#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 1.47 0.56 0.00 -0.21 -1.26 -5.12 119.66 115.10 1bnr s GLN 2 Ca 0.00 -0.30 -0.18 0.00 0.02 0.00 0.00 55.36 54.90 1bnr s GLN 2 Cb 0.00 -1.66 -0.05 0.00 1.00 0.00 0.00 33.01 32.30 1bnr s GLN 2 CO 0.00 -0.31 1.10 0.14 -2.12 0.00 0.00 175.29 174.11 1bnr s VAL 3 N 1.70 3.33 -0.66 1.09 -7.23 -1.26 -5.00 120.40 112.38 1bnr s VAL 3 Ca 0.04 0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 60.98 1bnr s VAL 3 Cb -0.13 -3.29 0.17 0.00 0.56 0.00 0.00 36.38 33.69 1bnr s VAL 3 CO -0.08 -0.24 0.47 -0.63 -0.31 0.00 0.00 175.10 174.32 1bnr s ILE 4 N -1.96 3.53 -0.35 -0.62 1.09 -1.26 -4.89 121.20 116.74 1bnr s ILE 4 Ca 0.70 -3.33 0.15 0.00 -1.10 0.00 0.00 60.65 57.07 1bnr s ILE 4 Cb -0.21 -3.30 0.45 0.00 -1.06 0.00 0.00 42.46 38.34 1bnr s ILE 4 CO 0.29 -0.91 1.00 -0.46 -0.10 0.00 0.00 174.94 174.76 1bnr n ASN 5 N 3.05 2.34 -1.23 3.58 6.94 -1.26 -4.61 115.26 124.07 1bnr n ASN 5 Ca 0.11 -2.96 0.00 0.00 -0.02 0.00 0.00 54.58 51.71 1bnr n ASN 5 Cb 0.36 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 -0.20 0.00 -0.05 5.53 -2.24 -1.26 -0.83 114.28 115.23 1bnr n THR 6 Ca 0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.95 1bnr n THR 6 Cb 0.78 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.99 0.00 0.00 4.78 0.04 -1.96 -2.65 116.94 118.14 1bnr h PHE 7 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1bnr h PHE 7 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1bnr h PHE 7 CO 0.00 0.04 -0.46 -0.44 -0.60 0.00 0.00 178.31 176.85 1bnr h ASP 8 N -1.00 0.00 0.08 2.17 5.19 -1.98 -1.27 116.42 119.61 1bnr h ASP 8 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1bnr h ASP 8 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1bnr h ASP 8 CO -0.00 0.46 -0.04 1.23 -3.12 0.00 0.00 179.24 177.77 1bnr h GLY 9 N 1.64 -0.11 0.68 2.75 0.00 -1.97 -0.19 103.07 105.88 1bnr h GLY 9 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1bnr h GLY 9 CO 0.06 -0.04 -0.01 -2.08 0.00 0.00 0.00 176.54 174.48 1bnr h VAL 10 N -0.52 1.28 -0.89 4.60 2.07 -1.45 -1.57 116.25 119.77 1bnr h VAL 10 Ca -0.01 -0.85 0.15 0.00 0.82 0.00 0.00 66.70 66.80 1bnr h VAL 10 Cb 0.44 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1bnr h VAL 10 CO 0.02 0.23 0.57 0.00 0.02 0.00 0.00 177.57 178.41 1bnr h ALA 11 N 0.67 1.86 0.48 1.67 0.00 -1.28 0.18 119.26 122.83 1bnr h ALA 11 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1bnr h ALA 11 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bnr h ALA 11 CO 0.00 -0.10 -0.23 -0.44 0.00 0.00 0.00 179.25 178.48 1bnr h ASP 12 N 0.67 -0.55 0.00 0.00 3.32 -0.65 -1.34 116.42 117.87 1bnr h ASP 12 Ca 0.45 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1bnr h ASP 12 Cb 0.75 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1bnr h ASP 12 CO -0.21 -0.27 0.00 0.22 -1.72 0.00 0.00 179.24 177.26 1bnr h TYR 13 N -0.81 0.00 0.12 4.55 5.03 -0.24 0.24 116.97 125.86 1bnr h TYR 13 Ca -0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1bnr h TYR 13 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1bnr h TYR 13 CO -0.01 0.00 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.70 1bnr h LEU 14 N 0.00 -0.14 0.00 2.82 3.38 0.27 -0.38 115.31 121.25 1bnr h LEU 14 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bnr h LEU 14 Cb 0.01 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 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 -3.83 0.08 -0.03 1.13 10.64 -0.60 0.78 117.38 125.55 1bnr n GLN 15 Ca -0.02 0.20 -0.02 0.00 -1.83 0.00 0.00 57.00 55.33 1bnr n GLN 15 Cb 0.07 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 27.94 1bnr n GLN 15 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1bnr n THR 16 N -1.42 0.62 1.31 -0.39 -1.04 0.82 -4.43 114.28 109.73 1bnr n THR 16 Ca 0.05 0.37 0.11 0.00 -2.04 0.00 0.00 64.05 62.55 1bnr n THR 16 Cb 0.16 -1.88 0.42 0.00 -1.82 0.00 0.00 70.33 67.21 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 -3.28 0.16 -4.19 -1.42 4.02 -0.16 -4.91 117.16 107.37 1bnr n TYR 17 Ca -0.04 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.90 57.45 1bnr n TYR 17 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.41 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 0.26 -1.54 0.00 -0.72 8.25 0.23 -4.87 115.22 116.83 1bnr n HIS 18 Ca 0.17 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1bnr n HIS 18 Cb 0.33 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.39 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 -4.40 0.00 -1.35 -0.41 2.85 -1.23 -5.04 118.16 108.59 1bnr n LYS 19 Ca -0.13 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.74 1bnr n LYS 19 Cb 0.60 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.01 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 -1.17 -4.43 -5.58 4.77 -1.26 -4.67 117.00 104.66 1bnr n LEU 20 Ca 0.00 0.67 -0.33 0.00 -0.03 0.00 0.00 56.01 56.33 1bnr n LEU 20 Cb 0.00 -1.04 0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1bnr n LEU 20 CO 0.00 -3.83 -0.03 -2.65 -1.33 0.00 0.00 177.39 169.54 1bnr n PRO 21 N 0.57 -0.31 0.00 3.23 -0.02 -1.26 -4.81 135.00 132.39 1bnr n PRO 21 Ca 0.10 -0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1bnr n PRO 21 Cb 0.48 -1.90 0.36 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.55 0.00 -0.73 2.55 9.92 -1.26 -1.69 116.55 123.79 1bnr n ASP 22 Ca 0.07 0.10 0.12 0.00 -0.53 0.00 0.00 54.79 54.55 1bnr n ASP 22 Cb 0.53 -0.29 0.33 0.00 -0.64 0.00 0.00 41.12 41.05 1bnr n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1bnr n ASN 23 N -1.29 2.21 -4.40 -2.24 6.94 -1.26 -4.72 115.26 110.50 1bnr n ASN 23 Ca 0.07 -1.77 -0.45 0.00 -0.02 0.00 0.00 54.58 52.41 1bnr n ASN 23 Cb 0.12 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.81 3.26 -0.23 -2.53 2.02 -0.68 -1.13 117.35 116.25 1bnr s TYR 24 Ca 0.34 -1.44 -0.10 0.00 -0.37 0.00 0.00 57.07 55.51 1bnr s TYR 24 Cb 0.20 -4.08 -0.05 0.00 -0.40 0.00 0.00 41.96 37.63 1bnr s TYR 24 CO 0.30 -1.30 0.14 0.96 -1.57 0.00 0.00 175.55 174.07 1bnr s ILE 25 N 1.99 5.20 0.99 2.71 -4.36 0.17 -4.49 121.20 123.41 1bnr s ILE 25 Ca 0.23 0.12 -0.19 0.00 -0.26 0.00 0.00 60.65 60.55 1bnr s ILE 25 Cb -0.11 -3.41 -0.00 0.00 1.25 0.00 0.00 42.46 40.18 1bnr s ILE 25 CO -0.05 0.36 -0.51 0.35 0.24 0.00 0.00 174.94 175.34 1bnr n THR 26 N 4.23 0.00 -0.08 8.37 -2.24 -1.23 -3.75 114.28 119.59 1bnr n THR 26 Ca -0.15 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1bnr n THR 26 Cb 0.52 -0.30 -0.05 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 -1.81 0.65 -0.98 -0.78 1.57 -1.91 -2.78 116.57 110.53 1bnr h LYS 27 Ca -0.37 -0.36 0.15 0.00 -1.87 0.00 0.00 60.65 58.20 1bnr h LYS 27 Cb 1.11 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.35 1bnr h LYS 27 CO 0.23 0.97 0.61 0.77 -0.57 0.00 0.00 179.45 181.46 1bnr h SER 28 N 0.36 0.80 -0.88 0.86 0.02 -1.97 0.32 113.55 113.06 1bnr h SER 28 Ca 0.03 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1bnr h SER 28 Cb 0.87 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1bnr h SER 28 CO 0.07 0.38 0.58 -0.33 -1.14 0.00 0.00 176.83 176.39 1bnr h GLU 29 N 0.84 1.14 -0.41 3.45 5.08 -1.80 -0.54 114.58 122.33 1bnr h GLU 29 Ca 0.51 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.73 1bnr h GLU 29 Cb 0.69 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1bnr h GLU 29 CO -0.28 0.75 -0.03 0.00 -1.00 0.00 0.00 179.01 178.45 1bnr h ALA 30 N 1.33 1.18 -0.51 3.43 0.00 -0.24 -1.86 119.26 122.59 1bnr h ALA 30 Ca 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bnr h ALA 30 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1bnr h ALA 30 CO -0.08 0.53 0.16 1.96 0.00 0.00 0.00 179.25 181.82 1bnr h GLN 31 N 0.63 0.76 -0.72 0.00 4.20 0.27 -1.09 115.11 119.17 1bnr h GLN 31 Ca 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bnr h GLN 31 Cb 0.44 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1bnr h GLN 31 CO 0.02 0.66 0.47 0.00 -0.67 0.00 0.00 178.83 179.31 1bnr h ALA 32 N 1.43 1.46 0.00 3.87 0.00 -0.35 -0.40 119.26 125.28 1bnr h ALA 32 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bnr h ALA 32 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bnr h ALA 32 CO -0.01 0.49 -0.07 1.28 0.00 0.00 0.00 179.25 180.94 1bnr n LEU 33 N -4.42 0.25 0.00 0.00 4.32 -0.69 -4.90 117.00 111.57 1bnr n LEU 33 Ca 0.08 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 1bnr n LEU 33 Cb 0.04 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1bnr n LEU 33 CO 0.36 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 1bnr n GLY 34 N 1.45 0.70 2.92 -0.72 0.00 -0.16 -4.88 105.19 104.49 1bnr n GLY 34 Ca 0.06 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.03 1.86 -0.41 1.61 -0.00 -0.50 -4.70 118.94 115.78 1bnr s TRP 35 Ca 0.00 -1.18 -0.21 0.00 -0.00 0.00 0.00 56.10 54.70 1bnr s TRP 35 Cb 0.00 -1.39 0.02 0.00 -0.00 0.00 0.00 33.47 32.09 1bnr s TRP 35 CO 0.00 -0.64 0.69 0.08 -0.00 0.00 0.00 176.95 177.08 1bnr s VAL 36 N 1.58 4.79 0.65 5.86 1.01 -1.26 -3.88 120.40 129.16 1bnr s VAL 36 Ca 0.01 0.43 0.27 0.00 0.00 0.00 0.00 61.98 62.69 1bnr s VAL 36 Cb -0.15 -4.19 0.28 0.00 0.00 0.00 0.00 36.38 32.32 1bnr s VAL 36 CO -0.08 -0.52 1.83 0.00 0.00 0.00 0.00 175.10 176.33 1bnr h ALA 37 N 8.72 1.53 0.00 5.51 0.00 -1.98 0.22 119.26 133.26 1bnr h ALA 37 Ca -0.25 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1bnr h ALA 37 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1bnr h ALA 37 CO 0.89 -0.46 -0.51 0.77 0.00 0.00 0.00 179.25 179.94 1bnr h SER 38 N 0.00 0.00 0.49 0.00 0.02 -2.06 -3.29 113.55 108.71 1bnr h SER 38 Ca 0.03 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1bnr h SER 38 Cb 0.88 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1bnr h SER 38 CO -0.00 1.20 0.00 0.29 -1.14 0.00 0.00 176.83 177.18 1bnr n LYS 39 N -4.54 0.13 -3.05 3.45 5.02 -0.30 -4.93 118.16 113.94 1bnr n LYS 39 Ca -0.19 0.43 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1bnr n LYS 39 Cb 0.56 -1.78 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.36 -1.01 2.68 0.72 0.00 -0.09 -4.88 105.19 102.26 1bnr n GLY 40 Ca 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 1.62 -1.64 0.18 1.61 2.04 -1.26 -4.37 115.26 113.43 1bnr n ASN 41 Ca -0.03 -2.32 -0.14 0.00 -0.44 0.00 0.00 54.58 51.64 1bnr n ASN 41 Cb 0.30 0.82 -0.08 0.00 -2.53 0.00 0.00 39.78 38.30 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 1.44 -0.37 -1.24 -4.53 5.85 -1.87 -0.26 115.31 114.33 1bnr h LEU 42 Ca -0.37 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1bnr h LEU 42 Cb 1.30 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1bnr h LEU 42 CO -0.13 -0.25 0.12 0.00 -0.34 0.00 0.00 178.44 177.84 1bnr n ALA 43 N -2.29 0.87 -0.09 1.25 0.00 -1.26 0.41 120.51 119.40 1bnr n ALA 43 Ca -0.09 0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 1bnr n ALA 43 Cb 0.19 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1bnr n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bnr h ASP 44 N 0.00 0.00 0.02 0.00 5.19 -1.48 -3.36 116.42 116.80 1bnr h ASP 44 Ca 0.00 -0.34 -0.26 0.00 -0.62 0.00 0.00 57.03 55.81 1bnr h ASP 44 Cb 0.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 1bnr h ASP 44 CO 0.00 1.17 -1.40 -0.37 -3.12 0.00 0.00 179.24 175.52 1bnr h VAL 45 N -1.00 0.86 -2.93 -1.35 -1.51 -0.90 -3.41 116.25 106.00 1bnr h VAL 45 Ca -0.19 -2.21 -0.64 0.00 -1.23 0.00 0.00 66.70 62.42 1bnr h VAL 45 Cb 0.96 2.27 -0.40 0.00 -2.13 0.00 0.00 31.29 31.99 1bnr h VAL 45 CO -0.12 0.42 -0.40 0.00 -1.23 0.00 0.00 177.57 176.25 1bnr n ALA 46 N -3.34 3.74 -0.78 5.19 0.00 0.17 -4.99 120.51 120.50 1bnr n ALA 46 Ca -0.32 -4.62 -0.31 0.00 0.00 0.00 0.00 53.44 48.19 1bnr n ALA 46 Cb 0.75 -1.22 0.16 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.75 1.16 -1.28 0.00 0.04 -1.04 -3.45 135.00 128.68 1bnr s PRO 47 Ca 0.29 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1bnr s PRO 47 Cb -0.00 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.82 1bnr s PRO 47 CO -0.11 -2.53 0.56 0.41 0.04 0.00 0.00 177.00 175.37 1bnr n GLY 48 N 0.17 -0.68 2.67 0.56 0.00 -1.26 -4.94 105.19 101.71 1bnr n GLY 48 Ca 0.12 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 -7.09 0.32 -0.03 1.61 -0.14 -1.22 -4.99 119.74 108.19 1bnr s LYS 49 Ca 0.36 -0.22 -0.20 0.00 -1.36 0.00 0.00 55.97 54.55 1bnr s LYS 49 Cb -0.18 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 33.98 1bnr s LYS 49 CO 0.95 -0.65 0.56 -1.12 -0.76 0.00 0.00 175.35 174.33 1bnr s SER 50 N 2.02 6.90 -0.41 2.83 0.01 -0.29 -4.87 113.70 119.88 1bnr s SER 50 Ca 0.01 1.07 -0.21 0.00 1.31 0.00 0.00 55.95 58.13 1bnr s SER 50 Cb -0.16 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1bnr s SER 50 CO -0.08 0.08 0.66 -0.63 0.41 0.00 0.00 173.24 173.68 1bnr s ILE 51 N -0.01 4.82 0.25 1.44 -1.09 -1.25 0.41 121.20 125.77 1bnr s ILE 51 Ca 0.30 0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 58.85 1bnr s ILE 51 Cb -0.17 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1bnr s ILE 51 CO 0.15 -0.53 0.59 -0.83 -1.23 0.00 0.00 174.94 173.10 1bnr s GLY 52 N 1.96 0.17 0.00 6.18 0.00 -1.25 -0.39 107.32 113.99 1bnr s GLY 52 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1bnr s GLY 52 CO 0.18 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.55 1bnr n GLY 53 N -0.41 0.86 3.76 0.20 0.00 -0.51 -3.49 105.19 105.60 1bnr n GLY 53 Ca -0.04 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.07 5.58 0.63 1.61 1.01 -1.21 -4.89 116.67 117.33 1bnr s ASP 54 Ca 0.00 0.15 -0.17 0.00 0.71 0.00 0.00 52.55 53.24 1bnr s ASP 54 Cb 0.00 -1.60 -0.11 0.00 1.01 0.00 0.00 42.92 42.22 1bnr s ASP 54 CO 0.00 0.30 0.07 -0.38 0.21 0.00 0.00 175.17 175.37 1bnr n ILE 55 N 1.46 0.86 -3.39 0.77 5.41 -1.26 -1.40 119.36 121.81 1bnr n ILE 55 Ca -0.15 -0.48 -0.38 0.00 1.00 0.00 0.00 62.75 62.75 1bnr n ILE 55 Cb 0.53 -0.31 -0.06 0.00 -0.71 0.00 0.00 39.64 39.09 1bnr n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1bnr s PHE 56 N -1.92 3.60 0.00 1.39 5.36 -0.19 -4.42 117.98 121.80 1bnr s PHE 56 Ca 0.59 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1bnr s PHE 56 Cb -0.41 -2.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1bnr s PHE 56 CO 0.64 0.36 0.27 0.43 -1.46 0.00 0.00 175.22 175.46 1bnr n SER 57 N 2.89 0.00 -0.48 6.13 7.64 -1.26 -4.79 113.62 123.76 1bnr n SER 57 Ca -0.10 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.05 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 -0.47 -1.92 -0.03 6.43 2.85 -1.26 -4.98 115.26 115.87 1bnr n ASN 58 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1bnr n ASN 58 Cb 0.00 -0.48 -0.08 0.00 1.24 0.00 0.00 39.78 40.46 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 0.00 0.18 0.02 1.20 2.43 -1.99 -3.31 114.38 112.91 1bnr h ARG 59 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1bnr h ARG 59 Cb 0.97 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1bnr h ARG 59 CO 0.00 0.52 -0.01 1.49 -1.51 0.00 0.00 179.97 180.46 1bnr h GLU 60 N -0.16 -0.02 0.00 0.20 4.57 -1.96 -3.49 114.58 113.72 1bnr h GLU 60 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1bnr h GLU 60 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1bnr h GLU 60 CO 0.01 0.74 0.00 0.41 -1.18 0.00 0.00 179.01 178.99 1bnr n GLY 61 N 1.19 0.78 0.21 1.92 0.00 -1.25 -5.03 105.19 103.02 1bnr n GLY 61 Ca -0.09 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 1.06 -3.41 1.61 4.01 -1.26 -4.93 118.16 115.24 1bnr n LYS 62 Ca 0.00 -0.44 -0.38 0.00 -0.51 0.00 0.00 58.31 56.98 1bnr n LYS 62 Cb 0.00 -1.40 -0.06 0.00 -0.51 0.00 0.00 35.03 33.06 1bnr n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bnr s LEU 63 N -2.62 4.48 -0.98 -0.35 1.43 -1.26 -4.96 118.68 114.43 1bnr s LEU 63 Ca 0.12 1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 54.03 1bnr s LEU 63 Cb 0.15 -2.78 -0.18 0.00 0.03 0.00 0.00 46.19 43.41 1bnr s LEU 63 CO 0.65 0.28 2.20 -2.84 0.23 0.00 0.00 176.35 176.87 1bnr s PRO 64 N -1.21 1.48 0.32 1.29 0.02 -1.26 -4.90 135.00 130.73 1bnr s PRO 64 Ca 0.27 -0.14 0.08 0.00 0.02 0.00 0.00 61.00 61.23 1bnr s PRO 64 Cb -0.17 -4.93 -0.03 0.00 0.02 0.00 0.00 34.50 29.38 1bnr s PRO 64 CO 0.16 -4.93 0.24 0.20 -0.33 0.00 0.00 177.00 172.33 1bnr s GLY 65 N 9.22 1.77 0.41 0.52 0.00 -1.26 -5.10 107.32 112.87 1bnr s GLY 65 Ca 0.84 -1.67 0.07 0.00 0.00 0.00 0.00 44.72 43.97 1bnr s GLY 65 CO 0.13 -1.61 0.03 0.54 0.00 0.00 0.00 173.10 172.19 1bnr s LYS 66 N -3.93 2.00 -0.50 2.90 1.02 -1.26 -5.01 119.74 114.96 1bnr s LYS 66 Ca 0.39 -2.06 -0.28 0.00 0.02 0.00 0.00 55.97 54.04 1bnr s LYS 66 Cb -0.05 -1.70 -0.09 0.00 -0.52 0.00 0.00 37.83 35.46 1bnr s LYS 66 CO 0.25 -0.05 2.39 0.43 -0.92 0.00 0.00 175.35 177.45 1bnr n SER 67 N -1.01 2.15 -0.70 2.83 7.64 -1.26 -1.79 113.62 121.49 1bnr n SER 67 Ca -0.04 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1bnr n SER 67 Cb 0.66 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1bnr n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bnr n GLY 68 N 6.12 0.58 3.34 0.23 0.00 -1.26 -5.10 105.19 109.10 1bnr n GLY 68 Ca 0.41 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.23 1.31 0.37 1.61 3.52 -0.74 -5.16 118.95 117.63 1bnr s ARG 69 Ca 0.00 -1.55 0.06 0.00 -0.13 0.00 0.00 55.73 54.10 1bnr s ARG 69 Cb 0.00 -1.13 -0.07 0.00 -1.56 0.00 0.00 34.95 32.19 1bnr s ARG 69 CO 0.00 0.19 0.03 0.99 -0.81 0.00 0.00 175.30 175.71 1bnr s THR 70 N -2.83 1.64 0.03 4.11 2.01 -1.26 -4.85 115.64 114.49 1bnr s THR 70 Ca 0.21 -2.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.21 1bnr s THR 70 Cb -0.01 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1bnr s THR 70 CO 0.07 0.00 -0.03 0.26 -0.69 0.00 0.00 174.62 174.22 1bnr s TRP 71 N -2.97 0.31 -0.07 4.92 0.52 -1.26 -4.69 118.94 115.70 1bnr s TRP 71 Ca 0.36 -0.60 0.01 0.00 0.02 0.00 0.00 56.10 55.89 1bnr s TRP 71 Cb 0.09 -0.23 -0.03 0.00 -1.15 0.00 0.00 33.47 32.16 1bnr s TRP 71 CO 0.17 -0.21 -0.07 1.03 0.02 0.00 0.00 176.95 177.89 1bnr s ARG 72 N -1.77 2.80 0.25 4.98 3.00 -0.32 -1.02 118.95 126.86 1bnr s ARG 72 Ca -0.13 -0.56 0.11 0.00 0.00 0.00 0.00 55.73 55.15 1bnr s ARG 72 Cb -0.08 -2.59 -0.05 0.00 0.00 0.00 0.00 34.95 32.23 1bnr s ARG 72 CO -0.02 0.63 -0.15 -1.83 0.00 0.00 0.00 175.30 173.92 1bnr s GLU 73 N -0.71 1.83 0.02 3.54 4.04 -0.49 -0.42 118.70 126.51 1bnr s GLU 73 Ca 0.11 -1.58 -0.12 0.00 0.04 0.00 0.00 54.97 53.42 1bnr s GLU 73 Cb -0.11 -1.92 0.01 0.00 0.02 0.00 0.00 34.13 32.13 1bnr s GLU 73 CO 0.02 0.36 0.24 0.00 -1.84 0.00 0.00 175.26 174.04 1bnr s ALA 74 N -2.21 -0.54 0.33 -0.84 0.00 -0.09 -1.42 121.76 116.98 1bnr s ALA 74 Ca 0.28 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 1bnr s ALA 74 Cb -0.06 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.18 1bnr s ALA 74 CO 0.15 -0.33 1.06 -0.51 0.00 0.00 0.00 175.76 176.13 1bnr s ASP 75 N -1.80 7.09 -0.09 0.00 1.01 0.48 -1.43 116.67 121.93 1bnr s ASP 75 Ca -0.09 2.13 -0.00 0.00 0.71 0.00 0.00 52.55 55.30 1bnr s ASP 75 Cb -0.03 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1bnr s ASP 75 CO -0.01 -0.26 -0.06 -0.63 0.21 0.00 0.00 175.17 174.42 1bnr s ILE 76 N -1.38 0.86 0.06 0.77 -1.09 -0.25 -4.73 121.20 115.43 1bnr s ILE 76 Ca 0.50 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 1bnr s ILE 76 Cb -0.27 -0.89 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 1bnr s ILE 76 CO 0.34 0.33 0.00 0.59 -1.23 0.00 0.00 174.94 174.97 1bnr n ASN 77 N 4.81 -5.12 -3.59 3.58 4.13 -0.01 -4.25 115.26 114.81 1bnr n ASN 77 Ca -0.13 0.68 -0.01 0.00 1.68 0.00 0.00 54.58 56.80 1bnr n ASN 77 Cb 0.50 -2.79 -0.06 0.00 -1.54 0.00 0.00 39.78 35.90 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 -0.24 -0.53 0.00 3.10 5.04 -1.26 -4.67 117.35 118.79 1bnr s TYR 78 Ca 0.00 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1bnr s TYR 78 Cb 0.00 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1bnr s TYR 78 CO 0.00 -0.26 0.00 0.25 -1.34 0.00 0.00 175.55 174.20 1bnr n THR 79 N 3.91 0.00 -2.01 4.34 -2.24 -1.26 -5.08 114.28 111.94 1bnr n THR 79 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1bnr n THR 79 Cb 0.56 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.79 0.00 -0.95 3.42 7.64 -1.26 -4.87 113.62 115.81 1bnr n SER 80 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1bnr n SER 80 Cb 0.37 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.24 -2.07 3.29 0.23 0.00 -1.26 -4.78 105.19 100.36 1bnr n GLY 81 Ca 0.00 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.43 -2.44 -0.77 1.61 3.72 -1.26 -4.74 117.46 110.14 1bnr n PHE 82 Ca -0.01 0.36 -0.31 0.00 -0.05 0.00 0.00 57.45 57.44 1bnr n PHE 82 Cb 0.44 -1.74 0.11 0.00 -0.94 0.00 0.00 39.48 37.35 1bnr n PHE 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1bnr n ARG 83 N 0.93 -1.05 -2.40 -1.08 1.74 -1.26 -5.00 116.66 108.54 1bnr n ARG 83 Ca 0.08 -0.30 -0.12 0.00 -0.77 0.00 0.00 57.85 56.74 1bnr n ARG 83 Cb 0.49 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 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 0.53 1.56 -0.77 0.55 6.94 -1.26 -5.03 115.26 117.78 1bnr n ASN 84 Ca 0.00 -1.86 0.08 0.00 -0.02 0.00 0.00 54.58 52.78 1bnr n ASN 84 Cb 0.59 -0.09 0.13 0.00 -2.36 0.00 0.00 39.78 38.06 1bnr n ASN 84 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1bnr n SER 85 N -2.19 2.76 -4.72 0.53 7.64 -1.26 -4.93 113.62 111.45 1bnr n SER 85 Ca 0.02 -1.81 -0.37 0.00 1.01 0.00 0.00 58.87 57.73 1bnr n SER 85 Cb 0.30 -0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.22 6.44 0.37 6.43 1.11 -1.26 0.11 116.67 128.64 1bnr s ASP 86 Ca 0.25 0.51 -0.10 0.00 0.18 0.00 0.00 52.55 53.39 1bnr s ASP 86 Cb 0.15 -2.19 0.03 0.00 1.07 0.00 0.00 42.92 41.98 1bnr s ASP 86 CO 0.22 0.08 0.65 -0.13 1.18 0.00 0.00 175.17 177.16 1bnr s ARG 87 N 0.57 2.09 0.05 8.23 0.52 -0.63 -1.09 118.95 128.69 1bnr s ARG 87 Ca 0.17 -1.58 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 1bnr s ARG 87 Cb -0.13 0.55 -0.03 0.00 0.52 0.00 0.00 34.95 35.86 1bnr s ARG 87 CO 0.04 -0.93 -0.09 -1.50 0.02 0.00 0.00 175.30 172.85 1bnr s ILE 88 N -2.67 0.64 -0.26 1.52 2.07 -0.51 -1.38 121.20 120.61 1bnr s ILE 88 Ca 0.22 -1.19 0.02 0.00 -1.41 0.00 0.00 60.65 58.29 1bnr s ILE 88 Cb -0.03 -0.77 0.06 0.00 0.13 0.00 0.00 42.46 41.85 1bnr s ILE 88 CO 0.15 -0.41 -0.08 -0.76 -1.91 0.00 0.00 174.94 171.93 1bnr s LEU 89 N -1.74 3.26 -0.11 8.50 2.01 -0.38 -0.92 118.68 129.30 1bnr s LEU 89 Ca -0.07 -1.37 -0.04 0.00 0.01 0.00 0.00 54.13 52.66 1bnr s LEU 89 Cb -0.09 -1.44 -0.04 0.00 0.01 0.00 0.00 46.19 44.63 1bnr s LEU 89 CO 0.00 -0.21 0.05 -0.72 1.01 0.00 0.00 176.35 176.48 1bnr s TYR 90 N 1.18 3.30 0.48 0.29 1.13 0.44 -1.50 117.35 122.67 1bnr s TYR 90 Ca -0.07 0.28 0.07 0.00 -1.41 0.00 0.00 57.07 55.94 1bnr s TYR 90 Cb -0.20 -1.86 0.01 0.00 -1.10 0.00 0.00 41.96 38.81 1bnr s TYR 90 CO -0.06 0.51 0.44 -1.12 -2.51 0.00 0.00 175.55 172.82 1bnr s SER 91 N -0.79 4.88 0.53 -0.18 0.01 -0.03 -1.17 113.70 116.96 1bnr s SER 91 Ca 0.13 -0.95 0.29 0.00 1.31 0.00 0.00 55.95 56.72 1bnr s SER 91 Cb -0.12 -0.09 1.50 0.00 0.21 0.00 0.00 66.02 67.52 1bnr s SER 91 CO 0.03 -0.91 2.08 0.77 0.41 0.00 0.00 173.24 175.61 1bnr h SER 92 N 0.82 0.00 -0.30 2.44 4.64 -1.91 -0.37 113.55 118.88 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 0.55 0.10 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 1bnr n ASP 93 N -3.53 3.07 -1.61 4.97 5.75 -1.26 -4.84 116.55 119.10 1bnr n ASP 93 Ca -0.02 -2.37 -0.14 0.00 -0.01 0.00 0.00 54.79 52.25 1bnr n ASP 93 Cb 0.24 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.35 -0.65 -2.66 2.11 5.03 -0.15 -4.95 117.44 116.53 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 0.64 -3.02 -0.02 0.00 -1.03 0.00 0.00 31.31 27.88 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 -4.07 3.80 -0.33 -0.99 1.43 -1.24 -4.76 118.68 112.52 1bnr s LEU 95 Ca 0.00 0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1bnr s LEU 95 Cb 0.00 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.78 1bnr s LEU 95 CO 0.00 -1.07 0.10 -0.63 0.23 0.00 0.00 176.35 174.97 1bnr s ILE 96 N 4.03 3.79 -0.27 -0.59 1.01 -1.26 -0.85 121.20 127.06 1bnr s ILE 96 Ca 0.45 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1bnr s ILE 96 Cb -0.09 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.30 1bnr s ILE 96 CO 0.25 -0.13 -0.02 -0.31 0.00 0.00 0.00 174.94 174.73 1bnr s TYR 97 N 1.42 3.14 -0.03 3.97 1.51 -0.56 -1.48 117.35 125.31 1bnr s TYR 97 Ca -0.01 -1.56 -0.20 0.00 -1.01 0.00 0.00 57.07 54.29 1bnr s TYR 97 Cb -0.19 -2.11 -0.05 0.00 -0.11 0.00 0.00 41.96 39.50 1bnr s TYR 97 CO 0.03 -0.73 0.58 -1.59 -1.11 0.00 0.00 175.55 172.72 1bnr s LYS 98 N 1.33 4.31 -0.12 -0.62 -2.85 -0.44 -1.25 119.74 120.11 1bnr s LYS 98 Ca -0.01 0.68 0.02 0.00 -1.00 0.00 0.00 55.97 55.66 1bnr s LYS 98 Cb -0.18 -3.36 -0.01 0.00 -2.06 0.00 0.00 37.83 32.22 1bnr s LYS 98 CO -0.02 0.31 -0.18 -0.08 0.10 0.00 0.00 175.35 175.48 1bnr s THR 99 N 0.02 2.54 -0.28 3.79 -1.32 -0.48 -1.25 115.64 118.66 1bnr s THR 99 Ca 0.30 -0.84 0.10 0.00 -1.21 0.00 0.00 61.69 60.04 1bnr s THR 99 Cb -0.17 -2.03 0.51 0.00 -1.51 0.00 0.00 72.50 69.30 1bnr s THR 99 CO 0.16 0.54 1.47 0.35 -2.21 0.00 0.00 174.62 174.93 1bnr n THR 100 N 3.64 2.53 -2.05 5.08 -2.24 -1.26 -1.60 114.28 118.38 1bnr n THR 100 Ca -0.19 -2.60 -0.00 0.00 -2.27 0.00 0.00 64.05 58.99 1bnr n THR 100 Cb 0.53 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.05 -0.00 -1.69 3.42 5.68 -1.21 -4.75 116.55 116.95 1bnr n ASP 101 Ca 0.32 -1.60 -0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1bnr n ASP 101 Cb 1.03 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 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 0.05 -0.38 -1.43 2.11 -0.00 0.12 -3.63 115.22 112.06 1bnr n HIS 102 Ca -0.02 0.14 -0.11 0.00 -0.00 0.00 0.00 57.72 57.73 1bnr n HIS 102 Cb 0.67 -1.82 -0.04 0.00 -0.00 0.00 0.00 29.99 28.79 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 -0.55 0.33 1.57 4.01 -1.26 -4.72 117.16 115.52 1bnr n TYR 103 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1bnr n TYR 103 Cb 0.45 -2.37 0.06 0.00 -0.31 0.00 0.00 39.34 37.17 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 -1.84 0.45 -3.99 -0.72 1.13 -1.24 -4.92 117.38 106.25 1bnr n GLN 104 Ca -0.11 0.08 -0.08 0.00 -1.94 0.00 0.00 57.00 54.95 1bnr n GLN 104 Cb 0.39 -1.74 -0.08 0.00 0.11 0.00 0.00 30.24 28.92 1bnr n GLN 104 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1bnr s THR 105 N -3.27 0.15 -0.16 5.09 -1.32 -1.26 -4.99 115.64 109.88 1bnr s THR 105 Ca 0.02 -1.52 -0.05 0.00 -1.21 0.00 0.00 61.69 58.93 1bnr s THR 105 Cb 0.12 -1.57 0.08 0.00 -1.51 0.00 0.00 72.50 69.61 1bnr s THR 105 CO 0.77 -0.69 0.32 -0.36 -2.21 0.00 0.00 174.62 172.45 1bnr s PHE 106 N -3.92 -0.56 -0.20 9.09 0.08 -1.25 -3.93 117.98 117.29 1bnr s PHE 106 Ca 0.10 1.15 -0.05 0.00 0.12 0.00 0.00 56.93 58.26 1bnr s PHE 106 Cb 0.06 0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.57 1bnr s PHE 106 CO -0.07 -0.41 -0.01 0.99 -0.10 0.00 0.00 175.22 175.62 1bnr s THR 107 N 2.49 3.88 -0.70 0.64 2.01 -0.38 -4.81 115.64 118.76 1bnr s THR 107 Ca 0.00 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.39 1bnr s THR 107 Cb -0.12 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.67 1bnr s THR 107 CO -0.10 0.43 1.30 -0.75 -0.69 0.00 0.00 174.62 174.81 1bnr s LYS 108 N 0.97 3.22 -0.18 4.92 2.20 -1.26 -1.33 119.74 128.29 1bnr s LYS 108 Ca 0.01 -0.10 0.16 0.00 -0.36 0.00 0.00 55.97 55.68 1bnr s LYS 108 Cb -0.14 -4.16 0.67 0.00 -1.51 0.00 0.00 37.83 32.68 1bnr s LYS 108 CO 0.02 -2.10 1.58 0.44 -0.36 0.00 0.00 175.35 174.93 1bnr n ILE 109 N 6.48 2.29 0.00 5.43 -5.35 -0.55 -5.02 119.36 122.64 1bnr n ILE 109 Ca 0.05 -1.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 1bnr n ILE 109 Cb 0.49 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1bnr n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33