#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1x s GLN 2 N 0.00 4.19 -0.01 0.00 -0.21 -1.26 -5.07 119.66 117.29 1x1x s GLN 2 Ca 0.00 0.20 -0.00 0.00 0.02 0.00 0.00 55.36 55.57 1x1x s GLN 2 Cb 0.00 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.50 1x1x s GLN 2 CO 0.00 -0.01 0.02 0.08 -2.12 0.00 0.00 175.29 173.27 1x1x s VAL 3 N 1.21 -0.02 -0.23 1.09 1.01 -1.26 -4.40 120.40 117.79 1x1x s VAL 3 Ca 0.19 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1x1x s VAL 3 Cb -0.15 -0.05 0.09 0.00 0.00 0.00 0.00 36.38 36.28 1x1x s VAL 3 CO 0.08 0.02 0.18 -0.63 0.00 0.00 0.00 175.10 174.75 1x1x s ILE 4 N 0.29 -0.21 -0.02 2.22 -1.09 -1.26 -5.03 121.20 116.10 1x1x s ILE 4 Ca -0.02 -0.37 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 1x1x s ILE 4 Cb -0.03 -0.79 0.05 0.00 -1.58 0.00 0.00 42.46 40.10 1x1x s ILE 4 CO -0.01 -0.42 0.88 -0.46 -1.23 0.00 0.00 174.94 173.70 1x1x n ASN 5 N 5.29 0.60 -4.94 3.58 2.04 -1.26 -4.76 115.26 115.81 1x1x n ASN 5 Ca -0.05 -1.89 -0.24 0.00 -0.44 0.00 0.00 54.58 51.96 1x1x n ASN 5 Cb 0.47 -0.16 -0.00 0.00 -2.53 0.00 0.00 39.78 37.56 1x1x n ASN 5 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1x1x s THR 6 N -0.58 4.65 0.10 5.53 -4.23 -1.26 -0.07 115.64 119.78 1x1x s THR 6 Ca 0.05 -0.41 -0.24 0.00 -1.18 0.00 0.00 61.69 59.91 1x1x s THR 6 Cb 0.05 -3.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.06 1x1x s THR 6 CO 0.00 -0.50 1.70 -0.26 -0.54 0.00 0.00 174.62 175.02 1x1x h PHE 7 N 0.56 -0.26 -0.20 3.99 0.04 -1.98 0.19 116.94 119.27 1x1x h PHE 7 Ca -0.48 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.23 1x1x h PHE 7 Cb 1.23 0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.48 1x1x h PHE 7 CO 0.49 -0.16 -0.11 -0.44 -0.60 0.00 0.00 178.31 177.49 1x1x h ASP 8 N -0.21 0.45 -0.47 2.17 3.32 -1.98 -0.38 116.42 119.33 1x1x h ASP 8 Ca 0.01 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.71 1x1x h ASP 8 Cb 0.22 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1x1x h ASP 8 CO -0.05 0.78 0.15 1.23 -1.72 0.00 0.00 179.24 179.63 1x1x h GLY 9 N 0.13 0.61 1.69 2.75 0.00 -1.94 0.26 103.07 106.57 1x1x h GLY 9 Ca 0.04 -0.08 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1x1x h GLY 9 CO 0.03 0.00 -0.94 -2.08 0.00 0.00 0.00 176.54 173.55 1x1x h VAL 10 N 0.32 1.47 -0.25 4.60 2.07 -0.97 -2.22 116.25 121.27 1x1x h VAL 10 Ca 0.23 -2.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 1x1x h VAL 10 Cb 0.24 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1x1x h VAL 10 CO -0.24 0.77 0.01 0.00 0.02 0.00 0.00 177.57 178.13 1x1x h ALA 11 N 0.85 0.33 -0.68 1.67 0.00 -0.71 0.20 119.26 120.92 1x1x h ALA 11 Ca -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1x1x h ALA 11 Cb 1.59 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1x1x h ALA 11 CO 0.15 0.05 0.27 -0.44 0.00 0.00 0.00 179.25 179.28 1x1x h ASP 12 N 0.21 0.92 -0.44 0.00 3.32 -0.52 -1.03 116.42 118.89 1x1x h ASP 12 Ca 0.07 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 1x1x h ASP 12 Cb 0.39 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1x1x h ASP 12 CO 0.01 0.82 -0.13 0.22 -1.72 0.00 0.00 179.24 178.44 1x1x h TYR 13 N 0.99 0.98 -0.40 4.55 5.03 -1.14 0.54 116.97 127.50 1x1x h TYR 13 Ca 0.23 -0.22 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 1x1x h TYR 13 Cb 0.19 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 1x1x h TYR 13 CO 0.02 0.98 0.05 -0.07 -1.32 0.00 0.00 178.16 177.82 1x1x h LEU 14 N 0.70 0.58 0.00 2.82 3.38 -0.24 0.30 115.31 122.84 1x1x h LEU 14 Ca 0.11 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 1x1x h LEU 14 Cb 0.68 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1x1x h LEU 14 CO 0.05 0.61 -1.51 1.56 0.09 0.00 0.00 178.44 179.24 1x1x h GLN 15 N 0.60 0.00 0.16 1.13 4.20 -0.95 -1.17 115.11 119.07 1x1x h GLN 15 Ca 0.13 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 1x1x h GLN 15 Cb 0.30 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.10 1x1x h GLN 15 CO 0.00 0.56 -0.90 1.15 -0.67 0.00 0.00 178.83 178.97 1x1x h THR 16 N 0.00 1.49 -0.13 -0.54 2.02 0.20 -3.39 112.91 112.56 1x1x h THR 16 Ca -0.21 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1x1x h THR 16 Cb 1.90 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 71.49 1x1x h THR 16 CO 0.08 0.73 0.00 -1.22 0.37 0.00 0.00 175.52 175.48 1x1x n TYR 17 N -4.07 0.16 -4.05 3.16 4.01 0.10 -5.03 117.16 111.44 1x1x n TYR 17 Ca -0.14 -0.22 -0.28 0.00 -0.16 0.00 0.00 57.90 57.09 1x1x n TYR 17 Cb 0.86 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.83 1x1x n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1x n HIS 18 N 0.42 -1.53 -3.63 -0.72 8.25 -0.44 -4.93 115.22 112.63 1x1x n HIS 18 Ca 0.07 0.67 -0.02 0.00 -0.26 0.00 0.00 57.72 58.18 1x1x n HIS 18 Cb 0.30 -3.42 -0.02 0.00 1.12 0.00 0.00 29.99 27.97 1x1x n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1x s LYS 19 N -6.81 0.06 0.39 -0.41 -2.85 -1.25 -5.05 119.74 103.82 1x1x s LYS 19 Ca 0.04 -0.02 -0.23 0.00 -1.00 0.00 0.00 55.97 54.76 1x1x s LYS 19 Cb -0.02 0.03 -0.11 0.00 -2.06 0.00 0.00 37.83 35.67 1x1x s LYS 19 CO 0.92 -0.03 0.95 -0.51 0.10 0.00 0.00 175.35 176.79 1x1x s LEU 20 N -2.14 4.09 1.06 2.77 1.43 -1.26 -4.00 118.68 120.64 1x1x s LEU 20 Ca 0.12 1.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 1x1x s LEU 20 Cb -0.00 -4.34 0.16 0.00 0.03 0.00 0.00 46.19 42.04 1x1x s LEU 20 CO -0.03 -0.26 0.66 -2.65 0.23 0.00 0.00 176.35 174.30 1x1x n PRO 21 N -0.19 -1.36 0.00 1.29 -0.02 -1.26 -4.87 135.00 128.58 1x1x n PRO 21 Ca 0.05 -0.36 0.09 0.00 -2.02 0.00 0.00 63.50 61.26 1x1x n PRO 21 Cb 0.52 -2.03 0.38 0.00 -0.02 0.00 0.00 33.50 32.36 1x1x n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1x1x n ASP 22 N -3.20 0.00 -0.35 2.55 10.43 -1.26 -3.06 116.55 121.67 1x1x n ASP 22 Ca 0.05 0.48 0.01 0.00 2.57 0.00 0.00 54.79 57.91 1x1x n ASP 22 Cb 0.56 -0.49 0.04 0.00 1.84 0.00 0.00 41.12 43.06 1x1x n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1x1x n ASN 23 N -1.49 0.85 -4.43 -2.24 6.94 -1.26 -4.81 115.26 108.82 1x1x n ASN 23 Ca 0.04 -2.04 -0.33 0.00 -0.02 0.00 0.00 54.58 52.24 1x1x n ASN 23 Cb 0.21 -0.25 -0.14 0.00 -2.36 0.00 0.00 39.78 37.24 1x1x n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1x s TYR 24 N -1.60 2.77 0.01 -2.53 2.02 -1.17 -0.67 117.35 116.18 1x1x s TYR 24 Ca 0.05 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1x1x s TYR 24 Cb 0.03 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1x1x s TYR 24 CO 0.03 -0.01 -0.04 0.96 -1.57 0.00 0.00 175.55 174.92 1x1x s ILE 25 N -0.18 0.28 0.94 2.71 -4.36 -0.60 -4.90 121.20 115.10 1x1x s ILE 25 Ca 0.00 -0.51 -0.12 0.00 -0.26 0.00 0.00 60.65 59.77 1x1x s ILE 25 Cb -0.13 -0.31 0.15 0.00 1.25 0.00 0.00 42.46 43.42 1x1x s ILE 25 CO 0.03 -0.15 1.09 0.42 0.24 0.00 0.00 174.94 176.57 1x1x s THR 26 N -0.66 2.46 0.31 8.37 -4.23 -1.19 -1.23 115.64 119.48 1x1x s THR 26 Ca -0.05 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1x1x s THR 26 Cb -0.05 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.39 1x1x s THR 26 CO -0.00 -0.20 1.89 0.11 -0.54 0.00 0.00 174.62 175.89 1x1x h LYS 27 N -1.72 0.78 0.07 3.99 1.57 -1.96 -0.25 116.57 119.06 1x1x h LYS 27 Ca -0.51 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1x1x h LYS 27 Cb 1.30 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1x1x h LYS 27 CO 0.54 0.65 -0.03 1.03 -0.57 0.00 0.00 179.45 181.07 1x1x h SER 28 N 0.77 -0.08 -0.51 0.86 0.87 -1.99 0.57 113.55 114.02 1x1x h SER 28 Ca 0.18 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1x1x h SER 28 Cb 0.17 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1x1x h SER 28 CO -0.01 0.06 0.16 -0.33 -0.53 0.00 0.00 176.83 176.18 1x1x h GLU 29 N -0.22 0.85 -0.51 2.24 5.08 -1.85 -1.56 114.58 118.60 1x1x h GLU 29 Ca -0.01 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1x1x h GLU 29 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1x1x h GLU 29 CO 0.02 0.75 -0.10 0.00 -1.00 0.00 0.00 179.01 178.68 1x1x h ALA 30 N 1.35 0.86 -0.17 3.43 0.00 -0.79 -2.61 119.26 121.33 1x1x h ALA 30 Ca 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1x1x h ALA 30 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x1x h ALA 30 CO -0.01 0.65 0.00 1.96 0.00 0.00 0.00 179.25 181.86 1x1x h GLN 31 N 0.85 0.30 -0.66 0.00 4.20 -0.50 -0.76 115.11 118.54 1x1x h GLN 31 Ca 0.14 -0.09 0.19 0.00 0.06 0.00 0.00 58.65 58.95 1x1x h GLN 31 Cb 0.63 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1x1x h GLN 31 CO 0.04 0.51 0.52 0.00 -0.67 0.00 0.00 178.83 179.23 1x1x h ALA 32 N 0.78 2.55 -0.01 3.87 0.00 -1.19 1.05 119.26 126.31 1x1x h ALA 32 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x1x h ALA 32 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x1x h ALA 32 CO 0.01 -0.86 -0.01 1.28 0.00 0.00 0.00 179.25 179.66 1x1x n LEU 33 N -4.13 0.83 0.00 0.00 4.77 -0.90 -4.90 117.00 112.68 1x1x n LEU 33 Ca 0.13 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1x1x n LEU 33 Cb 0.78 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1x1x n LEU 33 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1x1x n GLY 34 N 1.11 1.07 3.73 -0.72 0.00 0.36 -4.79 105.19 105.95 1x1x n GLY 34 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1x1x n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1x s TRP 35 N -2.00 3.61 -0.24 1.61 -0.00 -0.34 -4.91 118.94 116.67 1x1x s TRP 35 Ca 0.00 1.59 -0.01 0.00 -0.00 0.00 0.00 56.10 57.68 1x1x s TRP 35 Cb 0.00 -3.24 0.07 0.00 -0.00 0.00 0.00 33.47 30.31 1x1x s TRP 35 CO 0.00 -0.50 0.03 0.08 -0.00 0.00 0.00 176.95 176.56 1x1x s VAL 36 N 0.31 1.00 0.24 5.86 1.01 -1.26 -4.43 120.40 123.13 1x1x s VAL 36 Ca 0.51 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1x1x s VAL 36 Cb -0.27 -1.51 0.31 0.00 0.00 0.00 0.00 36.38 34.91 1x1x s VAL 36 CO 0.31 -0.32 1.57 0.00 0.00 0.00 0.00 175.10 176.66 1x1x h ALA 37 N 8.09 0.35 0.00 5.51 0.00 -1.99 0.78 119.26 131.99 1x1x h ALA 37 Ca -0.15 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x1x h ALA 37 Cb 1.07 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1x1x h ALA 37 CO 0.40 -0.52 0.00 0.66 0.00 0.00 0.00 179.25 179.80 1x1x h SER 38 N -0.02 0.00 0.65 0.00 4.64 -2.02 -0.45 113.55 116.35 1x1x h SER 38 Ca 0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.56 1x1x h SER 38 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1x1x h SER 38 CO -0.92 0.00 -1.45 0.29 -0.87 0.00 0.00 176.83 173.88 1x1x n LYS 39 N -2.53 0.63 -3.48 4.77 5.02 0.23 -4.97 118.16 117.83 1x1x n LYS 39 Ca -0.01 0.15 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 1x1x n LYS 39 Cb 0.08 -1.77 0.08 0.00 -0.02 0.00 0.00 35.03 33.40 1x1x n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1x n GLY 40 N 1.36 -0.43 1.40 0.72 0.00 -0.18 -4.91 105.19 103.16 1x1x n GLY 40 Ca -0.09 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1x1x n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1x n ASN 41 N -2.93 4.05 -0.17 1.61 6.94 -1.26 -4.03 115.26 119.47 1x1x n ASN 41 Ca -0.11 -3.24 -0.03 0.00 -0.02 0.00 0.00 54.58 51.18 1x1x n ASN 41 Cb 0.60 -0.64 0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1x1x n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1x h LEU 42 N 2.06 0.27 -0.16 -4.53 5.85 -1.88 0.12 115.31 117.04 1x1x h LEU 42 Ca 0.14 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1x1x h LEU 42 Cb 1.84 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1x1x h LEU 42 CO 0.46 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 1x1x n ALA 43 N -2.38 1.36 -0.03 1.25 0.00 -1.26 -1.53 120.51 117.92 1x1x n ALA 43 Ca 0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1x1x n ALA 43 Cb 0.18 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 1x1x n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1x1x h ASP 44 N 0.00 0.25 -0.42 0.00 3.45 -1.13 -3.03 116.42 115.54 1x1x h ASP 44 Ca 0.00 -0.77 0.00 0.00 0.43 0.00 0.00 57.03 56.69 1x1x h ASP 44 Cb 0.15 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1x1x h ASP 44 CO 0.00 1.62 0.00 1.33 -1.57 0.00 0.00 179.24 180.62 1x1x n VAL 45 N -4.00 0.56 -2.67 -1.35 0.24 -0.91 -4.56 118.33 105.64 1x1x n VAL 45 Ca -0.29 -0.61 -0.05 0.00 -2.04 0.00 0.00 64.34 61.36 1x1x n VAL 45 Cb 0.85 0.40 0.08 0.00 -1.47 0.00 0.00 33.84 33.70 1x1x n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x1x n ALA 46 N 0.87 -3.35 -1.74 2.33 0.00 -0.58 -4.89 120.51 113.15 1x1x n ALA 46 Ca 0.16 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 1x1x n ALA 46 Cb 0.41 -3.05 0.03 0.00 0.00 0.00 0.00 19.45 16.84 1x1x n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x1x n PRO 47 N 1.45 1.89 -0.34 0.00 -0.04 -1.14 -1.84 135.00 134.98 1x1x n PRO 47 Ca 0.02 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1x1x n PRO 47 Cb 0.70 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1x1x n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1x n GLY 48 N 0.72 2.00 3.94 0.55 0.00 -1.26 -5.00 105.19 106.13 1x1x n GLY 48 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1x1x n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1x s LYS 49 N -0.04 3.47 0.07 1.61 -0.14 -0.77 -4.76 119.74 119.19 1x1x s LYS 49 Ca 0.00 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 1x1x s LYS 49 Cb 0.00 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 1x1x s LYS 49 CO 0.00 0.44 -0.08 -1.12 -0.76 0.00 0.00 175.35 173.83 1x1x s SER 50 N -3.32 1.13 0.16 2.83 0.01 0.16 -4.82 113.70 109.84 1x1x s SER 50 Ca 0.36 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 1x1x s SER 50 Cb -0.11 0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.09 1x1x s SER 50 CO 0.29 -0.29 1.17 -0.63 0.41 0.00 0.00 173.24 174.19 1x1x s ILE 51 N -2.30 3.73 0.00 1.44 1.09 -1.26 -1.55 121.20 122.36 1x1x s ILE 51 Ca 0.01 1.43 0.00 0.00 -1.10 0.00 0.00 60.65 60.98 1x1x s ILE 51 Cb -0.04 -3.91 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1x1x s ILE 51 CO -0.01 0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 1x1x n GLY 52 N 2.32 1.19 0.00 6.18 0.00 -0.37 -0.81 105.19 113.70 1x1x n GLY 52 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1x1x n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1x n GLY 53 N -0.11 0.46 3.81 -0.02 0.00 0.83 -3.15 105.19 107.02 1x1x n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1x1x n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1x s ASP 54 N -2.27 6.23 0.32 1.61 1.01 -1.22 -4.77 116.67 117.58 1x1x s ASP 54 Ca 0.00 1.77 -0.29 0.00 0.71 0.00 0.00 52.55 54.74 1x1x s ASP 54 Cb 0.00 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 1x1x s ASP 54 CO 0.00 -0.85 1.51 -0.63 0.21 0.00 0.00 175.17 175.40 1x1x s ILE 55 N -2.35 2.22 -0.28 0.77 1.01 -1.26 -1.76 121.20 119.54 1x1x s ILE 55 Ca 0.63 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.43 1x1x s ILE 55 Cb -0.14 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.22 1x1x s ILE 55 CO 0.29 0.04 0.03 0.12 0.00 0.00 0.00 174.94 175.42 1x1x s PHE 56 N -0.46 3.12 -0.85 3.97 5.36 0.17 -4.75 117.98 124.54 1x1x s PHE 56 Ca 0.58 -1.22 0.24 0.00 -0.96 0.00 0.00 56.93 55.57 1x1x s PHE 56 Cb -0.46 -2.18 0.94 0.00 -0.34 0.00 0.00 43.02 40.98 1x1x s PHE 56 CO 0.52 -0.64 1.74 0.43 -1.46 0.00 0.00 175.22 175.81 1x1x n SER 57 N 4.79 0.31 -3.88 6.13 7.64 -1.26 -4.21 113.62 123.13 1x1x n SER 57 Ca -0.15 0.55 -0.25 0.00 1.01 0.00 0.00 58.87 60.03 1x1x n SER 57 Cb 0.47 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.05 1x1x n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1x n ASN 58 N -1.81 -0.75 0.32 6.43 5.15 -1.26 -4.82 115.26 118.53 1x1x n ASN 58 Ca 0.05 -0.96 0.20 0.00 -0.60 0.00 0.00 54.58 53.27 1x1x n ASN 58 Cb 0.30 -3.30 1.10 0.00 -0.53 0.00 0.00 39.78 37.35 1x1x n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1x h ARG 59 N -1.85 0.00 -0.02 1.20 3.08 -2.01 -0.82 114.38 113.97 1x1x h ARG 59 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1x1x h ARG 59 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1x1x h ARG 59 CO 0.60 0.01 -0.31 0.39 -1.07 0.00 0.00 179.97 179.59 1x1x n GLU 60 N -3.29 1.32 -1.77 0.04 -0.58 -1.26 -4.95 120.64 110.15 1x1x n GLU 60 Ca -0.03 -1.01 -0.15 0.00 -0.42 0.00 0.00 57.16 55.56 1x1x n GLU 60 Cb 0.09 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 1x1x n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x1x n GLY 61 N 1.37 0.83 0.20 0.62 0.00 -0.31 -4.89 105.19 103.01 1x1x n GLY 61 Ca 0.12 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1x1x n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1x h LYS 62 N 0.00 0.00 -6.03 1.61 1.79 -1.93 -3.44 116.57 108.58 1x1x h LYS 62 Ca -0.32 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.52 1x1x h LYS 62 Cb 1.08 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.67 1x1x h LYS 62 CO 0.43 0.32 -0.54 -0.51 -1.08 0.00 0.00 179.45 178.08 1x1x s LEU 63 N -7.65 4.13 -0.17 2.94 1.43 -1.26 -5.00 118.68 113.10 1x1x s LEU 63 Ca -0.02 0.15 -0.35 0.00 -1.03 0.00 0.00 54.13 52.88 1x1x s LEU 63 Cb 0.13 -2.76 -0.12 0.00 0.03 0.00 0.00 46.19 43.47 1x1x s LEU 63 CO 0.68 0.17 1.92 -2.65 0.23 0.00 0.00 176.35 176.70 1x1x n PRO 64 N 0.33 1.83 -4.12 1.29 -0.02 -1.26 -4.97 135.00 128.08 1x1x n PRO 64 Ca -0.07 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 1x1x n PRO 64 Cb 0.51 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1x1x n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1x1x s GLY 65 N 4.67 1.48 0.00 -1.23 0.00 -1.26 -5.08 107.32 105.90 1x1x s GLY 65 Ca 0.97 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1x1x s GLY 65 CO 0.53 -1.51 0.00 0.58 0.00 0.00 0.00 173.10 172.70 1x1x n LYS 66 N -1.15 0.00 -1.72 2.90 2.85 -1.26 -5.08 118.16 114.70 1x1x n LYS 66 Ca -0.07 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.76 1x1x n LYS 66 Cb 0.58 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.94 1x1x n LYS 66 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x1x n SER 67 N 0.00 3.50 0.00 -5.58 2.88 -1.26 -1.62 113.62 111.54 1x1x n SER 67 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1x1x n SER 67 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1x1x n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1x n GLY 68 N 2.40 2.61 3.64 0.46 0.00 -1.26 -5.01 105.19 108.03 1x1x n GLY 68 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1x1x n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1x s ARG 69 N -0.30 4.10 0.02 1.61 3.52 -0.64 -4.94 118.95 122.31 1x1x s ARG 69 Ca 0.00 0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 1x1x s ARG 69 Cb 0.00 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 1x1x s ARG 69 CO 0.00 -0.20 -0.20 0.95 -0.81 0.00 0.00 175.30 175.05 1x1x s THR 70 N 1.81 2.64 0.18 4.11 -4.23 -1.26 -4.68 115.64 114.21 1x1x s THR 70 Ca 0.18 -1.12 0.07 0.00 -1.18 0.00 0.00 61.69 59.65 1x1x s THR 70 Cb -0.15 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1x1x s THR 70 CO 0.09 0.42 0.02 0.26 -0.54 0.00 0.00 174.62 174.87 1x1x s TRP 71 N -0.83 2.87 0.05 3.99 0.52 -1.26 -0.47 118.94 123.81 1x1x s TRP 71 Ca 0.13 -0.13 -0.02 0.00 0.02 0.00 0.00 56.10 56.10 1x1x s TRP 71 Cb -0.10 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 1x1x s TRP 71 CO 0.03 0.52 0.01 1.03 0.02 0.00 0.00 176.95 178.56 1x1x s ARG 72 N -2.99 0.62 0.20 4.98 0.52 -0.16 -0.66 118.95 121.46 1x1x s ARG 72 Ca 0.28 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1x1x s ARG 72 Cb -0.09 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 1x1x s ARG 72 CO 0.19 -0.13 -0.07 -1.83 0.02 0.00 0.00 175.30 173.48 1x1x s GLU 73 N -3.64 1.24 -0.13 3.54 -1.05 -0.72 -1.27 118.70 116.67 1x1x s GLU 73 Ca 0.04 -1.58 -0.17 0.00 -0.15 0.00 0.00 54.97 53.10 1x1x s GLU 73 Cb 0.06 -0.74 0.04 0.00 -0.44 0.00 0.00 34.13 33.05 1x1x s GLU 73 CO -0.09 0.02 0.45 0.00 0.95 0.00 0.00 175.26 176.60 1x1x s ALA 74 N -3.28 -1.14 0.27 -0.84 0.00 -0.44 -0.12 121.76 116.21 1x1x s ALA 74 Ca 0.23 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 1x1x s ALA 74 Cb 0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 1x1x s ALA 74 CO 0.05 -0.25 1.21 -0.51 0.00 0.00 0.00 175.76 176.26 1x1x s ASP 75 N -0.26 7.04 0.12 0.00 1.11 0.01 -0.40 116.67 124.30 1x1x s ASP 75 Ca -0.04 2.41 0.10 0.00 0.18 0.00 0.00 52.55 55.20 1x1x s ASP 75 Cb -0.03 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1x1x s ASP 75 CO 0.02 -0.35 -0.22 -0.63 1.18 0.00 0.00 175.17 175.18 1x1x s ILE 76 N -0.82 2.61 -2.04 0.77 -1.09 -0.74 -4.66 121.20 115.23 1x1x s ILE 76 Ca 0.49 -1.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 1x1x s ILE 76 Cb -0.35 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1x1x s ILE 76 CO 0.44 0.09 0.00 0.59 -1.23 0.00 0.00 174.94 174.83 1x1x n ASN 77 N 0.82 -5.36 -4.79 3.58 3.02 0.90 -4.57 115.26 108.86 1x1x n ASN 77 Ca -0.16 0.48 -0.39 0.00 -0.03 0.00 0.00 54.58 54.48 1x1x n ASN 77 Cb 0.53 -4.66 -0.06 0.00 -0.61 0.00 0.00 39.78 34.98 1x1x n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1x s TYR 78 N -2.63 3.77 0.00 3.10 5.04 -1.26 -4.95 117.35 120.43 1x1x s TYR 78 Ca 0.00 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1x1x s TYR 78 Cb 0.00 -2.54 0.00 0.00 0.35 0.00 0.00 41.96 39.77 1x1x s TYR 78 CO 0.00 0.51 0.00 2.41 -1.34 0.00 0.00 175.55 177.13 1x1x n THR 79 N 2.03 0.01 -3.62 4.34 -1.04 -1.26 -4.91 114.28 109.83 1x1x n THR 79 Ca -0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.88 1x1x n THR 79 Cb 0.51 -1.15 -0.02 0.00 -1.82 0.00 0.00 70.33 67.85 1x1x n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x1x s SER 80 N -5.01 -0.21 0.00 8.00 1.04 -1.26 -4.70 113.70 111.56 1x1x s SER 80 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1x1x s SER 80 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1x1x s SER 80 CO 0.00 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1x1x n GLY 81 N -0.33 -0.90 3.78 7.32 0.00 -1.26 -4.90 105.19 108.89 1x1x n GLY 81 Ca -0.06 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1x1x n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1x s PHE 82 N 0.00 3.18 0.46 1.61 0.08 -1.26 -4.63 117.98 117.42 1x1x s PHE 82 Ca 0.00 1.61 -0.24 0.00 0.12 0.00 0.00 56.93 58.42 1x1x s PHE 82 Cb 0.00 -3.22 -0.07 0.00 -0.57 0.00 0.00 43.02 39.16 1x1x s PHE 82 CO 0.00 -0.88 1.31 1.03 -0.10 0.00 0.00 175.22 176.58 1x1x s ARG 83 N -2.46 3.66 0.00 0.44 0.52 -1.26 -5.04 118.95 114.81 1x1x s ARG 83 Ca 0.58 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 1x1x s ARG 83 Cb -0.25 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1x1x s ARG 83 CO 0.31 -0.74 0.00 0.27 0.02 0.00 0.00 175.30 175.16 1x1x n ASN 84 N -0.34 0.00 -0.80 0.23 0.23 -1.26 -5.02 115.26 108.29 1x1x n ASN 84 Ca 0.06 -0.43 0.08 0.00 -0.53 0.00 0.00 54.58 53.76 1x1x n ASN 84 Cb 0.44 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.37 1x1x n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1x n SER 85 N -1.28 3.60 -4.71 0.53 3.41 -1.26 -4.98 113.62 108.93 1x1x n SER 85 Ca 0.00 -2.77 -0.36 0.00 -0.26 0.00 0.00 58.87 55.48 1x1x n SER 85 Cb 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 1x1x n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1x s ASP 86 N -1.72 6.34 -0.01 4.04 -0.00 -1.26 -2.38 116.67 121.68 1x1x s ASP 86 Ca 0.37 0.39 -0.07 0.00 -0.00 0.00 0.00 52.55 53.24 1x1x s ASP 86 Cb 0.28 -2.16 0.00 0.00 -0.00 0.00 0.00 42.92 41.05 1x1x s ASP 86 CO 0.10 0.08 0.14 -0.13 -0.00 0.00 0.00 175.17 175.36 1x1x s ARG 87 N 0.69 0.45 -0.02 8.23 1.81 -0.39 -1.79 118.95 127.93 1x1x s ARG 87 Ca 0.14 -0.31 0.02 0.00 -1.72 0.00 0.00 55.73 53.85 1x1x s ARG 87 Cb -0.13 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1x1x s ARG 87 CO 0.03 -0.10 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.01 1x1x s ILE 88 N -1.19 3.87 -0.09 1.52 2.07 0.46 -1.59 121.20 126.25 1x1x s ILE 88 Ca -0.13 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 58.53 1x1x s ILE 88 Cb -0.07 -2.67 0.01 0.00 0.13 0.00 0.00 42.46 39.87 1x1x s ILE 88 CO 0.01 0.46 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.57 1x1x s LEU 89 N -1.27 1.80 0.02 8.50 2.01 0.13 -1.33 118.68 128.54 1x1x s LEU 89 Ca 0.16 -0.42 0.02 0.00 0.01 0.00 0.00 54.13 53.89 1x1x s LEU 89 Cb -0.11 -1.10 -0.01 0.00 0.01 0.00 0.00 46.19 44.98 1x1x s LEU 89 CO 0.06 0.06 -0.06 -0.72 1.01 0.00 0.00 176.35 176.70 1x1x s TYR 90 N 0.73 0.51 0.33 0.29 1.13 -0.40 -0.52 117.35 119.42 1x1x s TYR 90 Ca -0.12 -0.32 0.07 0.00 -1.41 0.00 0.00 57.07 55.29 1x1x s TYR 90 Cb -0.16 -0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 40.36 1x1x s TYR 90 CO 0.03 -0.06 0.39 -1.54 -2.51 0.00 0.00 175.55 171.85 1x1x s SER 91 N -0.92 5.71 0.55 -0.18 1.04 -0.57 -0.98 113.70 118.35 1x1x s SER 91 Ca -0.05 -0.29 0.24 0.00 0.48 0.00 0.00 55.95 56.32 1x1x s SER 91 Cb -0.06 -1.17 1.47 0.00 0.10 0.00 0.00 66.02 66.36 1x1x s SER 91 CO 0.00 -0.37 2.11 0.77 0.98 0.00 0.00 173.24 176.73 1x1x h SER 92 N 1.07 0.00 -0.53 7.02 4.64 -1.13 0.36 113.55 124.97 1x1x h SER 92 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1x1x h SER 92 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1x1x h SER 92 CO 0.56 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1x1x n ASP 93 N -4.21 5.23 -1.75 4.97 5.75 -1.26 -4.94 116.55 120.33 1x1x n ASP 93 Ca 0.02 -2.80 -0.15 0.00 -0.01 0.00 0.00 54.79 51.84 1x1x n ASP 93 Cb 0.29 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.71 1x1x n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1x n TRP 94 N 0.62 -0.73 -2.55 2.11 7.02 0.13 -5.02 117.44 119.02 1x1x n TRP 94 Ca 0.25 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.36 1x1x n TRP 94 Cb 1.09 -3.18 -0.04 0.00 -2.42 0.00 0.00 31.31 26.75 1x1x n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1x s LEU 95 N -4.39 4.28 -0.06 -0.99 1.02 -1.26 -4.79 118.68 112.49 1x1x s LEU 95 Ca 0.00 2.08 0.00 0.00 0.02 0.00 0.00 54.13 56.24 1x1x s LEU 95 Cb -0.00 -4.00 0.02 0.00 0.02 0.00 0.00 46.19 42.23 1x1x s LEU 95 CO 0.00 -0.35 -0.04 -0.63 0.02 0.00 0.00 176.35 175.36 1x1x s ILE 96 N -1.50 0.58 0.32 -0.59 1.01 -1.21 -1.51 121.20 118.30 1x1x s ILE 96 Ca 0.53 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.13 1x1x s ILE 96 Cb -0.25 -0.63 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 1x1x s ILE 96 CO 0.31 0.26 0.04 -0.31 0.00 0.00 0.00 174.94 175.24 1x1x s TYR 97 N 1.27 1.99 0.07 3.97 1.51 0.32 -1.03 117.35 125.45 1x1x s TYR 97 Ca -0.05 -0.90 -0.06 0.00 -1.01 0.00 0.00 57.07 55.05 1x1x s TYR 97 Cb -0.14 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1x1x s TYR 97 CO -0.02 0.07 0.10 -1.59 -1.11 0.00 0.00 175.55 173.01 1x1x s LYS 98 N -3.86 0.74 -0.06 -0.62 -2.85 0.40 -0.70 119.74 112.80 1x1x s LYS 98 Ca 0.35 -1.04 -0.05 0.00 -1.00 0.00 0.00 55.97 54.23 1x1x s LYS 98 Cb 0.08 0.29 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1x1x s LYS 98 CO 0.15 -0.20 0.15 -0.08 0.10 0.00 0.00 175.35 175.47 1x1x s THR 99 N -3.80 -0.00 0.00 3.79 -1.32 -0.62 -0.43 115.64 113.26 1x1x s THR 99 Ca 0.05 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 1x1x s THR 99 Cb 0.06 -0.22 0.00 0.00 -1.51 0.00 0.00 72.50 70.82 1x1x s THR 99 CO -0.10 0.00 0.69 0.35 -2.21 0.00 0.00 174.62 173.35 1x1x n THR 100 N 3.04 0.45 -2.18 5.08 -2.24 -1.26 -1.26 114.28 115.91 1x1x n THR 100 Ca -0.13 -0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 60.88 1x1x n THR 100 Cb 0.59 0.86 0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1x1x n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1x n ASP 101 N -0.23 3.59 -3.56 3.42 5.68 -1.24 -4.65 116.55 119.56 1x1x n ASP 101 Ca 0.00 -3.29 -0.21 0.00 -0.50 0.00 0.00 54.79 50.80 1x1x n ASP 101 Cb 0.19 -0.39 0.05 0.00 -1.14 0.00 0.00 41.12 39.83 1x1x n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1x n HIS 102 N -0.68 -2.07 -1.07 2.11 -0.00 -1.00 -2.91 115.22 109.61 1x1x n HIS 102 Ca 0.31 0.81 -0.02 0.00 -0.00 0.00 0.00 57.72 58.82 1x1x n HIS 102 Cb 0.91 -4.37 -0.01 0.00 -0.00 0.00 0.00 29.99 26.51 1x1x n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1x n TYR 103 N -4.04 0.00 -0.03 1.57 4.01 -1.26 -4.90 117.16 112.50 1x1x n TYR 103 Ca -0.23 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.37 1x1x n TYR 103 Cb 0.66 -1.20 -0.11 0.00 -0.31 0.00 0.00 39.34 38.38 1x1x n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1x1x h GLN 104 N 0.40 0.04 -5.76 -0.72 4.20 -1.95 -3.46 115.11 107.86 1x1x h GLN 104 Ca -0.05 -0.03 -0.48 0.00 0.06 0.00 0.00 58.65 58.15 1x1x h GLN 104 Cb 0.53 0.01 -0.20 0.00 0.30 0.00 0.00 27.48 28.11 1x1x h GLN 104 CO 0.07 0.70 -0.79 0.95 -0.67 0.00 0.00 178.83 179.08 1x1x s THR 105 N -3.55 1.50 0.01 -0.54 -4.23 -1.26 -5.12 115.64 102.44 1x1x s THR 105 Ca -0.17 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1x1x s THR 105 Cb 0.00 -1.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 1x1x s THR 105 CO 0.69 -0.22 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.01 1x1x s PHE 106 N -1.54 1.59 -0.09 3.99 0.40 -1.26 -4.46 117.98 116.60 1x1x s PHE 106 Ca 0.06 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 1x1x s PHE 106 Cb -0.08 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1x1x s PHE 106 CO 0.04 0.01 -0.18 0.99 0.70 0.00 0.00 175.22 176.78 1x1x s THR 107 N -0.58 1.65 0.06 0.64 2.01 0.43 -4.92 115.64 114.93 1x1x s THR 107 Ca 0.06 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 60.99 1x1x s THR 107 Cb -0.07 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 1x1x s THR 107 CO 0.00 0.47 1.21 -0.75 -0.69 0.00 0.00 174.62 174.86 1x1x s LYS 108 N 0.62 4.42 0.00 4.92 2.20 -1.26 -0.45 119.74 130.18 1x1x s LYS 108 Ca -0.14 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 1x1x s LYS 108 Cb -0.16 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1x1x s LYS 108 CO 0.04 -0.27 0.20 0.44 -0.36 0.00 0.00 175.35 175.40 1x1x n ILE 109 N 3.95 0.00 -1.30 5.43 -6.64 -0.20 -4.95 119.36 115.66 1x1x n ILE 109 Ca 0.09 -0.45 0.00 0.00 -1.77 0.00 0.00 62.75 60.62 1x1x n ILE 109 Cb 0.46 1.05 0.00 0.00 -1.44 0.00 0.00 39.64 39.71 1x1x n ILE 109 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32