#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr n GLN 2 N 0.00 0.81 -4.43 0.00 10.64 -1.26 -5.13 117.38 118.02 1bnr n GLN 2 Ca 0.00 -2.38 -0.22 0.00 -1.83 0.00 0.00 57.00 52.57 1bnr n GLN 2 Cb 0.00 -1.35 -0.10 0.00 -0.86 0.00 0.00 30.24 27.93 1bnr n GLN 2 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1bnr s VAL 3 N -0.25 2.15 -0.81 -0.39 -7.23 -1.26 -5.08 120.40 107.53 1bnr s VAL 3 Ca 0.32 -2.31 -0.19 0.00 -1.81 0.00 0.00 61.98 57.99 1bnr s VAL 3 Cb 0.23 -2.23 0.12 0.00 0.56 0.00 0.00 36.38 35.07 1bnr s VAL 3 CO -0.16 -0.46 0.98 -0.63 -0.31 0.00 0.00 175.10 174.52 1bnr s ILE 4 N -2.71 4.77 -0.34 -0.62 -1.09 -1.26 -4.81 121.20 115.13 1bnr s ILE 4 Ca 0.27 -1.34 0.15 0.00 -2.23 0.00 0.00 60.65 57.50 1bnr s ILE 4 Cb -0.03 -4.68 0.42 0.00 -1.58 0.00 0.00 42.46 36.60 1bnr s ILE 4 CO 0.12 -1.38 0.90 -0.46 -1.23 0.00 0.00 174.94 172.89 1bnr n ASN 5 N 6.45 1.03 -1.82 3.58 6.94 -1.26 -4.74 115.26 125.44 1bnr n ASN 5 Ca 0.12 -2.81 -0.06 0.00 -0.02 0.00 0.00 54.58 51.80 1bnr n ASN 5 Cb 0.47 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.03 0.00 -0.04 5.53 -2.24 -1.26 -1.36 114.28 114.94 1bnr n THR 6 Ca 0.13 -0.69 -0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1bnr n THR 6 Cb 0.77 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.27 0.00 -0.03 4.78 0.04 -1.96 -2.66 116.94 118.37 1bnr h PHE 7 Ca -0.08 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1bnr h PHE 7 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1bnr h PHE 7 CO 0.00 0.00 -0.52 -0.44 -0.60 0.00 0.00 178.31 176.75 1bnr h ASP 8 N -0.80 0.10 0.02 2.17 5.19 -1.98 -1.40 116.42 119.71 1bnr h ASP 8 Ca 0.00 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1bnr h ASP 8 Cb 0.01 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1bnr h ASP 8 CO 0.00 0.60 -0.01 1.23 -3.12 0.00 0.00 179.24 177.95 1bnr h GLY 9 N 1.49 -0.02 0.86 2.75 0.00 -1.97 -0.35 103.07 105.84 1bnr h GLY 9 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1bnr h GLY 9 CO 0.07 -0.01 0.01 -2.08 0.00 0.00 0.00 176.54 174.54 1bnr h VAL 10 N -0.39 1.25 -0.72 4.60 2.07 -1.46 -1.55 116.25 120.04 1bnr h VAL 10 Ca -0.00 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.72 1bnr h VAL 10 Cb 0.38 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1bnr h VAL 10 CO 0.00 0.28 0.48 0.00 0.02 0.00 0.00 177.57 178.35 1bnr h ALA 11 N 0.83 1.77 0.45 1.67 0.00 -1.25 0.68 119.26 123.41 1bnr h ALA 11 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bnr h ALA 11 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bnr h ALA 11 CO 0.01 0.09 -0.22 -0.44 0.00 0.00 0.00 179.25 178.70 1bnr h ASP 12 N 0.69 -0.51 -0.04 0.00 5.19 -0.52 -1.49 116.42 119.73 1bnr h ASP 12 Ca 0.32 -0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1bnr h ASP 12 Cb 0.36 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1bnr h ASP 12 CO -0.11 -0.20 0.08 0.22 -3.12 0.00 0.00 179.24 176.10 1bnr h TYR 13 N -0.83 0.00 0.25 4.55 5.03 -0.64 0.42 116.97 125.76 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 0.00 0.00 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.65 1bnr h LEU 14 N 0.00 -0.29 0.00 2.82 3.38 -0.29 -0.63 115.31 120.30 1bnr h LEU 14 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1bnr h LEU 14 Cb 0.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bnr h LEU 14 CO -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1bnr n GLN 15 N -3.94 0.27 -0.00 1.13 6.02 -0.62 0.44 117.38 120.69 1bnr n GLN 15 Ca -0.04 0.11 -0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1bnr n GLN 15 Cb 0.13 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.25 0.01 1.26 5.09 -1.04 0.15 -4.54 114.28 113.95 1bnr n THR 16 Ca 0.08 0.50 0.13 0.00 -2.04 0.00 0.00 64.05 62.72 1bnr n THR 16 Cb 0.12 -1.50 0.40 0.00 -1.82 0.00 0.00 70.33 67.53 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 -2.31 0.00 -3.40 -1.42 4.01 -0.25 -4.96 117.16 108.84 1bnr n TYR 17 Ca -0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1bnr n TYR 17 Cb 0.00 -0.12 0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.65 -2.28 0.00 -0.72 8.25 0.17 -4.97 115.22 115.03 1bnr n HIS 18 Ca 0.13 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1bnr n HIS 18 Cb 0.34 -4.14 0.00 0.00 1.12 0.00 0.00 29.99 27.31 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 -3.62 0.00 -1.37 -0.41 2.85 -1.23 -5.05 118.16 109.32 1bnr n LYS 19 Ca -0.12 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.74 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 -1.38 -4.44 -5.58 4.77 -1.26 -4.63 117.00 104.48 1bnr n LEU 20 Ca 0.00 0.77 -0.31 0.00 -0.03 0.00 0.00 56.01 56.44 1bnr n LEU 20 Cb 0.00 -1.01 0.17 0.00 -2.33 0.00 0.00 43.42 40.25 1bnr n LEU 20 CO 0.00 -3.72 0.06 -2.65 -1.33 0.00 0.00 177.39 169.75 1bnr n PRO 21 N 0.82 -1.14 0.00 3.23 -0.02 -1.26 -4.82 135.00 131.81 1bnr n PRO 21 Ca 0.10 -0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.37 1bnr n PRO 21 Cb 0.44 -1.98 0.41 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.75 0.00 -0.83 2.55 -0.08 -1.26 -1.91 116.55 112.27 1bnr n ASP 22 Ca 0.05 0.06 0.07 0.00 -1.51 0.00 0.00 54.79 53.47 1bnr n ASP 22 Cb 0.56 -0.29 0.21 0.00 2.34 0.00 0.00 41.12 43.93 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 -1.29 2.41 -4.19 1.67 0.23 -1.26 -4.72 115.26 108.11 1bnr n ASN 23 Ca 0.08 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.58 51.74 1bnr n ASN 23 Cb 0.13 -0.30 -0.09 0.00 -2.08 0.00 0.00 39.78 37.44 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 -1.41 3.46 -0.21 -2.53 2.02 -0.80 -0.06 117.35 117.82 1bnr s TYR 24 Ca 0.30 -2.00 -0.06 0.00 -0.37 0.00 0.00 57.07 54.94 1bnr s TYR 24 Cb 0.16 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.24 1bnr s TYR 24 CO 0.21 -0.99 0.04 0.96 -1.57 0.00 0.00 175.55 174.20 1bnr s ILE 25 N 1.29 4.29 0.94 2.71 -4.36 0.18 -4.54 121.20 121.70 1bnr s ILE 25 Ca 0.06 -0.19 -0.14 0.00 -0.26 0.00 0.00 60.65 60.12 1bnr s ILE 25 Cb -0.25 -2.96 0.07 0.00 1.25 0.00 0.00 42.46 40.57 1bnr s ILE 25 CO -0.02 0.40 -0.08 0.35 0.24 0.00 0.00 174.94 175.84 1bnr n THR 26 N 4.30 0.00 -0.07 8.37 -2.24 -1.15 -3.47 114.28 120.03 1bnr n THR 26 Ca -0.17 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1bnr n THR 26 Cb 0.52 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.21 0.49 -1.00 -0.78 1.57 -1.91 -2.77 116.57 109.95 1bnr h LYS 27 Ca -0.27 -0.27 0.12 0.00 -1.87 0.00 0.00 60.65 58.36 1bnr h LYS 27 Cb 0.83 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.07 1bnr h LYS 27 CO 0.17 0.86 0.63 0.77 -0.57 0.00 0.00 179.45 181.31 1bnr h SER 28 N 0.15 0.92 -0.99 0.86 0.02 -1.99 0.28 113.55 112.80 1bnr h SER 28 Ca 0.03 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1bnr h SER 28 Cb 0.78 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 1bnr h SER 28 CO 0.05 0.48 0.65 -0.33 -1.14 0.00 0.00 176.83 176.54 1bnr h GLU 29 N 0.98 1.21 -0.25 3.45 4.39 -1.81 0.16 114.58 122.71 1bnr h GLU 29 Ca 0.50 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 60.03 1bnr h GLU 29 Cb 0.51 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1bnr h GLU 29 CO -0.27 0.80 -0.25 0.00 -1.16 0.00 0.00 179.01 178.14 1bnr h ALA 30 N 1.43 1.11 -0.05 3.43 0.00 -0.24 -1.80 119.26 123.13 1bnr h ALA 30 Ca 0.39 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1bnr h ALA 30 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1bnr h ALA 30 CO -0.12 0.55 -0.27 1.96 0.00 0.00 0.00 179.25 181.37 1bnr h GLN 31 N 0.42 0.08 -0.73 0.00 4.20 0.40 -2.08 115.11 117.40 1bnr h GLN 31 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1bnr h GLN 31 Cb 0.66 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1bnr h GLN 31 CO 0.05 0.35 0.40 0.00 -0.67 0.00 0.00 178.83 178.97 1bnr h ALA 32 N 1.65 1.34 -0.00 3.87 0.00 -0.22 -0.60 119.26 125.31 1bnr h ALA 32 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bnr h ALA 32 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bnr h ALA 32 CO 0.04 0.55 -0.04 1.28 0.00 0.00 0.00 179.25 181.07 1bnr n LEU 33 N -4.36 0.06 0.00 0.00 4.32 -0.83 -4.90 117.00 111.29 1bnr n LEU 33 Ca 0.07 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 1bnr n LEU 33 Cb 0.09 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 1bnr n LEU 33 CO 0.38 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1bnr n GLY 34 N 1.42 0.82 3.31 -0.72 0.00 -0.23 -4.94 105.19 104.84 1bnr n GLY 34 Ca 0.10 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.70 2.51 -0.07 1.61 -0.00 -0.89 -4.73 118.94 115.67 1bnr s TRP 35 Ca 0.00 -0.63 -0.20 0.00 -0.00 0.00 0.00 56.10 55.27 1bnr s TRP 35 Cb 0.00 -1.63 -0.04 0.00 -0.00 0.00 0.00 33.47 31.80 1bnr s TRP 35 CO 0.00 -0.16 0.56 0.08 -0.00 0.00 0.00 176.95 177.43 1bnr s VAL 36 N -0.19 5.07 -1.20 5.86 1.01 -1.26 -4.46 120.40 125.23 1bnr s VAL 36 Ca -0.02 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.16 1bnr s VAL 36 Cb -0.13 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1bnr s VAL 36 CO 0.03 0.34 1.07 0.00 0.00 0.00 0.00 175.10 176.54 1bnr n ALA 37 N 3.38 1.30 0.27 5.51 0.00 -1.26 -2.25 120.51 127.46 1bnr n ALA 37 Ca -0.06 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1bnr n ALA 37 Cb 0.51 -1.07 0.74 0.00 0.00 0.00 0.00 19.45 19.63 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 -4.79 0.00 0.87 -2.04 -3.45 113.55 104.14 1bnr h SER 38 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 1bnr h SER 38 Cb 0.06 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.15 1bnr h SER 38 CO 0.00 0.00 -0.58 0.29 -0.53 0.00 0.00 176.83 176.01 1bnr n LYS 39 N -2.62 -5.38 0.00 2.24 5.02 -0.95 -4.87 118.16 111.61 1bnr n LYS 39 Ca -0.02 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1bnr n LYS 39 Cb 0.25 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 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 -1.24 0.72 1.11 0.72 0.00 -1.26 -2.28 105.19 102.95 1bnr n GLY 40 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.73 0.22 0.07 1.61 2.04 -1.26 -4.62 115.26 112.58 1bnr n ASN 41 Ca 0.00 -1.91 -0.06 0.00 -0.44 0.00 0.00 54.58 52.17 1bnr n ASN 41 Cb 0.00 -0.10 -0.03 0.00 -2.53 0.00 0.00 39.78 37.12 1bnr n ASN 41 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bnr h LEU 42 N 0.48 -0.52 -1.03 -4.53 5.85 -1.86 0.81 115.31 114.50 1bnr h LEU 42 Ca -0.26 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1bnr h LEU 42 Cb 1.60 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1bnr h LEU 42 CO -0.03 -0.21 0.19 0.00 -0.34 0.00 0.00 178.44 178.05 1bnr n ALA 43 N -2.53 0.77 0.10 1.25 0.00 -1.26 -0.16 120.51 118.67 1bnr n ALA 43 Ca -0.04 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 1bnr n ALA 43 Cb 0.15 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 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 0.58 -0.02 0.00 3.58 -1.23 -2.81 116.42 116.51 1bnr h ASP 44 Ca 0.00 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1bnr h ASP 44 Cb 0.38 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1bnr h ASP 44 CO 0.00 1.42 -0.12 1.33 -2.88 0.00 0.00 179.24 178.99 1bnr n VAL 45 N -3.64 0.00 -2.95 2.25 0.24 0.03 -4.63 118.33 109.62 1bnr n VAL 45 Ca -0.10 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.62 1bnr n VAL 45 Cb 0.99 1.30 0.02 0.00 -1.47 0.00 0.00 33.84 34.69 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 0.61 0.52 -1.40 2.33 0.00 0.77 -4.77 120.51 118.57 1bnr n ALA 46 Ca 0.09 -2.38 -0.35 0.00 0.00 0.00 0.00 53.44 50.79 1bnr n ALA 46 Cb 0.40 -1.06 0.09 0.00 0.00 0.00 0.00 19.45 18.89 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 0.65 0.60 -3.53 0.00 -0.02 -1.06 -3.60 135.00 128.04 1bnr n PRO 47 Ca 0.15 0.27 -0.19 0.00 -2.02 0.00 0.00 63.50 61.70 1bnr n PRO 47 Cb 0.65 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.89 -1.18 3.29 -1.23 0.00 -1.26 -5.00 105.19 100.71 1bnr n GLY 48 Ca 0.14 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.70 0.87 -0.06 1.61 -0.14 -1.24 -5.00 119.74 111.10 1bnr s LYS 49 Ca 0.17 -0.41 -0.00 0.00 -1.36 0.00 0.00 55.97 54.36 1bnr s LYS 49 Cb -0.06 0.39 0.03 0.00 -1.68 0.00 0.00 37.83 36.50 1bnr s LYS 49 CO 0.84 -0.29 -0.02 -1.12 -0.76 0.00 0.00 175.35 174.00 1bnr s SER 50 N -2.00 1.20 -0.54 2.83 0.01 0.91 -4.96 113.70 111.13 1bnr s SER 50 Ca -0.05 -0.09 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 1bnr s SER 50 Cb -0.01 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.81 1bnr s SER 50 CO -0.03 -0.13 1.51 -0.63 0.41 0.00 0.00 173.24 174.38 1bnr s ILE 51 N 1.45 3.70 0.29 1.44 -1.09 -1.25 0.47 121.20 126.21 1bnr s ILE 51 Ca -0.03 0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 58.88 1bnr s ILE 51 Cb -0.13 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1bnr s ILE 51 CO -0.03 -1.06 0.50 -0.83 -1.23 0.00 0.00 174.94 172.30 1bnr s GLY 52 N 5.05 0.80 0.00 6.18 0.00 -1.23 0.51 107.32 118.64 1bnr s GLY 52 Ca 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1bnr s GLY 52 CO 0.25 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.25 1bnr n GLY 53 N -0.45 0.55 3.91 0.20 0.00 -0.12 -2.92 105.19 106.37 1bnr n GLY 53 Ca -0.01 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.42 6.44 0.53 1.61 1.01 -1.15 -4.88 116.67 117.81 1bnr s ASP 54 Ca 0.00 0.64 -0.20 0.00 0.71 0.00 0.00 52.55 53.70 1bnr s ASP 54 Cb 0.00 -2.11 -0.06 0.00 1.01 0.00 0.00 42.92 41.76 1bnr s ASP 54 CO 0.00 -0.14 1.13 -0.63 0.21 0.00 0.00 175.17 175.73 1bnr s ILE 55 N -2.01 3.20 -0.52 0.77 -1.09 -1.26 -1.26 121.20 119.03 1bnr s ILE 55 Ca 0.43 0.76 0.03 0.00 -2.23 0.00 0.00 60.65 59.63 1bnr s ILE 55 Cb -0.11 -3.31 0.13 0.00 -1.58 0.00 0.00 42.46 37.59 1bnr s ILE 55 CO 0.29 -0.15 0.27 0.12 -1.23 0.00 0.00 174.94 174.24 1bnr s PHE 56 N -1.76 3.29 -1.47 3.97 5.36 -0.32 -4.68 117.98 122.37 1bnr s PHE 56 Ca 0.72 -3.07 0.15 0.00 -0.96 0.00 0.00 56.93 53.76 1bnr s PHE 56 Cb -0.24 -2.90 0.75 0.00 -0.34 0.00 0.00 43.02 40.29 1bnr s PHE 56 CO 0.27 -0.78 1.40 0.43 -1.46 0.00 0.00 175.22 175.07 1bnr n SER 57 N 3.31 0.00 -2.07 6.13 7.64 -1.26 -3.43 113.62 123.94 1bnr n SER 57 Ca 0.05 0.04 -0.00 0.00 1.01 0.00 0.00 58.87 59.97 1bnr n SER 57 Cb 0.34 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.27 -4.81 0.33 6.43 2.85 -1.26 -4.83 115.26 112.71 1bnr n ASN 58 Ca 0.07 0.64 0.21 0.00 -0.11 0.00 0.00 54.58 55.39 1bnr n ASN 58 Cb 0.11 -3.03 1.14 0.00 1.24 0.00 0.00 39.78 39.25 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 1.38 0.00 0.00 1.20 2.47 -1.92 -3.32 114.38 114.19 1bnr h ARG 59 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bnr h ARG 59 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1bnr h ARG 59 CO 0.05 0.00 -0.62 0.39 0.56 0.00 0.00 179.97 180.35 1bnr n GLU 60 N -3.20 0.00 0.00 0.04 -0.58 -1.26 -5.10 120.64 110.54 1bnr n GLU 60 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1bnr n GLU 60 Cb 0.09 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.59 1bnr n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bnr n GLY 61 N 2.65 0.70 0.00 0.62 0.00 -1.25 -5.05 105.19 102.86 1bnr n GLY 61 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.60 -3.33 1.61 4.76 -1.26 -5.02 118.16 114.31 1bnr n LYS 62 Ca 0.00 -0.46 -0.35 0.00 -2.87 0.00 0.00 58.31 54.62 1bnr n LYS 62 Cb 0.00 -0.96 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bnr s LEU 63 N -0.09 4.33 0.81 -0.35 1.43 -1.26 -4.96 118.68 118.60 1bnr s LEU 63 Ca 0.00 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 1bnr s LEU 63 Cb 0.00 -3.32 0.09 0.00 0.03 0.00 0.00 46.19 42.99 1bnr s LEU 63 CO 0.00 0.09 1.20 -2.16 0.23 0.00 0.00 176.35 175.71 1bnr s PRO 64 N -2.00 1.59 0.00 1.29 0.04 -1.26 -4.92 135.00 129.74 1bnr s PRO 64 Ca 0.39 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1bnr s PRO 64 Cb -0.15 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1bnr s PRO 64 CO 0.19 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1bnr n GLY 65 N 0.48 0.96 3.61 0.56 0.00 -1.26 -5.07 105.19 104.46 1bnr n GLY 65 Ca 0.13 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.52 2.16 0.02 1.61 1.02 -1.26 -5.02 119.74 116.76 1bnr s LYS 66 Ca 0.00 -1.43 -0.36 0.00 0.02 0.00 0.00 55.97 54.21 1bnr s LYS 66 Cb 0.00 -2.11 -0.15 0.00 -0.52 0.00 0.00 37.83 35.05 1bnr s LYS 66 CO 0.00 0.38 1.60 -1.13 -0.92 0.00 0.00 175.35 175.27 1bnr n SER 67 N -0.65 2.64 0.00 2.83 3.41 -1.26 -0.73 113.62 119.86 1bnr n SER 67 Ca -0.07 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1bnr n SER 67 Cb 0.58 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1bnr n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnr n GLY 68 N 3.48 0.86 3.74 5.00 0.00 -1.26 -5.06 105.19 111.95 1bnr n GLY 68 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.81 4.35 0.18 1.61 3.52 0.09 -5.06 118.95 122.84 1bnr s ARG 69 Ca 0.00 0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 56.17 1bnr s ARG 69 Cb 0.00 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 29.92 1bnr s ARG 69 CO 0.00 0.23 0.53 0.99 -0.81 0.00 0.00 175.30 176.24 1bnr s THR 70 N 0.32 4.92 0.42 4.11 2.01 -1.26 -4.94 115.64 121.21 1bnr s THR 70 Ca 0.31 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.96 1bnr s THR 70 Cb -0.17 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1bnr s THR 70 CO 0.15 0.08 0.03 0.26 -0.69 0.00 0.00 174.62 174.46 1bnr s TRP 71 N -1.64 2.12 0.10 4.92 0.52 -1.22 -4.64 118.94 119.10 1bnr s TRP 71 Ca 0.42 -0.89 0.10 0.00 0.02 0.00 0.00 56.10 55.75 1bnr s TRP 71 Cb -0.13 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1bnr s TRP 71 CO 0.20 0.20 -0.25 1.03 0.02 0.00 0.00 176.95 178.15 1bnr s ARG 72 N -3.80 1.39 0.12 4.98 1.81 0.05 -1.17 118.95 122.32 1bnr s ARG 72 Ca 0.25 -1.24 0.06 0.00 -1.72 0.00 0.00 55.73 53.08 1bnr s ARG 72 Cb 0.06 -1.76 -0.04 0.00 -0.45 0.00 0.00 34.95 32.77 1bnr s ARG 72 CO 0.13 0.42 -0.15 -1.83 -0.68 0.00 0.00 175.30 173.19 1bnr s GLU 73 N -1.84 1.03 0.00 3.54 -1.05 -0.39 -0.84 118.70 119.14 1bnr s GLU 73 Ca 0.11 -1.22 -0.05 0.00 -0.15 0.00 0.00 54.97 53.67 1bnr s GLU 73 Cb -0.10 -0.97 -0.00 0.00 -0.44 0.00 0.00 34.13 32.62 1bnr s GLU 73 CO 0.05 0.19 0.08 0.00 0.95 0.00 0.00 175.26 176.53 1bnr s ALA 74 N -1.96 -0.18 -0.11 -0.84 0.00 0.31 -0.94 121.76 118.05 1bnr s ALA 74 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1bnr s ALA 74 Cb -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1bnr s ALA 74 CO 0.03 -0.17 1.13 -0.51 0.00 0.00 0.00 175.76 176.23 1bnr s ASP 75 N -1.24 7.11 -0.07 0.00 1.11 0.18 -1.07 116.67 122.69 1bnr s ASP 75 Ca -0.13 1.66 0.01 0.00 0.18 0.00 0.00 52.55 54.26 1bnr s ASP 75 Cb -0.08 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1bnr s ASP 75 CO 0.01 -0.57 -0.08 -0.63 1.18 0.00 0.00 175.17 175.08 1bnr s ILE 76 N 2.41 3.63 0.07 0.77 -1.09 -0.43 -4.75 121.20 121.81 1bnr s ILE 76 Ca 0.52 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1bnr s ILE 76 Cb -0.21 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1bnr s ILE 76 CO 0.18 0.59 0.00 0.59 -1.23 0.00 0.00 174.94 175.07 1bnr n ASN 77 N 2.38 -9.00 -3.64 3.58 4.13 -0.46 -4.38 115.26 107.86 1bnr n ASN 77 Ca -0.18 1.63 -0.04 0.00 1.68 0.00 0.00 54.58 57.67 1bnr n ASN 77 Cb 0.53 -4.94 -0.07 0.00 -1.54 0.00 0.00 39.78 33.76 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 -0.54 -0.46 0.00 3.10 6.14 -1.26 -4.80 117.35 119.53 1bnr s TYR 78 Ca 0.00 0.98 0.00 0.00 0.64 0.00 0.00 57.07 58.69 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 -0.22 0.00 0.25 0.64 0.00 0.00 175.55 176.22 1bnr n THR 79 N 3.01 0.00 -3.88 4.34 -2.24 -1.26 -5.03 114.28 109.22 1bnr n THR 79 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1bnr n THR 79 Cb 0.57 0.00 -0.08 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 0.76 0.16 0.00 3.42 0.01 -1.26 -4.78 113.70 112.02 1bnr s SER 80 Ca 0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1bnr s SER 80 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1bnr s SER 80 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1bnr n GLY 81 N -0.04 -1.41 3.76 3.44 0.00 -1.26 -4.96 105.19 104.71 1bnr n GLY 81 Ca -0.15 -2.09 -0.39 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 2.61 1.01 1.61 0.40 -1.26 -4.66 117.98 117.69 1bnr s PHE 82 Ca 0.00 1.40 -0.19 0.00 -0.60 0.00 0.00 56.93 57.53 1bnr s PHE 82 Cb 0.00 -3.70 -0.09 0.00 0.51 0.00 0.00 43.02 39.74 1bnr s PHE 82 CO 0.00 -2.37 -0.66 0.54 0.70 0.00 0.00 175.22 173.43 1bnr n ARG 83 N -0.38 -0.26 -1.60 0.44 1.74 -0.97 -4.99 116.66 110.65 1bnr n ARG 83 Ca 0.07 -0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1bnr n ARG 83 Cb 0.44 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 1.89 0.90 -0.32 0.55 0.23 -1.26 -5.05 115.26 112.21 1bnr n ASN 84 Ca 0.00 -1.20 0.08 0.00 -0.53 0.00 0.00 54.58 52.92 1bnr n ASN 84 Cb 0.61 -0.02 0.14 0.00 -2.08 0.00 0.00 39.78 38.44 1bnr n ASN 84 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1bnr n SER 85 N -2.28 1.92 -4.52 0.53 2.88 -1.26 -5.01 113.62 105.88 1bnr n SER 85 Ca 0.00 -3.19 -0.34 0.00 -1.33 0.00 0.00 58.87 54.01 1bnr n SER 85 Cb 0.07 -0.43 -0.12 0.00 -0.75 0.00 0.00 64.21 62.98 1bnr n SER 85 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1bnr s ASP 86 N -2.80 4.79 0.10 -3.46 1.11 -1.26 0.19 116.67 115.34 1bnr s ASP 86 Ca 0.31 -0.10 -0.22 0.00 0.18 0.00 0.00 52.55 52.72 1bnr s ASP 86 Cb 0.29 -1.67 0.06 0.00 1.07 0.00 0.00 42.92 42.66 1bnr s ASP 86 CO -0.01 0.21 0.55 -0.13 1.18 0.00 0.00 175.17 176.97 1bnr s ARG 87 N 0.11 1.15 -0.06 8.23 0.52 -0.56 -1.32 118.95 127.03 1bnr s ARG 87 Ca -0.01 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 1bnr s ARG 87 Cb -0.14 0.53 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 1bnr s ARG 87 CO 0.03 -0.46 -0.12 -1.50 0.02 0.00 0.00 175.30 173.27 1bnr s ILE 88 N -3.19 3.27 -0.18 1.52 2.07 -0.23 -1.46 121.20 122.99 1bnr s ILE 88 Ca -0.01 -0.64 -0.05 0.00 -1.41 0.00 0.00 60.65 58.54 1bnr s ILE 88 Cb -0.00 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.26 1bnr s ILE 88 CO -0.08 0.59 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.77 1bnr s LEU 89 N -0.72 3.28 -0.04 8.50 2.01 -0.56 -0.53 118.68 130.63 1bnr s LEU 89 Ca 0.11 -0.16 0.06 0.00 0.01 0.00 0.00 54.13 54.14 1bnr s LEU 89 Cb -0.11 -1.82 -0.02 0.00 0.01 0.00 0.00 46.19 44.25 1bnr s LEU 89 CO 0.01 0.10 -0.19 -0.72 1.01 0.00 0.00 176.35 176.56 1bnr s TYR 90 N 0.76 2.54 0.51 0.29 1.13 -0.02 -1.35 117.35 121.21 1bnr s TYR 90 Ca -0.00 -0.28 0.07 0.00 -1.41 0.00 0.00 57.07 55.45 1bnr s TYR 90 Cb -0.14 -1.57 0.03 0.00 -1.10 0.00 0.00 41.96 39.17 1bnr s TYR 90 CO 0.02 0.09 0.43 -1.54 -2.51 0.00 0.00 175.55 172.04 1bnr s SER 91 N -0.69 4.78 0.52 -0.18 1.04 -0.21 -0.77 113.70 118.20 1bnr s SER 91 Ca 0.11 -1.07 0.27 0.00 0.48 0.00 0.00 55.95 55.74 1bnr s SER 91 Cb -0.10 0.11 1.46 0.00 0.10 0.00 0.00 66.02 67.59 1bnr s SER 91 CO -0.00 -0.99 2.09 0.77 0.98 0.00 0.00 173.24 176.08 1bnr h SER 92 N 0.78 0.00 -0.29 7.02 4.64 -1.91 -0.67 113.55 123.11 1bnr h SER 92 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 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 0.56 0.11 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1bnr n ASP 93 N -3.71 2.80 -1.47 4.97 5.75 -1.26 -4.85 116.55 118.78 1bnr n ASP 93 Ca -0.02 -2.30 -0.13 0.00 -0.01 0.00 0.00 54.79 52.33 1bnr n ASP 93 Cb 0.22 -0.48 -0.01 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 0.36 -0.58 -2.85 2.11 5.03 -0.26 -4.97 117.44 116.29 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 0.57 -2.84 -0.04 0.00 -1.03 0.00 0.00 31.31 27.97 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 -3.73 4.13 -0.27 -0.99 1.43 -1.25 -4.78 118.68 113.22 1bnr s LEU 95 Ca 0.00 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1bnr s LEU 95 Cb 0.00 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1bnr s LEU 95 CO 0.00 -0.48 -0.04 -0.63 0.23 0.00 0.00 176.35 175.43 1bnr s ILE 96 N 2.55 2.86 -0.23 -0.59 1.01 -1.23 -1.04 121.20 124.52 1bnr s ILE 96 Ca 0.38 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1bnr s ILE 96 Cb -0.16 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1bnr s ILE 96 CO 0.10 0.07 -0.03 -0.31 0.00 0.00 0.00 174.94 174.76 1bnr s TYR 97 N 1.28 3.00 0.01 3.97 1.51 -0.46 -1.65 117.35 125.01 1bnr s TYR 97 Ca -0.03 -1.04 -0.20 0.00 -1.01 0.00 0.00 57.07 54.79 1bnr s TYR 97 Cb -0.18 -2.11 -0.06 0.00 -0.11 0.00 0.00 41.96 39.50 1bnr s TYR 97 CO -0.03 -0.58 0.59 -1.59 -1.11 0.00 0.00 175.55 172.83 1bnr s LYS 98 N 1.46 4.29 -0.07 -0.62 -2.85 -0.27 -1.50 119.74 120.19 1bnr s LYS 98 Ca 0.05 0.74 0.03 0.00 -1.00 0.00 0.00 55.97 55.79 1bnr s LYS 98 Cb -0.15 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.31 1bnr s LYS 98 CO -0.03 0.43 -0.17 -0.08 0.10 0.00 0.00 175.35 175.60 1bnr s THR 99 N -0.40 1.47 -0.29 3.79 -1.32 -0.53 -1.43 115.64 116.93 1bnr s THR 99 Ca 0.31 -0.69 0.08 0.00 -1.21 0.00 0.00 61.69 60.18 1bnr s THR 99 Cb -0.19 -1.30 0.48 0.00 -1.51 0.00 0.00 72.50 69.99 1bnr s THR 99 CO 0.18 0.43 1.41 0.35 -2.21 0.00 0.00 174.62 174.77 1bnr n THR 100 N 3.55 2.53 -2.01 5.08 -2.24 -1.26 -1.49 114.28 118.44 1bnr n THR 100 Ca -0.21 -3.07 -0.00 0.00 -2.27 0.00 0.00 64.05 58.50 1bnr n THR 100 Cb 0.52 -0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.06 -0.00 -1.57 3.42 9.92 -1.11 -4.74 116.55 121.40 1bnr n ASP 101 Ca 0.33 -1.51 -0.00 0.00 -0.53 0.00 0.00 54.79 53.08 1bnr n ASP 101 Cb 0.94 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 1bnr n ASP 101 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1bnr n HIS 102 N 0.01 -0.15 -3.65 1.24 -0.00 0.13 -4.12 115.22 108.69 1bnr n HIS 102 Ca -0.00 0.06 -0.28 0.00 -0.00 0.00 0.00 57.72 57.50 1bnr n HIS 102 Cb 0.61 -1.62 0.01 0.00 -0.00 0.00 0.00 29.99 28.99 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 -0.87 -2.00 0.00 1.57 4.01 -1.26 -4.87 117.16 113.75 1bnr n TYR 103 Ca 0.00 0.68 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 1bnr n TYR 103 Cb 0.35 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 35.90 1bnr n TYR 103 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bnr n GLN 104 N -4.20 0.00 -3.32 -0.72 -0.06 -1.26 -4.81 117.38 103.01 1bnr n GLN 104 Ca 0.01 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.62 1bnr n GLN 104 Cb 0.54 -0.30 -0.07 0.00 -4.06 0.00 0.00 30.24 26.34 1bnr n GLN 104 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1bnr s THR 105 N -0.77 5.15 -0.21 1.69 2.01 -1.26 -5.01 115.64 117.24 1bnr s THR 105 Ca 0.00 0.82 -0.03 0.00 0.31 0.00 0.00 61.69 62.78 1bnr s THR 105 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1bnr s THR 105 CO 0.00 0.21 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.72 1bnr s PHE 106 N 1.52 2.94 -0.15 4.92 0.08 -1.26 -3.80 117.98 122.23 1bnr s PHE 106 Ca 0.21 -0.88 -0.04 0.00 0.12 0.00 0.00 56.93 56.34 1bnr s PHE 106 Cb -0.15 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1bnr s PHE 106 CO 0.09 -0.49 -0.03 0.99 -0.10 0.00 0.00 175.22 175.68 1bnr s THR 107 N 1.29 3.97 -0.38 0.64 2.01 -0.51 -4.85 115.64 117.81 1bnr s THR 107 Ca 0.03 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 1bnr s THR 107 Cb -0.14 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1bnr s THR 107 CO -0.02 0.50 1.13 -0.75 -0.69 0.00 0.00 174.62 174.79 1bnr s LYS 108 N 0.25 3.91 -0.01 4.92 2.20 -1.26 -1.11 119.74 128.65 1bnr s LYS 108 Ca -0.02 0.90 0.07 0.00 -0.36 0.00 0.00 55.97 56.56 1bnr s LYS 108 Cb -0.14 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.26 1bnr s LYS 108 CO 0.03 -1.12 0.23 0.44 -0.36 0.00 0.00 175.35 174.57 1bnr n ILE 109 N 6.29 0.00 -1.81 5.43 -5.35 -0.66 -5.00 119.36 118.27 1bnr n ILE 109 Ca 0.12 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1bnr n ILE 109 Cb 0.48 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33