#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 2.12 0.02 0.00 -2.07 -1.26 -5.16 119.66 113.31 1bnr s GLN 2 Ca 0.00 -1.34 0.01 0.00 -1.82 0.00 0.00 55.36 52.21 1bnr s GLN 2 Cb 0.00 0.61 -0.04 0.00 -1.09 0.00 0.00 33.01 32.49 1bnr s GLN 2 CO 0.00 -0.99 0.06 0.14 -1.32 0.00 0.00 175.29 173.17 1bnr s VAL 3 N -2.53 4.50 -0.77 3.63 -7.23 -1.26 -5.06 120.40 111.68 1bnr s VAL 3 Ca 0.15 -0.56 -0.16 0.00 -1.81 0.00 0.00 61.98 59.60 1bnr s VAL 3 Cb -0.05 -3.07 0.18 0.00 0.56 0.00 0.00 36.38 33.99 1bnr s VAL 3 CO 0.10 0.30 0.78 -0.63 -0.31 0.00 0.00 175.10 175.34 1bnr s ILE 4 N -1.21 5.31 -0.40 -0.62 1.09 -1.26 -4.85 121.20 119.26 1bnr s ILE 4 Ca 0.23 -2.00 0.10 0.00 -1.10 0.00 0.00 60.65 57.88 1bnr s ILE 4 Cb -0.12 -4.50 0.33 0.00 -1.06 0.00 0.00 42.46 37.11 1bnr s ILE 4 CO 0.15 -1.10 0.85 -0.46 -0.10 0.00 0.00 174.94 174.28 1bnr n ASN 5 N 4.87 -0.26 -0.76 3.58 6.94 -1.26 -4.71 115.26 123.66 1bnr n ASN 5 Ca 0.08 -3.22 0.00 0.00 -0.02 0.00 0.00 54.58 51.42 1bnr n ASN 5 Cb 0.46 0.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.10 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 0.38 0.00 -0.03 5.53 -2.24 -1.26 -0.85 114.28 115.81 1bnr n THR 6 Ca 0.19 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.96 1bnr n THR 6 Cb 0.67 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.76 -0.05 -0.03 4.78 0.04 -1.95 -2.43 116.94 118.05 1bnr h PHE 7 Ca 0.00 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1bnr h PHE 7 Cb 0.00 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1bnr h PHE 7 CO 0.00 -0.03 -0.52 -0.44 -0.60 0.00 0.00 178.31 176.72 1bnr h ASP 8 N -1.02 0.10 0.14 2.17 5.19 -1.98 -1.28 116.42 119.75 1bnr h ASP 8 Ca -0.01 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1bnr h ASP 8 Cb 0.04 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1bnr h ASP 8 CO 0.01 0.61 -0.07 1.23 -3.12 0.00 0.00 179.24 177.90 1bnr h GLY 9 N 1.50 -0.20 0.93 2.75 0.00 -1.96 -0.77 103.07 105.32 1bnr h GLY 9 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1bnr h GLY 9 CO 0.07 -0.07 0.09 -2.08 0.00 0.00 0.00 176.54 174.55 1bnr h VAL 10 N -0.59 1.23 -0.94 4.60 2.07 -1.44 -1.51 116.25 119.67 1bnr h VAL 10 Ca -0.02 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.82 1bnr h VAL 10 Cb 0.45 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1bnr h VAL 10 CO 0.03 0.27 0.60 0.00 0.02 0.00 0.00 177.57 178.49 1bnr h ALA 11 N 0.94 1.56 0.57 1.67 0.00 -1.24 0.15 119.26 122.91 1bnr h ALA 11 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1bnr h ALA 11 Cb 0.31 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bnr h ALA 11 CO 0.00 0.25 -0.27 -0.44 0.00 0.00 0.00 179.25 178.79 1bnr h ASP 12 N 0.98 -0.65 -0.00 0.00 3.32 -0.52 -1.38 116.42 118.17 1bnr h ASP 12 Ca 0.43 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1bnr h ASP 12 Cb 0.36 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1bnr h ASP 12 CO -0.19 -0.36 0.07 0.22 -1.72 0.00 0.00 179.24 177.25 1bnr h TYR 13 N -0.91 0.00 0.23 4.55 5.03 -0.65 0.32 116.97 125.55 1bnr h TYR 13 Ca -0.08 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1bnr h TYR 13 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1bnr h TYR 13 CO -0.01 0.00 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.65 1bnr h LEU 14 N 0.00 -0.26 0.00 2.82 3.38 0.18 -0.81 115.31 120.62 1bnr h LEU 14 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bnr h LEU 14 Cb 0.14 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1bnr h LEU 14 CO -0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1bnr n GLN 15 N -4.10 0.24 -0.02 1.13 6.02 -0.61 0.48 117.38 120.52 1bnr n GLN 15 Ca -0.04 0.12 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1bnr n GLN 15 Cb 0.12 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.30 0.46 0.92 5.09 -1.04 0.11 -4.52 114.28 113.99 1bnr n THR 16 Ca 0.08 0.41 0.12 0.00 -2.04 0.00 0.00 64.05 62.62 1bnr n THR 16 Cb 0.15 -1.78 0.25 0.00 -1.82 0.00 0.00 70.33 67.13 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 -3.02 0.10 -3.14 -1.42 4.02 -0.32 -4.96 117.16 108.41 1bnr n TYR 17 Ca -0.03 0.03 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1bnr n TYR 17 Cb 0.09 -0.34 0.07 0.00 -0.02 0.00 0.00 39.34 39.15 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 -1.61 -2.02 0.00 -0.72 8.25 0.18 -4.98 115.22 114.31 1bnr n HIS 18 Ca 0.05 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 1bnr n HIS 18 Cb 0.36 -4.34 0.00 0.00 1.12 0.00 0.00 29.99 27.13 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 -3.40 0.00 -1.36 -0.41 2.85 -1.23 -5.05 118.16 109.57 1bnr n LYS 19 Ca -0.16 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.70 1bnr n LYS 19 Cb 0.63 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.02 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 -1.60 -4.34 -5.58 4.77 -1.26 -4.66 117.00 104.32 1bnr n LEU 20 Ca 0.00 0.76 -0.33 0.00 -0.03 0.00 0.00 56.01 56.41 1bnr n LEU 20 Cb 0.00 -0.99 0.13 0.00 -2.33 0.00 0.00 43.42 40.23 1bnr n LEU 20 CO 0.00 -3.83 -0.34 -2.65 -1.33 0.00 0.00 177.39 169.24 1bnr n PRO 21 N 0.88 -0.72 0.00 3.23 -0.02 -1.26 -4.80 135.00 132.30 1bnr n PRO 21 Ca 0.10 -0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.47 1bnr n PRO 21 Cb 0.44 -1.75 0.35 0.00 -0.02 0.00 0.00 33.50 32.52 1bnr n PRO 21 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1bnr n ASP 22 N -1.13 0.00 -0.65 2.55 -0.08 -1.26 -1.65 116.55 114.34 1bnr n ASP 22 Ca 0.04 0.21 0.12 0.00 -1.51 0.00 0.00 54.79 53.65 1bnr n ASP 22 Cb 0.57 -0.35 0.37 0.00 2.34 0.00 0.00 41.12 44.05 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1bnr n ASN 23 N -1.35 1.98 -4.33 1.67 0.23 -1.26 -4.69 115.26 107.50 1bnr n ASN 23 Ca 0.06 -1.71 -0.46 0.00 -0.53 0.00 0.00 54.58 51.94 1bnr n ASN 23 Cb 0.13 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.85 3.56 -0.29 -2.53 2.02 -0.66 -1.13 117.35 116.48 1bnr s TYR 24 Ca 0.34 -1.73 -0.12 0.00 -0.37 0.00 0.00 57.07 55.19 1bnr s TYR 24 Cb 0.20 -3.85 -0.04 0.00 -0.40 0.00 0.00 41.96 37.87 1bnr s TYR 24 CO 0.30 -1.04 0.25 0.96 -1.57 0.00 0.00 175.55 174.45 1bnr s ILE 25 N 0.79 5.26 1.04 2.71 -5.25 0.12 -4.49 121.20 121.39 1bnr s ILE 25 Ca 0.14 0.20 -0.24 0.00 -0.99 0.00 0.00 60.65 59.76 1bnr s ILE 25 Cb -0.16 -3.62 -0.08 0.00 2.95 0.00 0.00 42.46 41.55 1bnr s ILE 25 CO -0.05 0.16 -0.93 0.35 -1.79 0.00 0.00 174.94 172.69 1bnr n THR 26 N 5.10 0.00 -0.12 8.37 -2.24 -1.06 -3.59 114.28 120.73 1bnr n THR 26 Ca -0.12 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1bnr n THR 26 Cb 0.51 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.39 0.61 -0.99 -0.78 1.57 -1.90 -2.30 116.57 111.38 1bnr h LYS 27 Ca -0.45 -0.17 0.12 0.00 -1.87 0.00 0.00 60.65 58.28 1bnr h LYS 27 Cb 1.38 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 1bnr h LYS 27 CO 0.28 0.69 0.63 0.77 -0.57 0.00 0.00 179.45 181.24 1bnr h SER 28 N 0.44 0.90 -1.00 0.86 0.02 -1.98 0.25 113.55 113.02 1bnr h SER 28 Ca 0.11 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1bnr h SER 28 Cb 0.39 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1bnr h SER 28 CO 0.01 0.47 0.66 -0.33 -1.14 0.00 0.00 176.83 176.50 1bnr h GLU 29 N 0.96 1.23 -0.63 3.45 5.08 -1.71 -0.41 114.58 122.55 1bnr h GLU 29 Ca 0.49 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1bnr h GLU 29 Cb 0.51 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1bnr h GLU 29 CO -0.26 0.81 0.06 0.00 -1.00 0.00 0.00 179.01 178.63 1bnr h ALA 30 N 1.42 0.92 -0.54 3.43 0.00 -0.20 -1.91 119.26 122.39 1bnr h ALA 30 Ca 0.40 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bnr h ALA 30 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1bnr h ALA 30 CO -0.13 0.66 0.36 1.96 0.00 0.00 0.00 179.25 182.10 1bnr h GLN 31 N 0.98 0.69 -0.68 0.00 4.20 0.13 -0.27 115.11 120.16 1bnr h GLN 31 Ca 0.19 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.90 1bnr h GLN 31 Cb 0.48 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1bnr h GLN 31 CO 0.02 0.45 0.45 0.00 -0.67 0.00 0.00 178.83 179.08 1bnr h ALA 32 N 1.67 1.65 0.00 3.87 0.00 -0.36 0.25 119.26 126.35 1bnr h ALA 32 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bnr h ALA 32 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1bnr h ALA 32 CO -0.05 0.27 -0.11 -0.07 0.00 0.00 0.00 179.25 179.29 1bnr h LEU 33 N 0.78 0.00 0.00 0.00 4.07 -0.97 -3.47 115.31 115.72 1bnr h LEU 33 Ca 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1bnr h LEU 33 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1bnr h LEU 33 CO -0.08 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 1bnr n GLY 34 N 1.28 0.91 3.42 0.83 0.00 0.08 -4.91 105.19 106.80 1bnr n GLY 34 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.25 3.01 -0.38 1.61 -0.00 -0.64 -4.70 118.94 116.59 1bnr s TRP 35 Ca 0.00 -0.53 -0.21 0.00 -0.00 0.00 0.00 56.10 55.36 1bnr s TRP 35 Cb 0.00 -2.07 0.01 0.00 -0.00 0.00 0.00 33.47 31.41 1bnr s TRP 35 CO 0.00 -0.28 0.64 0.08 -0.00 0.00 0.00 176.95 177.39 1bnr s VAL 36 N 1.01 4.87 -0.90 5.86 1.01 -1.26 -4.02 120.40 126.97 1bnr s VAL 36 Ca 0.01 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.53 1bnr s VAL 36 Cb -0.14 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.20 1bnr s VAL 36 CO 0.01 -0.40 1.29 0.00 0.00 0.00 0.00 175.10 176.00 1bnr n ALA 37 N 6.12 1.31 -0.01 5.51 0.00 -1.26 -0.40 120.51 131.78 1bnr n ALA 37 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1bnr n ALA 37 Cb 0.48 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 1bnr n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bnr n SER 38 N -1.62 0.87 -0.41 0.00 7.64 -1.26 -4.05 113.62 114.79 1bnr n SER 38 Ca 0.01 0.41 0.09 0.00 1.01 0.00 0.00 58.87 60.40 1bnr n SER 38 Cb 0.09 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.01 1.46 -3.92 1.43 5.02 -0.61 -5.00 118.16 113.53 1bnr n LYS 39 Ca -0.16 -0.87 -0.39 0.00 -2.02 0.00 0.00 58.31 54.88 1bnr n LYS 39 Cb 1.01 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.68 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 1.27 -0.97 2.29 0.72 0.00 0.47 -4.85 105.19 104.12 1bnr n GLY 40 Ca 0.08 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.33 6.03 0.35 1.61 6.94 -1.25 -4.05 115.26 122.55 1bnr n ASN 41 Ca -0.14 -3.77 -0.18 0.00 -0.02 0.00 0.00 54.58 50.48 1bnr n ASN 41 Cb 0.59 -0.63 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 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 2.28 -1.20 -1.23 -4.53 5.85 -1.88 -0.38 115.31 114.23 1bnr h LEU 42 Ca 0.45 0.08 0.23 0.00 0.84 0.00 0.00 57.88 59.48 1bnr h LEU 42 Cb 1.05 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1bnr h LEU 42 CO 1.10 -0.66 0.99 0.00 -0.34 0.00 0.00 178.44 179.53 1bnr h ALA 43 N -1.14 2.65 0.01 1.25 0.00 -1.87 0.62 119.26 120.77 1bnr h ALA 43 Ca -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1bnr h ALA 43 Cb 0.86 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1bnr h ALA 43 CO 0.04 -1.40 -0.35 0.22 0.00 0.00 0.00 179.25 177.76 1bnr h ASP 44 N 0.00 0.04 0.00 0.00 3.58 -1.47 -3.35 116.42 115.23 1bnr h ASP 44 Ca 0.37 -0.90 -0.33 0.00 0.42 0.00 0.00 57.03 56.60 1bnr h ASP 44 Cb 2.35 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 43.34 1bnr h ASP 44 CO -0.00 1.14 -1.84 1.33 -2.88 0.00 0.00 179.24 176.99 1bnr n VAL 45 N -4.52 1.53 -3.67 2.25 0.24 0.47 -4.70 118.33 109.91 1bnr n VAL 45 Ca -0.15 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 61.67 1bnr n VAL 45 Cb 0.56 -1.99 -0.09 0.00 -1.47 0.00 0.00 33.84 30.84 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 -3.87 3.77 -1.36 2.33 0.00 0.19 -4.98 120.51 116.58 1bnr n ALA 46 Ca -0.41 -4.63 -0.34 0.00 0.00 0.00 0.00 53.44 48.06 1bnr n ALA 46 Cb 0.76 -1.19 0.09 0.00 0.00 0.00 0.00 19.45 19.10 1bnr n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bnr s PRO 47 N -1.81 2.16 -0.67 0.00 0.04 -1.14 -3.92 135.00 129.68 1bnr s PRO 47 Ca 0.30 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 1bnr s PRO 47 Cb 0.01 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1bnr s PRO 47 CO -0.10 -1.81 0.64 0.41 0.04 0.00 0.00 177.00 176.17 1bnr n GLY 48 N 0.33 -0.87 3.38 0.56 0.00 -1.26 -4.97 105.19 102.36 1bnr n GLY 48 Ca 0.13 0.82 -0.07 0.00 0.00 0.00 0.00 46.02 46.90 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 -3.69 0.43 -0.07 1.61 1.02 -1.25 -5.08 119.74 112.70 1bnr s LYS 49 Ca 0.14 1.09 -0.20 0.00 0.02 0.00 0.00 55.97 57.02 1bnr s LYS 49 Cb -0.02 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 1bnr s LYS 49 CO 0.86 -0.21 0.56 -1.12 -0.92 0.00 0.00 175.35 174.52 1bnr s SER 50 N 2.32 6.85 -0.44 2.83 0.01 -0.28 -4.91 113.70 120.08 1bnr s SER 50 Ca -0.05 1.01 -0.21 0.00 1.31 0.00 0.00 55.95 58.01 1bnr s SER 50 Cb -0.11 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.81 1bnr s SER 50 CO -0.15 0.02 0.67 -0.63 0.41 0.00 0.00 173.24 173.57 1bnr s ILE 51 N 0.34 4.79 0.30 1.44 -1.09 -1.26 0.14 121.20 125.86 1bnr s ILE 51 Ca 0.30 0.16 -0.19 0.00 -2.23 0.00 0.00 60.65 58.69 1bnr s ILE 51 Cb -0.17 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1bnr s ILE 51 CO 0.14 -0.63 0.83 -0.83 -1.23 0.00 0.00 174.94 173.22 1bnr s GLY 52 N 2.05 0.15 0.00 6.18 0.00 -1.24 -0.05 107.32 114.42 1bnr s GLY 52 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1bnr s GLY 52 CO 0.20 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.09 1bnr n GLY 53 N -0.53 1.02 3.10 0.20 0.00 -0.33 -2.56 105.19 106.08 1bnr n GLY 53 Ca -0.06 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 1bnr n GLY 53 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bnr s ASP 54 N -2.58 1.45 0.47 1.61 1.47 -1.22 -4.82 116.67 113.05 1bnr s ASP 54 Ca 0.00 -0.35 -0.20 0.00 1.18 0.00 0.00 52.55 53.18 1bnr s ASP 54 Cb 0.00 -0.12 -0.13 0.00 -0.34 0.00 0.00 42.92 42.34 1bnr s ASP 54 CO 0.00 0.07 0.28 -0.38 0.68 0.00 0.00 175.17 175.82 1bnr n ILE 55 N 2.29 1.22 -3.97 2.11 -0.00 -1.26 -1.46 119.36 118.29 1bnr n ILE 55 Ca -0.16 -0.50 -0.33 0.00 -0.00 0.00 0.00 62.75 61.76 1bnr n ILE 55 Cb 0.55 -0.33 -0.05 0.00 -0.00 0.00 0.00 39.64 39.81 1bnr n ILE 55 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.55 176.67 1bnr s PHE 56 N -1.70 3.44 0.00 1.39 5.36 -0.25 -4.52 117.98 121.71 1bnr s PHE 56 Ca 0.62 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 1bnr s PHE 56 Cb -0.55 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1bnr s PHE 56 CO 0.60 0.60 0.00 0.43 -1.46 0.00 0.00 175.22 175.39 1bnr n SER 57 N 0.84 0.00 -0.16 6.13 7.64 -1.26 -4.59 113.62 122.22 1bnr n SER 57 Ca -0.10 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.76 1bnr n SER 57 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 -3.28 0.00 6.43 2.85 -1.26 -4.92 115.26 115.08 1bnr n ASN 58 Ca 0.00 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1bnr n ASN 58 Cb 0.00 -0.96 0.00 0.00 1.24 0.00 0.00 39.78 40.06 1bnr n ASN 58 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1bnr n ARG 59 N -2.91 0.00 0.06 1.20 1.74 -1.26 -2.69 116.66 112.80 1bnr n ARG 59 Ca -0.02 0.39 0.16 0.00 -0.77 0.00 0.00 57.85 57.60 1bnr n ARG 59 Cb 0.07 -1.39 0.65 0.00 -1.02 0.00 0.00 32.46 30.78 1bnr n ARG 59 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1bnr h GLU 60 N 0.00 0.05 -0.39 5.56 4.81 -2.03 -3.46 114.58 119.13 1bnr h GLU 60 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bnr h GLU 60 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1bnr h GLU 60 CO 0.00 0.03 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 1bnr n GLY 61 N -1.60 0.83 0.34 1.92 0.00 -1.10 -5.00 105.19 100.59 1bnr n GLY 61 Ca 0.06 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.17 1.09 -4.29 1.61 5.02 -1.26 -4.88 118.16 115.28 1bnr n LYS 62 Ca 0.00 -0.69 -0.28 0.00 -2.02 0.00 0.00 58.31 55.32 1bnr n LYS 62 Cb 0.06 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.39 2.87 0.81 -0.35 1.43 -1.26 -4.85 118.68 114.94 1bnr s LEU 63 Ca 0.26 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1bnr s LEU 63 Cb 0.19 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.88 1bnr s LEU 63 CO 0.49 0.14 1.19 -2.16 0.23 0.00 0.00 176.35 176.23 1bnr s PRO 64 N -2.49 1.65 0.00 1.29 0.05 -1.26 -4.93 135.00 129.31 1bnr s PRO 64 Ca 0.22 1.68 0.00 0.00 0.05 0.00 0.00 61.00 62.95 1bnr s PRO 64 Cb -0.10 -1.79 0.00 0.00 0.05 0.00 0.00 34.50 32.67 1bnr s PRO 64 CO 0.13 -2.19 0.00 0.41 0.05 0.00 0.00 177.00 175.40 1bnr n GLY 65 N 0.31 0.95 3.89 0.56 0.00 -1.26 -5.05 105.19 104.58 1bnr n GLY 65 Ca 0.13 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.16 2.31 -0.34 1.61 -0.14 -1.26 -4.99 119.74 115.76 1bnr s LYS 66 Ca 0.00 -1.89 -0.28 0.00 -1.36 0.00 0.00 55.97 52.44 1bnr s LYS 66 Cb 0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 1bnr s LYS 66 CO 0.00 -0.49 1.98 -1.12 -0.76 0.00 0.00 175.35 174.96 1bnr s SER 67 N -4.23 5.58 0.00 2.83 0.01 -1.26 -1.86 113.70 114.78 1bnr s SER 67 Ca 0.39 1.37 0.00 0.00 1.31 0.00 0.00 55.95 59.01 1bnr s SER 67 Cb -0.02 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1bnr s SER 67 CO 0.23 -1.95 0.00 0.61 0.41 0.00 0.00 173.24 172.55 1bnr n GLY 68 N 5.60 1.49 3.74 3.44 0.00 -1.26 -5.10 105.19 113.09 1bnr n GLY 68 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 4.44 0.26 1.61 3.52 -0.78 -5.06 118.95 122.81 1bnr s ARG 69 Ca 0.00 0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 56.50 1bnr s ARG 69 Cb 0.00 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 1bnr s ARG 69 CO 0.00 0.23 0.51 0.99 -0.81 0.00 0.00 175.30 176.22 1bnr s THR 70 N 0.18 5.07 0.25 4.11 2.01 -1.26 -4.97 115.64 121.02 1bnr s THR 70 Ca 0.37 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1bnr s THR 70 Cb -0.19 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1bnr s THR 70 CO 0.20 -0.24 0.13 0.26 -0.69 0.00 0.00 174.62 174.28 1bnr s TRP 71 N -1.99 1.42 0.01 4.92 0.52 -1.26 -4.34 118.94 118.23 1bnr s TRP 71 Ca 0.43 -1.33 0.03 0.00 0.02 0.00 0.00 56.10 55.25 1bnr s TRP 71 Cb -0.11 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 1bnr s TRP 71 CO 0.29 -0.52 -0.10 1.03 0.02 0.00 0.00 176.95 177.67 1bnr s ARG 72 N -4.00 0.72 0.12 4.98 1.81 0.46 -1.09 118.95 121.94 1bnr s ARG 72 Ca 0.38 -0.50 0.10 0.00 -1.72 0.00 0.00 55.73 54.00 1bnr s ARG 72 Cb 0.07 -0.67 -0.04 0.00 -0.45 0.00 0.00 34.95 33.86 1bnr s ARG 72 CO 0.15 0.17 -0.26 -1.83 -0.68 0.00 0.00 175.30 172.85 1bnr s GLU 73 N -0.68 1.38 0.01 3.54 -1.05 -0.54 -0.02 118.70 121.35 1bnr s GLU 73 Ca 0.01 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1bnr s GLU 73 Cb -0.06 -1.81 -0.01 0.00 -0.44 0.00 0.00 34.13 31.81 1bnr s GLU 73 CO 0.00 0.43 -0.02 0.00 0.95 0.00 0.00 175.26 176.62 1bnr s ALA 74 N -1.05 0.13 0.37 -0.84 0.00 -0.07 -1.19 121.76 119.11 1bnr s ALA 74 Ca 0.12 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 1bnr s ALA 74 Cb -0.10 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 1bnr s ALA 74 CO 0.05 -0.09 1.34 -0.51 0.00 0.00 0.00 175.76 176.55 1bnr s ASP 75 N -0.93 6.49 -0.10 0.00 1.01 0.93 -1.34 116.67 122.73 1bnr s ASP 75 Ca -0.10 2.74 0.00 0.00 0.71 0.00 0.00 52.55 55.91 1bnr s ASP 75 Cb -0.06 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.24 1bnr s ASP 75 CO -0.01 -0.74 -0.09 -0.63 0.21 0.00 0.00 175.17 173.92 1bnr s ILE 76 N -1.19 1.04 -0.17 0.77 -1.09 -0.29 -4.77 121.20 115.50 1bnr s ILE 76 Ca 0.53 -0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.61 1bnr s ILE 76 Cb -0.40 -1.03 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 1bnr s ILE 76 CO 0.53 0.36 0.14 0.59 -1.23 0.00 0.00 174.94 175.33 1bnr n ASN 77 N 4.64 -2.38 -4.77 3.58 5.03 -0.03 -4.29 115.26 117.03 1bnr n ASN 77 Ca -0.15 -0.07 -0.35 0.00 0.87 0.00 0.00 54.58 54.87 1bnr n ASN 77 Cb 0.50 -1.08 -0.00 0.00 -1.02 0.00 0.00 39.78 38.19 1bnr n ASN 77 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1bnr s TYR 78 N -3.04 2.73 0.00 3.10 6.14 -1.26 -4.93 117.35 120.09 1bnr s TYR 78 Ca 0.05 1.54 0.00 0.00 0.64 0.00 0.00 57.07 59.31 1bnr s TYR 78 Cb -0.02 -3.29 0.00 0.00 0.42 0.00 0.00 41.96 39.06 1bnr s TYR 78 CO 0.09 -1.51 0.00 0.25 0.64 0.00 0.00 175.55 175.02 1bnr n THR 79 N -1.11 0.00 -3.73 4.34 -2.24 -1.26 -5.09 114.28 105.20 1bnr n THR 79 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1bnr n THR 79 Cb 0.50 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.63 -0.21 0.03 3.42 0.01 -1.26 -4.81 113.70 111.51 1bnr s SER 80 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1bnr s SER 80 Cb 0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1bnr s SER 80 CO 0.00 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.35 1bnr n GLY 81 N -0.44 -2.22 3.10 3.44 0.00 -1.26 -4.87 105.19 102.93 1bnr n GLY 81 Ca -0.06 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.21 -2.62 -0.57 1.61 3.01 -1.26 -4.83 117.46 111.59 1bnr n PHE 82 Ca 0.00 0.30 -0.24 0.00 1.01 0.00 0.00 57.45 58.52 1bnr n PHE 82 Cb 0.06 -1.48 0.16 0.00 -0.01 0.00 0.00 39.48 38.21 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 1.20 -2.12 -1.35 -1.08 1.74 -1.26 -5.00 116.66 108.79 1bnr n ARG 83 Ca -0.00 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 1bnr n ARG 83 Cb 0.64 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.45 0.94 -0.44 0.55 0.23 -1.26 -5.04 115.26 108.79 1bnr n ASN 84 Ca 0.04 -0.92 0.04 0.00 -0.53 0.00 0.00 54.58 53.21 1bnr n ASN 84 Cb 0.47 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.27 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1bnr n SER 85 N -1.89 2.57 -4.54 0.53 7.64 -1.26 -4.92 113.62 111.75 1bnr n SER 85 Ca 0.00 -1.94 -0.34 0.00 1.01 0.00 0.00 58.87 57.59 1bnr n SER 85 Cb 0.00 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.97 5.08 0.30 6.43 1.01 -1.26 -0.38 116.67 126.88 1bnr s ASP 86 Ca 0.16 -0.07 -0.08 0.00 0.71 0.00 0.00 52.55 53.27 1bnr s ASP 86 Cb 0.08 -1.85 0.00 0.00 1.01 0.00 0.00 42.92 42.17 1bnr s ASP 86 CO 0.11 0.16 0.48 -0.60 0.21 0.00 0.00 175.17 175.53 1bnr s ARG 87 N 0.45 1.75 -0.03 8.23 3.52 -0.59 -1.14 118.95 131.14 1bnr s ARG 87 Ca -0.01 -1.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 1bnr s ARG 87 Cb -0.14 0.46 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1bnr s ARG 87 CO 0.02 -0.73 0.00 -1.50 -0.81 0.00 0.00 175.30 172.28 1bnr s ILE 88 N -3.44 0.18 -0.47 4.11 2.07 -0.45 -1.16 121.20 122.05 1bnr s ILE 88 Ca 0.27 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.48 1bnr s ILE 88 Cb -0.00 -0.29 0.10 0.00 0.13 0.00 0.00 42.46 42.39 1bnr s ILE 88 CO 0.15 0.16 0.37 -0.76 -1.91 0.00 0.00 174.94 172.94 1bnr s LEU 89 N 1.13 5.62 -0.11 8.50 2.01 0.19 -0.89 118.68 135.14 1bnr s LEU 89 Ca -0.08 -1.59 -0.08 0.00 0.01 0.00 0.00 54.13 52.39 1bnr s LEU 89 Cb -0.13 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 43.93 1bnr s LEU 89 CO -0.02 -0.67 0.16 -0.72 1.01 0.00 0.00 176.35 176.12 1bnr s TYR 90 N 1.51 3.61 0.47 0.29 1.13 0.97 -1.33 117.35 124.00 1bnr s TYR 90 Ca 0.04 0.57 0.08 0.00 -1.41 0.00 0.00 57.07 56.35 1bnr s TYR 90 Cb -0.25 -1.97 0.02 0.00 -1.10 0.00 0.00 41.96 38.65 1bnr s TYR 90 CO 0.03 0.73 0.54 0.45 -2.51 0.00 0.00 175.55 174.79 1bnr s SER 91 N -1.03 5.19 0.59 -0.18 0.15 -0.11 -0.40 113.70 117.92 1bnr s SER 91 Ca 0.16 -0.74 0.38 0.00 0.70 0.00 0.00 55.95 56.45 1bnr s SER 91 Cb -0.12 -0.26 1.80 0.00 -1.71 0.00 0.00 66.02 65.73 1bnr s SER 91 CO 0.05 -0.91 2.14 0.77 1.20 0.00 0.00 173.24 176.49 1bnr h SER 92 N 0.67 0.00 -0.30 5.45 4.64 -1.92 -0.18 113.55 121.91 1bnr h SER 92 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 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 0.50 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.56 1bnr n ASP 93 N -3.07 2.89 -1.53 4.97 5.75 -1.26 -4.84 116.55 119.45 1bnr n ASP 93 Ca -0.01 -2.32 -0.14 0.00 -0.01 0.00 0.00 54.79 52.32 1bnr n ASP 93 Cb 0.21 -0.49 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 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 0.37 -0.60 -2.75 2.11 5.03 -0.08 -4.94 117.44 116.58 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 0.59 -2.93 -0.03 0.00 -1.03 0.00 0.00 31.31 27.91 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 -3.90 4.00 -0.32 -0.99 1.43 -1.24 -4.78 118.68 112.89 1bnr s LEU 95 Ca 0.00 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.03 1bnr s LEU 95 Cb 0.00 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1bnr s LEU 95 CO 0.00 -1.55 0.49 -0.63 0.23 0.00 0.00 176.35 174.88 1bnr s ILE 96 N 4.55 5.06 0.21 -0.59 1.01 -0.87 -0.93 121.20 129.64 1bnr s ILE 96 Ca 0.27 0.49 0.10 0.00 0.00 0.00 0.00 60.65 61.52 1bnr s ILE 96 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1bnr s ILE 96 CO 0.10 -0.08 -0.15 -0.31 0.00 0.00 0.00 174.94 174.50 1bnr s TYR 97 N 2.31 2.49 0.18 3.97 1.51 -0.44 -1.57 117.35 125.79 1bnr s TYR 97 Ca 0.18 -0.28 0.11 0.00 -1.01 0.00 0.00 57.07 56.07 1bnr s TYR 97 Cb -0.16 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1bnr s TYR 97 CO 0.12 0.54 -0.23 -1.59 -1.11 0.00 0.00 175.55 173.29 1bnr s LYS 98 N -2.94 1.43 -0.04 -0.62 -2.85 -0.21 -0.64 119.74 113.88 1bnr s LYS 98 Ca 0.25 -1.47 -0.01 0.00 -1.00 0.00 0.00 55.97 53.73 1bnr s LYS 98 Cb -0.08 -1.70 0.03 0.00 -2.06 0.00 0.00 37.83 34.03 1bnr s LYS 98 CO 0.14 0.37 0.07 -0.08 0.10 0.00 0.00 175.35 175.94 1bnr s THR 99 N -1.72 -0.10 -0.31 3.79 -1.32 -0.31 -1.20 115.64 114.47 1bnr s THR 99 Ca 0.19 0.31 0.08 0.00 -1.21 0.00 0.00 61.69 61.06 1bnr s THR 99 Cb -0.08 -0.15 0.54 0.00 -1.51 0.00 0.00 72.50 71.31 1bnr s THR 99 CO 0.09 0.13 1.54 0.35 -2.21 0.00 0.00 174.62 174.52 1bnr n THR 100 N 4.75 2.66 -2.04 5.08 -2.24 -1.26 -1.54 114.28 119.69 1bnr n THR 100 Ca -0.16 -2.58 -0.00 0.00 -2.27 0.00 0.00 64.05 59.04 1bnr n THR 100 Cb 0.50 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.09 -0.00 -1.76 3.42 5.68 -1.05 -4.80 116.55 116.95 1bnr n ASP 101 Ca 0.37 -1.56 -0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1bnr n ASP 101 Cb 1.14 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.04 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 0.04 -0.53 -1.41 2.11 -0.00 0.49 -3.59 115.22 112.34 1bnr n HIS 102 Ca -0.02 0.20 -0.11 0.00 -0.00 0.00 0.00 57.72 57.80 1bnr n HIS 102 Cb 0.64 -1.94 -0.04 0.00 -0.00 0.00 0.00 29.99 28.65 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 -0.97 -0.56 0.14 1.57 4.01 -1.26 -4.72 117.16 115.36 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 0.40 -2.31 0.05 0.00 -0.31 0.00 0.00 39.34 37.17 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 -3.71 -0.72 4.20 -1.94 -3.47 115.11 109.47 1bnr h GLN 104 Ca -0.22 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 1bnr h GLN 104 Cb 0.75 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.37 1bnr h GLN 104 CO 0.32 0.00 -0.40 0.95 -0.67 0.00 0.00 178.83 179.04 1bnr s THR 105 N -3.32 0.13 -0.06 -0.54 -4.23 -1.26 -5.00 115.64 101.36 1bnr s THR 105 Ca 0.02 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1bnr s THR 105 Cb 0.08 -1.14 0.04 0.00 1.34 0.00 0.00 72.50 72.82 1bnr s THR 105 CO 0.75 -0.59 0.11 -0.36 -0.54 0.00 0.00 174.62 173.99 1bnr s PHE 106 N -3.24 -0.08 -0.08 3.99 0.08 -1.24 -3.99 117.98 113.41 1bnr s PHE 106 Ca 0.00 0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.48 1bnr s PHE 106 Cb 0.02 -0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.21 1bnr s PHE 106 CO -0.08 -0.18 -0.19 0.99 -0.10 0.00 0.00 175.22 175.66 1bnr s THR 107 N 1.68 2.57 -0.04 0.64 2.01 -0.34 -4.83 115.64 117.32 1bnr s THR 107 Ca -0.03 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1bnr s THR 107 Cb -0.12 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1bnr s THR 107 CO -0.05 0.56 1.00 -0.75 -0.69 0.00 0.00 174.62 174.69 1bnr s LYS 108 N -0.06 4.50 -0.06 4.92 2.20 -1.26 -1.04 119.74 128.95 1bnr s LYS 108 Ca -0.05 1.43 0.08 0.00 -0.36 0.00 0.00 55.97 57.07 1bnr s LYS 108 Cb -0.14 -3.49 0.12 0.00 -1.51 0.00 0.00 37.83 32.81 1bnr s LYS 108 CO 0.04 -0.16 1.01 0.44 -0.36 0.00 0.00 175.35 176.32 1bnr n ILE 109 N 4.14 0.99 0.00 5.43 -5.35 -0.61 -4.98 119.36 118.98 1bnr n ILE 109 Ca 0.07 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.40 1bnr n ILE 109 Cb 0.50 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33