#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnr s GLN 2 N 0.00 2.41 0.85 0.00 0.74 -1.26 -5.12 119.66 117.28 1bnr s GLN 2 Ca 0.00 -0.78 -0.12 0.00 0.05 0.00 0.00 55.36 54.51 1bnr s GLN 2 Cb 0.00 -2.38 0.10 0.00 1.10 0.00 0.00 33.01 31.83 1bnr s GLN 2 CO 0.00 0.59 1.14 0.08 -0.55 0.00 0.00 175.29 176.55 1bnr s VAL 3 N -0.90 2.33 -0.40 1.34 1.01 -1.26 -5.03 120.40 117.49 1bnr s VAL 3 Ca 0.15 0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.32 1bnr s VAL 3 Cb -0.11 -2.93 0.27 0.00 0.00 0.00 0.00 36.38 33.61 1bnr s VAL 3 CO 0.05 -0.14 0.58 -0.38 0.00 0.00 0.00 175.10 175.21 1bnr n ILE 4 N -3.53 -0.35 -2.37 2.22 5.41 -1.26 -4.92 119.36 114.56 1bnr n ILE 4 Ca 0.07 -4.22 -0.15 0.00 1.00 0.00 0.00 62.75 59.45 1bnr n ILE 4 Cb 0.59 -1.62 0.03 0.00 -0.71 0.00 0.00 39.64 37.93 1bnr n ILE 4 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1bnr n ASN 5 N 1.12 3.55 -2.60 4.38 6.94 -1.26 -4.54 115.26 122.86 1bnr n ASN 5 Ca 0.22 -3.07 -0.13 0.00 -0.02 0.00 0.00 54.58 51.58 1bnr n ASN 5 Cb 0.55 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.63 0.00 -0.03 5.53 -2.24 -1.26 -1.28 114.28 114.37 1bnr n THR 6 Ca 0.29 -1.29 -0.16 0.00 -2.27 0.00 0.00 64.05 60.62 1bnr n THR 6 Cb 0.88 0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.43 0.21 -0.28 4.78 0.04 -1.95 -2.10 116.94 119.07 1bnr h PHE 7 Ca -0.16 -0.14 -0.18 0.00 2.80 0.00 0.00 57.97 60.29 1bnr h PHE 7 Cb 0.65 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1bnr h PHE 7 CO 0.00 1.07 -0.53 -0.44 -0.60 0.00 0.00 178.31 177.81 1bnr h ASP 8 N -0.70 0.95 0.12 2.17 5.19 -1.97 -0.68 116.42 121.49 1bnr h ASP 8 Ca -0.05 -0.54 -0.01 0.00 -0.62 0.00 0.00 57.03 55.82 1bnr h ASP 8 Cb 1.18 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1bnr h ASP 8 CO 0.05 1.31 -0.06 1.23 -3.12 0.00 0.00 179.24 178.66 1bnr h GLY 9 N 0.63 -0.16 0.97 2.75 0.00 -1.95 -0.90 103.07 104.41 1bnr h GLY 9 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1bnr h GLY 9 CO 0.12 -0.06 0.19 -2.08 0.00 0.00 0.00 176.54 174.71 1bnr h VAL 10 N -0.52 1.21 -0.96 4.60 2.07 -1.45 -1.45 116.25 119.74 1bnr h VAL 10 Ca -0.02 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1bnr h VAL 10 Cb 0.42 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1bnr h VAL 10 CO 0.03 0.25 0.62 0.00 0.02 0.00 0.00 177.57 178.48 1bnr h ALA 11 N 1.04 1.49 0.52 1.67 0.00 -1.10 0.71 119.26 123.58 1bnr h ALA 11 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1bnr h ALA 11 Cb 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bnr h ALA 11 CO -0.01 0.34 -0.25 -0.44 0.00 0.00 0.00 179.25 178.89 1bnr h ASP 12 N 1.06 -0.59 -0.09 0.00 5.19 -0.39 -1.38 116.42 120.23 1bnr h ASP 12 Ca 0.43 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.85 1bnr h ASP 12 Cb 0.27 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1bnr h ASP 12 CO -0.18 -0.36 0.14 0.22 -3.12 0.00 0.00 179.24 175.94 1bnr h TYR 13 N -0.79 0.00 0.28 4.55 3.20 -0.63 0.42 116.97 123.99 1bnr h TYR 13 Ca -0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1bnr h TYR 13 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1bnr h TYR 13 CO -0.02 0.00 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.29 1bnr h LEU 14 N 0.00 -0.32 0.00 2.82 3.38 0.03 -0.79 115.31 120.43 1bnr h LEU 14 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bnr h LEU 14 Cb 0.32 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1bnr h LEU 14 CO -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1bnr n GLN 15 N -4.05 0.28 0.00 1.13 6.02 -0.61 0.44 117.38 120.59 1bnr n GLN 15 Ca -0.05 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1bnr n GLN 15 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 0.00 1.29 5.09 -1.04 0.14 -4.53 114.28 113.99 1bnr n THR 16 Ca 0.09 0.49 0.13 0.00 -2.04 0.00 0.00 64.05 62.72 1bnr n THR 16 Cb 0.12 -1.49 0.41 0.00 -1.82 0.00 0.00 70.33 67.56 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 -2.26 0.00 -3.53 -1.42 4.01 -0.31 -4.95 117.16 108.70 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 -0.11 0.06 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.54 -2.10 0.00 -0.72 8.25 0.17 -4.97 115.22 115.32 1bnr n HIS 18 Ca 0.13 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 1bnr n HIS 18 Cb 0.35 -4.61 0.00 0.00 1.12 0.00 0.00 29.99 26.85 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 -4.08 0.00 -1.40 -0.41 2.85 -1.24 -5.05 118.16 108.84 1bnr n LYS 19 Ca -0.26 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.61 1bnr n LYS 19 Cb 0.66 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 35.06 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 -0.78 -4.43 -5.58 4.77 -1.26 -4.65 117.00 105.06 1bnr n LEU 20 Ca 0.00 0.77 -0.33 0.00 -0.03 0.00 0.00 56.01 56.43 1bnr n LEU 20 Cb 0.00 -1.06 0.13 0.00 -2.33 0.00 0.00 43.42 40.16 1bnr n LEU 20 CO 0.00 -3.50 -0.03 -2.65 -1.33 0.00 0.00 177.39 169.88 1bnr n PRO 21 N 0.61 -0.36 0.00 3.23 -0.02 -1.26 -4.81 135.00 132.38 1bnr n PRO 21 Ca 0.11 -0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.58 1bnr n PRO 21 Cb 0.45 -1.90 0.26 0.00 -0.02 0.00 0.00 33.50 32.28 1bnr n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bnr n ASP 22 N -1.62 0.00 -1.64 2.55 5.75 -1.26 -1.80 116.55 118.53 1bnr n ASP 22 Ca 0.07 0.35 0.01 0.00 -0.01 0.00 0.00 54.79 55.20 1bnr n ASP 22 Cb 0.54 -0.41 0.28 0.00 -1.03 0.00 0.00 41.12 40.49 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bnr n ASN 23 N -1.41 4.43 -4.03 -1.12 0.23 -1.26 -4.68 115.26 107.42 1bnr n ASN 23 Ca 0.04 -2.81 -0.33 0.00 -0.53 0.00 0.00 54.58 50.94 1bnr n ASN 23 Cb 0.11 -0.67 -0.10 0.00 -2.08 0.00 0.00 39.78 37.05 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 -2.38 3.59 -0.21 -2.53 2.02 -0.74 0.02 117.35 117.12 1bnr s TYR 24 Ca 0.42 -3.05 -0.14 0.00 -0.37 0.00 0.00 57.07 53.93 1bnr s TYR 24 Cb 0.33 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 1bnr s TYR 24 CO 0.11 -0.71 0.30 0.96 -1.57 0.00 0.00 175.55 174.64 1bnr s ILE 25 N -0.92 5.27 0.96 2.71 -5.25 0.18 -4.35 121.20 119.81 1bnr s ILE 25 Ca 0.23 0.50 -0.16 0.00 -0.99 0.00 0.00 60.65 60.22 1bnr s ILE 25 Cb -0.12 -3.63 0.05 0.00 2.95 0.00 0.00 42.46 41.71 1bnr s ILE 25 CO -0.10 0.31 -0.21 0.35 -1.79 0.00 0.00 174.94 173.50 1bnr n THR 26 N 4.16 0.00 -0.07 8.37 -2.24 -1.16 -3.61 114.28 119.74 1bnr n THR 26 Ca -0.11 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1bnr n THR 26 Cb 0.52 -0.34 -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 -2.08 0.58 -0.95 -0.78 6.56 -1.90 -2.87 116.57 115.13 1bnr h LYS 27 Ca -0.32 -0.33 0.11 0.00 -1.06 0.00 0.00 60.65 59.05 1bnr h LYS 27 Cb 0.95 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.56 1bnr h LYS 27 CO 0.20 0.93 0.61 1.03 -2.06 0.00 0.00 179.45 180.17 1bnr h SER 28 N 0.26 0.86 -0.94 0.86 0.87 -1.98 0.21 113.55 113.69 1bnr h SER 28 Ca 0.02 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1bnr h SER 28 Cb 0.87 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1bnr h SER 28 CO 0.07 0.48 0.62 -0.33 -0.53 0.00 0.00 176.83 177.13 1bnr h GLU 29 N 0.93 1.14 -0.32 2.24 4.39 -1.81 -0.00 114.58 121.15 1bnr h GLU 29 Ca 0.46 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.97 1bnr h GLU 29 Cb 0.47 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1bnr h GLU 29 CO -0.22 0.75 -0.28 0.00 -1.16 0.00 0.00 179.01 178.10 1bnr h ALA 30 N 1.46 0.90 -0.46 3.43 0.00 -0.47 -2.24 119.26 121.88 1bnr h ALA 30 Ca 0.38 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bnr h ALA 30 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1bnr h ALA 30 CO -0.12 0.62 0.26 1.96 0.00 0.00 0.00 179.25 181.97 1bnr h GLN 31 N 0.57 0.62 -0.60 0.00 4.20 0.27 -0.32 115.11 119.86 1bnr h GLN 31 Ca 0.07 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1bnr h GLN 31 Cb 0.78 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1bnr h GLN 31 CO 0.06 0.45 0.39 0.00 -0.67 0.00 0.00 178.83 179.06 1bnr h ALA 32 N 1.66 1.79 0.00 3.87 0.00 -0.55 0.72 119.26 126.75 1bnr h ALA 32 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bnr h ALA 32 Cb -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bnr h ALA 32 CO -0.03 0.12 -0.12 -0.07 0.00 0.00 0.00 179.25 179.15 1bnr h LEU 33 N 0.60 0.00 0.00 0.00 4.07 -1.07 -3.46 115.31 115.44 1bnr h LEU 33 Ca 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1bnr h LEU 33 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1bnr h LEU 33 CO -0.07 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 1bnr n GLY 34 N 1.16 1.14 3.60 0.83 0.00 0.24 -5.02 105.19 107.14 1bnr n GLY 34 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.39 1.61 -0.00 -0.58 -4.88 118.94 115.93 1bnr s TRP 35 Ca 0.00 0.09 -0.21 0.00 -0.00 0.00 0.00 56.10 55.97 1bnr s TRP 35 Cb 0.00 -2.32 0.01 0.00 -0.00 0.00 0.00 33.47 31.16 1bnr s TRP 35 CO 0.00 -0.10 0.69 0.54 -0.00 0.00 0.00 176.95 178.08 1bnr s VAL 36 N 1.48 4.81 -0.89 5.86 0.11 -1.26 -4.06 120.40 126.46 1bnr s VAL 36 Ca 0.07 0.54 0.08 0.00 -2.93 0.00 0.00 61.98 59.74 1bnr s VAL 36 Cb -0.15 -4.16 0.08 0.00 -1.53 0.00 0.00 36.38 30.61 1bnr s VAL 36 CO 0.08 -0.45 1.27 0.00 -3.33 0.00 0.00 175.10 172.66 1bnr n ALA 37 N 6.26 1.27 -0.42 1.54 0.00 -1.26 -1.28 120.51 126.62 1bnr n ALA 37 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1bnr n ALA 37 Cb 0.48 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1bnr n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bnr n SER 38 N -1.62 0.00 0.24 0.00 7.64 -1.26 -4.05 113.62 114.56 1bnr n SER 38 Ca 0.01 0.38 0.07 0.00 1.01 0.00 0.00 58.87 60.34 1bnr n SER 38 Cb 0.08 -0.29 0.57 0.00 -1.01 0.00 0.00 64.21 63.56 1bnr n SER 38 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1bnr h LYS 39 N 0.00 0.00 -4.07 1.43 1.57 -1.99 -3.47 116.57 110.04 1bnr h LYS 39 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1bnr h LYS 39 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.35 1bnr h LYS 39 CO 0.00 0.12 -0.19 0.41 -0.57 0.00 0.00 179.45 179.21 1bnr n GLY 40 N -1.17 -0.36 2.33 3.86 0.00 -0.41 -4.50 105.19 104.94 1bnr n GLY 40 Ca -0.03 0.10 -0.30 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 -1.81 6.01 0.18 1.61 6.94 -1.25 -2.98 115.26 123.95 1bnr n ASN 41 Ca -0.02 -3.77 -0.12 0.00 -0.02 0.00 0.00 54.58 50.66 1bnr n ASN 41 Cb 0.53 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 37.24 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 2.33 -0.96 -1.16 -4.53 5.85 -1.89 0.27 115.31 115.23 1bnr h LEU 42 Ca 0.45 0.08 0.26 0.00 0.84 0.00 0.00 57.88 59.51 1bnr h LEU 42 Cb 1.00 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 1bnr h LEU 42 CO 1.10 -0.44 1.10 0.00 -0.34 0.00 0.00 178.44 179.86 1bnr h ALA 43 N -1.14 2.82 0.14 1.25 0.00 -1.84 0.58 119.26 121.07 1bnr h ALA 43 Ca -0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1bnr h ALA 43 Cb 0.58 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1bnr h ALA 43 CO -0.07 -1.57 -0.83 0.22 0.00 0.00 0.00 179.25 177.01 1bnr h ASP 44 N 0.00 0.48 0.00 0.00 3.58 -1.34 -3.30 116.42 115.85 1bnr h ASP 44 Ca 0.43 -0.95 -0.27 0.00 0.42 0.00 0.00 57.03 56.66 1bnr h ASP 44 Cb 2.63 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 43.48 1bnr h ASP 44 CO -0.00 1.40 -1.64 1.33 -2.88 0.00 0.00 179.24 177.45 1bnr n VAL 45 N -4.12 1.52 -3.64 2.25 0.24 0.16 -4.71 118.33 110.03 1bnr n VAL 45 Ca -0.14 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 61.77 1bnr n VAL 45 Cb 0.83 -2.05 -0.10 0.00 -1.47 0.00 0.00 33.84 31.05 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 -3.86 3.79 -0.74 2.33 0.00 0.95 -5.07 120.51 117.90 1bnr n ALA 46 Ca -0.36 -4.67 -0.29 0.00 0.00 0.00 0.00 53.44 48.12 1bnr n ALA 46 Cb 0.70 -0.97 0.20 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.03 0.05 -1.21 0.00 0.04 -1.22 -3.76 135.00 126.87 1bnr s PRO 47 Ca 0.33 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1bnr s PRO 47 Cb 0.06 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.98 1bnr s PRO 47 CO -0.08 -3.12 0.68 0.41 0.04 0.00 0.00 177.00 174.93 1bnr n GLY 48 N 0.18 -0.83 3.14 0.56 0.00 -1.26 -4.95 105.19 102.02 1bnr n GLY 48 Ca 0.06 0.36 -0.09 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 -7.00 0.81 -0.04 1.61 3.01 -1.25 -5.06 119.74 111.82 1bnr s LYS 49 Ca 0.46 -1.35 0.03 0.00 -1.01 0.00 0.00 55.97 54.09 1bnr s LYS 49 Cb -0.22 0.13 0.00 0.00 -1.01 0.00 0.00 37.83 36.73 1bnr s LYS 49 CO 0.94 -0.16 -0.12 -1.12 0.51 0.00 0.00 175.35 175.40 1bnr s SER 50 N -3.01 1.66 -0.46 2.83 0.01 0.10 -4.97 113.70 109.86 1bnr s SER 50 Ca 0.16 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 56.97 1bnr s SER 50 Cb 0.07 -0.56 0.04 0.00 0.21 0.00 0.00 66.02 65.78 1bnr s SER 50 CO -0.03 0.08 0.50 -0.63 0.41 0.00 0.00 173.24 173.56 1bnr s ILE 51 N 0.31 5.04 0.28 1.44 -1.09 -1.26 0.50 121.20 126.42 1bnr s ILE 51 Ca -0.07 -0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 1bnr s ILE 51 Cb -0.12 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1bnr s ILE 51 CO 0.02 -0.59 0.60 -0.83 -1.23 0.00 0.00 174.94 172.91 1bnr s GLY 52 N 2.26 0.32 0.00 6.18 0.00 -1.24 -0.06 107.32 114.79 1bnr s GLY 52 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1bnr s GLY 52 CO 0.12 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1bnr n GLY 53 N -0.44 0.26 3.65 0.20 0.00 -0.55 -2.99 105.19 105.32 1bnr n GLY 53 Ca -0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.81 -0.39 0.54 1.61 1.01 -1.23 -4.72 116.67 111.68 1bnr s ASP 54 Ca 0.00 -0.35 -0.20 0.00 0.71 0.00 0.00 52.55 52.72 1bnr s ASP 54 Cb 0.00 0.66 -0.06 0.00 1.01 0.00 0.00 42.92 44.54 1bnr s ASP 54 CO 0.00 -1.17 1.14 -0.63 0.21 0.00 0.00 175.17 174.72 1bnr s ILE 55 N -3.85 3.10 0.02 0.77 -1.09 -1.26 -1.26 121.20 117.64 1bnr s ILE 55 Ca 0.07 0.70 0.05 0.00 -2.23 0.00 0.00 60.65 59.23 1bnr s ILE 55 Cb -0.04 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1bnr s ILE 55 CO -0.02 -0.14 -0.11 0.12 -1.23 0.00 0.00 174.94 173.56 1bnr s PHE 56 N -1.73 2.77 0.00 3.97 5.36 0.29 -4.52 117.98 124.11 1bnr s PHE 56 Ca 0.73 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1bnr s PHE 56 Cb -0.25 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1bnr s PHE 56 CO 0.28 0.33 0.16 0.43 -1.46 0.00 0.00 175.22 174.95 1bnr n SER 57 N 1.56 0.00 0.00 6.13 7.64 -1.26 -4.67 113.62 123.02 1bnr n SER 57 Ca -0.16 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bnr n SER 57 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.28 -2.75 0.10 6.43 4.05 -1.26 -4.85 115.26 116.70 1bnr n ASN 58 Ca 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 1bnr n ASN 58 Cb 0.00 -1.93 -0.07 0.00 1.23 0.00 0.00 39.78 39.01 1bnr n ASN 58 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1bnr h ARG 59 N 0.76 -0.31 -0.79 1.20 9.65 -1.99 -3.21 114.38 119.69 1bnr h ARG 59 Ca 0.00 0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.04 1bnr h ARG 59 Cb 0.34 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.90 1bnr h ARG 59 CO 0.00 0.06 0.37 0.93 2.80 0.00 0.00 179.97 184.13 1bnr h GLU 60 N -0.86 0.52 0.00 0.20 5.08 -2.01 -3.46 114.58 114.06 1bnr h GLU 60 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1bnr h GLU 60 Cb 0.51 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1bnr h GLU 60 CO 0.05 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 1bnr n GLY 61 N -1.32 0.58 0.00 -3.84 0.00 -1.21 -5.06 105.19 94.34 1bnr n GLY 61 Ca 0.15 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 5.46 -4.45 1.61 4.76 -1.26 -5.01 118.16 119.26 1bnr n LYS 62 Ca 0.00 -0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1bnr n LYS 62 Cb 0.00 -0.65 -0.13 0.00 -1.84 0.00 0.00 35.03 32.41 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 -2.24 2.28 -0.60 -0.35 1.43 -1.26 -4.84 118.68 113.09 1bnr s LEU 63 Ca 0.00 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.16 1bnr s LEU 63 Cb 0.01 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 1bnr s LEU 63 CO 0.07 0.15 2.39 -2.16 0.23 0.00 0.00 176.35 177.02 1bnr s PRO 64 N -1.80 1.94 0.59 1.29 0.04 -1.26 -4.94 135.00 130.86 1bnr s PRO 64 Ca 0.10 1.04 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 1bnr s PRO 64 Cb -0.10 -4.66 -0.01 0.00 0.04 0.00 0.00 34.50 29.77 1bnr s PRO 64 CO 0.04 -3.68 0.93 0.20 0.04 0.00 0.00 177.00 174.54 1bnr s GLY 65 N 11.58 1.59 0.32 0.56 0.00 -1.26 -5.06 107.32 115.06 1bnr s GLY 65 Ca 0.94 -0.44 0.07 0.00 0.00 0.00 0.00 44.72 45.29 1bnr s GLY 65 CO 0.19 -0.18 0.26 0.54 0.00 0.00 0.00 173.10 173.92 1bnr s LYS 66 N -5.03 1.73 -0.78 2.90 -0.14 -1.26 -5.05 119.74 112.10 1bnr s LYS 66 Ca 0.53 -2.00 -0.25 0.00 -1.36 0.00 0.00 55.97 52.89 1bnr s LYS 66 Cb -0.11 0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 36.30 1bnr s LYS 66 CO 0.48 -0.63 1.89 -1.12 -0.76 0.00 0.00 175.35 175.21 1bnr s SER 67 N -3.37 5.25 0.00 2.83 0.01 -1.26 -3.36 113.70 113.81 1bnr s SER 67 Ca 0.40 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1bnr s SER 67 Cb 0.03 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1bnr s SER 67 CO 0.26 -2.54 0.00 0.61 0.41 0.00 0.00 173.24 171.98 1bnr n GLY 68 N 6.36 0.90 3.08 3.44 0.00 -1.26 -5.09 105.19 112.62 1bnr n GLY 68 Ca 0.31 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.82 0.83 -0.11 1.61 3.52 -1.21 -5.12 118.95 115.64 1bnr s ARG 69 Ca 0.00 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 1bnr s ARG 69 Cb 0.00 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.60 1bnr s ARG 69 CO 0.00 0.20 -0.22 0.99 -0.81 0.00 0.00 175.30 175.46 1bnr s THR 70 N -0.60 1.96 0.20 4.11 2.01 -1.26 -4.77 115.64 117.29 1bnr s THR 70 Ca 0.01 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 1bnr s THR 70 Cb -0.06 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.66 1bnr s THR 70 CO 0.00 0.54 0.60 0.26 -0.69 0.00 0.00 174.62 175.33 1bnr s TRP 71 N 0.54 3.55 -0.02 4.92 0.52 -1.26 -4.10 118.94 123.08 1bnr s TRP 71 Ca -0.15 1.10 0.08 0.00 0.02 0.00 0.00 56.10 57.15 1bnr s TRP 71 Cb -0.17 -2.41 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 1bnr s TRP 71 CO 0.05 0.34 -0.25 1.03 0.02 0.00 0.00 176.95 178.13 1bnr s ARG 72 N -2.27 2.04 0.28 4.98 0.52 -0.52 -0.55 118.95 123.44 1bnr s ARG 72 Ca 0.43 -0.91 0.08 0.00 -0.52 0.00 0.00 55.73 54.81 1bnr s ARG 72 Cb -0.14 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1bnr s ARG 72 CO 0.20 0.54 0.18 -1.83 0.02 0.00 0.00 175.30 174.41 1bnr s GLU 73 N -0.60 2.72 -0.02 3.54 -1.05 -0.39 -1.03 118.70 121.87 1bnr s GLU 73 Ca 0.10 -1.22 -0.09 0.00 -0.15 0.00 0.00 54.97 53.61 1bnr s GLU 73 Cb -0.10 -2.44 0.01 0.00 -0.44 0.00 0.00 34.13 31.16 1bnr s GLU 73 CO -0.01 0.29 0.19 0.00 0.95 0.00 0.00 175.26 176.68 1bnr s ALA 74 N -2.24 -0.46 0.32 -0.84 0.00 0.38 -1.48 121.76 117.45 1bnr s ALA 74 Ca 0.35 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 1bnr s ALA 74 Cb -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 1bnr s ALA 74 CO 0.24 -0.20 1.14 -0.51 0.00 0.00 0.00 175.76 176.43 1bnr s ASP 75 N -1.11 7.00 -0.01 0.00 1.11 0.92 -0.99 116.67 123.58 1bnr s ASP 75 Ca -0.12 2.33 0.01 0.00 0.18 0.00 0.00 52.55 54.95 1bnr s ASP 75 Cb -0.06 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.31 1bnr s ASP 75 CO 0.02 -0.34 -0.05 -0.63 1.18 0.00 0.00 175.17 175.35 1bnr s ILE 76 N -1.26 0.42 -0.59 0.77 -1.09 -0.18 -4.70 121.20 114.58 1bnr s ILE 76 Ca 0.49 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.69 1bnr s ILE 76 Cb -0.32 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.18 1bnr s ILE 76 CO 0.41 0.14 0.43 0.59 -1.23 0.00 0.00 174.94 175.28 1bnr n ASN 77 N 3.23 -3.75 -4.75 3.58 4.13 -0.41 -4.07 115.26 113.22 1bnr n ASN 77 Ca -0.16 -0.20 -0.41 0.00 1.68 0.00 0.00 54.58 55.49 1bnr n ASN 77 Cb 0.56 -2.40 -0.03 0.00 -1.54 0.00 0.00 39.78 36.37 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 -3.05 3.25 0.00 3.10 5.04 -1.26 -4.91 117.35 119.53 1bnr s TYR 78 Ca 0.22 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1bnr s TYR 78 Cb -0.10 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.64 1bnr s TYR 78 CO 0.27 -1.65 0.00 0.25 -1.34 0.00 0.00 175.55 173.08 1bnr n THR 79 N 1.86 0.00 -3.81 4.34 -2.24 -1.26 -5.08 114.28 108.10 1bnr n THR 79 Ca 0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1bnr n THR 79 Cb 0.43 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1bnr n THR 79 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bnr n SER 80 N -0.97 -1.44 0.00 3.42 7.64 -1.26 -4.91 113.62 116.10 1bnr n SER 80 Ca 0.00 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.11 1bnr n SER 80 Cb 0.00 2.35 0.00 0.00 -1.01 0.00 0.00 64.21 65.55 1bnr n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnr n GLY 81 N -0.59 0.70 3.07 0.23 0.00 -1.26 -4.74 105.19 102.60 1bnr n GLY 81 Ca -0.02 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 -2.02 -0.00 1.61 3.01 -1.16 -4.48 117.46 114.43 1bnr n PHE 82 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1bnr n PHE 82 Cb 0.00 -1.43 0.00 0.00 -0.01 0.00 0.00 39.48 38.04 1bnr n PHE 82 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bnr n ARG 83 N -1.46 0.89 -2.76 -1.08 5.12 -1.26 -4.93 116.66 111.19 1bnr n ARG 83 Ca 0.04 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.87 1bnr n ARG 83 Cb 0.44 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.72 1bnr n ARG 83 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bnr n ASN 84 N -0.11 2.03 -0.25 0.55 6.94 -1.26 -4.94 115.26 118.22 1bnr n ASN 84 Ca 0.00 -1.64 0.03 0.00 -0.02 0.00 0.00 54.58 52.95 1bnr n ASN 84 Cb 0.00 0.16 0.03 0.00 -2.36 0.00 0.00 39.78 37.61 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1bnr n SER 85 N -1.31 1.66 -4.52 0.53 3.41 -1.26 -4.97 113.62 107.16 1bnr n SER 85 Ca -0.05 -1.38 -0.34 0.00 -0.26 0.00 0.00 58.87 56.85 1bnr n SER 85 Cb 0.18 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.57 4.81 -0.12 4.04 1.01 -1.26 -0.39 116.67 124.19 1bnr s ASP 86 Ca 0.08 -0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.12 1bnr s ASP 86 Cb 0.05 -1.71 0.03 0.00 1.01 0.00 0.00 42.92 42.30 1bnr s ASP 86 CO 0.07 0.20 0.32 -0.13 0.21 0.00 0.00 175.17 175.84 1bnr s ARG 87 N 0.19 0.37 -0.06 8.23 0.52 -0.55 -1.01 118.95 126.64 1bnr s ARG 87 Ca -0.02 0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 55.59 1bnr s ARG 87 Cb -0.14 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 1bnr s ARG 87 CO 0.03 -0.05 0.18 -1.50 0.02 0.00 0.00 175.30 173.98 1bnr s ILE 88 N 0.20 5.45 -0.25 1.52 2.07 -0.16 -1.46 121.20 128.57 1bnr s ILE 88 Ca -0.00 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1bnr s ILE 88 Cb -0.02 -3.48 0.03 0.00 0.13 0.00 0.00 42.46 39.12 1bnr s ILE 88 CO 0.00 0.48 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.70 1bnr s LEU 89 N -1.45 3.28 -0.09 8.50 2.01 -0.43 -0.47 118.68 130.03 1bnr s LEU 89 Ca 0.21 -0.93 -0.01 0.00 0.01 0.00 0.00 54.13 53.41 1bnr s LEU 89 Cb -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 46.19 44.38 1bnr s LEU 89 CO 0.11 -0.14 -0.03 -0.72 1.01 0.00 0.00 176.35 176.57 1bnr s TYR 90 N 1.31 3.05 0.52 0.29 1.13 -0.20 -1.37 117.35 122.08 1bnr s TYR 90 Ca -0.01 0.05 0.05 0.00 -1.41 0.00 0.00 57.07 55.75 1bnr s TYR 90 Cb -0.17 -1.78 0.02 0.00 -1.10 0.00 0.00 41.96 38.93 1bnr s TYR 90 CO -0.04 0.34 0.32 -1.54 -2.51 0.00 0.00 175.55 172.12 1bnr s SER 91 N -0.67 4.56 0.58 -0.18 1.04 -0.41 -1.44 113.70 117.19 1bnr s SER 91 Ca 0.10 -1.26 0.36 0.00 0.48 0.00 0.00 55.95 55.63 1bnr s SER 91 Cb -0.12 0.30 1.72 0.00 0.10 0.00 0.00 66.02 68.02 1bnr s SER 91 CO 0.02 -0.99 2.12 0.77 0.98 0.00 0.00 173.24 176.14 1bnr h SER 92 N 0.91 0.00 -0.31 7.02 4.64 -1.92 -0.86 113.55 123.03 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 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bnr h SER 92 CO 0.61 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1bnr n ASP 93 N -3.22 2.27 -1.26 4.97 5.75 -1.26 -4.86 116.55 118.94 1bnr n ASP 93 Ca -0.01 -2.15 -0.12 0.00 -0.01 0.00 0.00 54.79 52.50 1bnr n ASP 93 Cb 0.22 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.42 -0.39 -3.10 2.11 5.03 -0.33 -4.98 117.44 116.19 1bnr n TRP 94 Ca 0.12 0.00 -0.39 0.00 3.03 0.00 0.00 57.50 60.25 1bnr n TRP 94 Cb 0.42 -2.60 -0.05 0.00 -1.03 0.00 0.00 31.31 28.05 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 -3.32 4.32 -0.27 -0.99 1.43 -1.25 -4.82 118.68 113.77 1bnr s LEU 95 Ca 0.00 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1bnr s LEU 95 Cb 0.00 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 43.28 1bnr s LEU 95 CO 0.00 -0.08 -0.09 -0.63 0.23 0.00 0.00 176.35 175.79 1bnr s ILE 96 N 0.69 2.10 -0.33 -0.59 1.01 -1.26 -1.29 121.20 121.54 1bnr s ILE 96 Ca 0.35 -1.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.25 1bnr s ILE 96 Cb -0.17 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1bnr s ILE 96 CO 0.17 -0.10 0.12 -0.31 0.00 0.00 0.00 174.94 174.82 1bnr s TYR 97 N 1.12 3.21 -0.03 3.97 2.02 -0.47 -1.67 117.35 125.50 1bnr s TYR 97 Ca -0.06 -1.07 -0.21 0.00 -0.37 0.00 0.00 57.07 55.36 1bnr s TYR 97 Cb -0.20 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 1bnr s TYR 97 CO -0.06 -0.63 0.59 -1.59 -1.57 0.00 0.00 175.55 172.30 1bnr s LYS 98 N 1.49 4.33 -0.18 -0.62 -2.85 -0.16 -1.31 119.74 120.45 1bnr s LYS 98 Ca 0.01 0.71 -0.01 0.00 -1.00 0.00 0.00 55.97 55.69 1bnr s LYS 98 Cb -0.18 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.22 1bnr s LYS 98 CO 0.04 0.29 -0.14 -0.08 0.10 0.00 0.00 175.35 175.57 1bnr s THR 99 N 0.08 2.70 -0.33 3.79 -1.32 -0.53 -1.25 115.64 118.77 1bnr s THR 99 Ca 0.31 -0.74 0.09 0.00 -1.21 0.00 0.00 61.69 60.14 1bnr s THR 99 Cb -0.18 -2.17 0.64 0.00 -1.51 0.00 0.00 72.50 69.28 1bnr s THR 99 CO 0.16 0.50 1.70 0.35 -2.21 0.00 0.00 174.62 175.12 1bnr n THR 100 N 4.39 2.84 -2.15 5.08 -2.24 -1.25 -1.48 114.28 119.46 1bnr n THR 100 Ca -0.19 -2.05 -0.01 0.00 -2.27 0.00 0.00 64.05 59.53 1bnr n THR 100 Cb 0.51 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.74 0.02 -1.78 3.42 5.68 -1.16 -4.75 116.55 117.23 1bnr n ASP 101 Ca 0.42 -1.80 -0.01 0.00 -0.50 0.00 0.00 54.79 52.90 1bnr n ASP 101 Cb 1.32 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 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 0.15 -0.62 -2.44 2.11 -0.00 0.48 -3.65 115.22 111.25 1bnr n HIS 102 Ca -0.06 0.24 -0.02 0.00 -0.00 0.00 0.00 57.72 57.88 1bnr n HIS 102 Cb 0.80 -2.00 -0.00 0.00 -0.00 0.00 0.00 29.99 28.78 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 -0.86 -1.86 0.06 1.57 4.01 -1.26 -4.69 117.16 114.13 1bnr n TYR 103 Ca 0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.86 1bnr n TYR 103 Cb 0.33 -1.32 -0.16 0.00 -0.31 0.00 0.00 39.34 37.88 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 -2.51 0.61 -3.42 -0.72 6.02 -1.24 -4.84 117.38 111.29 1bnr n GLN 104 Ca -0.03 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.00 56.64 1bnr n GLN 104 Cb 0.51 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 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 -3.48 -0.44 -0.19 5.09 -1.32 -1.26 -5.01 115.64 109.03 1bnr s THR 105 Ca -0.07 -0.21 -0.17 0.00 -1.21 0.00 0.00 61.69 60.03 1bnr s THR 105 Cb 0.14 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.28 1bnr s THR 105 CO 0.90 -0.26 0.45 -0.36 -2.21 0.00 0.00 174.62 173.15 1bnr s PHE 106 N 2.41 3.39 -0.17 9.09 0.08 -1.26 -3.87 117.98 127.64 1bnr s PHE 106 Ca 0.09 0.71 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 1bnr s PHE 106 Cb -0.15 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 1bnr s PHE 106 CO -0.20 -0.03 -0.09 0.99 -0.10 0.00 0.00 175.22 175.80 1bnr s THR 107 N 1.36 3.23 -0.38 0.64 2.01 -0.38 -4.86 115.64 117.26 1bnr s THR 107 Ca 0.22 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 1bnr s THR 107 Cb -0.15 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 69.97 1bnr s THR 107 CO 0.09 0.48 1.16 -0.75 -0.69 0.00 0.00 174.62 174.91 1bnr s LYS 108 N 0.80 3.89 0.00 4.92 2.20 -1.26 -0.99 119.74 129.30 1bnr s LYS 108 Ca -0.03 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.54 1bnr s LYS 108 Cb -0.15 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1bnr s LYS 108 CO 0.01 -1.15 0.44 0.44 -0.36 0.00 0.00 175.35 174.73 1bnr n ILE 109 N 6.35 0.00 -1.47 5.43 -5.35 -0.67 -5.00 119.36 118.65 1bnr n ILE 109 Ca 0.13 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1bnr n ILE 109 Cb 0.48 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33