#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1x n GLN 2 N 0.00 -0.65 -2.26 0.00 6.02 -1.26 -4.99 117.38 114.24 1x1x n GLN 2 Ca 0.00 0.96 -0.42 0.00 -0.01 0.00 0.00 57.00 57.53 1x1x n GLN 2 Cb 0.00 -2.99 -0.03 0.00 1.02 0.00 0.00 30.24 28.24 1x1x n GLN 2 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1x1x s VAL 3 N -2.30 3.51 -0.30 5.09 1.01 -1.26 -4.96 120.40 121.19 1x1x s VAL 3 Ca 0.04 1.12 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1x1x s VAL 3 Cb -0.01 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1x1x s VAL 3 CO 0.27 0.11 0.01 -0.63 0.00 0.00 0.00 175.10 174.85 1x1x s ILE 4 N 0.86 3.10 -0.04 2.22 1.01 -1.26 -4.95 121.20 122.13 1x1x s ILE 4 Ca 0.61 -1.30 0.20 0.00 0.00 0.00 0.00 60.65 60.17 1x1x s ILE 4 Cb -0.34 -2.75 0.36 0.00 0.01 0.00 0.00 42.46 39.73 1x1x s ILE 4 CO 0.32 -0.08 1.14 -0.46 0.00 0.00 0.00 174.94 175.86 1x1x n ASN 5 N 4.66 0.61 -4.84 3.58 6.94 -1.26 -4.79 115.26 120.15 1x1x n ASN 5 Ca -0.13 -2.01 -0.23 0.00 -0.02 0.00 0.00 54.58 52.19 1x1x n ASN 5 Cb 0.44 -0.18 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 1x1x n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1x s THR 6 N -0.43 4.61 0.16 5.53 -4.23 -1.26 -0.62 115.64 119.40 1x1x s THR 6 Ca 0.26 -1.24 -0.16 0.00 -1.18 0.00 0.00 61.69 59.37 1x1x s THR 6 Cb 0.31 -3.46 0.06 0.00 1.34 0.00 0.00 72.50 70.76 1x1x s THR 6 CO -0.12 -0.28 1.70 -0.26 -0.54 0.00 0.00 174.62 175.12 1x1x h PHE 7 N 1.69 0.00 0.00 3.99 0.04 -1.98 -0.95 116.94 119.73 1x1x h PHE 7 Ca -0.49 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.14 1x1x h PHE 7 Cb 1.23 0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.41 1x1x h PHE 7 CO 0.55 -0.06 -0.83 -0.44 -0.60 0.00 0.00 178.31 176.93 1x1x h ASP 8 N 0.12 0.00 -0.04 2.17 3.32 -1.97 -1.25 116.42 118.76 1x1x h ASP 8 Ca 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1x1x h ASP 8 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1x1x h ASP 8 CO -0.30 0.83 -0.01 1.23 -1.72 0.00 0.00 179.24 179.27 1x1x h GLY 9 N 2.88 0.08 1.31 2.75 0.00 -1.90 -0.56 103.07 107.62 1x1x h GLY 9 Ca -0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1x1x h GLY 9 CO 0.11 0.06 -0.49 -2.08 0.00 0.00 0.00 176.54 174.13 1x1x h VAL 10 N -0.26 1.29 -0.03 4.60 2.07 -1.26 -1.60 116.25 121.06 1x1x h VAL 10 Ca 0.01 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 1x1x h VAL 10 Cb 0.37 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1x1x h VAL 10 CO 0.00 0.54 0.02 0.00 0.02 0.00 0.00 177.57 178.16 1x1x h ALA 11 N 0.86 0.04 -0.10 1.67 0.00 -1.22 0.41 119.26 120.92 1x1x h ALA 11 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x1x h ALA 11 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x1x h ALA 11 CO 0.10 -0.43 0.06 -0.44 0.00 0.00 0.00 179.25 178.55 1x1x h ASP 12 N -0.02 0.11 -0.49 0.00 3.32 -1.08 -1.78 116.42 116.49 1x1x h ASP 12 Ca 0.01 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1x1x h ASP 12 Cb 0.06 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1x1x h ASP 12 CO -0.00 0.09 0.24 0.22 -1.72 0.00 0.00 179.24 178.07 1x1x h TYR 13 N 0.13 0.45 -0.90 4.55 5.03 -1.07 0.08 116.97 125.24 1x1x h TYR 13 Ca 0.04 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.44 1x1x h TYR 13 Cb -0.01 -0.13 -0.07 0.00 1.55 0.00 0.00 36.73 38.08 1x1x h TYR 13 CO -0.07 0.22 0.56 -0.07 -1.32 0.00 0.00 178.16 177.48 1x1x h LEU 14 N 0.48 0.87 -0.05 2.82 3.38 0.15 0.51 115.31 123.47 1x1x h LEU 14 Ca 0.21 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1x1x h LEU 14 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1x1x h LEU 14 CO -0.15 0.54 -0.67 1.56 0.09 0.00 0.00 178.44 179.81 1x1x h GLN 15 N 1.00 0.00 0.04 1.13 4.20 -0.74 -0.23 115.11 120.50 1x1x h GLN 15 Ca 0.40 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.82 1x1x h GLN 15 Cb 0.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1x1x h GLN 15 CO -0.19 0.67 -1.62 1.15 -0.67 0.00 0.00 178.83 178.17 1x1x h THR 16 N 0.00 0.99 0.00 -0.54 2.02 -0.63 -3.39 112.91 111.36 1x1x h THR 16 Ca -0.01 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1x1x h THR 16 Cb 1.49 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1x1x h THR 16 CO 0.09 0.67 0.00 -1.22 0.37 0.00 0.00 175.52 175.43 1x1x n TYR 17 N -3.23 0.00 -4.02 3.16 4.01 0.14 -5.02 117.16 112.20 1x1x n TYR 17 Ca -0.17 -0.14 -0.32 0.00 -0.16 0.00 0.00 57.90 57.12 1x1x n TYR 17 Cb 1.03 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 40.06 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 -0.14 -2.07 -3.54 -0.72 8.25 -0.10 -4.93 115.22 111.98 1x1x n HIS 18 Ca 0.00 0.86 -0.07 0.00 -0.26 0.00 0.00 57.72 58.25 1x1x n HIS 18 Cb 0.09 -3.62 -0.02 0.00 1.12 0.00 0.00 29.99 27.56 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 -6.71 0.65 0.75 -0.41 -2.85 -1.25 -5.06 119.74 104.87 1x1x s LYS 19 Ca 0.64 -0.24 -0.11 0.00 -1.00 0.00 0.00 55.97 55.25 1x1x s LYS 19 Cb -0.33 0.30 0.04 0.00 -2.06 0.00 0.00 37.83 35.78 1x1x s LYS 19 CO 0.87 -0.28 1.08 -0.51 0.10 0.00 0.00 175.35 176.61 1x1x s LEU 20 N -2.39 2.81 0.92 2.77 1.43 -1.26 -3.96 118.68 119.00 1x1x s LEU 20 Ca 0.07 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1x1x s LEU 20 Cb -0.01 -4.14 0.14 0.00 0.03 0.00 0.00 46.19 42.22 1x1x s LEU 20 CO -0.07 -1.74 1.09 -2.84 0.23 0.00 0.00 176.35 173.02 1x1x s PRO 21 N -5.12 1.05 0.13 1.29 0.02 -1.26 -4.91 135.00 126.19 1x1x s PRO 21 Ca 0.60 0.92 0.15 0.00 0.02 0.00 0.00 61.00 62.69 1x1x s PRO 21 Cb -0.14 -1.78 0.67 0.00 0.02 0.00 0.00 34.50 33.28 1x1x s PRO 21 CO 0.54 -2.41 1.45 -0.25 -0.33 0.00 0.00 177.00 176.00 1x1x n ASP 22 N -4.02 0.29 -0.74 2.53 10.43 -1.26 -2.96 116.55 120.82 1x1x n ASP 22 Ca 0.07 0.60 0.03 0.00 2.57 0.00 0.00 54.79 58.05 1x1x n ASP 22 Cb 0.55 -0.65 0.11 0.00 1.84 0.00 0.00 41.12 42.97 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 -1.85 1.99 -4.43 -2.24 0.23 -1.26 -4.85 115.26 102.86 1x1x n ASN 23 Ca 0.01 -2.18 -0.32 0.00 -0.53 0.00 0.00 54.58 51.56 1x1x n ASN 23 Cb 0.12 -0.41 -0.14 0.00 -2.08 0.00 0.00 39.78 37.27 1x1x n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1x1x s TYR 24 N -1.60 2.65 0.00 -2.53 2.02 -1.15 -1.09 117.35 115.65 1x1x s TYR 24 Ca 0.16 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1x1x s TYR 24 Cb 0.11 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1x1x s TYR 24 CO 0.07 0.09 0.01 0.96 -1.57 0.00 0.00 175.55 175.11 1x1x s ILE 25 N -0.57 0.04 0.92 2.71 -4.36 -0.48 -4.89 121.20 114.58 1x1x s ILE 25 Ca 0.08 -0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 59.99 1x1x s ILE 25 Cb -0.11 -0.14 0.15 0.00 1.25 0.00 0.00 42.46 43.60 1x1x s ILE 25 CO 0.01 -0.20 1.09 0.42 0.24 0.00 0.00 174.94 176.50 1x1x s THR 26 N -0.60 2.53 0.27 8.37 -4.23 -1.15 -1.17 115.64 119.66 1x1x s THR 26 Ca -0.07 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1x1x s THR 26 Cb -0.04 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.45 1x1x s THR 26 CO -0.00 -0.23 1.93 0.11 -0.54 0.00 0.00 174.62 175.89 1x1x h LYS 27 N -1.67 1.19 -0.49 3.99 1.57 -1.96 -0.78 116.57 118.41 1x1x h LYS 27 Ca -0.50 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.13 1x1x h LYS 27 Cb 1.29 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1x1x h LYS 27 CO 0.54 0.79 0.04 1.03 -0.57 0.00 0.00 179.45 181.27 1x1x h SER 28 N 1.22 0.82 -0.34 0.86 0.87 -1.99 -1.73 113.55 113.26 1x1x h SER 28 Ca 0.36 -0.29 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 1x1x h SER 28 Cb -0.05 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1x1x h SER 28 CO -0.10 0.91 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.50 1x1x h GLU 29 N 0.71 0.85 -0.85 2.24 5.08 -1.80 -2.04 114.58 118.78 1x1x h GLU 29 Ca 0.14 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1x1x h GLU 29 Cb 0.46 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1x1x h GLU 29 CO 0.02 1.02 0.40 0.00 -1.00 0.00 0.00 179.01 179.45 1x1x h ALA 30 N 0.96 1.09 -0.20 3.43 0.00 -1.05 -2.74 119.26 120.75 1x1x h ALA 30 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x1x h ALA 30 Cb 0.82 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1x1x h ALA 30 CO 0.07 0.66 0.09 0.37 0.00 0.00 0.00 179.25 180.44 1x1x h GLN 31 N 1.21 0.30 0.00 0.00 4.15 -1.05 -0.67 115.11 119.05 1x1x h GLN 31 Ca 0.29 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1x1x h GLN 31 Cb 0.12 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1x1x h GLN 31 CO -0.04 0.33 0.05 0.00 -1.93 0.00 0.00 178.83 177.25 1x1x h ALA 32 N 0.95 1.04 -0.02 3.38 0.00 -1.10 0.38 119.26 123.89 1x1x h ALA 32 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x1x h ALA 32 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1x1x h ALA 32 CO -0.01 -0.04 -0.07 1.28 0.00 0.00 0.00 179.25 180.41 1x1x n LEU 33 N -2.76 2.30 0.00 0.00 4.77 -0.76 -4.94 117.00 115.62 1x1x n LEU 33 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1x1x n LEU 33 Cb 0.10 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1x1x n LEU 33 CO 0.15 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1x1x n GLY 34 N 1.30 1.15 3.71 -0.72 0.00 0.13 -4.84 105.19 105.92 1x1x n GLY 34 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.48 -0.36 1.61 -0.00 -0.33 -4.94 118.94 116.40 1x1x s TRP 35 Ca 0.00 1.42 0.01 0.00 -0.00 0.00 0.00 56.10 57.54 1x1x s TRP 35 Cb 0.00 -3.32 0.11 0.00 -0.00 0.00 0.00 33.47 30.26 1x1x s TRP 35 CO 0.00 -0.87 0.12 0.08 -0.00 0.00 0.00 176.95 176.28 1x1x s VAL 36 N 1.18 1.49 0.30 5.86 1.01 -1.26 -4.45 120.40 124.52 1x1x s VAL 36 Ca 0.56 -2.02 0.01 0.00 0.00 0.00 0.00 61.98 60.53 1x1x s VAL 36 Cb -0.26 -2.10 0.41 0.00 0.00 0.00 0.00 36.38 34.43 1x1x s VAL 36 CO 0.28 -0.71 1.50 0.00 0.00 0.00 0.00 175.10 176.18 1x1x n ALA 37 N 4.31 0.48 0.42 5.51 0.00 -1.26 0.90 120.51 130.87 1x1x n ALA 37 Ca 0.02 1.03 0.05 0.00 0.00 0.00 0.00 53.44 54.54 1x1x n ALA 37 Cb 0.40 -0.75 0.24 0.00 0.00 0.00 0.00 19.45 19.35 1x1x n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x1x n SER 38 N -5.44 0.00 0.02 0.00 3.41 -1.26 -1.51 113.62 108.84 1x1x n SER 38 Ca 0.22 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1x1x n SER 38 Cb 0.73 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1x1x n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1x n LYS 39 N -1.41 0.61 -2.92 4.33 4.76 0.26 -4.97 118.16 118.82 1x1x n LYS 39 Ca 0.04 -0.12 -0.22 0.00 -2.87 0.00 0.00 58.31 55.14 1x1x n LYS 39 Cb 0.11 -1.59 0.03 0.00 -1.84 0.00 0.00 35.03 31.74 1x1x n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1x n GLY 40 N 1.25 -0.48 1.64 0.72 0.00 -0.57 -4.90 105.19 102.85 1x1x n GLY 40 Ca -0.03 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.33 4.88 -0.25 1.61 6.94 -1.26 -3.82 115.26 121.04 1x1x n ASN 41 Ca -0.13 -2.53 0.04 0.00 -0.02 0.00 0.00 54.58 51.94 1x1x n ASN 41 Cb 0.63 -0.60 0.17 0.00 -2.36 0.00 0.00 39.78 37.61 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 4.01 0.30 -1.56 -4.53 5.85 -1.89 -0.83 115.31 116.66 1x1x h LEU 42 Ca 0.00 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1x1x h LEU 42 Cb 1.54 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1x1x h LEU 42 CO 0.28 0.14 -0.23 0.00 -0.34 0.00 0.00 178.44 178.29 1x1x h ALA 43 N 1.51 1.36 -0.06 1.25 0.00 -1.83 0.21 119.26 121.70 1x1x h ALA 43 Ca 0.39 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.85 1x1x h ALA 43 Cb 0.55 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x1x h ALA 43 CO -0.37 0.29 -0.91 -0.44 0.00 0.00 0.00 179.25 177.82 1x1x h ASP 44 N 0.00 0.83 0.31 0.00 3.45 -1.51 -2.63 116.42 116.88 1x1x h ASP 44 Ca -0.00 -0.61 0.00 0.00 0.43 0.00 0.00 57.03 56.85 1x1x h ASP 44 Cb 0.49 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1x1x h ASP 44 CO 0.03 1.41 -0.78 1.33 -1.57 0.00 0.00 179.24 179.66 1x1x n VAL 45 N -3.86 0.03 -2.82 -1.35 0.24 -0.91 -4.64 118.33 105.01 1x1x n VAL 45 Ca -0.09 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 1x1x n VAL 45 Cb 0.81 0.51 0.03 0.00 -1.47 0.00 0.00 33.84 33.72 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 -1.56 -0.76 -1.56 2.33 0.00 0.05 -4.91 120.51 114.09 1x1x n ALA 46 Ca 0.04 -1.73 -0.48 0.00 0.00 0.00 0.00 53.44 51.28 1x1x n ALA 46 Cb 0.35 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1x1x n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1x n PRO 47 N 1.52 1.02 -0.91 0.00 -0.02 -0.99 -1.67 135.00 133.96 1x1x n PRO 47 Ca 0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1x1x n PRO 47 Cb 0.62 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1x1x n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1x n GLY 48 N 1.77 0.56 3.95 -1.23 0.00 -1.26 -5.01 105.19 103.96 1x1x n GLY 48 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.42 3.36 0.03 1.61 -0.14 -0.67 -4.75 119.74 118.75 1x1x s LYS 49 Ca 0.00 -0.80 -0.00 0.00 -1.36 0.00 0.00 55.97 53.81 1x1x s LYS 49 Cb 0.00 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1x1x s LYS 49 CO 0.00 0.43 -0.03 -1.12 -0.76 0.00 0.00 175.35 173.87 1x1x s SER 50 N -3.93 0.32 0.14 2.83 0.01 -0.25 -4.83 113.70 108.00 1x1x s SER 50 Ca 0.34 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1x1x s SER 50 Cb -0.09 0.13 -0.08 0.00 0.21 0.00 0.00 66.02 66.19 1x1x s SER 50 CO 0.28 -0.38 1.27 -0.63 0.41 0.00 0.00 173.24 174.19 1x1x s ILE 51 N -2.12 3.55 -0.24 1.44 -1.09 -1.26 -1.38 121.20 120.10 1x1x s ILE 51 Ca -0.10 1.19 -0.30 0.00 -2.23 0.00 0.00 60.65 59.22 1x1x s ILE 51 Cb -0.05 -3.76 0.17 0.00 -1.58 0.00 0.00 42.46 37.23 1x1x s ILE 51 CO -0.03 0.14 1.24 -0.83 -1.23 0.00 0.00 174.94 174.23 1x1x s GLY 52 N 0.64 -0.06 0.00 6.18 0.00 -0.32 -0.87 107.32 112.90 1x1x s GLY 52 Ca 0.58 2.47 0.00 0.00 0.00 0.00 0.00 44.72 47.77 1x1x s GLY 52 CO 0.34 1.02 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1x1x n GLY 53 N 0.51 0.45 3.81 0.20 0.00 -0.08 -2.95 105.19 107.13 1x1x n GLY 53 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 6.71 0.31 1.61 1.01 -1.23 -4.80 116.67 118.22 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 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 1x1x s ASP 54 CO 0.00 -0.52 1.53 -0.63 0.21 0.00 0.00 175.17 175.76 1x1x s ILE 55 N -2.12 2.18 -0.29 0.77 1.01 -1.26 -1.58 121.20 119.91 1x1x s ILE 55 Ca 0.64 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 61.37 1x1x s ILE 55 Cb -0.12 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1x1x s ILE 55 CO 0.16 0.03 0.09 0.12 0.00 0.00 0.00 174.94 175.34 1x1x s PHE 56 N -0.32 3.14 -1.85 3.97 5.36 0.20 -4.78 117.98 123.71 1x1x s PHE 56 Ca 0.60 -0.85 0.31 0.00 -0.96 0.00 0.00 56.93 56.03 1x1x s PHE 56 Cb -0.46 -2.27 1.78 0.00 -0.34 0.00 0.00 43.02 41.73 1x1x s PHE 56 CO 0.51 -0.53 2.17 0.43 -1.46 0.00 0.00 175.22 176.34 1x1x n SER 57 N 4.89 0.03 -3.93 6.13 7.64 -1.26 -4.09 113.62 123.03 1x1x n SER 57 Ca -0.15 -0.77 -0.40 0.00 1.01 0.00 0.00 58.87 58.57 1x1x n SER 57 Cb 0.49 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.06 -4.59 0.28 6.43 5.15 -1.26 -4.83 115.26 115.38 1x1x n ASN 58 Ca 0.21 -1.18 0.17 0.00 -0.60 0.00 0.00 54.58 53.18 1x1x n ASN 58 Cb 0.15 -2.17 0.71 0.00 -0.53 0.00 0.00 39.78 37.94 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 -2.18 0.00 -0.01 1.20 3.08 -2.00 -2.49 114.38 111.98 1x1x h ARG 59 Ca -0.68 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.37 1x1x h ARG 59 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1x1x h ARG 59 CO 0.49 0.02 -0.55 0.39 -1.07 0.00 0.00 179.97 179.25 1x1x n GLU 60 N -3.13 0.91 -1.62 0.04 -0.58 -1.26 -4.95 120.64 110.05 1x1x n GLU 60 Ca 0.00 -0.73 -0.11 0.00 -0.42 0.00 0.00 57.16 55.90 1x1x n GLU 60 Cb 0.30 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.43 0.82 0.15 0.62 0.00 -0.94 -4.92 105.19 102.35 1x1x n GLY 61 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -6.42 1.61 1.57 -1.93 -3.44 116.57 107.96 1x1x h LYS 62 Ca -0.25 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.99 1x1x h LYS 62 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1x1x h LYS 62 CO 0.34 0.55 -0.13 -0.51 -0.57 0.00 0.00 179.45 179.14 1x1x s LEU 63 N -7.52 4.17 0.03 2.94 1.43 -1.26 -5.01 118.68 113.46 1x1x s LEU 63 Ca -0.01 0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 1x1x s LEU 63 Cb 0.12 -3.66 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 1x1x s LEU 63 CO 0.74 -0.07 1.73 -2.16 0.23 0.00 0.00 176.35 176.82 1x1x s PRO 64 N -2.82 4.18 0.32 1.29 0.04 -1.26 -5.00 135.00 131.74 1x1x s PRO 64 Ca 0.47 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1x1x s PRO 64 Cb -0.11 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1x1x s PRO 64 CO 0.22 -0.82 0.52 0.20 0.04 0.00 0.00 177.00 177.15 1x1x s GLY 65 N 3.14 1.44 -0.17 0.56 0.00 -1.26 -5.10 107.32 105.93 1x1x s GLY 65 Ca 0.77 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 1x1x s GLY 65 CO 0.34 -0.83 0.93 1.25 0.00 0.00 0.00 173.10 174.79 1x1x s LYS 66 N -4.10 0.67 0.17 2.90 2.20 -1.26 -5.08 119.74 115.24 1x1x s LYS 66 Ca 0.40 0.31 -0.33 0.00 -0.36 0.00 0.00 55.97 55.99 1x1x s LYS 66 Cb -0.10 0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 36.41 1x1x s LYS 66 CO 0.34 -0.18 1.63 0.43 -0.36 0.00 0.00 175.35 177.21 1x1x n SER 67 N 1.19 3.36 0.00 1.43 7.64 -1.26 -1.61 113.62 124.38 1x1x n SER 67 Ca -0.13 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1x1x n SER 67 Cb 0.57 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1x1x n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1x n GLY 68 N 3.60 2.24 3.70 0.23 0.00 -1.26 -5.02 105.19 108.68 1x1x n GLY 68 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.29 4.27 -0.00 1.61 3.52 -0.63 -4.95 118.95 122.48 1x1x s ARG 69 Ca 0.00 0.32 0.08 0.00 -0.13 0.00 0.00 55.73 56.00 1x1x s ARG 69 Cb 0.00 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1x1x s ARG 69 CO 0.00 0.09 -0.25 0.95 -0.81 0.00 0.00 175.30 175.28 1x1x s THR 70 N 0.87 1.97 0.10 4.11 -4.23 -1.26 -4.71 115.64 112.49 1x1x s THR 70 Ca 0.22 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1x1x s THR 70 Cb -0.15 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1x1x s THR 70 CO 0.08 0.49 0.16 0.26 -0.54 0.00 0.00 174.62 175.07 1x1x s TRP 71 N -0.65 3.33 0.10 3.99 0.52 -1.26 -1.54 118.94 123.43 1x1x s TRP 71 Ca 0.10 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.35 1x1x s TRP 71 Cb -0.10 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1x1x s TRP 71 CO -0.00 0.54 -0.05 1.03 0.02 0.00 0.00 176.95 178.49 1x1x s ARG 72 N -2.64 0.84 0.17 4.98 0.52 0.02 0.63 118.95 123.46 1x1x s ARG 72 Ca 0.32 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 1x1x s ARG 72 Cb -0.12 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 1x1x s ARG 72 CO 0.25 -0.05 -0.01 -1.83 0.02 0.00 0.00 175.30 173.68 1x1x s GLU 73 N -3.86 1.09 -0.22 3.54 -1.05 -0.61 -1.09 118.70 116.50 1x1x s GLU 73 Ca 0.13 -1.52 -0.19 0.00 -0.15 0.00 0.00 54.97 53.24 1x1x s GLU 73 Cb 0.06 -0.28 0.06 0.00 -0.44 0.00 0.00 34.13 33.53 1x1x s GLU 73 CO -0.04 -0.12 0.57 0.00 0.95 0.00 0.00 175.26 176.62 1x1x s ALA 74 N -3.64 -1.43 0.38 -0.84 0.00 -0.26 -0.90 121.76 115.06 1x1x s ALA 74 Ca 0.23 1.67 -0.27 0.00 0.00 0.00 0.00 51.96 53.59 1x1x s ALA 74 Cb 0.06 -0.98 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 1x1x s ALA 74 CO 0.03 -0.28 1.34 -0.51 0.00 0.00 0.00 175.76 176.35 1x1x s ASP 75 N 0.46 6.46 0.02 0.00 1.11 -0.05 -0.41 116.67 124.27 1x1x s ASP 75 Ca -0.01 2.75 0.08 0.00 0.18 0.00 0.00 52.55 55.55 1x1x s ASP 75 Cb -0.04 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 1x1x s ASP 75 CO -0.01 -0.76 -0.23 -0.63 1.18 0.00 0.00 175.17 174.72 1x1x s ILE 76 N -1.19 1.84 -0.93 0.77 -1.09 -0.86 -4.72 121.20 115.02 1x1x s ILE 76 Ca 0.53 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1x1x s ILE 76 Cb -0.41 -1.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1x1x s ILE 76 CO 0.53 0.35 0.00 0.59 -1.23 0.00 0.00 174.94 175.19 1x1x n ASN 77 N 2.05 -4.61 -4.79 3.58 3.02 0.21 -4.50 115.26 110.23 1x1x n ASN 77 Ca -0.16 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 1x1x n ASN 77 Cb 0.53 -2.88 -0.06 0.00 -0.61 0.00 0.00 39.78 36.75 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 -2.14 3.81 0.08 3.10 6.14 -1.26 -4.94 117.35 122.15 1x1x s TYR 78 Ca 0.00 1.36 0.00 0.00 0.64 0.00 0.00 57.07 59.07 1x1x s TYR 78 Cb 0.00 -2.60 0.00 0.00 0.42 0.00 0.00 41.96 39.78 1x1x s TYR 78 CO 0.00 0.52 0.00 0.25 0.64 0.00 0.00 175.55 176.96 1x1x n THR 79 N 1.90 0.46 -3.84 4.34 -2.24 -1.26 -4.92 114.28 108.72 1x1x n THR 79 Ca -0.08 0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 1x1x n THR 79 Cb 0.50 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.48 1x1x n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x1x s SER 80 N -5.37 -0.26 0.00 3.42 1.04 -1.26 -4.72 113.70 106.55 1x1x s SER 80 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x1x s SER 80 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1x1x s SER 80 CO 0.00 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1x1x n GLY 81 N -0.46 -0.19 3.82 7.32 0.00 -1.25 -4.87 105.19 109.56 1x1x n GLY 81 Ca -0.04 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 3.31 0.46 1.61 0.08 -1.26 -4.48 117.98 117.69 1x1x s PHE 82 Ca 0.00 1.59 -0.24 0.00 0.12 0.00 0.00 56.93 58.40 1x1x s PHE 82 Cb 0.00 -2.86 -0.07 0.00 -0.57 0.00 0.00 43.02 39.52 1x1x s PHE 82 CO 0.00 -0.20 1.30 1.03 -0.10 0.00 0.00 175.22 177.25 1x1x s ARG 83 N -3.31 3.69 0.00 0.44 0.52 -1.26 -5.01 118.95 114.02 1x1x s ARG 83 Ca 0.62 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 1x1x s ARG 83 Cb -0.10 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1x1x s ARG 83 CO 0.16 -0.71 0.00 0.27 0.02 0.00 0.00 175.30 175.04 1x1x n ASN 84 N -0.32 0.00 -0.82 0.23 0.23 -1.26 -5.03 115.26 108.29 1x1x n ASN 84 Ca 0.06 -0.14 0.08 0.00 -0.53 0.00 0.00 54.58 54.05 1x1x n ASN 84 Cb 0.45 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.38 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 -0.43 3.68 -4.72 0.53 3.41 -1.26 -4.99 113.62 109.83 1x1x n SER 85 Ca 0.00 -2.84 -0.35 0.00 -0.26 0.00 0.00 58.87 55.41 1x1x n SER 85 Cb 0.00 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.80 5.84 -0.01 4.04 1.01 -1.26 -2.04 116.67 122.45 1x1x s ASP 86 Ca 0.38 0.21 -0.06 0.00 0.71 0.00 0.00 52.55 53.79 1x1x s ASP 86 Cb 0.30 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1x1x s ASP 86 CO 0.10 0.27 0.13 -0.13 0.21 0.00 0.00 175.17 175.75 1x1x s ARG 87 N -0.21 0.40 -0.10 8.23 1.81 -0.19 -2.03 118.95 126.86 1x1x s ARG 87 Ca 0.09 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 1x1x s ARG 87 Cb -0.12 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1x1x s ARG 87 CO 0.01 -0.09 -0.09 -1.50 -0.68 0.00 0.00 175.30 172.96 1x1x s ILE 88 N -1.01 3.49 -0.11 1.52 -1.16 0.45 -1.56 121.20 122.84 1x1x s ILE 88 Ca -0.11 -0.53 0.04 0.00 -0.51 0.00 0.00 60.65 59.53 1x1x s ILE 88 Cb -0.06 -2.45 0.00 0.00 0.61 0.00 0.00 42.46 40.56 1x1x s ILE 88 CO 0.01 0.56 -0.23 -0.76 -2.81 0.00 0.00 174.94 171.71 1x1x s LEU 89 N -0.27 2.08 -0.01 8.50 2.01 0.43 -1.10 118.68 130.32 1x1x s LEU 89 Ca 0.03 -0.56 0.01 0.00 0.01 0.00 0.00 54.13 53.62 1x1x s LEU 89 Cb -0.13 -1.40 0.00 0.00 0.01 0.00 0.00 46.19 44.67 1x1x s LEU 89 CO 0.03 0.14 -0.04 -0.72 1.01 0.00 0.00 176.35 176.76 1x1x s TYR 90 N 0.45 0.43 0.49 0.29 1.13 -0.25 -0.42 117.35 119.46 1x1x s TYR 90 Ca -0.16 -0.08 0.05 0.00 -1.41 0.00 0.00 57.07 55.47 1x1x s TYR 90 Cb -0.17 -0.30 0.03 0.00 -1.10 0.00 0.00 41.96 40.41 1x1x s TYR 90 CO 0.07 -0.03 0.68 -1.54 -2.51 0.00 0.00 175.55 172.22 1x1x s SER 91 N 0.03 5.43 0.52 -0.18 1.04 -0.83 -0.80 113.70 118.92 1x1x s SER 91 Ca 0.00 -0.27 0.28 0.00 0.48 0.00 0.00 55.95 56.45 1x1x s SER 91 Cb -0.03 -0.69 1.40 0.00 0.10 0.00 0.00 66.02 66.80 1x1x s SER 91 CO -0.00 -0.98 2.04 0.77 0.98 0.00 0.00 173.24 176.04 1x1x h SER 92 N 0.34 0.00 -0.72 7.02 4.64 -1.64 -1.54 113.55 121.66 1x1x h SER 92 Ca -0.40 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.63 1x1x h SER 92 Cb 1.29 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.21 1x1x h SER 92 CO 0.48 0.12 0.31 -0.90 -0.87 0.00 0.00 176.83 175.97 1x1x n ASP 93 N -3.53 4.06 -3.77 4.97 5.75 -1.26 -4.96 116.55 117.81 1x1x n ASP 93 Ca -0.01 -3.42 -0.27 0.00 -0.01 0.00 0.00 54.79 51.08 1x1x n ASP 93 Cb 0.27 -0.74 0.05 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.65 -2.50 -3.19 2.11 7.02 -0.58 -5.01 117.44 114.64 1x1x n TRP 94 Ca 0.44 0.95 -0.39 0.00 -1.02 0.00 0.00 57.50 57.48 1x1x n TRP 94 Cb 1.39 -4.45 -0.06 0.00 -2.42 0.00 0.00 31.31 25.77 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 -7.23 4.41 -0.12 -0.99 1.02 -1.26 -4.86 118.68 109.65 1x1x s LEU 95 Ca 0.57 1.17 0.03 0.00 0.02 0.00 0.00 54.13 55.91 1x1x s LEU 95 Cb -0.27 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.00 1x1x s LEU 95 CO 0.79 0.08 -0.21 -0.63 0.02 0.00 0.00 176.35 176.40 1x1x s ILE 96 N -0.10 2.26 0.29 -0.59 -1.09 -1.17 -1.96 121.20 118.82 1x1x s ILE 96 Ca 0.32 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 57.84 1x1x s ILE 96 Cb -0.18 -1.89 -0.06 0.00 -1.58 0.00 0.00 42.46 38.75 1x1x s ILE 96 CO 0.17 0.55 0.03 -0.31 -1.23 0.00 0.00 174.94 174.15 1x1x s TYR 97 N 0.50 1.82 0.06 3.97 2.02 0.44 -0.79 117.35 125.36 1x1x s TYR 97 Ca -0.14 -0.93 -0.06 0.00 -0.37 0.00 0.00 57.07 55.57 1x1x s TYR 97 Cb -0.17 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1x1x s TYR 97 CO 0.05 0.01 0.12 -1.59 -1.57 0.00 0.00 175.55 172.56 1x1x s LYS 98 N -3.87 0.68 -0.04 -0.62 -2.85 -0.01 -0.43 119.74 112.60 1x1x s LYS 98 Ca 0.33 -0.88 -0.03 0.00 -1.00 0.00 0.00 55.97 54.39 1x1x s LYS 98 Cb 0.07 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1x1x s LYS 98 CO 0.13 -0.18 0.10 -0.08 0.10 0.00 0.00 175.35 175.42 1x1x s THR 99 N -3.22 -0.00 0.00 3.79 -1.32 -0.60 -0.76 115.64 113.53 1x1x s THR 99 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1x1x s THR 99 Cb 0.02 -0.15 0.00 0.00 -1.51 0.00 0.00 72.50 70.86 1x1x s THR 99 CO -0.07 0.00 0.68 0.35 -2.21 0.00 0.00 174.62 173.37 1x1x n THR 100 N 3.09 0.45 -2.15 5.08 -2.24 -1.26 -1.02 114.28 116.23 1x1x n THR 100 Ca -0.13 -0.64 -0.18 0.00 -2.27 0.00 0.00 64.05 60.83 1x1x n THR 100 Cb 0.59 0.86 0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.22 4.14 -3.61 3.42 5.68 -1.23 -4.62 116.55 120.11 1x1x n ASP 101 Ca 0.00 -3.43 -0.21 0.00 -0.50 0.00 0.00 54.79 50.65 1x1x n ASP 101 Cb 0.18 -0.37 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 -0.70 -2.01 -1.05 2.11 -0.00 -0.87 -2.91 115.22 109.80 1x1x n HIS 102 Ca 0.36 0.83 -0.02 0.00 -0.00 0.00 0.00 57.72 58.89 1x1x n HIS 102 Cb 0.93 -4.42 -0.01 0.00 -0.00 0.00 0.00 29.99 26.49 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 -4.15 0.00 -0.04 1.57 4.02 -1.26 -4.91 117.16 112.39 1x1x n TYR 103 Ca -0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.48 1x1x n TYR 103 Cb 0.67 -1.07 -0.09 0.00 -0.02 0.00 0.00 39.34 38.83 1x1x n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1x1x h GLN 104 N 0.45 0.30 -4.78 -0.72 4.20 -1.95 -3.46 115.11 109.15 1x1x h GLN 104 Ca -0.03 -0.21 -0.28 0.00 0.06 0.00 0.00 58.65 58.19 1x1x h GLN 104 Cb 0.48 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 28.12 1x1x h GLN 104 CO 0.05 0.82 -0.72 0.95 -0.67 0.00 0.00 178.83 179.26 1x1x s THR 105 N -3.89 0.79 0.11 -0.54 -4.23 -1.26 -5.12 115.64 101.49 1x1x s THR 105 Ca -0.14 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1x1x s THR 105 Cb 0.04 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 1x1x s THR 105 CO 0.75 -0.64 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.69 1x1x s PHE 106 N -2.68 1.40 -0.07 3.99 0.08 -1.26 -4.49 117.98 114.94 1x1x s PHE 106 Ca 0.05 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1x1x s PHE 106 Cb -0.01 -0.74 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1x1x s PHE 106 CO -0.02 0.13 -0.10 0.99 -0.10 0.00 0.00 175.22 176.13 1x1x s THR 107 N -1.87 1.02 0.16 0.64 2.01 0.06 -4.93 115.64 112.72 1x1x s THR 107 Ca 0.06 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1x1x s THR 107 Cb -0.06 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 1x1x s THR 107 CO 0.03 0.34 1.10 -0.75 -0.69 0.00 0.00 174.62 174.65 1x1x s LYS 108 N 0.98 4.58 0.00 4.92 2.20 -1.26 -0.83 119.74 130.32 1x1x s LYS 108 Ca -0.09 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 1x1x s LYS 108 Cb -0.15 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1x1x s LYS 108 CO 0.00 0.04 0.13 0.44 -0.36 0.00 0.00 175.35 175.60 1x1x n ILE 109 N 2.61 0.00 -1.45 5.43 -5.35 0.03 -4.95 119.36 115.69 1x1x n ILE 109 Ca 0.03 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1x1x n ILE 109 Cb 0.47 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1x1x n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33