#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 0.37 0.12 0.00 2.00 -1.26 -5.15 119.66 115.74 1bnr s GLN 2 Ca 0.00 0.22 0.02 0.00 -2.00 0.00 0.00 55.36 53.60 1bnr s GLN 2 Cb 0.00 -0.44 -0.01 0.00 0.80 0.00 0.00 33.01 33.36 1bnr s GLN 2 CO 0.00 -0.89 0.08 1.33 -0.50 0.00 0.00 175.29 175.30 1bnr n VAL 3 N 5.35 0.00 -3.89 1.34 0.24 -1.26 -5.13 118.33 114.98 1bnr n VAL 3 Ca -0.01 -0.81 -0.35 0.00 -2.04 0.00 0.00 64.34 61.12 1bnr n VAL 3 Cb 0.49 0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 33.09 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 -2.32 3.37 -0.40 1.34 1.01 -1.26 -5.00 121.20 117.95 1bnr s ILE 4 Ca 0.11 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.18 1bnr s ILE 4 Cb 0.01 -2.63 0.32 0.00 0.01 0.00 0.00 42.46 40.17 1bnr s ILE 4 CO 0.08 0.28 0.77 -0.46 0.00 0.00 0.00 174.94 175.61 1bnr n ASN 5 N 4.78 -0.04 -2.04 3.58 6.94 -1.26 -4.75 115.26 122.46 1bnr n ASN 5 Ca -0.17 -3.09 -0.09 0.00 -0.02 0.00 0.00 54.58 51.21 1bnr n ASN 5 Cb 0.49 -0.06 -0.04 0.00 -2.36 0.00 0.00 39.78 37.82 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 0.58 0.00 0.03 5.53 -2.24 -1.26 -0.39 114.28 116.53 1bnr n THR 6 Ca 0.20 -1.14 -0.03 0.00 -2.27 0.00 0.00 64.05 60.82 1bnr n THR 6 Cb 0.64 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.50 -0.16 -0.11 4.78 0.04 -1.96 -1.91 116.94 119.12 1bnr h PHE 7 Ca -0.11 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.52 1bnr h PHE 7 Cb 0.56 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1bnr h PHE 7 CO 0.00 -0.10 -0.52 -0.44 -0.60 0.00 0.00 178.31 176.65 1bnr h ASP 8 N -0.96 0.35 -0.06 2.17 5.19 -1.98 -0.88 116.42 120.25 1bnr h ASP 8 Ca -0.02 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1bnr h ASP 8 Cb 0.13 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1bnr h ASP 8 CO 0.03 0.80 -0.00 1.23 -3.12 0.00 0.00 179.24 178.18 1bnr h GLY 9 N 1.30 0.12 1.44 2.75 0.00 -1.97 -1.01 103.07 105.70 1bnr h GLY 9 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1bnr h GLY 9 CO 0.08 0.08 -0.30 -2.08 0.00 0.00 0.00 176.54 174.33 1bnr h VAL 10 N -0.18 1.28 -0.83 4.60 2.07 -1.32 -1.58 116.25 120.28 1bnr h VAL 10 Ca 0.02 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1bnr h VAL 10 Cb 0.34 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1bnr h VAL 10 CO 0.00 0.46 0.48 0.00 0.02 0.00 0.00 177.57 178.53 1bnr h ALA 11 N 1.12 1.28 0.32 1.67 0.00 -1.03 0.49 119.26 123.11 1bnr h ALA 11 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1bnr h ALA 11 Cb 0.78 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bnr h ALA 11 CO 0.06 0.60 -0.16 -0.44 0.00 0.00 0.00 179.25 179.32 1bnr h ASP 12 N 1.15 -0.37 -0.31 0.00 3.32 -0.77 -1.58 116.42 117.87 1bnr h ASP 12 Ca 0.30 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 57.27 1bnr h ASP 12 Cb -0.02 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1bnr h ASP 12 CO -0.05 -0.01 0.30 0.22 -1.72 0.00 0.00 179.24 177.98 1bnr h TYR 13 N -0.77 0.00 0.35 4.55 3.20 -1.04 0.43 116.97 123.68 1bnr h TYR 13 Ca -0.04 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1bnr h TYR 13 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1bnr h TYR 13 CO 0.02 0.00 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.31 1bnr h LEU 14 N 0.00 -0.39 0.00 2.82 3.38 -0.52 -0.91 115.31 119.69 1bnr h LEU 14 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bnr h LEU 14 Cb 0.74 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1bnr h LEU 14 CO -0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1bnr n GLN 15 N -4.95 0.25 -0.01 1.13 6.02 -0.63 0.67 117.38 119.87 1bnr n GLN 15 Ca -0.06 0.12 -0.01 0.00 -0.01 0.00 0.00 57.00 57.05 1bnr n GLN 15 Cb 0.18 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.26 0.25 1.25 5.09 -1.04 0.15 -4.48 114.28 114.23 1bnr n THR 16 Ca 0.08 0.45 0.11 0.00 -2.04 0.00 0.00 64.05 62.65 1bnr n THR 16 Cb 0.12 -1.65 0.39 0.00 -1.82 0.00 0.00 70.33 67.37 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 -2.71 0.19 -4.12 -1.42 4.01 -0.35 -4.92 117.16 107.84 1bnr n TYR 17 Ca -0.02 -0.10 -0.30 0.00 -0.16 0.00 0.00 57.90 57.33 1bnr n TYR 17 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 1bnr n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bnr n HIS 18 N 0.30 -1.46 0.00 -0.72 8.25 0.21 -4.89 115.22 116.91 1bnr n HIS 18 Ca 0.16 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 1bnr n HIS 18 Cb 0.33 -3.21 0.00 0.00 1.12 0.00 0.00 29.99 28.23 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 -4.54 0.00 -0.91 -0.41 2.85 -1.24 -5.04 118.16 108.87 1bnr n LYS 19 Ca -0.29 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.63 1bnr n LYS 19 Cb 0.68 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 35.14 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 -2.32 -4.51 -5.58 4.77 -1.26 -4.67 117.00 103.43 1bnr n LEU 20 Ca 0.00 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 55.95 1bnr n LEU 20 Cb 0.00 -1.04 0.12 0.00 -2.33 0.00 0.00 43.42 40.17 1bnr n LEU 20 CO 0.00 -4.50 0.20 -2.65 -1.33 0.00 0.00 177.39 169.11 1bnr n PRO 21 N -0.06 -0.16 0.00 3.23 -0.02 -1.26 -4.83 135.00 131.90 1bnr n PRO 21 Ca 0.04 0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.60 1bnr n PRO 21 Cb 0.54 -2.03 0.38 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.98 0.00 -1.50 2.55 2.03 -1.26 -2.15 116.55 114.25 1bnr n ASP 22 Ca 0.09 0.13 -0.09 0.00 0.52 0.00 0.00 54.79 55.44 1bnr n ASP 22 Cb 0.52 -0.32 0.21 0.00 -0.72 0.00 0.00 41.12 40.81 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1bnr n ASN 23 N -1.32 3.11 -4.00 1.67 6.94 -1.26 -4.79 115.26 115.61 1bnr n ASN 23 Ca 0.07 -3.63 -0.33 0.00 -0.02 0.00 0.00 54.58 50.66 1bnr n ASN 23 Cb 0.13 -0.69 -0.08 0.00 -2.36 0.00 0.00 39.78 36.78 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 -1.01 3.86 -3.41 -2.53 4.02 -0.91 0.24 117.16 117.41 1bnr n TYR 24 Ca 0.40 -4.14 -0.38 0.00 -0.01 0.00 0.00 57.90 53.78 1bnr n TYR 24 Cb 1.23 -0.96 -0.07 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.54 5.23 0.91 -0.72 -4.36 0.14 -4.04 121.20 116.82 1bnr s ILE 25 Ca 0.28 0.72 -0.13 0.00 -0.26 0.00 0.00 60.65 61.26 1bnr s ILE 25 Cb -0.04 -3.72 0.08 0.00 1.25 0.00 0.00 42.46 40.02 1bnr s ILE 25 CO -0.12 0.31 -0.04 0.35 0.24 0.00 0.00 174.94 175.68 1bnr n THR 26 N 3.94 0.00 -0.03 8.37 -2.24 -1.13 -3.49 114.28 119.70 1bnr n THR 26 Ca -0.09 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1bnr n THR 26 Cb 0.51 -0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.25 0.13 -0.95 -0.78 6.56 -1.91 -2.81 116.57 114.56 1bnr h LYS 27 Ca -0.24 -0.07 0.20 0.00 -1.06 0.00 0.00 60.65 59.48 1bnr h LYS 27 Cb 0.76 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.34 1bnr h LYS 27 CO 0.15 0.60 0.61 1.03 -2.06 0.00 0.00 179.45 179.79 1bnr h SER 28 N -0.34 0.52 -0.65 0.86 0.87 -1.99 0.44 113.55 113.25 1bnr h SER 28 Ca 0.01 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1bnr h SER 28 Cb 0.58 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1bnr h SER 28 CO 0.01 0.19 0.41 -0.33 -0.53 0.00 0.00 176.83 176.58 1bnr h GLU 29 N 0.51 0.88 -0.24 2.24 4.39 -1.80 -0.10 114.58 120.46 1bnr h GLU 29 Ca 0.51 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 1bnr h GLU 29 Cb 1.13 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1bnr h GLU 29 CO -0.24 0.61 -0.13 0.00 -1.16 0.00 0.00 179.01 178.09 1bnr h ALA 30 N 1.21 1.33 -0.10 3.43 0.00 0.04 -1.25 119.26 123.92 1bnr h ALA 30 Ca 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1bnr h ALA 30 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bnr h ALA 30 CO -0.05 0.45 -0.26 1.96 0.00 0.00 0.00 179.25 181.36 1bnr h GLN 31 N 0.37 0.18 -0.75 0.00 4.20 0.18 -2.20 115.11 117.10 1bnr h GLN 31 Ca 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1bnr h GLN 31 Cb 0.46 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1bnr h GLN 31 CO 0.03 0.43 0.39 0.00 -0.67 0.00 0.00 178.83 179.01 1bnr h ALA 32 N 1.57 1.27 -0.00 3.87 0.00 0.17 -0.57 119.26 125.57 1bnr h ALA 32 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bnr h ALA 32 Cb 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bnr h ALA 32 CO 0.04 0.58 -0.03 1.28 0.00 0.00 0.00 179.25 181.12 1bnr n LEU 33 N -4.34 0.06 0.00 0.00 4.32 -0.87 -4.90 117.00 111.28 1bnr n LEU 33 Ca 0.07 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1bnr n LEU 33 Cb 0.11 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1bnr n LEU 33 CO 0.38 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1bnr n GLY 34 N 1.36 0.78 3.10 -0.72 0.00 -0.22 -4.94 105.19 104.56 1bnr n GLY 34 Ca 0.12 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.58 1.68 -0.05 1.61 -0.00 -0.94 -4.66 118.94 115.00 1bnr s TRP 35 Ca 0.00 -0.54 -0.20 0.00 -0.00 0.00 0.00 56.10 55.36 1bnr s TRP 35 Cb 0.00 -1.16 -0.05 0.00 -0.00 0.00 0.00 33.47 32.27 1bnr s TRP 35 CO 0.00 -0.22 0.57 0.08 -0.00 0.00 0.00 176.95 177.38 1bnr s VAL 36 N 0.24 5.04 -1.31 5.86 1.01 -1.26 -4.45 120.40 125.52 1bnr s VAL 36 Ca -0.08 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.13 1bnr s VAL 36 Cb -0.13 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.43 1bnr s VAL 36 CO 0.03 0.36 1.07 0.00 0.00 0.00 0.00 175.10 176.56 1bnr n ALA 37 N 3.21 1.41 -0.00 5.51 0.00 -1.26 -2.87 120.51 126.51 1bnr n ALA 37 Ca -0.06 -0.03 0.21 0.00 0.00 0.00 0.00 53.44 53.56 1bnr n ALA 37 Cb 0.51 -1.09 0.49 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.46 0.00 0.87 -2.01 -3.43 113.55 107.51 1bnr h SER 38 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 1bnr h SER 38 Cb 0.07 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1bnr h SER 38 CO 0.00 0.00 -0.28 0.29 -0.53 0.00 0.00 176.83 176.31 1bnr n LYS 39 N -3.22 -0.91 -0.01 2.24 5.02 -1.14 -4.87 118.16 115.28 1bnr n LYS 39 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 1bnr n LYS 39 Cb 1.12 -4.74 0.00 0.00 -0.02 0.00 0.00 35.03 31.39 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 -1.11 1.01 0.87 0.72 0.00 -1.26 -3.03 105.19 102.38 1bnr n GLY 40 Ca -0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.35 -0.66 0.21 1.61 6.94 -1.26 -4.84 115.26 116.91 1bnr n ASN 41 Ca 0.01 -1.72 -0.09 0.00 -0.02 0.00 0.00 54.58 52.75 1bnr n ASN 41 Cb 0.35 0.20 -0.05 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.03 -0.59 -0.32 -4.53 5.85 -1.85 -1.24 115.31 112.66 1bnr h LEU 42 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1bnr h LEU 42 Cb 1.31 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1bnr h LEU 42 CO -0.20 -0.36 0.04 0.00 -0.34 0.00 0.00 178.44 177.58 1bnr n ALA 43 N -2.40 0.94 0.12 1.25 0.00 -1.26 -0.98 120.51 118.18 1bnr n ALA 43 Ca -0.07 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1bnr n ALA 43 Cb 0.24 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 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 0.79 0.26 0.00 3.58 -1.61 -1.31 116.42 118.12 1bnr h ASP 44 Ca 0.00 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.66 1bnr h ASP 44 Cb 0.07 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1bnr h ASP 44 CO 0.00 1.61 -1.27 1.33 -2.88 0.00 0.00 179.24 178.03 1bnr n VAL 45 N -3.72 0.11 -2.95 2.25 0.24 -0.56 -4.58 118.33 109.11 1bnr n VAL 45 Ca -0.14 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 1bnr n VAL 45 Cb 1.04 0.29 0.02 0.00 -1.47 0.00 0.00 33.84 33.72 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 -1.89 0.46 -0.57 2.33 0.00 -0.16 -4.84 120.51 115.85 1bnr n ALA 46 Ca 0.01 -2.35 -0.30 0.00 0.00 0.00 0.00 53.44 50.80 1bnr n ALA 46 Cb 0.45 -1.07 0.21 0.00 0.00 0.00 0.00 19.45 19.05 1bnr n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bnr n PRO 47 N 0.80 -1.54 -3.69 0.00 -0.02 -0.49 -3.71 135.00 126.35 1bnr n PRO 47 Ca 0.15 -0.40 -0.25 0.00 -2.02 0.00 0.00 63.50 60.97 1bnr n PRO 47 Cb 0.64 -2.24 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1bnr n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnr n GLY 48 N 0.73 -0.63 3.39 -1.23 0.00 -1.26 -4.98 105.19 101.20 1bnr n GLY 48 Ca 0.07 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.91 1.18 0.06 1.61 1.02 -1.24 -5.00 119.74 111.46 1bnr s LYS 49 Ca 0.23 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 1bnr s LYS 49 Cb -0.07 0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1bnr s LYS 49 CO 0.84 -0.47 -0.04 -1.12 -0.92 0.00 0.00 175.35 173.64 1bnr s SER 50 N -2.87 0.63 -0.35 2.83 0.01 0.14 -4.99 113.70 109.10 1bnr s SER 50 Ca 0.09 -0.99 -0.10 0.00 1.31 0.00 0.00 55.95 56.26 1bnr s SER 50 Cb 0.01 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.44 1bnr s SER 50 CO -0.06 -0.56 0.18 -0.63 0.41 0.00 0.00 173.24 172.58 1bnr s ILE 51 N -3.79 4.49 0.21 1.44 -1.09 -1.25 0.27 121.20 121.47 1bnr s ILE 51 Ca 0.08 -0.75 -0.19 0.00 -2.23 0.00 0.00 60.65 57.55 1bnr s ILE 51 Cb 0.07 -3.44 0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1bnr s ILE 51 CO -0.09 -0.13 0.59 -0.83 -1.23 0.00 0.00 174.94 173.25 1bnr s GLY 52 N 1.56 -0.20 0.00 6.18 0.00 -1.23 0.47 107.32 114.10 1bnr s GLY 52 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1bnr s GLY 52 CO 0.06 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.64 1bnr n GLY 53 N -0.38 0.93 3.89 0.20 0.00 -0.49 -2.83 105.19 106.51 1bnr n GLY 53 Ca -0.10 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.37 6.49 0.43 1.61 1.01 -1.17 -4.89 116.67 117.79 1bnr s ASP 54 Ca 0.00 0.56 -0.25 0.00 0.71 0.00 0.00 52.55 53.57 1bnr s ASP 54 Cb 0.00 -2.09 -0.08 0.00 1.01 0.00 0.00 42.92 41.76 1bnr s ASP 54 CO 0.00 0.22 1.29 -0.63 0.21 0.00 0.00 175.17 176.27 1bnr s ILE 55 N -1.35 2.61 -0.63 0.77 -1.09 -1.26 -1.54 121.20 118.71 1bnr s ILE 55 Ca 0.29 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.26 1bnr s ILE 55 Cb -0.13 -3.29 0.15 0.00 -1.58 0.00 0.00 42.46 37.61 1bnr s ILE 55 CO 0.18 0.05 0.41 0.12 -1.23 0.00 0.00 174.94 174.47 1bnr s PHE 56 N -1.31 3.40 -1.59 3.97 5.36 -0.49 -4.73 117.98 122.58 1bnr s PHE 56 Ca 0.60 -3.14 0.16 0.00 -0.96 0.00 0.00 56.93 53.59 1bnr s PHE 56 Cb -0.37 -2.89 0.85 0.00 -0.34 0.00 0.00 43.02 40.27 1bnr s PHE 56 CO 0.47 -0.70 1.43 -1.13 -1.46 0.00 0.00 175.22 173.83 1bnr n SER 57 N 2.76 0.00 -1.76 6.13 3.41 -1.26 -3.04 113.62 119.86 1bnr n SER 57 Ca 0.11 -0.10 -0.02 0.00 -0.26 0.00 0.00 58.87 58.60 1bnr n SER 57 Cb 0.34 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.20 -2.78 -0.06 4.04 2.85 -1.26 -4.86 115.26 111.99 1bnr n ASN 58 Ca 0.09 -0.08 0.25 0.00 -0.11 0.00 0.00 54.58 54.73 1bnr n ASN 58 Cb 0.11 -1.36 0.65 0.00 1.24 0.00 0.00 39.78 40.41 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 -0.10 0.00 0.00 1.20 2.43 -1.99 -3.07 114.38 112.86 1bnr h ARG 59 Ca -0.07 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1bnr h ARG 59 Cb 1.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1bnr h ARG 59 CO 0.06 0.00 -0.62 0.39 -1.51 0.00 0.00 179.97 178.30 1bnr n GLU 60 N -3.59 0.24 0.00 0.20 1.02 -1.26 -5.11 120.64 112.13 1bnr n GLU 60 Ca 0.15 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1bnr n GLU 60 Cb 1.00 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 1bnr n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bnr n GLY 61 N 2.55 0.98 0.29 0.62 0.00 -1.16 -5.08 105.19 103.39 1bnr n GLY 61 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -4.44 1.61 5.02 -1.26 -5.10 118.16 113.99 1bnr n LYS 62 Ca 0.00 -0.40 -0.30 0.00 -2.02 0.00 0.00 58.31 55.59 1bnr n LYS 62 Cb 0.00 -0.25 -0.11 0.00 -0.02 0.00 0.00 35.03 34.65 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 0.00 2.84 -0.88 -0.35 1.43 -1.26 -4.86 118.68 115.61 1bnr s LEU 63 Ca 0.00 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1bnr s LEU 63 Cb 0.00 -1.66 -0.13 0.00 0.03 0.00 0.00 46.19 44.42 1bnr s LEU 63 CO 0.00 0.22 2.26 -2.16 0.23 0.00 0.00 176.35 176.90 1bnr s PRO 64 N -1.78 1.73 0.27 1.29 0.04 -1.26 -4.80 135.00 130.49 1bnr s PRO 64 Ca 0.18 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1bnr s PRO 64 Cb -0.11 -4.89 0.04 0.00 0.04 0.00 0.00 34.50 29.59 1bnr s PRO 64 CO 0.09 -4.43 0.56 0.41 0.04 0.00 0.00 177.00 173.67 1bnr n GLY 65 N 6.67 1.27 3.47 0.56 0.00 -1.26 -5.09 105.19 110.81 1bnr n GLY 65 Ca 0.45 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.06 1.93 0.44 1.61 1.02 -1.26 -5.07 119.74 116.34 1bnr s LYS 66 Ca 0.11 -1.81 -0.26 0.00 0.02 0.00 0.00 55.97 54.03 1bnr s LYS 66 Cb -0.03 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.62 1bnr s LYS 66 CO 0.08 -0.79 1.44 0.45 -0.92 0.00 0.00 175.35 175.61 1bnr s SER 67 N -3.26 5.97 0.00 2.83 0.15 -1.26 -1.94 113.70 116.19 1bnr s SER 67 Ca 0.32 2.95 0.00 0.00 0.70 0.00 0.00 55.95 59.92 1bnr s SER 67 Cb -0.00 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1bnr s SER 67 CO 0.22 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1bnr n GLY 68 N 0.55 2.83 3.88 9.45 0.00 -1.26 -5.02 105.19 115.63 1bnr n GLY 68 Ca 0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 0.04 1.61 3.52 -0.82 -5.09 118.95 121.95 1bnr s ARG 69 Ca 0.00 0.40 0.05 0.00 -0.13 0.00 0.00 55.73 56.06 1bnr s ARG 69 Cb 0.00 -2.40 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 1bnr s ARG 69 CO 0.00 -0.05 -0.15 0.99 -0.81 0.00 0.00 175.30 175.29 1bnr s THR 70 N -2.41 1.19 0.50 4.11 2.01 -1.26 -4.80 115.64 114.98 1bnr s THR 70 Ca 0.50 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.52 1bnr s THR 70 Cb -0.10 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.36 1bnr s THR 70 CO 0.33 0.02 0.44 0.26 -0.69 0.00 0.00 174.62 174.98 1bnr s TRP 71 N -0.87 1.99 -0.02 4.92 0.52 -1.17 -4.40 118.94 119.91 1bnr s TRP 71 Ca 0.02 -0.70 0.04 0.00 0.02 0.00 0.00 56.10 55.48 1bnr s TRP 71 Cb -0.08 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1bnr s TRP 71 CO 0.01 -0.43 -0.14 1.03 0.02 0.00 0.00 176.95 177.44 1bnr s ARG 72 N -4.27 1.33 0.24 4.98 1.81 0.90 -1.39 118.95 122.55 1bnr s ARG 72 Ca 0.43 -0.51 0.11 0.00 -1.72 0.00 0.00 55.73 54.03 1bnr s ARG 72 Cb -0.03 -1.23 -0.05 0.00 -0.45 0.00 0.00 34.95 33.20 1bnr s ARG 72 CO 0.26 0.26 -0.13 -1.83 -0.68 0.00 0.00 175.30 173.18 1bnr s GLU 73 N -0.13 1.90 0.00 3.54 -1.05 -0.59 0.21 118.70 122.58 1bnr s GLU 73 Ca 0.01 -1.53 -0.13 0.00 -0.15 0.00 0.00 54.97 53.17 1bnr s GLU 73 Cb -0.08 -1.97 0.02 0.00 -0.44 0.00 0.00 34.13 31.66 1bnr s GLU 73 CO 0.00 0.37 0.27 0.00 0.95 0.00 0.00 175.26 176.86 1bnr s ALA 74 N -2.15 -0.67 0.10 -0.84 0.00 -0.16 -1.40 121.76 116.64 1bnr s ALA 74 Ca 0.28 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 1bnr s ALA 74 Cb -0.07 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 1bnr s ALA 74 CO 0.15 -0.28 1.23 -0.51 0.00 0.00 0.00 175.76 176.35 1bnr s ASP 75 N -1.50 7.04 -0.15 0.00 1.11 0.17 -1.31 116.67 122.03 1bnr s ASP 75 Ca -0.12 2.11 0.00 0.00 0.18 0.00 0.00 52.55 54.73 1bnr s ASP 75 Cb -0.05 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.35 1bnr s ASP 75 CO 0.02 -0.48 -0.14 -0.63 1.18 0.00 0.00 175.17 175.12 1bnr s ILE 76 N 0.81 2.76 0.10 0.77 -1.09 -0.33 -4.77 121.20 119.46 1bnr s ILE 76 Ca 0.58 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 1bnr s ILE 76 Cb -0.31 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 1bnr s ILE 76 CO 0.31 0.51 0.00 0.59 -1.23 0.00 0.00 174.94 175.12 1bnr n ASN 77 N 3.98 -6.20 -3.52 3.58 4.13 0.48 -4.30 115.26 113.40 1bnr n ASN 77 Ca -0.19 0.88 -0.00 0.00 1.68 0.00 0.00 54.58 56.95 1bnr n ASN 77 Cb 0.52 -3.43 -0.05 0.00 -1.54 0.00 0.00 39.78 35.27 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 -0.32 -0.58 0.00 3.10 6.14 -1.26 -4.72 117.35 119.72 1bnr s TYR 78 Ca 0.00 1.07 0.00 0.00 0.64 0.00 0.00 57.07 58.78 1bnr s TYR 78 Cb 0.00 0.34 0.00 0.00 0.42 0.00 0.00 41.96 42.72 1bnr s TYR 78 CO 0.00 -0.29 0.00 0.25 0.64 0.00 0.00 175.55 176.15 1bnr n THR 79 N 4.26 0.00 -3.93 4.34 -2.24 -1.26 -5.04 114.28 110.41 1bnr n THR 79 Ca -0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1bnr n THR 79 Cb 0.55 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1bnr n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bnr s SER 80 N 1.00 0.20 0.00 3.42 1.04 -1.26 -4.89 113.70 113.20 1bnr s SER 80 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1bnr s SER 80 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1bnr s SER 80 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1bnr n GLY 81 N 0.56 -1.38 3.75 7.32 0.00 -1.26 -4.97 105.19 109.21 1bnr n GLY 81 Ca -0.18 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 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 0.00 2.41 1.06 1.61 0.40 -1.26 -4.74 117.98 117.46 1bnr s PHE 82 Ca 0.00 1.51 -0.22 0.00 -0.60 0.00 0.00 56.93 57.62 1bnr s PHE 82 Cb 0.00 -3.49 -0.01 0.00 0.51 0.00 0.00 43.02 40.03 1bnr s PHE 82 CO 0.00 -2.20 -0.60 0.54 0.70 0.00 0.00 175.22 173.66 1bnr n ARG 83 N -1.50 -1.01 -4.07 0.44 1.74 -1.17 -5.00 116.66 106.09 1bnr n ARG 83 Ca 0.13 -0.29 -0.28 0.00 -0.77 0.00 0.00 57.85 56.64 1bnr n ARG 83 Cb 0.49 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1bnr n ARG 83 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bnr s ASN 84 N -1.50 4.52 -0.03 0.55 2.20 -1.26 -5.03 114.94 114.39 1bnr s ASN 84 Ca 0.46 -1.38 0.14 0.00 -0.94 0.00 0.00 52.86 51.14 1bnr s ASN 84 Cb -0.02 0.59 0.42 0.00 -2.00 0.00 0.00 41.25 40.24 1bnr s ASN 84 CO 0.63 -1.13 1.35 -1.20 -2.94 0.00 0.00 177.10 173.81 1bnr n SER 85 N -1.72 3.37 -4.72 3.54 7.64 -1.26 -4.95 113.62 115.52 1bnr n SER 85 Ca -0.06 -2.16 -0.36 0.00 1.01 0.00 0.00 58.87 57.30 1bnr n SER 85 Cb 0.65 -0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.10 6.42 0.07 6.43 1.01 -1.26 0.17 116.67 128.40 1bnr s ASP 86 Ca 0.32 0.49 -0.21 0.00 0.71 0.00 0.00 52.55 53.86 1bnr s ASP 86 Cb 0.19 -2.18 0.05 0.00 1.01 0.00 0.00 42.92 41.98 1bnr s ASP 86 CO 0.19 0.08 0.49 -0.13 0.21 0.00 0.00 175.17 176.00 1bnr s ARG 87 N 0.58 1.04 0.27 8.23 0.52 -0.61 -1.18 118.95 127.80 1bnr s ARG 87 Ca 0.16 -0.36 0.09 0.00 -0.52 0.00 0.00 55.73 55.11 1bnr s ARG 87 Cb -0.13 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 1bnr s ARG 87 CO 0.04 -0.39 0.03 -1.50 0.02 0.00 0.00 175.30 173.50 1bnr s ILE 88 N -2.79 3.50 -0.28 1.52 2.07 -0.43 -1.07 121.20 123.72 1bnr s ILE 88 Ca -0.03 -1.85 -0.01 0.00 -1.41 0.00 0.00 60.65 57.35 1bnr s ILE 88 Cb -0.00 -2.91 0.09 0.00 0.13 0.00 0.00 42.46 39.76 1bnr s ILE 88 CO -0.05 -0.35 0.06 -0.76 -1.91 0.00 0.00 174.94 171.93 1bnr s LEU 89 N -3.70 2.30 -0.11 8.50 2.01 0.17 -0.99 118.68 126.86 1bnr s LEU 89 Ca 0.32 -1.45 -0.07 0.00 0.01 0.00 0.00 54.13 52.94 1bnr s LEU 89 Cb -0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 46.19 45.17 1bnr s LEU 89 CO 0.21 -0.36 0.16 -0.72 1.01 0.00 0.00 176.35 176.64 1bnr s TYR 90 N 1.57 3.60 0.51 0.29 1.13 0.13 -1.35 117.35 123.24 1bnr s TYR 90 Ca 0.05 0.54 0.07 0.00 -1.41 0.00 0.00 57.07 56.33 1bnr s TYR 90 Cb -0.18 -1.95 0.03 0.00 -1.10 0.00 0.00 41.96 38.76 1bnr s TYR 90 CO -0.18 0.73 0.49 0.45 -2.51 0.00 0.00 175.55 174.54 1bnr s SER 91 N -1.09 4.88 0.51 -0.18 0.15 0.18 -0.07 113.70 118.07 1bnr s SER 91 Ca 0.16 -1.00 0.26 0.00 0.70 0.00 0.00 55.95 56.07 1bnr s SER 91 Cb -0.12 0.10 1.35 0.00 -1.71 0.00 0.00 66.02 65.64 1bnr s SER 91 CO 0.06 -1.03 2.04 0.77 1.20 0.00 0.00 173.24 176.27 1bnr h SER 92 N 0.69 0.00 -0.30 5.45 4.64 -1.91 -0.54 113.55 121.58 1bnr h SER 92 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1bnr h SER 92 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1bnr h SER 92 CO 0.53 0.14 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1bnr n ASP 93 N -3.67 2.98 -1.27 4.97 5.75 -1.26 -4.84 116.55 119.20 1bnr n ASP 93 Ca -0.02 -2.34 -0.13 0.00 -0.01 0.00 0.00 54.79 52.29 1bnr n ASP 93 Cb 0.26 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 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 -0.37 -2.64 2.11 5.03 -0.21 -4.95 117.44 116.78 1bnr n TRP 94 Ca 0.13 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.23 1bnr n TRP 94 Cb 0.61 -2.63 -0.02 0.00 -1.03 0.00 0.00 31.31 28.24 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 -3.39 3.81 -0.25 -0.99 1.43 -1.25 -4.73 118.68 113.31 1bnr s LEU 95 Ca 0.00 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 53.78 1bnr s LEU 95 Cb 0.00 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1bnr s LEU 95 CO 0.00 -1.05 0.06 -0.63 0.23 0.00 0.00 176.35 174.96 1bnr s ILE 96 N 4.00 4.20 -0.18 -0.59 1.01 -0.51 -0.65 121.20 128.47 1bnr s ILE 96 Ca 0.46 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1bnr s ILE 96 Cb -0.10 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.44 1bnr s ILE 96 CO 0.23 0.34 -0.14 -0.31 0.00 0.00 0.00 174.94 175.06 1bnr s TYR 97 N 1.60 2.50 0.20 3.97 1.51 -0.46 -1.61 117.35 125.06 1bnr s TYR 97 Ca 0.06 -1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 54.44 1bnr s TYR 97 Cb -0.15 -1.72 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 1bnr s TYR 97 CO 0.03 -0.75 0.59 -1.59 -1.11 0.00 0.00 175.55 172.72 1bnr s LYS 98 N 1.37 3.96 -0.07 -0.62 -2.85 -0.39 -0.66 119.74 120.48 1bnr s LYS 98 Ca 0.02 0.48 0.00 0.00 -1.00 0.00 0.00 55.97 55.48 1bnr s LYS 98 Cb -0.15 -2.78 0.02 0.00 -2.06 0.00 0.00 37.83 32.87 1bnr s LYS 98 CO -0.10 0.38 -0.05 -0.08 0.10 0.00 0.00 175.35 175.60 1bnr s THR 99 N -1.64 0.69 -0.33 3.79 -1.32 -0.23 -1.00 115.64 115.59 1bnr s THR 99 Ca 0.43 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 60.83 1bnr s THR 99 Cb -0.13 -0.72 0.56 0.00 -1.51 0.00 0.00 72.50 70.70 1bnr s THR 99 CO 0.20 0.28 1.61 0.41 -2.21 0.00 0.00 174.62 174.90 1bnr n THR 100 N 4.42 2.74 -2.00 5.08 -1.04 -1.26 -1.57 114.28 120.65 1bnr n THR 100 Ca -0.18 -2.43 -0.00 0.00 -2.04 0.00 0.00 64.05 59.40 1bnr n THR 100 Cb 0.51 -0.36 -0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1bnr n THR 100 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bnr n ASP 101 N -1.06 0.00 -1.57 8.00 5.75 -1.18 -4.75 116.55 121.73 1bnr n ASP 101 Ca 0.41 -1.51 -0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1bnr n ASP 101 Cb 1.23 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1bnr n HIS 102 N 0.00 -0.14 -1.26 2.11 -0.00 0.13 -3.76 115.22 112.31 1bnr n HIS 102 Ca -0.00 0.05 -0.11 0.00 0.46 0.00 0.00 57.72 58.12 1bnr n HIS 102 Cb 0.61 -1.73 -0.05 0.00 -0.12 0.00 0.00 29.99 28.69 1bnr n HIS 102 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1bnr n TYR 103 N -1.10 -0.21 0.46 1.57 4.01 -1.26 -4.74 117.16 115.89 1bnr n TYR 103 Ca -0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1bnr n TYR 103 Cb 0.50 -2.50 0.04 0.00 -0.31 0.00 0.00 39.34 37.07 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 -1.32 0.36 -3.86 -0.72 1.13 -1.25 -4.90 117.38 106.83 1bnr n GLN 104 Ca -0.11 0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.86 1bnr n GLN 104 Cb 0.46 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 29.06 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1bnr s THR 105 N -3.24 0.06 -0.03 5.09 2.01 -1.26 -5.00 115.64 113.28 1bnr s THR 105 Ca 0.03 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1bnr s THR 105 Cb 0.13 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.30 1bnr s THR 105 CO 0.79 -0.28 0.05 -0.36 -0.69 0.00 0.00 174.62 174.13 1bnr s PHE 106 N -0.97 0.00 -0.07 4.92 0.40 -1.25 -3.70 117.98 117.32 1bnr s PHE 106 Ca -0.11 0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 1bnr s PHE 106 Cb -0.06 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1bnr s PHE 106 CO 0.01 -0.10 -0.25 0.99 0.70 0.00 0.00 175.22 176.57 1bnr s THR 107 N 1.09 2.05 -0.33 0.64 2.01 -0.17 -4.84 115.64 116.08 1bnr s THR 107 Ca -0.09 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.57 1bnr s THR 107 Cb -0.13 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1bnr s THR 107 CO -0.03 0.57 1.12 -0.75 -0.69 0.00 0.00 174.62 174.84 1bnr s LYS 108 N -0.01 4.00 0.00 4.92 2.20 -1.26 -1.26 119.74 128.33 1bnr s LYS 108 Ca -0.08 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 1bnr s LYS 108 Cb -0.15 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1bnr s LYS 108 CO 0.05 -1.00 0.00 0.44 -0.36 0.00 0.00 175.35 174.48 1bnr n ILE 109 N 6.05 0.00 0.59 5.43 -5.35 -0.63 -5.01 119.36 120.44 1bnr n ILE 109 Ca 0.12 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.68 1bnr n ILE 109 Cb 0.47 -0.57 0.06 0.00 -1.74 0.00 0.00 39.64 37.86 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33