#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 1.92 0.26 0.00 0.74 -1.26 -5.09 119.66 116.24 1bnr s GLN 2 Ca 0.00 -1.73 0.02 0.00 0.05 0.00 0.00 55.36 53.69 1bnr s GLN 2 Cb 0.00 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1bnr s GLN 2 CO 0.00 -0.94 0.15 1.33 -0.55 0.00 0.00 175.29 175.28 1bnr n VAL 3 N 4.49 0.00 -2.97 1.34 0.24 -1.26 -5.04 118.33 115.13 1bnr n VAL 3 Ca -0.03 -1.09 -0.44 0.00 -2.04 0.00 0.00 64.34 60.75 1bnr n VAL 3 Cb 0.42 -0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.46 5.04 -0.41 1.34 -1.09 -1.26 -4.77 121.20 118.59 1bnr s ILE 4 Ca 0.11 -2.47 0.11 0.00 -2.23 0.00 0.00 60.65 56.17 1bnr s ILE 4 Cb -0.01 -4.86 0.41 0.00 -1.58 0.00 0.00 42.46 36.42 1bnr s ILE 4 CO 0.07 -1.57 0.98 -0.46 -1.23 0.00 0.00 174.94 172.73 1bnr n ASN 5 N 5.64 2.97 -3.34 3.58 6.94 -1.26 -4.62 115.26 125.17 1bnr n ASN 5 Ca 0.33 -3.26 -0.16 0.00 -0.02 0.00 0.00 54.58 51.48 1bnr n ASN 5 Cb 0.44 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 1bnr n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bnr s THR 6 N -4.09 0.00 -0.07 5.53 -4.23 -1.26 -0.86 115.64 110.66 1bnr s THR 6 Ca 0.40 -1.72 -0.22 0.00 -1.18 0.00 0.00 61.69 58.96 1bnr s THR 6 Cb 0.40 -2.59 -0.18 0.00 1.34 0.00 0.00 72.50 71.47 1bnr s THR 6 CO -0.09 0.00 0.85 -0.26 -0.54 0.00 0.00 174.62 174.59 1bnr h PHE 7 N 2.14 -0.10 -0.17 3.99 0.04 -1.94 -1.59 116.94 119.31 1bnr h PHE 7 Ca -0.28 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.34 1bnr h PHE 7 Cb 1.24 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1bnr h PHE 7 CO 1.47 0.45 -0.54 -0.44 -0.60 0.00 0.00 178.31 178.65 1bnr h ASP 8 N -0.84 0.54 0.09 2.17 3.32 -1.97 -0.59 116.42 119.14 1bnr h ASP 8 Ca -0.01 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1bnr h ASP 8 Cb 0.60 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1bnr h ASP 8 CO 0.02 0.97 -0.05 1.23 -1.72 0.00 0.00 179.24 179.69 1bnr h GLY 9 N 1.14 -0.13 1.26 2.75 0.00 -1.97 -0.92 103.07 105.19 1bnr h GLY 9 Ca 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1bnr h GLY 9 CO 0.10 -0.05 -0.18 -2.08 0.00 0.00 0.00 176.54 174.33 1bnr h VAL 10 N -0.54 1.27 -0.86 4.60 2.07 -1.33 -1.59 116.25 119.86 1bnr h VAL 10 Ca -0.01 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1bnr h VAL 10 Cb 0.44 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1bnr h VAL 10 CO 0.02 0.44 0.50 0.00 0.02 0.00 0.00 177.57 178.56 1bnr h ALA 11 N 1.04 1.27 0.41 1.67 0.00 -1.09 0.18 119.26 122.74 1bnr h ALA 11 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bnr h ALA 11 Cb 0.70 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bnr h ALA 11 CO 0.05 0.62 -0.20 -0.44 0.00 0.00 0.00 179.25 179.28 1bnr h ASP 12 N 1.19 -0.46 0.05 0.00 5.19 -0.74 -1.47 116.42 120.17 1bnr h ASP 12 Ca 0.31 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1bnr h ASP 12 Cb -0.03 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 1bnr h ASP 12 CO -0.06 -0.17 -0.00 0.22 -3.12 0.00 0.00 179.24 176.11 1bnr h TYR 13 N -0.77 0.00 0.23 4.55 5.03 -1.01 0.30 116.97 125.30 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 0.53 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.81 1bnr h TYR 13 CO -0.00 0.00 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.66 1bnr h LEU 14 N 0.00 -0.26 0.00 2.82 3.38 -0.01 -0.78 115.31 120.45 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 0.03 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 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 -4.02 0.07 -0.02 1.13 10.64 -0.61 0.58 117.38 125.15 1bnr n GLN 15 Ca -0.04 0.20 -0.01 0.00 -1.83 0.00 0.00 57.00 55.32 1bnr n GLN 15 Cb 0.12 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.00 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 -0.01 -0.39 2.02 -0.40 -3.39 112.91 110.74 1bnr h THR 16 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1bnr h THR 16 Cb 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1bnr h THR 16 CO 0.00 0.00 -0.13 -1.22 0.37 0.00 0.00 175.52 174.54 1bnr n TYR 17 N -2.78 0.00 -3.65 3.16 4.01 -0.31 -4.94 117.16 112.65 1bnr n TYR 17 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 1bnr n TYR 17 Cb 0.05 -0.07 0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.33 -1.97 0.00 -0.72 8.25 0.19 -4.94 115.22 115.70 1bnr n HIS 18 Ca 0.16 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1bnr n HIS 18 Cb 0.34 -4.10 0.00 0.00 1.12 0.00 0.00 29.99 27.35 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 -4.12 0.00 -1.38 -0.41 2.85 -1.23 -5.04 118.16 108.83 1bnr n LYS 19 Ca -0.22 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.63 1bnr n LYS 19 Cb 0.65 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.04 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 -1.26 -4.39 -5.58 4.77 -1.26 -4.67 117.00 104.61 1bnr n LEU 20 Ca 0.00 0.81 -0.32 0.00 -0.03 0.00 0.00 56.01 56.46 1bnr n LEU 20 Cb 0.00 -1.02 0.14 0.00 -2.33 0.00 0.00 43.42 40.22 1bnr n LEU 20 CO 0.00 -3.59 -0.14 -2.65 -1.33 0.00 0.00 177.39 169.68 1bnr n PRO 21 N 0.83 -0.73 0.00 3.23 -0.02 -1.26 -4.81 135.00 132.23 1bnr n PRO 21 Ca 0.11 -0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.48 1bnr n PRO 21 Cb 0.42 -1.86 0.34 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.71 0.00 -0.87 2.55 8.00 -1.26 -1.61 116.55 121.64 1bnr n ASP 22 Ca 0.05 0.18 0.10 0.00 0.71 0.00 0.00 54.79 55.83 1bnr n ASP 22 Cb 0.56 -0.33 0.27 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.33 2.55 -4.34 -2.24 6.94 -1.26 -4.75 115.26 110.82 1bnr n ASN 23 Ca 0.06 -1.91 -0.45 0.00 -0.02 0.00 0.00 54.58 52.25 1bnr n ASN 23 Cb 0.12 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.25 1bnr n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bnr s TYR 24 N -1.50 3.12 -0.26 -2.53 1.51 -0.64 -1.37 117.35 115.69 1bnr s TYR 24 Ca 0.34 -1.13 -0.07 0.00 -1.01 0.00 0.00 57.07 55.21 1bnr s TYR 24 Cb 0.19 -3.92 -0.01 0.00 -0.11 0.00 0.00 41.96 38.10 1bnr s TYR 24 CO 0.26 -1.17 0.05 0.96 -1.11 0.00 0.00 175.55 174.54 1bnr s ILE 25 N 2.15 4.04 1.03 2.71 -4.36 0.16 -4.66 121.20 122.28 1bnr s ILE 25 Ca 0.08 -0.37 -0.22 0.00 -0.26 0.00 0.00 60.65 59.87 1bnr s ILE 25 Cb -0.27 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 1bnr s ILE 25 CO 0.04 0.28 -0.76 0.35 0.24 0.00 0.00 174.94 175.10 1bnr n THR 26 N 4.89 0.00 -0.10 8.37 -2.24 -1.25 -3.96 114.28 119.98 1bnr n THR 26 Ca -0.16 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1bnr n THR 26 Cb 0.50 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.59 0.52 -0.98 -0.78 1.57 -1.90 -2.32 116.57 111.10 1bnr h LYS 27 Ca -0.43 -0.15 0.13 0.00 -1.87 0.00 0.00 60.65 58.33 1bnr h LYS 27 Cb 1.29 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 1bnr h LYS 27 CO 0.27 0.64 0.62 0.77 -0.57 0.00 0.00 179.45 181.18 1bnr h SER 28 N 0.34 0.88 -1.01 0.86 0.02 -1.98 0.27 113.55 112.93 1bnr h SER 28 Ca 0.09 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1bnr h SER 28 Cb 0.38 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1bnr h SER 28 CO 0.01 0.45 0.66 -0.33 -1.14 0.00 0.00 176.83 176.49 1bnr h GLU 29 N 0.93 1.28 -0.25 3.45 5.08 -1.72 -0.24 114.58 123.12 1bnr h GLU 29 Ca 0.49 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.68 1bnr h GLU 29 Cb 0.55 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1bnr h GLU 29 CO -0.26 0.85 -0.24 0.00 -1.00 0.00 0.00 179.01 178.36 1bnr h ALA 30 N 1.39 1.11 -0.40 3.43 0.00 -0.10 -2.19 119.26 122.51 1bnr h ALA 30 Ca 0.38 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1bnr h ALA 30 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1bnr h ALA 30 CO -0.10 0.55 0.03 1.96 0.00 0.00 0.00 179.25 181.69 1bnr h GLN 31 N 0.42 0.62 -0.51 0.00 4.20 0.42 0.10 115.11 120.36 1bnr h GLN 31 Ca 0.06 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1bnr h GLN 31 Cb 0.66 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1bnr h GLN 31 CO 0.05 0.62 0.34 0.00 -0.67 0.00 0.00 178.83 179.17 1bnr h ALA 32 N 1.44 1.70 0.00 3.87 0.00 -0.54 0.09 119.26 125.83 1bnr h ALA 32 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1bnr h ALA 32 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bnr h ALA 32 CO 0.01 0.26 -0.10 -0.07 0.00 0.00 0.00 179.25 179.34 1bnr h LEU 33 N 0.63 0.00 0.00 0.00 4.07 -1.19 -3.46 115.31 115.36 1bnr h LEU 33 Ca 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1bnr h LEU 33 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1bnr h LEU 33 CO -0.05 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.94 1bnr n GLY 34 N 1.27 1.34 3.60 0.83 0.00 0.02 -4.94 105.19 107.31 1bnr n GLY 34 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.23 -0.27 1.61 -0.00 -0.08 -4.81 118.94 116.62 1bnr s TRP 35 Ca 0.00 0.05 -0.21 0.00 -0.00 0.00 0.00 56.10 55.94 1bnr s TRP 35 Cb 0.00 -2.27 -0.01 0.00 -0.00 0.00 0.00 33.47 31.19 1bnr s TRP 35 CO 0.00 -0.07 0.65 0.08 -0.00 0.00 0.00 176.95 177.61 1bnr s VAL 36 N 1.27 4.95 0.27 5.86 1.01 -1.26 -4.01 120.40 128.50 1bnr s VAL 36 Ca 0.06 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1bnr s VAL 36 Cb -0.14 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.34 1bnr s VAL 36 CO 0.06 -0.04 1.73 0.00 0.00 0.00 0.00 175.10 176.85 1bnr h ALA 37 N 7.97 1.09 -0.14 5.51 0.00 -1.96 0.54 119.26 132.28 1bnr h ALA 37 Ca -0.26 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1bnr h ALA 37 Cb 1.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1bnr h ALA 37 CO 0.79 0.56 -0.48 0.66 0.00 0.00 0.00 179.25 180.77 1bnr h SER 38 N 0.50 0.66 0.69 0.00 4.64 -2.05 -3.05 113.55 114.94 1bnr h SER 38 Ca 0.08 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1bnr h SER 38 Cb 0.62 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1bnr h SER 38 CO 0.04 1.16 -0.13 0.29 -0.87 0.00 0.00 176.83 177.32 1bnr n LYS 39 N -4.22 0.21 -2.98 4.77 5.02 -1.15 -4.99 118.16 114.82 1bnr n LYS 39 Ca -0.07 -0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 1bnr n LYS 39 Cb 0.59 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.42 -1.53 2.75 0.72 0.00 0.19 -4.96 105.19 103.79 1bnr n GLY 40 Ca 0.09 0.41 -0.03 0.00 0.00 0.00 0.00 46.02 46.49 1bnr n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnr n ASN 41 N 1.84 0.56 0.08 1.61 6.94 -1.22 -4.59 115.26 120.48 1bnr n ASN 41 Ca -0.08 -2.26 -0.13 0.00 -0.02 0.00 0.00 54.58 52.09 1bnr n ASN 41 Cb 0.26 -0.10 -0.08 0.00 -2.36 0.00 0.00 39.78 37.50 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 2.30 -0.16 -1.51 -4.53 5.85 -1.86 -2.11 115.31 113.29 1bnr h LEU 42 Ca -0.21 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1bnr h LEU 42 Cb 1.26 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1bnr h LEU 42 CO 0.15 0.17 0.20 0.00 -0.34 0.00 0.00 178.44 178.62 1bnr h ALA 43 N 0.29 1.16 0.00 1.25 0.00 -1.86 0.62 119.26 120.73 1bnr h ALA 43 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1bnr h ALA 43 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1bnr h ALA 43 CO 0.03 -0.16 -0.76 -0.44 0.00 0.00 0.00 179.25 177.93 1bnr h ASP 44 N 0.00 0.00 0.02 0.00 5.19 -1.79 -3.38 116.42 116.46 1bnr h ASP 44 Ca 0.00 -0.45 -0.35 0.00 -0.62 0.00 0.00 57.03 55.61 1bnr h ASP 44 Cb 0.40 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 1bnr h ASP 44 CO 0.00 1.16 -1.96 1.33 -3.12 0.00 0.00 179.24 176.65 1bnr n VAL 45 N -4.53 1.56 -3.72 -1.35 0.24 -0.87 -4.69 118.33 104.97 1bnr n VAL 45 Ca -0.20 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 61.49 1bnr n VAL 45 Cb 0.50 -1.88 -0.09 0.00 -1.47 0.00 0.00 33.84 30.90 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 -3.65 3.70 -1.36 2.33 0.00 0.21 -5.03 120.51 116.70 1bnr n ALA 46 Ca -0.42 -4.60 -0.34 0.00 0.00 0.00 0.00 53.44 48.08 1bnr n ALA 46 Cb 0.84 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.61 2.19 -1.05 0.00 0.04 -0.98 -3.61 135.00 129.97 1bnr s PRO 47 Ca 0.28 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 1bnr s PRO 47 Cb -0.03 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1bnr s PRO 47 CO -0.13 -1.79 0.68 0.41 0.04 0.00 0.00 177.00 176.21 1bnr n GLY 48 N 0.29 -1.04 2.77 0.56 0.00 -1.26 -4.95 105.19 101.56 1bnr n GLY 48 Ca 0.13 0.45 -0.25 0.00 0.00 0.00 0.00 46.02 46.35 1bnr n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnr s LYS 49 N -6.17 0.72 -0.13 1.61 -0.14 -1.24 -5.00 119.74 109.39 1bnr s LYS 49 Ca 0.31 -0.08 -0.20 0.00 -1.36 0.00 0.00 55.97 54.64 1bnr s LYS 49 Cb -0.16 -1.36 -0.04 0.00 -1.68 0.00 0.00 37.83 34.60 1bnr s LYS 49 CO 0.92 -0.39 0.57 -1.12 -0.76 0.00 0.00 175.35 174.56 1bnr s SER 50 N 1.91 6.74 -0.52 2.83 0.01 -0.47 -4.86 113.70 119.34 1bnr s SER 50 Ca 0.03 0.89 -0.21 0.00 1.31 0.00 0.00 55.95 57.98 1bnr s SER 50 Cb -0.14 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1bnr s SER 50 CO -0.06 -0.10 0.74 -0.63 0.41 0.00 0.00 173.24 173.60 1bnr s ILE 51 N 1.03 4.70 0.25 1.44 -1.09 -1.25 0.39 121.20 126.66 1bnr s ILE 51 Ca 0.29 -0.17 -0.14 0.00 -2.23 0.00 0.00 60.65 58.39 1bnr s ILE 51 Cb -0.16 -4.38 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1bnr s ILE 51 CO 0.12 -0.90 0.51 -0.83 -1.23 0.00 0.00 174.94 172.61 1bnr s GLY 52 N 2.70 0.39 0.00 6.18 0.00 -1.26 0.24 107.32 115.56 1bnr s GLY 52 Ca 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1bnr s GLY 52 CO 0.15 -0.52 0.00 0.61 0.00 0.00 0.00 173.10 173.34 1bnr n GLY 53 N -0.39 1.27 3.46 0.20 0.00 -0.60 -3.78 105.19 105.36 1bnr n GLY 53 Ca -0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.13 2.44 0.55 1.61 1.01 -1.21 -4.96 116.67 113.98 1bnr s ASP 54 Ca 0.00 -1.40 -0.19 0.00 0.71 0.00 0.00 52.55 51.66 1bnr s ASP 54 Cb 0.00 -0.04 -0.06 0.00 1.01 0.00 0.00 42.92 43.84 1bnr s ASP 54 CO 0.00 -0.63 1.12 -0.63 0.21 0.00 0.00 175.17 175.24 1bnr s ILE 55 N -3.28 3.23 0.06 0.77 -1.09 -1.26 -1.49 121.20 118.14 1bnr s ILE 55 Ca 0.35 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 1bnr s ILE 55 Cb 0.08 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1bnr s ILE 55 CO 0.15 -0.18 0.14 0.12 -1.23 0.00 0.00 174.94 173.94 1bnr s PHE 56 N -1.83 3.35 0.00 3.97 5.36 -0.06 -4.52 117.98 124.25 1bnr s PHE 56 Ca 0.72 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 1bnr s PHE 56 Cb -0.23 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1bnr s PHE 56 CO 0.27 0.56 0.00 0.43 -1.46 0.00 0.00 175.22 175.02 1bnr n SER 57 N 0.46 0.00 -1.01 6.13 7.64 -1.26 -4.66 113.62 120.92 1bnr n SER 57 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1bnr n SER 57 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 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 -4.55 -0.09 6.43 2.85 -1.26 -4.88 115.26 113.76 1bnr n ASN 58 Ca 0.00 0.31 -0.07 0.00 -0.11 0.00 0.00 54.58 54.71 1bnr n ASN 58 Cb 0.00 -3.22 0.00 0.00 1.24 0.00 0.00 39.78 37.80 1bnr n ASN 58 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1bnr h ARG 59 N 0.00 0.24 0.11 1.20 3.08 -2.03 -2.77 114.38 114.21 1bnr h ARG 59 Ca -0.27 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.49 1bnr h ARG 59 Cb 0.86 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1bnr h ARG 59 CO 0.39 0.16 -1.33 0.93 -1.07 0.00 0.00 179.97 179.05 1bnr h GLU 60 N 0.25 0.23 0.00 0.04 4.39 -2.02 -3.49 114.58 113.98 1bnr h GLU 60 Ca 0.14 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1bnr h GLU 60 Cb 0.10 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1bnr h GLU 60 CO -0.14 1.14 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 1bnr n GLY 61 N 1.56 0.72 0.42 -3.84 0.00 -1.05 -5.02 105.19 97.97 1bnr n GLY 61 Ca -0.11 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.27 1bnr n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bnr n LYS 62 N 0.00 1.08 -4.30 1.61 3.00 -1.26 -4.91 118.16 113.38 1bnr n LYS 62 Ca 0.00 -0.84 -0.27 0.00 -0.00 0.00 0.00 58.31 57.20 1bnr n LYS 62 Cb 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 35.03 33.45 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1bnr s LEU 63 N -2.49 2.90 -0.92 3.14 1.43 -1.26 -4.84 118.68 116.63 1bnr s LEU 63 Ca 0.20 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1bnr s LEU 63 Cb 0.18 -1.61 -0.16 0.00 0.03 0.00 0.00 46.19 44.63 1bnr s LEU 63 CO 0.56 0.12 2.25 -2.16 0.23 0.00 0.00 176.35 177.35 1bnr s PRO 64 N -2.71 1.57 0.29 1.29 0.04 -1.26 -4.83 135.00 129.39 1bnr s PRO 64 Ca 0.24 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.20 1bnr s PRO 64 Cb -0.09 -4.90 0.01 0.00 0.04 0.00 0.00 34.50 29.56 1bnr s PRO 64 CO 0.14 -4.72 0.54 0.20 0.04 0.00 0.00 177.00 173.20 1bnr s GLY 65 N 9.65 0.69 0.13 0.56 0.00 -1.26 -5.08 107.32 112.00 1bnr s GLY 65 Ca 0.86 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 44.62 1bnr s GLY 65 CO 0.11 -0.63 0.04 0.28 0.00 0.00 0.00 173.10 172.89 1bnr n LYS 66 N -0.45 0.97 -2.21 2.90 4.76 -1.26 -5.05 118.16 117.83 1bnr n LYS 66 Ca -0.02 -1.06 -0.42 0.00 -2.87 0.00 0.00 58.31 53.93 1bnr n LYS 66 Cb 0.61 0.52 -0.03 0.00 -1.84 0.00 0.00 35.03 34.30 1bnr n LYS 66 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1bnr s SER 67 N -1.78 6.85 0.00 4.39 1.04 -1.26 -2.33 113.70 120.62 1bnr s SER 67 Ca 0.05 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1bnr s SER 67 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1bnr s SER 67 CO 0.04 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1bnr n GLY 68 N 3.53 0.19 3.92 7.32 0.00 -1.26 -5.07 105.19 113.82 1bnr n GLY 68 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.97 3.49 0.06 1.61 3.52 -0.98 -5.11 118.95 120.56 1bnr s ARG 69 Ca 0.00 -0.38 0.07 0.00 -0.13 0.00 0.00 55.73 55.29 1bnr s ARG 69 Cb 0.00 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1bnr s ARG 69 CO 0.00 0.54 -0.20 0.99 -0.81 0.00 0.00 175.30 175.82 1bnr s THR 70 N -1.62 1.59 0.23 4.11 2.01 -1.26 -4.84 115.64 115.85 1bnr s THR 70 Ca 0.37 -1.29 0.09 0.00 0.31 0.00 0.00 61.69 61.16 1bnr s THR 70 Cb -0.12 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1bnr s THR 70 CO 0.28 0.08 -0.01 0.26 -0.69 0.00 0.00 174.62 174.53 1bnr s TRP 71 N -0.94 2.75 -0.03 4.92 0.52 -1.26 -4.51 118.94 120.39 1bnr s TRP 71 Ca 0.06 -0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.04 1bnr s TRP 71 Cb -0.09 -1.27 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 1bnr s TRP 71 CO 0.03 0.57 -0.17 1.03 0.02 0.00 0.00 176.95 178.43 1bnr s ARG 72 N -3.35 2.37 0.21 4.98 1.81 -0.47 -0.88 118.95 123.62 1bnr s ARG 72 Ca 0.29 -0.78 0.10 0.00 -1.72 0.00 0.00 55.73 53.62 1bnr s ARG 72 Cb -0.08 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.09 1bnr s ARG 72 CO 0.19 0.60 -0.11 -1.83 -0.68 0.00 0.00 175.30 173.47 1bnr s GLU 73 N -0.83 1.98 0.01 3.54 4.04 -0.56 -0.45 118.70 126.44 1bnr s GLU 73 Ca 0.12 -1.40 -0.04 0.00 0.04 0.00 0.00 54.97 53.69 1bnr s GLU 73 Cb -0.10 -2.06 -0.01 0.00 0.02 0.00 0.00 34.13 31.97 1bnr s GLU 73 CO 0.01 0.40 0.07 0.00 -1.84 0.00 0.00 175.26 173.90 1bnr s ALA 74 N -1.92 -0.13 0.35 -0.84 0.00 0.27 -1.56 121.76 117.93 1bnr s ALA 74 Ca 0.26 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 1bnr s ALA 74 Cb -0.08 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.09 1bnr s ALA 74 CO 0.15 -0.20 1.15 -0.51 0.00 0.00 0.00 175.76 176.35 1bnr s ASP 75 N -1.48 6.85 0.02 0.00 1.11 0.14 -1.28 116.67 122.03 1bnr s ASP 75 Ca -0.14 2.33 0.02 0.00 0.18 0.00 0.00 52.55 54.93 1bnr s ASP 75 Cb -0.08 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 1bnr s ASP 75 CO 0.00 -0.44 -0.06 -0.63 1.18 0.00 0.00 175.17 175.22 1bnr s ILE 76 N -1.32 0.40 -0.66 0.77 -1.09 -0.15 -4.74 121.20 114.41 1bnr s ILE 76 Ca 0.52 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1bnr s ILE 76 Cb -0.31 -0.42 0.00 0.00 -1.58 0.00 0.00 42.46 40.15 1bnr s ILE 76 CO 0.40 -0.17 0.00 0.59 -1.23 0.00 0.00 174.94 174.53 1bnr n ASN 77 N 2.20 -4.51 -4.63 3.58 4.13 -0.04 -4.19 115.26 111.80 1bnr n ASN 77 Ca -0.18 0.15 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 1bnr n ASN 77 Cb 0.57 -2.56 -0.03 0.00 -1.54 0.00 0.00 39.78 36.22 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 -1.98 2.09 0.00 3.10 6.14 -1.25 -4.83 117.35 120.62 1bnr s TYR 78 Ca 0.00 0.54 0.00 0.00 0.64 0.00 0.00 57.07 58.25 1bnr s TYR 78 Cb 0.00 -3.99 0.00 0.00 0.42 0.00 0.00 41.96 38.39 1bnr s TYR 78 CO 0.00 -2.94 0.00 2.41 0.64 0.00 0.00 175.55 175.66 1bnr n THR 79 N 6.45 0.00 -3.96 4.34 -1.04 -1.26 -4.92 114.28 113.89 1bnr n THR 79 Ca 0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.10 1bnr n THR 79 Cb 0.45 -0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 68.37 1bnr n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bnr s SER 80 N 0.76 -0.01 0.00 8.00 1.04 -1.26 -4.66 113.70 117.57 1bnr s SER 80 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1bnr s SER 80 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1bnr s SER 80 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1bnr n GLY 81 N -0.26 -2.57 3.18 7.32 0.00 -1.26 -4.90 105.19 106.70 1bnr n GLY 81 Ca -0.06 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.79 -2.27 -0.45 1.61 3.01 -1.26 -4.75 117.46 112.55 1bnr n PHE 82 Ca 0.00 0.25 -0.25 0.00 1.01 0.00 0.00 57.45 58.46 1bnr n PHE 82 Cb 0.00 -1.54 0.21 0.00 -0.01 0.00 0.00 39.48 38.14 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 0.17 -2.99 -1.52 -1.08 1.74 -1.26 -4.97 116.66 106.75 1bnr n ARG 83 Ca 0.01 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.21 1bnr n ARG 83 Cb 0.62 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 -3.04 1.55 -0.34 0.55 0.23 -1.26 -5.05 115.26 107.92 1bnr n ASN 84 Ca 0.07 -0.86 0.05 0.00 -0.53 0.00 0.00 54.58 53.31 1bnr n ASN 84 Cb 0.49 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.30 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bnr n SER 85 N -1.24 2.63 -4.62 0.53 3.41 -1.26 -4.97 113.62 108.10 1bnr n SER 85 Ca 0.00 -2.39 -0.35 0.00 -0.26 0.00 0.00 58.87 55.87 1bnr n SER 85 Cb 0.00 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnr s ASP 86 N -1.53 5.76 -0.05 4.04 1.11 -1.26 -0.53 116.67 124.21 1bnr s ASP 86 Ca 0.20 0.06 -0.08 0.00 0.18 0.00 0.00 52.55 52.91 1bnr s ASP 86 Cb 0.15 -2.01 0.01 0.00 1.07 0.00 0.00 42.92 42.14 1bnr s ASP 86 CO 0.06 0.11 0.19 -0.13 1.18 0.00 0.00 175.17 176.58 1bnr s ARG 87 N 0.78 0.33 -0.11 8.23 1.81 -0.56 -0.98 118.95 128.44 1bnr s ARG 87 Ca 0.05 0.06 -0.02 0.00 -1.72 0.00 0.00 55.73 54.11 1bnr s ARG 87 Cb -0.13 0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 1bnr s ARG 87 CO 0.02 -0.06 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.03 1bnr s ILE 88 N -0.39 3.84 -0.34 1.52 2.07 -0.40 -1.01 121.20 126.48 1bnr s ILE 88 Ca -0.05 -0.40 -0.09 0.00 -1.41 0.00 0.00 60.65 58.70 1bnr s ILE 88 Cb -0.03 -2.63 0.03 0.00 0.13 0.00 0.00 42.46 39.95 1bnr s ILE 88 CO 0.01 0.55 0.15 -0.76 -1.91 0.00 0.00 174.94 172.97 1bnr s LEU 89 N -0.22 4.39 -0.08 8.50 2.01 -0.10 -0.56 118.68 132.63 1bnr s LEU 89 Ca 0.04 -0.96 -0.04 0.00 0.01 0.00 0.00 54.13 53.18 1bnr s LEU 89 Cb -0.13 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 44.09 1bnr s LEU 89 CO 0.02 -0.32 0.12 -0.72 1.01 0.00 0.00 176.35 176.46 1bnr s TYR 90 N 1.50 3.48 0.46 0.29 1.13 0.41 -1.11 117.35 123.50 1bnr s TYR 90 Ca 0.01 0.40 0.07 0.00 -1.41 0.00 0.00 57.07 56.15 1bnr s TYR 90 Cb -0.19 -1.87 0.00 0.00 -1.10 0.00 0.00 41.96 38.81 1bnr s TYR 90 CO 0.05 0.65 0.43 0.45 -2.51 0.00 0.00 175.55 174.62 1bnr s SER 91 N -1.28 5.00 0.55 -0.18 0.15 0.01 -1.37 113.70 116.58 1bnr s SER 91 Ca 0.18 -0.83 0.33 0.00 0.70 0.00 0.00 55.95 56.33 1bnr s SER 91 Cb -0.12 -0.31 1.57 0.00 -1.71 0.00 0.00 66.02 65.45 1bnr s SER 91 CO 0.08 -0.81 2.08 0.77 1.20 0.00 0.00 173.24 176.55 1bnr h SER 92 N 0.88 0.00 -0.30 5.45 4.64 -1.91 -0.52 113.55 121.77 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 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1bnr n ASP 93 N -3.29 2.76 -1.36 4.97 5.75 -1.26 -4.85 116.55 119.27 1bnr n ASP 93 Ca -0.01 -2.28 -0.12 0.00 -0.01 0.00 0.00 54.79 52.36 1bnr n ASP 93 Cb 0.25 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.87 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 0.39 -0.51 -2.86 2.11 5.03 -0.21 -4.96 117.44 116.43 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 0.55 -2.71 -0.04 0.00 -1.03 0.00 0.00 31.31 28.08 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 -3.49 4.05 -0.23 -0.99 1.43 -1.25 -4.78 118.68 113.43 1bnr s LEU 95 Ca 0.00 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 1bnr s LEU 95 Cb 0.00 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 1bnr s LEU 95 CO 0.00 -0.91 0.14 -0.63 0.23 0.00 0.00 176.35 175.19 1bnr s ILE 96 N 3.48 5.23 0.24 -0.59 1.01 -1.22 -0.81 121.20 128.53 1bnr s ILE 96 Ca 0.35 0.14 0.10 0.00 0.00 0.00 0.00 60.65 61.24 1bnr s ILE 96 Cb -0.12 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1bnr s ILE 96 CO 0.22 0.36 -0.18 -0.31 0.00 0.00 0.00 174.94 175.03 1bnr s TYR 97 N 0.99 2.03 0.01 3.97 1.51 -0.27 -1.60 117.35 124.00 1bnr s TYR 97 Ca 0.07 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1bnr s TYR 97 Cb -0.13 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1bnr s TYR 97 CO 0.04 0.54 -0.12 -1.59 -1.11 0.00 0.00 175.55 173.31 1bnr s LYS 98 N -3.44 0.89 -0.07 -0.62 -2.85 -0.24 -0.92 119.74 112.49 1bnr s LYS 98 Ca 0.25 -0.52 0.01 0.00 -1.00 0.00 0.00 55.97 54.72 1bnr s LYS 98 Cb -0.04 -0.86 0.02 0.00 -2.06 0.00 0.00 37.83 34.89 1bnr s LYS 98 CO 0.11 0.23 -0.09 -0.08 0.10 0.00 0.00 175.35 175.61 1bnr s THR 99 N -0.49 0.98 -1.11 3.79 -1.32 -0.18 -1.38 115.64 115.94 1bnr s THR 99 Ca 0.03 -0.36 0.16 0.00 -1.21 0.00 0.00 61.69 60.31 1bnr s THR 99 Cb -0.06 -0.94 0.50 0.00 -1.51 0.00 0.00 72.50 70.50 1bnr s THR 99 CO 0.00 0.33 1.42 0.35 -2.21 0.00 0.00 174.62 174.52 1bnr n THR 100 N 4.13 1.35 -1.87 5.08 -2.24 -1.26 -1.50 114.28 117.97 1bnr n THR 100 Ca -0.21 -1.16 0.04 0.00 -2.27 0.00 0.00 64.05 60.46 1bnr n THR 100 Cb 0.51 0.32 0.07 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.77 1.09 -1.76 3.42 8.00 -1.17 -4.65 116.55 122.25 1bnr n ASP 101 Ca 0.19 -2.58 -0.01 0.00 0.71 0.00 0.00 54.79 53.11 1bnr n ASP 101 Cb 0.63 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1bnr n HIS 102 N -0.37 -0.58 -3.56 1.24 -0.00 0.31 -4.40 115.22 107.87 1bnr n HIS 102 Ca 0.08 0.23 -0.26 0.00 0.46 0.00 0.00 57.72 58.23 1bnr n HIS 102 Cb 0.81 -1.97 0.05 0.00 -0.12 0.00 0.00 29.99 28.76 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 -0.78 -2.09 0.00 1.57 4.01 -1.26 -4.91 117.16 113.70 1bnr n TYR 103 Ca 0.01 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.34 1bnr n TYR 103 Cb 0.28 -3.59 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 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 -3.79 0.00 -2.92 -0.72 1.13 -1.26 -4.98 117.38 104.84 1bnr n GLN 104 Ca -0.09 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.53 1bnr n GLN 104 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.92 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 -0.87 4.65 -0.45 5.09 -4.23 -1.26 -4.99 115.64 113.59 1bnr s THR 105 Ca 0.00 -1.29 -0.22 0.00 -1.18 0.00 0.00 61.69 58.99 1bnr s THR 105 Cb 0.00 -4.75 0.02 0.00 1.34 0.00 0.00 72.50 69.12 1bnr s THR 105 CO 0.00 -1.48 0.74 -0.36 -0.54 0.00 0.00 174.62 172.98 1bnr s PHE 106 N 2.98 3.02 -0.11 3.99 0.08 -1.25 -3.78 117.98 122.91 1bnr s PHE 106 Ca 0.29 0.10 -0.05 0.00 0.12 0.00 0.00 56.93 57.40 1bnr s PHE 106 Cb -0.08 -3.57 -0.04 0.00 -0.57 0.00 0.00 43.02 38.76 1bnr s PHE 106 CO -0.05 -0.95 0.08 0.99 -0.10 0.00 0.00 175.22 175.20 1bnr s THR 107 N 3.15 5.02 -0.14 0.64 2.01 -0.48 -4.79 115.64 121.04 1bnr s THR 107 Ca 0.28 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.05 1bnr s THR 107 Cb -0.13 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 1bnr s THR 107 CO 0.21 0.61 0.79 -0.75 -0.69 0.00 0.00 174.62 174.80 1bnr s LYS 108 N -0.95 4.33 0.00 4.92 2.20 -1.26 -1.08 119.74 127.89 1bnr s LYS 108 Ca 0.14 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1bnr s LYS 108 Cb -0.12 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1bnr s LYS 108 CO 0.03 -0.23 0.00 0.44 -0.36 0.00 0.00 175.35 175.23 1bnr n ILE 109 N 4.51 0.00 -1.55 5.43 -5.35 -0.63 -5.00 119.36 116.77 1bnr n ILE 109 Ca 0.03 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1bnr n ILE 109 Cb 0.49 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33