#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2p s ILE 4 N 0.00 4.16 0.00 2.52 1.01 -1.26 -4.89 121.20 122.74 1a2p s ILE 4 Ca 0.00 -1.16 0.08 0.00 0.00 0.00 0.00 60.65 59.57 1a2p s ILE 4 Cb 0.00 -3.42 0.14 0.00 0.01 0.00 0.00 42.46 39.19 1a2p s ILE 4 CO 0.00 -0.32 1.02 -0.46 0.00 0.00 0.00 174.94 175.19 1a2p n ASN 5 N 4.90 0.29 -4.97 3.58 6.94 -1.26 -4.80 115.26 119.93 1a2p n ASN 5 Ca -0.11 -1.94 -0.20 0.00 -0.02 0.00 0.00 54.58 52.31 1a2p n ASN 5 Cb 0.44 -0.20 -0.01 0.00 -2.36 0.00 0.00 39.78 37.65 1a2p n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1a2p s THR 6 N 0.00 4.32 0.14 5.53 -4.23 -1.26 -0.56 115.64 119.58 1a2p s THR 6 Ca 0.11 -1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.40 1a2p s THR 6 Cb 0.13 -3.50 -0.00 0.00 1.34 0.00 0.00 72.50 70.46 1a2p s THR 6 CO -0.05 -0.20 1.72 -0.26 -0.54 0.00 0.00 174.62 175.28 1a2p h PHE 7 N 1.00 0.00 -0.21 3.99 0.04 -1.99 -1.31 116.94 118.47 1a2p h PHE 7 Ca -0.47 0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.14 1a2p h PHE 7 Cb 1.25 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 1a2p h PHE 7 CO 0.44 -0.03 -0.60 -0.44 -0.60 0.00 0.00 178.31 177.08 1a2p h ASP 8 N 0.09 0.78 -0.04 2.17 3.32 -1.99 -1.69 116.42 119.07 1a2p h ASP 8 Ca 0.13 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1a2p h ASP 8 Cb 0.16 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1a2p h ASP 8 CO -0.21 1.20 0.01 1.23 -1.72 0.00 0.00 179.24 179.76 1a2p h GLY 9 N 0.88 0.07 0.95 2.75 0.00 -1.92 -1.39 103.07 104.41 1a2p h GLY 9 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1a2p h GLY 9 CO 0.12 0.04 -0.15 -2.08 0.00 0.00 0.00 176.54 174.47 1a2p h VAL 10 N -0.15 1.29 -0.43 4.60 2.07 -1.30 -1.53 116.25 120.80 1a2p h VAL 10 Ca 0.01 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1a2p h VAL 10 Cb 0.23 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1a2p h VAL 10 CO 0.00 0.41 0.23 0.00 0.02 0.00 0.00 177.57 178.23 1a2p h ALA 11 N 0.78 0.54 -0.09 1.67 0.00 -1.24 -0.23 119.26 120.69 1a2p h ALA 11 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1a2p h ALA 11 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a2p h ALA 11 CO 0.05 -0.11 -0.52 -0.44 0.00 0.00 0.00 179.25 178.23 1a2p h ASP 12 N 0.47 0.27 -0.37 0.00 3.32 -1.24 -2.38 116.42 116.49 1a2p h ASP 12 Ca 0.18 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1a2p h ASP 12 Cb 0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1a2p h ASP 12 CO -0.10 0.75 -0.02 0.22 -1.72 0.00 0.00 179.24 178.36 1a2p h TYR 13 N 0.19 0.74 -0.36 4.55 5.03 -0.74 -2.89 116.97 123.50 1a2p h TYR 13 Ca 0.00 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 1a2p h TYR 13 Cb 0.99 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 1a2p h TYR 13 CO 0.02 0.78 0.22 -0.07 -1.32 0.00 0.00 178.16 177.79 1a2p h LEU 14 N 0.49 0.43 -0.77 2.82 3.38 -0.96 0.37 115.31 121.08 1a2p h LEU 14 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a2p h LEU 14 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a2p h LEU 14 CO 0.02 0.36 0.00 1.56 0.09 0.00 0.00 178.44 180.48 1a2p h GLN 15 N 0.47 0.00 0.01 1.13 4.20 -1.38 -0.73 115.11 118.80 1a2p h GLN 15 Ca 0.13 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.47 1a2p h GLN 15 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1a2p h GLN 15 CO -0.02 0.00 -2.03 2.41 -0.67 0.00 0.00 178.83 178.51 1a2p n THR 16 N -2.44 1.54 0.50 -0.54 -1.04 -1.01 -4.69 114.28 106.60 1a2p n THR 16 Ca 0.02 -0.28 0.09 0.00 -2.04 0.00 0.00 64.05 61.85 1a2p n THR 16 Cb 0.27 -1.91 -0.12 0.00 -1.82 0.00 0.00 70.33 66.76 1a2p n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1a2p n TYR 17 N -4.22 0.00 -2.91 -1.42 4.02 0.09 -4.99 117.16 107.73 1a2p n TYR 17 Ca -0.45 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.22 1a2p n TYR 17 Cb 0.83 -0.18 0.03 0.00 -0.02 0.00 0.00 39.34 39.99 1a2p n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1a2p n HIS 18 N -1.74 -1.79 -3.46 -0.72 8.25 -0.28 -4.95 115.22 110.53 1a2p n HIS 18 Ca 0.01 0.43 -0.12 0.00 -0.26 0.00 0.00 57.72 57.78 1a2p n HIS 18 Cb 0.38 -4.40 -0.02 0.00 1.12 0.00 0.00 29.99 27.07 1a2p n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1a2p s LYS 19 N -5.58 1.32 0.51 -0.41 -2.85 -1.26 -5.08 119.74 106.39 1a2p s LYS 19 Ca 0.25 -0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 54.54 1a2p s LYS 19 Cb -0.11 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.17 1a2p s LYS 19 CO 0.31 -0.58 0.99 -0.51 0.10 0.00 0.00 175.35 175.66 1a2p s LEU 20 N -2.76 3.65 1.02 2.77 1.43 -1.26 -4.16 118.68 119.37 1a2p s LEU 20 Ca 0.02 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 1a2p s LEU 20 Cb -0.01 -4.52 0.20 0.00 0.03 0.00 0.00 46.19 41.89 1a2p s LEU 20 CO -0.11 -0.62 1.08 -2.84 0.23 0.00 0.00 176.35 174.09 1a2p s PRO 21 N -3.95 0.21 0.49 1.29 0.02 -1.26 -4.89 135.00 126.91 1a2p s PRO 21 Ca 0.60 1.10 0.30 0.00 0.02 0.00 0.00 61.00 63.02 1a2p s PRO 21 Cb -0.11 -1.67 1.65 0.00 0.02 0.00 0.00 34.50 34.40 1a2p s PRO 21 CO 0.29 -3.04 1.92 0.38 -0.33 0.00 0.00 177.00 176.22 1a2p h ASP 22 N -2.14 0.00 -0.08 2.53 3.04 -1.96 -2.72 116.42 115.09 1a2p h ASP 22 Ca -0.52 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 1a2p h ASP 22 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1a2p h ASP 22 CO 0.48 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.22 1a2p n ASN 23 N -2.62 0.83 -4.88 4.15 6.94 -1.26 -4.85 115.26 113.58 1a2p n ASN 23 Ca -0.02 -1.55 -0.37 0.00 -0.02 0.00 0.00 54.58 52.62 1a2p n ASN 23 Cb 0.12 -0.05 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 1a2p n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1a2p s TYR 24 N -1.90 3.60 0.13 -2.53 2.02 -1.03 -1.06 117.35 116.59 1a2p s TYR 24 Ca 0.30 0.53 0.06 0.00 -0.37 0.00 0.00 57.07 57.60 1a2p s TYR 24 Cb 0.15 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1a2p s TYR 24 CO 0.24 0.73 -0.14 0.96 -1.57 0.00 0.00 175.55 175.77 1a2p s ILE 25 N -1.00 1.36 0.79 2.71 -4.36 -0.53 -4.91 121.20 115.26 1a2p s ILE 25 Ca 0.15 -1.81 -0.12 0.00 -0.26 0.00 0.00 60.65 58.61 1a2p s ILE 25 Cb -0.12 -1.63 0.07 0.00 1.25 0.00 0.00 42.46 42.03 1a2p s ILE 25 CO 0.04 -0.48 1.15 0.42 0.24 0.00 0.00 174.94 176.32 1a2p s THR 26 N -2.37 2.40 0.29 8.37 -4.23 -1.23 -0.95 115.64 117.91 1a2p s THR 26 Ca 0.11 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1a2p s THR 26 Cb -0.04 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.95 1a2p s THR 26 CO 0.03 -0.17 1.94 0.11 -0.54 0.00 0.00 174.62 175.99 1a2p h LYS 27 N -1.00 1.09 -0.55 3.99 1.57 -1.96 -0.77 116.57 118.93 1a2p h LYS 27 Ca -0.46 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.13 1a2p h LYS 27 Cb 1.31 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1a2p h LYS 27 CO 0.65 0.75 -0.06 0.77 -0.57 0.00 0.00 179.45 180.99 1a2p h SER 28 N 1.11 0.98 -0.53 0.86 0.02 -1.99 -0.40 113.55 113.61 1a2p h SER 28 Ca 0.29 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1a2p h SER 28 Cb -0.07 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1a2p h SER 28 CO -0.06 1.07 0.02 -0.33 -1.14 0.00 0.00 176.83 176.39 1a2p h GLU 29 N 0.90 0.91 -0.30 3.45 5.08 -1.79 -1.83 114.58 121.00 1a2p h GLU 29 Ca 0.15 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1a2p h GLU 29 Cb 0.60 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1a2p h GLU 29 CO 0.04 0.92 0.08 0.00 -1.00 0.00 0.00 179.01 179.05 1a2p h ALA 30 N 0.96 0.40 -0.85 3.43 0.00 -0.90 -2.50 119.26 119.80 1a2p h ALA 30 Ca 0.15 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1a2p h ALA 30 Cb 0.50 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1a2p h ALA 30 CO 0.02 0.05 0.53 1.96 0.00 0.00 0.00 179.25 181.81 1a2p h GLN 31 N 0.33 0.97 -0.39 0.00 4.20 -0.97 -1.09 115.11 118.16 1a2p h GLN 31 Ca 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1a2p h GLN 31 Cb 0.27 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1a2p h GLN 31 CO -0.00 0.65 0.07 0.00 -0.67 0.00 0.00 178.83 178.87 1a2p h ALA 32 N 1.38 1.39 0.00 3.87 0.00 -1.04 -1.89 119.26 122.97 1a2p h ALA 32 Ca 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1a2p h ALA 32 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a2p h ALA 32 CO -0.15 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1a2p n LEU 33 N -4.31 0.05 0.00 0.00 4.77 -0.90 -4.90 117.00 111.72 1a2p n LEU 33 Ca 0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1a2p n LEU 33 Cb 0.21 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1a2p n LEU 33 CO 0.39 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1a2p n GLY 34 N 0.52 1.16 3.70 -0.72 0.00 -0.71 -4.91 105.19 104.24 1a2p n GLY 34 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1a2p n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1a2p s TRP 35 N -2.00 2.78 -0.27 1.61 -0.00 -0.46 -4.97 118.94 115.62 1a2p s TRP 35 Ca 0.00 0.52 0.02 0.00 -0.00 0.00 0.00 56.10 56.64 1a2p s TRP 35 Cb 0.00 -3.91 0.07 0.00 -0.00 0.00 0.00 33.47 29.63 1a2p s TRP 35 CO 0.00 -3.49 -0.04 0.08 -0.00 0.00 0.00 176.95 173.50 1a2p s VAL 36 N 1.89 1.87 0.23 5.86 1.01 -1.26 -4.46 120.40 125.53 1a2p s VAL 36 Ca 0.71 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1a2p s VAL 36 Cb -0.41 -2.14 0.19 0.00 0.00 0.00 0.00 36.38 34.02 1a2p s VAL 36 CO 0.31 -0.21 1.71 0.00 0.00 0.00 0.00 175.10 176.91 1a2p h ALA 37 N 7.83 0.86 0.00 5.51 0.00 -2.00 -0.69 119.26 130.77 1a2p h ALA 37 Ca -0.15 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a2p h ALA 37 Cb 1.05 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a2p h ALA 37 CO 0.45 -0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1a2p n SER 38 N -5.08 0.25 -0.34 0.00 3.41 -1.26 -2.19 113.62 108.41 1a2p n SER 38 Ca 0.11 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 1a2p n SER 38 Cb 0.37 -0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1a2p n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a2p n LYS 39 N -1.78 0.85 -3.02 4.33 5.02 -0.28 -5.00 118.16 118.29 1a2p n LYS 39 Ca 0.03 -0.69 -0.21 0.00 -2.02 0.00 0.00 58.31 55.42 1a2p n LYS 39 Cb 0.20 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1a2p n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a2p n GLY 40 N 1.44 -0.46 1.29 0.72 0.00 -0.93 -4.90 105.19 102.36 1a2p n GLY 40 Ca 0.08 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1a2p n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a2p n ASN 41 N -2.33 4.34 -0.24 1.61 6.94 -1.26 -3.98 115.26 120.34 1a2p n ASN 41 Ca -0.10 -2.54 0.01 0.00 -0.02 0.00 0.00 54.58 51.92 1a2p n ASN 41 Cb 0.61 -0.52 0.13 0.00 -2.36 0.00 0.00 39.78 37.64 1a2p n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1a2p h LEU 42 N 3.20 0.45 -0.99 -4.53 5.85 -1.89 -1.52 115.31 115.89 1a2p h LEU 42 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1a2p h LEU 42 Cb 1.38 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1a2p h LEU 42 CO 0.21 0.26 0.00 0.00 -0.34 0.00 0.00 178.44 178.58 1a2p h ALA 43 N 1.42 1.00 0.14 1.25 0.00 -1.84 -0.45 119.26 120.78 1a2p h ALA 43 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 1a2p h ALA 43 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a2p h ALA 43 CO -0.26 0.00 -1.43 -0.44 0.00 0.00 0.00 179.25 177.12 1a2p h ASP 44 N 0.00 0.47 0.50 0.00 3.32 -1.64 -3.26 116.42 115.81 1a2p h ASP 44 Ca 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 1a2p h ASP 44 Cb 0.45 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1a2p h ASP 44 CO 0.00 1.46 -1.54 1.33 -1.72 0.00 0.00 179.24 178.77 1a2p n VAL 45 N -3.52 0.51 -3.10 -1.35 0.24 -1.02 -4.60 118.33 105.50 1a2p n VAL 45 Ca -0.14 -0.57 -0.20 0.00 -2.04 0.00 0.00 64.34 61.39 1a2p n VAL 45 Cb 1.05 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.10 1a2p n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a2p n ALA 46 N -2.28 1.60 -1.66 2.33 0.00 -0.21 -4.90 120.51 115.39 1a2p n ALA 46 Ca -0.05 -2.97 -0.46 0.00 0.00 0.00 0.00 53.44 49.96 1a2p n ALA 46 Cb 0.64 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1a2p n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a2p n PRO 47 N 1.43 2.00 -0.96 0.00 -0.02 -1.23 -1.84 135.00 134.38 1a2p n PRO 47 Ca 0.18 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1a2p n PRO 47 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1a2p n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a2p n GLY 48 N 2.88 0.88 3.92 -1.23 0.00 -1.26 -5.03 105.19 105.34 1a2p n GLY 48 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1a2p n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2p s LYS 49 N -0.04 3.53 0.13 1.61 -0.14 -0.77 -4.82 119.74 119.24 1a2p s LYS 49 Ca 0.00 -0.30 0.08 0.00 -1.36 0.00 0.00 55.97 54.38 1a2p s LYS 49 Cb 0.00 -2.90 -0.04 0.00 -1.68 0.00 0.00 37.83 33.21 1a2p s LYS 49 CO 0.00 0.49 -0.18 -1.12 -0.76 0.00 0.00 175.35 173.77 1a2p s SER 50 N -2.76 2.45 0.16 2.83 0.01 -0.22 -4.86 113.70 111.31 1a2p s SER 50 Ca 0.38 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 1a2p s SER 50 Cb -0.12 -0.13 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 1a2p s SER 50 CO 0.27 -0.02 1.06 -0.63 0.41 0.00 0.00 173.24 174.33 1a2p s ILE 51 N -1.66 4.05 -0.23 1.44 -1.09 -1.26 -1.45 121.20 121.00 1a2p s ILE 51 Ca 0.10 1.75 -0.33 0.00 -2.23 0.00 0.00 60.65 59.94 1a2p s ILE 51 Cb -0.08 -4.12 0.16 0.00 -1.58 0.00 0.00 42.46 36.84 1a2p s ILE 51 CO 0.05 0.29 1.26 -0.83 -1.23 0.00 0.00 174.94 174.48 1a2p s GLY 52 N -0.10 -0.16 0.00 6.18 0.00 -0.13 -0.81 107.32 112.31 1a2p s GLY 52 Ca 0.49 2.07 0.00 0.00 0.00 0.00 0.00 44.72 47.28 1a2p s GLY 52 CO 0.33 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.82 1a2p n GLY 53 N 0.19 0.62 3.81 0.20 0.00 0.49 -3.53 105.19 106.97 1a2p n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1a2p n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a2p s ASP 54 N -2.00 6.61 0.20 1.61 1.01 -1.24 -4.79 116.67 118.06 1a2p s ASP 54 Ca 0.00 1.81 -0.30 0.00 0.71 0.00 0.00 52.55 54.76 1a2p s ASP 54 Cb 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 1a2p s ASP 54 CO 0.00 -0.60 1.39 -0.63 0.21 0.00 0.00 175.17 175.54 1a2p s ILE 55 N -2.11 3.00 -0.25 0.77 1.01 -1.26 -1.49 121.20 120.87 1a2p s ILE 55 Ca 0.65 0.79 -0.08 0.00 0.00 0.00 0.00 60.65 62.01 1a2p s ILE 55 Cb -0.13 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1a2p s ILE 55 CO 0.18 0.10 0.10 0.12 0.00 0.00 0.00 174.94 175.44 1a2p s PHE 56 N 0.37 3.13 0.34 3.97 5.36 -0.16 -4.85 117.98 126.14 1a2p s PHE 56 Ca 0.60 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 56.35 1a2p s PHE 56 Cb -0.39 -2.26 0.64 0.00 -0.34 0.00 0.00 43.02 40.67 1a2p s PHE 56 CO 0.38 -0.27 1.97 1.03 -1.46 0.00 0.00 175.22 176.87 1a2p h SER 57 N 8.13 0.76 -5.23 6.13 0.87 -1.95 -3.39 113.55 118.85 1a2p h SER 57 Ca -0.37 -0.01 -0.40 0.00 -1.23 0.00 0.00 61.79 59.77 1a2p h SER 57 Cb 1.18 -0.17 0.11 0.00 -0.44 0.00 0.00 62.40 63.07 1a2p h SER 57 CO 0.58 0.52 -0.65 -3.20 -0.53 0.00 0.00 176.83 173.55 1a2p n ASN 58 N -4.46 -6.31 -0.07 6.23 5.15 -1.26 -4.90 115.26 109.65 1a2p n ASN 58 Ca 0.09 -0.43 -0.07 0.00 -0.60 0.00 0.00 54.58 53.57 1a2p n ASN 58 Cb 0.13 -5.02 -0.01 0.00 -0.53 0.00 0.00 39.78 34.35 1a2p n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1a2p h ARG 59 N -2.13 0.02 0.00 1.20 -0.00 -2.00 -2.03 114.38 109.44 1a2p h ARG 59 Ca -0.55 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.92 1a2p h ARG 59 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.33 1a2p h ARG 59 CO 0.57 0.02 0.00 0.39 0.00 0.00 0.00 179.97 180.94 1a2p n GLU 60 N -5.21 0.02 -2.14 0.04 1.02 -1.26 -4.87 120.64 108.24 1a2p n GLU 60 Ca -0.01 0.35 -0.16 0.00 -0.02 0.00 0.00 57.16 57.32 1a2p n GLU 60 Cb 0.15 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1a2p n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a2p n GLY 61 N -0.48 0.09 0.18 0.62 0.00 -0.76 -4.90 105.19 99.94 1a2p n GLY 61 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1a2p n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2p h LYS 62 N 0.00 0.50 -6.60 1.61 1.57 -1.90 -3.44 116.57 108.31 1a2p h LYS 62 Ca -0.37 -0.46 -0.51 0.00 -1.87 0.00 0.00 60.65 57.44 1a2p h LYS 62 Cb 1.24 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 1a2p h LYS 62 CO 0.46 1.09 0.03 -0.51 -0.57 0.00 0.00 179.45 179.96 1a2p s LEU 63 N -7.98 4.15 0.22 2.94 1.43 -1.26 -4.98 118.68 113.20 1a2p s LEU 63 Ca -0.07 1.20 -0.32 0.00 -1.03 0.00 0.00 54.13 53.91 1a2p s LEU 63 Cb 0.09 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.35 1a2p s LEU 63 CO 0.87 -0.11 1.65 -0.81 0.23 0.00 0.00 176.35 178.17 1a2p n PRO 64 N -0.04 2.58 -4.00 1.29 -0.04 -1.26 -4.98 135.00 128.55 1a2p n PRO 64 Ca 0.01 0.93 -0.29 0.00 -0.04 0.00 0.00 63.50 64.11 1a2p n PRO 64 Cb 0.53 -2.73 -0.05 0.00 -0.04 0.00 0.00 33.50 31.21 1a2p n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1a2p s GLY 65 N 0.92 1.93 -0.13 0.55 0.00 -1.26 -5.10 107.32 104.23 1a2p s GLY 65 Ca 0.73 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.15 1a2p s GLY 65 CO 0.38 -1.00 0.76 1.25 0.00 0.00 0.00 173.10 174.48 1a2p s LYS 66 N -2.76 0.91 0.14 2.90 2.20 -1.26 -5.07 119.74 116.79 1a2p s LYS 66 Ca 0.32 0.44 -0.34 0.00 -0.36 0.00 0.00 55.97 56.03 1a2p s LYS 66 Cb -0.12 0.43 -0.14 0.00 -1.51 0.00 0.00 37.83 36.49 1a2p s LYS 66 CO 0.25 -0.24 1.54 0.43 -0.36 0.00 0.00 175.35 176.97 1a2p n SER 67 N 1.39 2.81 0.00 1.43 7.64 -1.26 -1.22 113.62 124.41 1a2p n SER 67 Ca -0.16 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1a2p n SER 67 Cb 0.57 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1a2p n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a2p n GLY 68 N 3.27 0.49 3.67 0.23 0.00 -1.26 -5.01 105.19 106.58 1a2p n GLY 68 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1a2p n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a2p s ARG 69 N -0.32 4.13 -0.05 1.61 3.52 -0.36 -4.94 118.95 122.55 1a2p s ARG 69 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.57 1a2p s ARG 69 Cb 0.00 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1a2p s ARG 69 CO 0.00 0.05 -0.05 0.99 -0.81 0.00 0.00 175.30 175.48 1a2p s THR 70 N 1.08 3.87 0.01 4.11 2.01 -1.26 -4.76 115.64 120.69 1a2p s THR 70 Ca 0.13 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1a2p s THR 70 Cb -0.14 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1a2p s THR 70 CO 0.05 0.52 -0.05 0.26 -0.69 0.00 0.00 174.62 174.71 1a2p s TRP 71 N -0.91 2.93 0.14 4.92 0.52 -1.26 -1.21 118.94 124.07 1a2p s TRP 71 Ca 0.15 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1a2p s TRP 71 Cb -0.11 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1a2p s TRP 71 CO 0.04 0.40 -0.06 1.03 0.02 0.00 0.00 176.95 178.38 1a2p s ARG 72 N -1.48 0.99 0.19 4.98 0.52 -0.21 -0.99 118.95 122.95 1a2p s ARG 72 Ca 0.18 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.02 1a2p s ARG 72 Cb -0.11 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1a2p s ARG 72 CO 0.08 -0.02 -0.12 -1.83 0.02 0.00 0.00 175.30 173.43 1a2p s GLU 73 N -3.83 1.25 -0.08 3.54 -1.05 -0.55 -1.02 118.70 116.96 1a2p s GLU 73 Ca 0.17 -1.55 -0.18 0.00 -0.15 0.00 0.00 54.97 53.26 1a2p s GLU 73 Cb 0.05 -0.95 0.04 0.00 -0.44 0.00 0.00 34.13 32.83 1a2p s GLU 73 CO -0.01 0.14 0.42 0.00 0.95 0.00 0.00 175.26 176.76 1a2p s ALA 74 N -3.10 -1.06 0.32 -0.84 0.00 -0.45 -0.38 121.76 116.26 1a2p s ALA 74 Ca 0.21 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.72 1a2p s ALA 74 Cb 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 1a2p s ALA 74 CO 0.05 -0.26 1.10 -0.51 0.00 0.00 0.00 175.76 176.14 1a2p s ASP 75 N -0.73 7.05 0.06 0.00 1.11 0.01 -0.97 116.67 123.20 1a2p s ASP 75 Ca -0.08 2.25 0.09 0.00 0.18 0.00 0.00 52.55 54.98 1a2p s ASP 75 Cb -0.04 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 1a2p s ASP 75 CO 0.04 -0.30 -0.24 -0.63 1.18 0.00 0.00 175.17 175.22 1a2p s ILE 76 N -1.30 1.94 -0.93 0.77 -1.09 -0.83 -4.72 121.20 115.03 1a2p s ILE 76 Ca 0.49 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 1a2p s ILE 76 Cb -0.30 -1.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.90 1a2p s ILE 76 CO 0.38 0.24 0.00 0.59 -1.23 0.00 0.00 174.94 174.92 1a2p n ASN 77 N 1.65 -4.52 -4.76 3.58 3.02 0.28 -4.59 115.26 109.92 1a2p n ASN 77 Ca -0.17 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 1a2p n ASN 77 Cb 0.53 -2.80 -0.05 0.00 -0.61 0.00 0.00 39.78 36.84 1a2p n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1a2p s TYR 78 N -2.17 3.78 0.00 3.10 5.04 -1.26 -4.92 117.35 120.91 1a2p s TYR 78 Ca 0.00 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1a2p s TYR 78 Cb 0.00 -2.78 0.00 0.00 0.35 0.00 0.00 41.96 39.53 1a2p s TYR 78 CO 0.00 0.35 0.00 0.25 -1.34 0.00 0.00 175.55 174.81 1a2p n THR 79 N 2.45 0.00 -3.58 4.34 -2.24 -1.26 -4.93 114.28 109.06 1a2p n THR 79 Ca -0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 1a2p n THR 79 Cb 0.50 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.45 1a2p n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a2p s SER 80 N -5.00 -0.45 0.00 3.42 1.04 -1.26 -4.77 113.70 106.67 1a2p s SER 80 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1a2p s SER 80 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1a2p s SER 80 CO 0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1a2p n GLY 81 N -0.41 -1.42 3.74 7.32 0.00 -1.26 -4.88 105.19 108.28 1a2p n GLY 81 Ca -0.12 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1a2p n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a2p s PHE 82 N 0.00 2.22 0.64 1.61 0.08 -1.26 -4.52 117.98 116.75 1a2p s PHE 82 Ca 0.00 1.59 -0.18 0.00 0.12 0.00 0.00 56.93 58.47 1a2p s PHE 82 Cb 0.00 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 1a2p s PHE 82 CO 0.00 -2.31 1.25 1.03 -0.10 0.00 0.00 175.22 175.09 1a2p s ARG 83 N -4.01 2.65 0.00 0.44 0.52 -1.26 -5.01 118.95 112.27 1a2p s ARG 83 Ca 0.71 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.85 1a2p s ARG 83 Cb -0.26 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1a2p s ARG 83 CO 0.45 -1.48 0.00 0.27 0.02 0.00 0.00 175.30 174.55 1a2p n ASN 84 N -1.90 0.00 -0.83 0.23 0.23 -1.26 -5.03 115.26 106.70 1a2p n ASN 84 Ca 0.15 -0.22 0.08 0.00 -0.53 0.00 0.00 54.58 54.06 1a2p n ASN 84 Cb 0.49 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.35 1a2p n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1a2p n SER 85 N -0.67 2.97 -4.73 0.53 7.64 -1.26 -4.97 113.62 113.13 1a2p n SER 85 Ca 0.00 -1.88 -0.35 0.00 1.01 0.00 0.00 58.87 57.65 1a2p n SER 85 Cb 0.00 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 62.91 1a2p n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1a2p s ASP 86 N -1.14 6.25 -0.01 6.43 1.01 -1.26 -2.48 116.67 125.47 1a2p s ASP 86 Ca 0.28 0.28 -0.07 0.00 0.71 0.00 0.00 52.55 53.75 1a2p s ASP 86 Cb 0.16 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1a2p s ASP 86 CO 0.22 0.17 0.14 -0.13 0.21 0.00 0.00 175.17 175.78 1a2p s ARG 87 N 0.37 0.43 -0.12 8.23 1.81 -0.57 -1.96 118.95 127.14 1a2p s ARG 87 Ca 0.10 -0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 53.76 1a2p s ARG 87 Cb -0.11 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 1a2p s ARG 87 CO -0.01 -0.10 0.07 -1.50 -0.68 0.00 0.00 175.30 173.08 1a2p s ILE 88 N -1.14 4.87 -0.16 1.52 2.07 -0.14 -1.75 121.20 126.48 1a2p s ILE 88 Ca -0.12 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.10 1a2p s ILE 88 Cb -0.07 -3.11 0.01 0.00 0.13 0.00 0.00 42.46 39.43 1a2p s ILE 88 CO 0.01 0.58 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.67 1a2p s LEU 89 N -0.69 2.22 -0.02 8.50 2.01 0.16 -1.34 118.68 129.54 1a2p s LEU 89 Ca 0.12 -0.59 0.04 0.00 0.01 0.00 0.00 54.13 53.71 1a2p s LEU 89 Cb -0.12 -1.50 -0.01 0.00 0.01 0.00 0.00 46.19 44.58 1a2p s LEU 89 CO 0.02 0.04 -0.13 -0.72 1.01 0.00 0.00 176.35 176.58 1a2p s TYR 90 N 1.04 1.22 0.40 0.29 1.13 -0.19 -0.71 117.35 120.52 1a2p s TYR 90 Ca -0.01 -0.26 0.07 0.00 -1.41 0.00 0.00 57.07 55.45 1a2p s TYR 90 Cb -0.14 -0.80 0.00 0.00 -1.10 0.00 0.00 41.96 39.92 1a2p s TYR 90 CO -0.06 -0.05 0.55 -1.54 -2.51 0.00 0.00 175.55 171.94 1a2p s SER 91 N -0.20 5.77 0.18 -0.18 1.04 -0.79 -1.04 113.70 118.48 1a2p s SER 91 Ca 0.03 -0.26 0.19 0.00 0.48 0.00 0.00 55.95 56.39 1a2p s SER 91 Cb -0.06 -0.96 0.83 0.00 0.10 0.00 0.00 66.02 65.93 1a2p s SER 91 CO -0.00 -0.65 1.58 -1.54 0.98 0.00 0.00 173.24 173.61 1a2p n SER 92 N -1.81 0.42 -0.85 7.02 3.41 -0.35 -1.16 113.62 120.30 1a2p n SER 92 Ca 0.04 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.35 1a2p n SER 92 Cb 0.59 -0.70 0.22 0.00 -0.26 0.00 0.00 64.21 64.06 1a2p n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a2p n ASP 93 N -1.98 3.58 -0.68 4.04 5.75 -1.26 -4.99 116.55 121.01 1a2p n ASP 93 Ca 0.02 -2.57 -0.07 0.00 -0.01 0.00 0.00 54.79 52.16 1a2p n ASP 93 Cb 0.17 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1a2p n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1a2p n TRP 94 N 0.02 -0.19 -2.76 2.11 7.02 -0.31 -5.02 117.44 118.32 1a2p n TRP 94 Ca 0.18 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.26 1a2p n TRP 94 Cb 0.71 -1.77 -0.06 0.00 -2.42 0.00 0.00 31.31 27.77 1a2p n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1a2p s LEU 95 N -1.80 4.63 -0.09 -0.99 1.43 -1.26 -4.87 118.68 115.73 1a2p s LEU 95 Ca 0.00 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1a2p s LEU 95 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1a2p s LEU 95 CO 0.00 0.14 -0.13 -0.63 0.23 0.00 0.00 176.35 175.97 1a2p s ILE 96 N -1.08 1.26 0.24 -0.59 1.01 -1.26 -1.88 121.20 118.90 1a2p s ILE 96 Ca 0.41 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.66 1a2p s ILE 96 Cb -0.26 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 1a2p s ILE 96 CO 0.32 0.39 -0.20 -0.31 0.00 0.00 0.00 174.94 175.14 1a2p s TYR 97 N 0.98 2.13 0.08 3.97 1.51 0.11 -1.26 117.35 124.88 1a2p s TYR 97 Ca -0.08 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.67 1a2p s TYR 97 Cb -0.15 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1a2p s TYR 97 CO -0.01 0.57 -0.23 0.21 -1.11 0.00 0.00 175.55 174.98 1a2p s LYS 98 N -3.29 1.38 -0.00 -0.62 2.20 -0.12 -0.66 119.74 118.63 1a2p s LYS 98 Ca 0.25 -1.13 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1a2p s LYS 98 Cb -0.05 -1.64 -0.01 0.00 -1.51 0.00 0.00 37.83 34.62 1a2p s LYS 98 CO 0.12 0.40 -0.12 -0.08 -0.36 0.00 0.00 175.35 175.31 1a2p s THR 99 N -0.97 0.92 -0.04 3.43 -1.32 -0.71 -1.55 115.64 115.39 1a2p s THR 99 Ca 0.09 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 60.08 1a2p s THR 99 Cb -0.10 -0.78 0.10 0.00 -1.51 0.00 0.00 72.50 70.21 1a2p s THR 99 CO 0.04 0.22 1.00 0.35 -2.21 0.00 0.00 174.62 174.01 1a2p n THR 100 N 2.68 1.12 -2.24 5.08 -2.24 -1.26 -1.51 114.28 115.91 1a2p n THR 100 Ca -0.14 -1.24 -0.03 0.00 -2.27 0.00 0.00 64.05 60.36 1a2p n THR 100 Cb 0.56 0.31 0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1a2p n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a2p n ASP 101 N -0.72 2.23 -3.48 3.42 5.68 -1.20 -4.64 116.55 117.84 1a2p n ASP 101 Ca 0.05 -2.90 -0.19 0.00 -0.50 0.00 0.00 54.79 51.25 1a2p n ASP 101 Cb 0.44 -0.41 0.09 0.00 -1.14 0.00 0.00 41.12 40.09 1a2p n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1a2p n HIS 102 N -0.46 -2.35 -1.08 2.11 8.25 -1.03 -2.98 115.22 117.67 1a2p n HIS 102 Ca 0.18 0.96 -0.03 0.00 -0.26 0.00 0.00 57.72 58.57 1a2p n HIS 102 Cb 0.91 -5.06 -0.01 0.00 1.12 0.00 0.00 29.99 26.94 1a2p n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a2p n TYR 103 N -4.35 0.00 0.11 4.41 4.01 -1.26 -4.91 117.16 115.17 1a2p n TYR 103 Ca -0.22 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.29 1a2p n TYR 103 Cb 0.64 -0.93 -0.15 0.00 -0.31 0.00 0.00 39.34 38.59 1a2p n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1a2p h GLN 104 N 0.40 0.46 -4.72 -0.72 4.20 -1.96 -3.47 115.11 109.29 1a2p h GLN 104 Ca -0.06 -0.77 -0.28 0.00 0.06 0.00 0.00 58.65 57.60 1a2p h GLN 104 Cb 0.34 0.28 -0.19 0.00 0.30 0.00 0.00 27.48 28.21 1a2p h GLN 104 CO 0.08 1.37 -0.73 0.95 -0.67 0.00 0.00 178.83 179.83 1a2p s THR 105 N -2.55 0.70 0.05 -0.54 -4.23 -1.26 -5.13 115.64 102.68 1a2p s THR 105 Ca -0.11 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1a2p s THR 105 Cb 0.03 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 1a2p s THR 105 CO 0.90 -0.51 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.99 1a2p s PHE 106 N -2.08 1.03 0.03 3.99 0.08 -1.26 -4.42 117.98 115.35 1a2p s PHE 106 Ca -0.01 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.62 1a2p s PHE 106 Cb -0.05 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1a2p s PHE 106 CO -0.01 0.01 -0.09 0.95 -0.10 0.00 0.00 175.22 175.99 1a2p s THR 107 N -1.19 0.63 0.24 0.64 -4.23 -0.60 -4.96 115.64 106.17 1a2p s THR 107 Ca -0.04 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 1a2p s THR 107 Cb -0.09 -0.63 -0.09 0.00 1.34 0.00 0.00 72.50 73.03 1a2p s THR 107 CO 0.01 -0.17 1.08 -0.75 -0.54 0.00 0.00 174.62 174.25 1a2p s LYS 108 N -1.12 4.65 0.00 3.99 2.20 -1.26 -0.94 119.74 127.26 1a2p s LYS 108 Ca -0.04 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1a2p s LYS 108 Cb -0.07 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1a2p s LYS 108 CO 0.00 0.20 0.00 0.44 -0.36 0.00 0.00 175.35 175.64 1a2p n ILE 109 N 1.68 0.00 -1.32 5.43 -5.35 -0.39 -4.90 119.36 114.51 1a2p n ILE 109 Ca 0.00 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1a2p n ILE 109 Cb 0.46 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 1a2p n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33