#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 3.10 0.33 0.00 -0.21 -1.26 -5.00 119.66 116.62 1bnr s GLN 2 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1bnr s GLN 2 Cb 0.00 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 31.13 1bnr s GLN 2 CO 0.00 0.65 0.00 1.33 -2.12 0.00 0.00 175.29 175.15 1bnr n VAL 3 N 1.18 0.00 -3.77 1.09 0.24 -1.26 -4.63 118.33 111.18 1bnr n VAL 3 Ca -0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.88 1bnr n VAL 3 Cb 0.53 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 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 0.00 0.85 -0.34 1.34 1.01 -1.26 -4.99 121.20 117.82 1bnr s ILE 4 Ca 0.00 -1.00 0.16 0.00 0.00 0.00 0.00 60.65 59.81 1bnr s ILE 4 Cb 0.00 -1.42 0.45 0.00 0.01 0.00 0.00 42.46 41.50 1bnr s ILE 4 CO 0.00 -0.36 1.04 -0.46 0.00 0.00 0.00 174.94 175.16 1bnr n ASN 5 N 4.90 0.74 -1.95 3.58 6.94 -1.26 -4.73 115.26 123.48 1bnr n ASN 5 Ca -0.07 -2.65 -0.08 0.00 -0.02 0.00 0.00 54.58 51.77 1bnr n ASN 5 Cb 0.45 -0.20 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.19 0.00 0.02 5.53 -2.24 -1.26 0.00 114.28 116.15 1bnr n THR 6 Ca 0.06 -0.96 -0.07 0.00 -2.27 0.00 0.00 64.05 60.82 1bnr n THR 6 Cb 0.83 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.40 -0.15 -0.07 4.78 0.04 -1.96 -2.21 116.94 118.77 1bnr h PHE 7 Ca -0.10 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 1bnr h PHE 7 Cb 0.47 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1bnr h PHE 7 CO 0.00 0.15 -0.53 -0.44 -0.60 0.00 0.00 178.31 176.89 1bnr h ASP 8 N -0.99 0.21 0.17 2.17 5.19 -1.97 -1.03 116.42 120.16 1bnr h ASP 8 Ca -0.02 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1bnr h ASP 8 Cb 0.37 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1bnr h ASP 8 CO 0.03 0.70 -0.08 1.23 -3.12 0.00 0.00 179.24 177.99 1bnr h GLY 9 N 1.42 -0.24 1.05 2.75 0.00 -1.97 -0.58 103.07 105.50 1bnr h GLY 9 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1bnr h GLY 9 CO 0.08 -0.09 0.09 -2.08 0.00 0.00 0.00 176.54 174.54 1bnr h VAL 10 N -0.61 1.26 -0.74 4.60 2.07 -1.42 -1.53 116.25 119.88 1bnr h VAL 10 Ca -0.02 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1bnr h VAL 10 Cb 0.45 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1bnr h VAL 10 CO 0.04 0.38 0.49 0.00 0.02 0.00 0.00 177.57 178.50 1bnr h ALA 11 N 1.03 1.53 0.43 1.67 0.00 -1.16 0.20 119.26 122.95 1bnr h ALA 11 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bnr h ALA 11 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bnr h ALA 11 CO 0.01 0.40 -0.21 -0.44 0.00 0.00 0.00 179.25 179.02 1bnr h ASP 12 N 0.94 -0.49 0.07 0.00 5.19 -0.43 -1.52 116.42 120.19 1bnr h ASP 12 Ca 0.29 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1bnr h ASP 12 Cb -0.01 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1bnr h ASP 12 CO -0.08 -0.15 0.00 0.22 -3.12 0.00 0.00 179.24 176.11 1bnr h TYR 13 N -0.85 0.00 0.24 4.55 5.03 -0.91 0.17 116.97 125.21 1bnr h TYR 13 Ca -0.06 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1bnr h TYR 13 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1bnr h TYR 13 CO 0.01 0.00 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.66 1bnr h LEU 14 N 0.00 -0.28 -0.12 2.82 3.38 -0.07 -0.65 115.31 120.39 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 0.04 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1bnr h LEU 14 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1bnr n GLN 15 N -4.85 0.04 -0.02 1.13 10.64 -0.62 0.49 117.38 124.18 1bnr n GLN 15 Ca -0.04 0.26 -0.01 0.00 -1.83 0.00 0.00 57.00 55.37 1bnr n GLN 15 Cb 0.13 -1.57 -0.00 0.00 -0.86 0.00 0.00 30.24 27.93 1bnr n GLN 15 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1bnr h THR 16 N 0.00 0.00 -0.00 -0.39 2.02 -0.67 -3.40 112.91 110.46 1bnr h THR 16 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1bnr h THR 16 Cb 0.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1bnr h THR 16 CO 0.00 0.00 -0.32 -1.22 0.37 0.00 0.00 175.52 174.35 1bnr n TYR 17 N -2.99 0.00 -3.45 3.16 4.02 -0.26 -4.96 117.16 112.68 1bnr n TYR 17 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.65 1bnr n TYR 17 Cb 0.08 -0.18 0.06 0.00 -0.02 0.00 0.00 39.34 39.28 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 -0.98 -2.21 0.00 -0.72 8.25 0.18 -4.96 115.22 114.78 1bnr n HIS 18 Ca 0.10 0.72 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1bnr n HIS 18 Cb 0.34 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.49 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 -3.70 0.00 -1.35 -0.41 2.85 -1.24 -5.05 118.16 109.26 1bnr n LYS 19 Ca -0.11 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.77 1bnr n LYS 19 Cb 0.62 0.00 0.02 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 -1.51 -4.41 -5.58 4.77 -1.26 -4.65 117.00 104.36 1bnr n LEU 20 Ca 0.00 0.69 -0.32 0.00 -0.03 0.00 0.00 56.01 56.35 1bnr n LEU 20 Cb 0.00 -1.01 0.15 0.00 -2.33 0.00 0.00 43.42 40.23 1bnr n LEU 20 CO 0.00 -3.95 -0.09 -2.65 -1.33 0.00 0.00 177.39 169.37 1bnr n PRO 21 N 0.74 -0.82 0.00 3.23 -0.02 -1.26 -4.82 135.00 132.05 1bnr n PRO 21 Ca 0.10 -0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 1bnr n PRO 21 Cb 0.47 -1.89 0.44 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.97 0.00 -1.18 2.55 8.00 -1.26 -2.00 116.55 120.68 1bnr n ASP 22 Ca 0.05 -0.04 0.09 0.00 0.71 0.00 0.00 54.79 55.60 1bnr n ASP 22 Cb 0.56 -0.24 0.27 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.24 3.44 -4.42 -2.24 0.23 -1.26 -4.81 115.26 104.95 1bnr n ASN 23 Ca 0.09 -2.13 -0.42 0.00 -0.53 0.00 0.00 54.58 51.59 1bnr n ASN 23 Cb 0.12 -0.44 -0.10 0.00 -2.08 0.00 0.00 39.78 37.28 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 -1.42 3.24 -0.22 -2.53 1.51 -0.85 -0.59 117.35 116.49 1bnr s TYR 24 Ca 0.40 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1bnr s TYR 24 Cb 0.23 -2.56 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 1bnr s TYR 24 CO 0.24 -0.63 -0.10 0.96 -1.11 0.00 0.00 175.55 174.92 1bnr s ILE 25 N 1.63 2.77 1.01 2.71 -5.25 0.12 -4.72 121.20 119.47 1bnr s ILE 25 Ca 0.04 -0.84 -0.21 0.00 -0.99 0.00 0.00 60.65 58.65 1bnr s ILE 25 Cb -0.19 -2.30 -0.02 0.00 2.95 0.00 0.00 42.46 42.90 1bnr s ILE 25 CO 0.09 0.37 -0.61 0.35 -1.79 0.00 0.00 174.94 173.34 1bnr n THR 26 N 4.69 0.00 -0.12 8.37 -2.24 -1.23 -3.82 114.28 119.93 1bnr n THR 26 Ca -0.18 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1bnr n THR 26 Cb 0.49 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.71 0.72 -0.90 -0.78 6.56 -1.90 -2.59 116.57 115.97 1bnr h LYS 27 Ca -0.40 -0.30 0.10 0.00 -1.06 0.00 0.00 60.65 58.99 1bnr h LYS 27 Cb 1.19 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.75 1bnr h LYS 27 CO 0.25 0.90 0.55 0.77 -2.06 0.00 0.00 179.45 179.85 1bnr h SER 28 N 0.51 0.81 -0.93 0.86 0.02 -1.97 0.21 113.55 113.06 1bnr h SER 28 Ca 0.09 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1bnr h SER 28 Cb 0.66 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 1bnr h SER 28 CO 0.04 0.46 0.59 -0.33 -1.14 0.00 0.00 176.83 176.46 1bnr h GLU 29 N 0.91 1.04 -0.51 3.45 4.39 -1.77 0.11 114.58 122.20 1bnr h GLU 29 Ca 0.43 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 60.01 1bnr h GLU 29 Cb 0.36 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1bnr h GLU 29 CO -0.24 0.69 0.08 0.00 -1.16 0.00 0.00 179.01 178.38 1bnr h ALA 30 N 1.43 1.19 -0.91 3.43 0.00 -0.27 -1.88 119.26 122.25 1bnr h ALA 30 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bnr h ALA 30 Cb 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1bnr h ALA 30 CO -0.18 0.54 0.58 1.96 0.00 0.00 0.00 179.25 182.15 1bnr h GLN 31 N 0.76 1.21 -0.59 0.00 1.08 0.62 0.35 115.11 118.54 1bnr h GLN 31 Ca 0.16 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1bnr h GLN 31 Cb 0.34 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1bnr h GLN 31 CO 0.01 0.82 0.39 0.00 -0.95 0.00 0.00 178.83 179.10 1bnr h ALA 32 N 1.40 1.65 0.00 3.87 0.00 -0.40 -0.30 119.26 125.48 1bnr h ALA 32 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bnr h ALA 32 Cb -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1bnr h ALA 32 CO -0.07 0.30 -0.09 1.28 0.00 0.00 0.00 179.25 180.68 1bnr n LEU 33 N -4.46 0.68 0.00 0.00 4.32 -0.49 -4.89 117.00 112.17 1bnr n LEU 33 Ca 0.07 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1bnr n LEU 33 Cb 0.10 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1bnr n LEU 33 CO 0.35 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1bnr n GLY 34 N 1.34 0.99 3.35 -0.72 0.00 -0.12 -4.88 105.19 105.15 1bnr n GLY 34 Ca 0.05 0.00 -0.36 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 -1.94 3.03 -0.42 1.61 -0.00 -0.01 -4.75 118.94 116.46 1bnr s TRP 35 Ca 0.00 -0.83 -0.21 0.00 -0.00 0.00 0.00 56.10 55.06 1bnr s TRP 35 Cb 0.00 -2.16 0.02 0.00 -0.00 0.00 0.00 33.47 31.32 1bnr s TRP 35 CO 0.00 -0.51 0.65 0.08 -0.00 0.00 0.00 176.95 177.17 1bnr s VAL 36 N 1.51 4.83 0.12 5.86 1.01 -1.26 -3.84 120.40 128.64 1bnr s VAL 36 Ca 0.05 0.26 0.26 0.00 0.00 0.00 0.00 61.98 62.55 1bnr s VAL 36 Cb -0.15 -4.18 0.26 0.00 0.00 0.00 0.00 36.38 32.31 1bnr s VAL 36 CO -0.01 -0.53 1.77 0.00 0.00 0.00 0.00 175.10 176.34 1bnr h ALA 37 N 8.77 1.07 0.06 5.51 0.00 -1.97 0.22 119.26 132.92 1bnr h ALA 37 Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bnr h ALA 37 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1bnr h ALA 37 CO 0.88 -0.07 -0.03 0.77 0.00 0.00 0.00 179.25 180.80 1bnr h SER 38 N 0.00 -0.07 0.28 0.00 0.02 -2.05 -3.28 113.55 108.45 1bnr h SER 38 Ca 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1bnr h SER 38 Cb 0.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1bnr h SER 38 CO 0.00 0.60 -0.02 0.29 -1.14 0.00 0.00 176.83 176.55 1bnr n LYS 39 N -4.78 0.77 -3.25 3.45 5.02 -0.89 -4.97 118.16 113.51 1bnr n LYS 39 Ca -0.05 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1bnr n LYS 39 Cb 0.23 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.17 -0.36 2.61 0.72 0.00 0.71 -4.84 105.19 105.20 1bnr n GLY 40 Ca 0.18 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 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 0.61 2.39 -0.14 1.61 6.94 -1.25 -4.25 115.26 121.15 1bnr n ASN 41 Ca -0.03 -2.85 -0.09 0.00 -0.02 0.00 0.00 54.58 51.60 1bnr n ASN 41 Cb 0.53 -0.49 -0.00 0.00 -2.36 0.00 0.00 39.78 37.45 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 2.77 0.56 0.00 -4.53 5.85 -1.90 -1.15 115.31 116.91 1bnr h LEU 42 Ca 0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1bnr h LEU 42 Cb 1.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1bnr h LEU 42 CO 0.52 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 179.18 1bnr n ALA 43 N -2.30 1.37 -0.03 1.25 0.00 -1.26 0.26 120.51 119.81 1bnr n ALA 43 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1bnr n ALA 43 Cb 0.13 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1bnr n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bnr n ASP 44 N -1.41 0.40 0.00 0.00 9.92 -0.48 -4.41 116.55 120.57 1bnr n ASP 44 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1bnr n ASP 44 Cb 0.06 1.66 0.00 0.00 -0.64 0.00 0.00 41.12 42.20 1bnr n ASP 44 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1bnr n VAL 45 N -2.33 0.00 -3.05 2.53 0.24 -0.74 -4.88 118.33 110.09 1bnr n VAL 45 Ca -0.11 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.95 1bnr n VAL 45 Cb 0.68 -1.30 -0.04 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.89 3.66 -0.47 2.33 0.00 0.14 -4.97 120.51 118.31 1bnr n ALA 46 Ca 0.00 -4.22 -0.18 0.00 0.00 0.00 0.00 53.44 49.05 1bnr n ALA 46 Cb 0.47 -0.81 0.28 0.00 0.00 0.00 0.00 19.45 19.39 1bnr n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bnr n PRO 47 N 0.01 -4.37 -4.00 0.00 -0.04 0.27 -4.07 135.00 122.79 1bnr n PRO 47 Ca 0.29 -1.49 -0.43 0.00 -0.04 0.00 0.00 63.50 61.82 1bnr n PRO 47 Cb 0.49 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1bnr n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bnr n GLY 48 N -5.35 -0.85 3.58 0.55 0.00 -1.26 -4.94 105.19 96.93 1bnr n GLY 48 Ca 0.14 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 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 1.62 -0.07 1.61 1.02 -1.26 -5.03 119.74 110.48 1bnr s LYS 49 Ca 0.48 -1.33 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1bnr s LYS 49 Cb -0.24 0.47 0.03 0.00 -0.52 0.00 0.00 37.83 37.57 1bnr s LYS 49 CO 0.95 -0.68 0.03 -1.12 -0.92 0.00 0.00 175.35 173.61 1bnr s SER 50 N -3.05 1.54 -0.61 2.83 0.01 0.24 -4.96 113.70 109.70 1bnr s SER 50 Ca 0.23 -0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 1bnr s SER 50 Cb -0.01 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.91 1bnr s SER 50 CO 0.11 -0.23 1.40 -0.63 0.41 0.00 0.00 173.24 174.30 1bnr s ILE 51 N 2.05 3.76 0.25 1.44 -1.09 -1.25 0.15 121.20 126.50 1bnr s ILE 51 Ca 0.05 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 58.99 1bnr s ILE 51 Cb -0.13 -4.53 -0.02 0.00 -1.58 0.00 0.00 42.46 36.20 1bnr s ILE 51 CO -0.05 -1.32 0.36 -0.83 -1.23 0.00 0.00 174.94 171.88 1bnr s GLY 52 N 4.42 0.97 0.00 6.18 0.00 -1.25 -0.26 107.32 117.38 1bnr s GLY 52 Ca 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1bnr s GLY 52 CO 0.22 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 173.00 1bnr n GLY 53 N -0.37 0.88 3.79 0.20 0.00 -0.48 -3.55 105.19 105.65 1bnr n GLY 53 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.21 7.29 0.27 1.61 1.01 -1.11 -4.88 116.67 118.65 1bnr s ASP 54 Ca 0.00 1.82 -0.29 0.00 0.71 0.00 0.00 52.55 54.78 1bnr s ASP 54 Cb 0.00 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1bnr s ASP 54 CO 0.00 -0.11 1.25 -0.63 0.21 0.00 0.00 175.17 175.89 1bnr s ILE 55 N -1.69 3.11 -0.63 0.77 -1.09 -1.26 -1.58 121.20 118.83 1bnr s ILE 55 Ca 0.52 1.04 -0.04 0.00 -2.23 0.00 0.00 60.65 59.94 1bnr s ILE 55 Cb -0.17 -3.66 0.16 0.00 -1.58 0.00 0.00 42.46 37.21 1bnr s ILE 55 CO 0.22 0.22 0.45 0.12 -1.23 0.00 0.00 174.94 174.72 1bnr s PHE 56 N -0.71 3.44 -1.49 3.97 5.36 -0.48 -4.75 117.98 123.33 1bnr s PHE 56 Ca 0.50 -2.64 0.15 0.00 -0.96 0.00 0.00 56.93 53.99 1bnr s PHE 56 Cb -0.36 -3.25 0.79 0.00 -0.34 0.00 0.00 43.02 39.85 1bnr s PHE 56 CO 0.45 -0.86 1.42 0.43 -1.46 0.00 0.00 175.22 175.19 1bnr n SER 57 N 3.60 0.00 -2.82 6.13 7.64 -1.26 -3.20 113.62 123.71 1bnr n SER 57 Ca 0.07 0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.85 1bnr n SER 57 Cb 0.39 -0.26 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 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 -1.26 -5.37 0.25 6.43 2.85 -1.26 -4.88 115.26 112.02 1bnr n ASN 58 Ca 0.08 -0.53 0.08 0.00 -0.11 0.00 0.00 54.58 54.09 1bnr n ASN 58 Cb 0.11 -4.06 0.61 0.00 1.24 0.00 0.00 39.78 37.69 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 -0.84 0.00 0.00 1.20 2.43 -2.00 -3.28 114.38 111.88 1bnr h ARG 59 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1bnr h ARG 59 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1bnr h ARG 59 CO 0.33 0.11 0.00 0.39 -1.51 0.00 0.00 179.97 179.29 1bnr n GLU 60 N -4.25 0.00 0.00 0.20 4.71 -1.26 -5.04 120.64 115.00 1bnr n GLU 60 Ca -0.03 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1bnr n GLU 60 Cb 0.18 -0.81 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 1bnr n GLU 60 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bnr n GLY 61 N 2.01 0.96 0.02 0.62 0.00 -1.24 -5.05 105.19 102.51 1bnr n GLY 61 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 4.50 -3.62 1.61 5.02 -1.26 -5.01 118.16 119.39 1bnr n LYS 62 Ca 0.00 -0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 55.79 1bnr n LYS 62 Cb 0.00 -0.70 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.54 4.33 -0.89 -0.35 1.43 -1.26 -4.95 118.68 115.43 1bnr s LEU 63 Ca 0.01 0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 53.56 1bnr s LEU 63 Cb 0.01 -3.04 -0.17 0.00 0.03 0.00 0.00 46.19 43.02 1bnr s LEU 63 CO 0.05 0.15 2.31 -2.84 0.23 0.00 0.00 176.35 176.25 1bnr s PRO 64 N -2.10 1.44 0.06 1.29 0.02 -1.26 -4.89 135.00 129.56 1bnr s PRO 64 Ca 0.35 0.17 0.01 0.00 0.02 0.00 0.00 61.00 61.54 1bnr s PRO 64 Cb -0.13 -4.85 0.01 0.00 0.02 0.00 0.00 34.50 29.54 1bnr s PRO 64 CO 0.19 -4.83 0.08 0.41 -0.33 0.00 0.00 177.00 172.52 1bnr n GLY 65 N 6.59 2.18 1.34 0.52 0.00 -1.26 -5.07 105.19 109.49 1bnr n GLY 65 Ca 0.45 -2.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.31 1bnr n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnr n LYS 66 N -1.03 0.25 -2.04 1.61 5.02 -1.26 -5.00 118.16 115.71 1bnr n LYS 66 Ca 0.01 -0.55 -0.27 0.00 -2.02 0.00 0.00 58.31 55.49 1bnr n LYS 66 Cb 0.07 0.73 -0.05 0.00 -0.02 0.00 0.00 35.03 35.76 1bnr n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bnr s SER 67 N -1.83 5.11 0.00 4.39 0.01 -1.26 -2.80 113.70 117.32 1bnr s SER 67 Ca 0.08 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1bnr s SER 67 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1bnr s SER 67 CO 0.02 -2.79 0.00 0.61 0.41 0.00 0.00 173.24 171.49 1bnr n GLY 68 N 6.75 0.69 3.22 3.44 0.00 -1.26 -5.11 105.19 112.91 1bnr n GLY 68 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 0.61 2.61 0.34 1.61 3.52 -1.12 -5.13 118.95 121.39 1bnr s ARG 69 Ca 0.00 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1bnr s ARG 69 Cb 0.00 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 1bnr s ARG 69 CO 0.00 0.26 0.15 0.99 -0.81 0.00 0.00 175.30 175.89 1bnr s THR 70 N 0.11 3.00 0.17 4.11 2.01 -1.26 -4.72 115.64 119.06 1bnr s THR 70 Ca -0.10 -1.68 0.01 0.00 0.31 0.00 0.00 61.69 60.22 1bnr s THR 70 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1bnr s THR 70 CO 0.06 -0.17 0.04 0.26 -0.69 0.00 0.00 174.62 174.12 1bnr s TRP 71 N -2.43 1.13 0.02 4.92 0.52 -1.19 -4.27 118.94 117.63 1bnr s TRP 71 Ca 0.38 -1.14 0.03 0.00 0.02 0.00 0.00 56.10 55.39 1bnr s TRP 71 Cb -0.02 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.65 1bnr s TRP 71 CO 0.23 -0.37 -0.10 1.03 0.02 0.00 0.00 176.95 177.76 1bnr s ARG 72 N -4.00 0.73 0.20 4.98 0.52 0.59 -1.38 118.95 120.59 1bnr s ARG 72 Ca 0.27 -0.54 0.11 0.00 -0.52 0.00 0.00 55.73 55.05 1bnr s ARG 72 Cb 0.07 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 1bnr s ARG 72 CO 0.05 0.17 -0.22 -1.83 0.02 0.00 0.00 175.30 173.50 1bnr s GLU 73 N -0.77 1.47 -0.01 3.54 -1.05 -0.62 -0.26 118.70 121.00 1bnr s GLU 73 Ca 0.00 -1.53 -0.10 0.00 -0.15 0.00 0.00 54.97 53.19 1bnr s GLU 73 Cb -0.06 -1.68 0.01 0.00 -0.44 0.00 0.00 34.13 31.96 1bnr s GLU 73 CO 0.00 0.35 0.21 0.00 0.95 0.00 0.00 175.26 176.78 1bnr s ALA 74 N -1.91 -0.53 0.18 -0.84 0.00 -0.30 -1.39 121.76 116.97 1bnr s ALA 74 Ca 0.21 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1bnr s ALA 74 Cb -0.07 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 1bnr s ALA 74 CO 0.10 -0.22 1.36 -0.51 0.00 0.00 0.00 175.76 176.49 1bnr s ASP 75 N -1.21 6.83 -0.21 0.00 1.11 0.65 -1.29 116.67 122.54 1bnr s ASP 75 Ca -0.13 2.42 0.01 0.00 0.18 0.00 0.00 52.55 55.04 1bnr s ASP 75 Cb -0.06 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.36 1bnr s ASP 75 CO 0.02 -0.60 -0.15 -0.63 1.18 0.00 0.00 175.17 174.99 1bnr s ILE 76 N 0.42 2.19 0.11 0.77 -1.09 -0.59 -4.76 121.20 118.25 1bnr s ILE 76 Ca 0.60 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1bnr s ILE 76 Cb -0.38 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 1bnr s ILE 76 CO 0.36 0.31 0.00 0.59 -1.23 0.00 0.00 174.94 174.97 1bnr n ASN 77 N 4.56 -4.82 -3.60 3.58 4.13 0.10 -4.35 115.26 114.87 1bnr n ASN 77 Ca -0.18 0.54 -0.09 0.00 1.68 0.00 0.00 54.58 56.53 1bnr n ASN 77 Cb 0.47 -2.07 -0.05 0.00 -1.54 0.00 0.00 39.78 36.58 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 -0.71 -0.32 0.00 3.10 5.04 -1.26 -4.80 117.35 118.39 1bnr s TYR 78 Ca 0.00 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 1bnr s TYR 78 Cb 0.00 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1bnr s TYR 78 CO 0.00 -0.27 0.00 0.25 -1.34 0.00 0.00 175.55 174.19 1bnr n THR 79 N 0.96 0.00 -4.12 4.34 -2.24 -1.26 -5.00 114.28 106.95 1bnr n THR 79 Ca -0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1bnr n THR 79 Cb 0.58 -0.18 -0.07 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 0.91 0.28 0.00 3.42 1.04 -1.26 -4.68 113.70 113.42 1bnr s SER 80 Ca 0.00 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1bnr s SER 80 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1bnr s SER 80 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1bnr n GLY 81 N -0.38 -1.87 3.34 7.32 0.00 -1.26 -4.90 105.19 107.43 1bnr n GLY 81 Ca 0.01 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.64 0.73 1.61 0.40 -1.26 -4.63 117.98 114.19 1bnr s PHE 82 Ca 0.00 0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 56.72 1bnr s PHE 82 Cb 0.00 -2.99 0.03 0.00 0.51 0.00 0.00 43.02 40.57 1bnr s PHE 82 CO 0.00 -4.91 1.10 1.03 0.70 0.00 0.00 175.22 173.13 1bnr s ARG 83 N -5.19 2.64 0.00 0.44 0.52 -1.26 -4.95 118.95 111.15 1bnr s ARG 83 Ca 0.69 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 1bnr s ARG 83 Cb -0.11 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1bnr s ARG 83 CO 0.57 -1.20 0.00 0.27 0.02 0.00 0.00 175.30 174.96 1bnr n ASN 84 N -3.13 0.47 -1.29 0.23 0.23 -1.26 -5.02 115.26 105.49 1bnr n ASN 84 Ca 0.07 -0.83 0.08 0.00 -0.53 0.00 0.00 54.58 53.37 1bnr n ASN 84 Cb 0.57 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.58 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 -2.10 4.41 -4.69 0.53 7.64 -1.26 -4.86 113.62 113.28 1bnr n SER 85 Ca 0.00 -2.63 -0.37 0.00 1.01 0.00 0.00 58.87 56.88 1bnr n SER 85 Cb 0.00 -0.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.20 6.34 -0.04 6.43 1.11 -1.26 0.96 116.67 129.01 1bnr s ASP 86 Ca 0.45 0.39 -0.30 0.00 0.18 0.00 0.00 52.55 53.26 1bnr s ASP 86 Cb 0.32 -2.18 0.07 0.00 1.07 0.00 0.00 42.92 42.20 1bnr s ASP 86 CO 0.17 0.02 0.68 -0.13 1.18 0.00 0.00 175.17 177.09 1bnr s ARG 87 N 0.96 1.07 0.20 8.23 0.52 0.45 -1.54 118.95 128.84 1bnr s ARG 87 Ca 0.15 0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.63 1bnr s ARG 87 Cb -0.14 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 35.80 1bnr s ARG 87 CO 0.05 -0.34 0.09 -1.50 0.02 0.00 0.00 175.30 173.62 1bnr s ILE 88 N -1.37 4.10 -0.26 1.52 2.07 -0.41 0.18 121.20 127.04 1bnr s ILE 88 Ca -0.10 -1.37 0.01 0.00 -1.41 0.00 0.00 60.65 57.78 1bnr s ILE 88 Cb -0.00 -3.13 0.07 0.00 0.13 0.00 0.00 42.46 39.53 1bnr s ILE 88 CO 0.08 -0.20 -0.02 -0.76 -1.91 0.00 0.00 174.94 172.14 1bnr s LEU 89 N -3.29 2.80 -0.12 8.50 2.01 0.10 -1.15 118.68 127.53 1bnr s LEU 89 Ca 0.30 -1.37 -0.05 0.00 0.01 0.00 0.00 54.13 53.01 1bnr s LEU 89 Cb -0.09 -1.19 -0.04 0.00 0.01 0.00 0.00 46.19 44.89 1bnr s LEU 89 CO 0.22 -0.28 0.09 -0.72 1.01 0.00 0.00 176.35 176.67 1bnr s TYR 90 N 1.37 3.43 0.49 0.29 1.13 0.64 -1.40 117.35 123.29 1bnr s TYR 90 Ca -0.01 0.39 0.07 0.00 -1.41 0.00 0.00 57.07 56.10 1bnr s TYR 90 Cb -0.19 -1.91 0.01 0.00 -1.10 0.00 0.00 41.96 38.78 1bnr s TYR 90 CO -0.09 0.60 0.41 0.45 -2.51 0.00 0.00 175.55 174.41 1bnr s SER 91 N -0.85 4.81 0.52 -0.18 0.15 0.14 -0.30 113.70 117.99 1bnr s SER 91 Ca 0.13 -1.01 0.27 0.00 0.70 0.00 0.00 55.95 56.05 1bnr s SER 91 Cb -0.12 -0.04 1.42 0.00 -1.71 0.00 0.00 66.02 65.57 1bnr s SER 91 CO 0.03 -0.91 2.06 0.77 1.20 0.00 0.00 173.24 176.38 1bnr h SER 92 N 0.86 0.00 -0.30 5.45 4.64 -1.91 -0.43 113.55 121.86 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 0.57 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 1bnr n ASP 93 N -3.62 3.07 -1.54 4.97 5.68 -1.26 -4.84 116.55 119.01 1bnr n ASP 93 Ca -0.02 -2.37 -0.14 0.00 -0.50 0.00 0.00 54.79 51.77 1bnr n ASP 93 Cb 0.25 -0.53 -0.01 0.00 -1.14 0.00 0.00 41.12 39.70 1bnr n ASP 93 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bnr n TRP 94 N 0.36 -0.63 -2.72 2.11 5.03 -0.17 -4.95 117.44 116.48 1bnr n TRP 94 Ca 0.13 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.24 1bnr n TRP 94 Cb 0.64 -2.93 -0.03 0.00 -1.03 0.00 0.00 31.31 27.96 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 3.88 -0.29 -0.99 1.43 -1.24 -4.75 118.68 112.82 1bnr s LEU 95 Ca 0.00 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1bnr s LEU 95 Cb 0.00 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1bnr s LEU 95 CO 0.00 -1.00 0.06 -0.63 0.23 0.00 0.00 176.35 175.02 1bnr s ILE 96 N 3.82 3.82 -0.18 -0.59 1.01 -1.25 -0.69 121.20 127.14 1bnr s ILE 96 Ca 0.42 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1bnr s ILE 96 Cb -0.10 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.42 1bnr s ILE 96 CO 0.23 0.10 -0.17 -0.31 0.00 0.00 0.00 174.94 174.78 1bnr s TYR 97 N 1.48 2.67 -0.31 3.97 1.51 -0.50 -1.96 117.35 124.22 1bnr s TYR 97 Ca 0.02 -1.62 -0.22 0.00 -1.01 0.00 0.00 57.07 54.24 1bnr s TYR 97 Cb -0.17 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1bnr s TYR 97 CO 0.02 -0.78 0.71 -1.59 -1.11 0.00 0.00 175.55 172.79 1bnr s LYS 98 N 1.32 3.93 -0.15 -0.62 -2.85 0.23 -0.72 119.74 120.89 1bnr s LYS 98 Ca 0.03 0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 55.41 1bnr s LYS 98 Cb -0.14 -3.73 -0.03 0.00 -2.06 0.00 0.00 37.83 31.88 1bnr s LYS 98 CO -0.11 -0.62 -0.03 -0.08 0.10 0.00 0.00 175.35 174.60 1bnr s THR 99 N 2.78 3.96 -0.22 3.79 -1.32 0.47 -1.53 115.64 123.57 1bnr s THR 99 Ca 0.29 -0.34 0.16 0.00 -1.21 0.00 0.00 61.69 60.58 1bnr s THR 99 Cb -0.15 -2.73 0.37 0.00 -1.51 0.00 0.00 72.50 68.49 1bnr s THR 99 CO 0.12 0.50 1.27 0.35 -2.21 0.00 0.00 174.62 174.65 1bnr n THR 100 N 3.37 1.90 -2.14 5.08 -2.24 -1.24 0.17 114.28 119.18 1bnr n THR 100 Ca -0.17 -1.86 0.02 0.00 -2.27 0.00 0.00 64.05 59.76 1bnr n THR 100 Cb 0.53 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.76 0.43 -1.63 3.42 5.68 -0.00 -4.36 116.55 119.34 1bnr n ASP 101 Ca 0.17 -2.06 -0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1bnr n ASP 101 Cb 0.70 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.12 -0.25 -1.42 2.11 -0.00 0.27 -3.68 115.22 112.37 1bnr n HIS 102 Ca 0.03 0.10 -0.11 0.00 -0.00 0.00 0.00 57.72 57.74 1bnr n HIS 102 Cb 0.85 -1.72 -0.04 0.00 -0.00 0.00 0.00 29.99 29.08 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 -1.02 -0.57 0.52 1.57 4.01 -1.26 -4.72 117.16 115.68 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 0.47 -2.32 0.05 0.00 -0.31 0.00 0.00 39.34 37.22 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 -1.81 0.32 -3.77 -0.72 6.02 -1.24 -4.90 117.38 111.28 1bnr n GLN 104 Ca -0.11 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 1bnr n GLN 104 Cb 0.38 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 1bnr n GLN 104 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1bnr s THR 105 N -3.21 0.03 -0.17 5.09 -1.32 -1.26 -4.98 115.64 109.81 1bnr s THR 105 Ca 0.03 -0.27 -0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1bnr s THR 105 Cb 0.14 -0.52 0.06 0.00 -1.51 0.00 0.00 72.50 70.66 1bnr s THR 105 CO 0.79 -0.15 0.04 -0.36 -2.21 0.00 0.00 174.62 172.73 1bnr s PHE 106 N -0.64 0.78 -0.17 9.09 0.40 -1.26 -3.49 117.98 122.69 1bnr s PHE 106 Ca -0.07 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.51 1bnr s PHE 106 Cb -0.04 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1bnr s PHE 106 CO 0.02 -0.55 0.20 0.99 0.70 0.00 0.00 175.22 176.59 1bnr s THR 107 N 1.94 5.37 -0.18 0.64 2.01 -0.58 -4.69 115.64 120.14 1bnr s THR 107 Ca 0.01 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1bnr s THR 107 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1bnr s THR 107 CO -0.08 0.44 1.02 -0.75 -0.69 0.00 0.00 174.62 174.57 1bnr s LYS 108 N 0.22 4.33 -0.08 4.92 2.20 -1.26 0.78 119.74 130.86 1bnr s LYS 108 Ca 0.12 1.37 0.11 0.00 -0.36 0.00 0.00 55.97 57.22 1bnr s LYS 108 Cb -0.12 -3.60 0.18 0.00 -1.51 0.00 0.00 37.83 32.78 1bnr s LYS 108 CO 0.01 -0.49 1.10 0.44 -0.36 0.00 0.00 175.35 176.05 1bnr n ILE 109 N 4.99 1.53 -0.69 5.43 -5.35 -0.83 -4.97 119.36 119.47 1bnr n ILE 109 Ca 0.11 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.85 1bnr n ILE 109 Cb 0.47 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33