1.57 4.01 -1.26 -4.87 117.16 114.62 1bnr n TYR 103 Ca 0.02 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 1bnr n TYR 103 Cb 0.07 -3.23 0.00 0.00 -0.31 0.00 0.00 39.34 35.87 1bnr n TYR 103 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bnr n GLN 104 N -4.56 0.00 -2.98 -0.72 1.13 -1.26 -4.87 117.38 104.12 1bnr n GLN 104 Ca -0.24 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.38 1bnr n GLN 104 Cb 0.65 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.95 1bnr n GLN 104 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1bnr s THR 105 N 0.00 4.60 -0.21 5.09 -4.23 -1.26 -4.97 115.64 114.66 1bnr s THR 105 Ca 0.00 -0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 1bnr s THR 105 Cb 0.00 -4.44 -0.04 0.00 1.34 0.00 0.00 72.50 69.36 1bnr s THR 105 CO 0.00 -0.99 0.31 -0.36 -0.54 0.00 0.00 174.62 173.04 1bnr s PHE 106 N 3.36 3.36 -0.09 3.99 0.40 -1.25 -3.91 117.98 123.85 1bnr s PHE 106 Ca 0.23 0.49 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1bnr s PHE 106 Cb -0.16 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 1bnr s PHE 106 CO 0.15 0.04 -0.09 0.99 0.70 0.00 0.00 175.22 177.01 1bnr s THR 107 N 1.16 3.45 -0.10 0.64 2.01 -0.35 -4.78 115.64 117.67 1bnr s THR 107 Ca 0.15 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1bnr s THR 107 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1bnr s THR 107 CO 0.06 0.57 1.00 -0.75 -0.69 0.00 0.00 174.62 174.81 1bnr s LYS 108 N -0.37 4.43 -0.01 4.92 2.20 -1.26 -1.00 119.74 128.64 1bnr s LYS 108 Ca 0.05 1.39 0.02 0.00 -0.36 0.00 0.00 55.97 57.07 1bnr s LYS 108 Cb -0.12 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1bnr s LYS 108 CO 0.02 -0.29 0.82 0.44 -0.36 0.00 0.00 175.35 175.98 1bnr n ILE 109 N 4.50 0.60 0.00 5.43 -5.35 -0.60 -4.99 119.36 118.94 1bnr n ILE 109 Ca 0.08 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1bnr n ILE 109 Cb 0.49 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33