#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n ARG 2 N 0.00 0.00 0.00 3.17 1.74 -1.26 -4.94 116.66 115.37 3i1r n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1r n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i1r n ARG 2 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i1r n HIS 3 N 0.00 0.00 -1.00 -1.55 8.25 -1.26 0.18 115.22 119.84 3i1r n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1r n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1r n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1r n ARG 4 N 0.00 -0.18 -3.23 -0.41 5.12 -1.26 -5.01 116.66 111.69 3i1r n ARG 4 Ca 0.00 0.04 -0.35 0.00 -1.93 0.00 0.00 57.85 55.62 3i1r n ARG 4 Cb 0.00 -3.16 -0.06 0.00 -1.16 0.00 0.00 32.46 28.09 3i1r n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i1r s LYS 5 N -0.18 4.06 0.40 5.56 1.02 0.48 -5.09 119.74 125.98 3i1r s LYS 5 Ca 0.00 0.63 0.08 0.00 0.02 0.00 0.00 55.97 56.70 3i1r s LYS 5 Cb 0.00 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 3i1r s LYS 5 CO 0.00 0.37 0.23 -1.54 -0.92 0.00 0.00 175.35 173.49 3i1r s SER 6 N -1.88 4.66 0.00 2.83 1.04 -1.26 -5.03 113.70 114.06 3i1r s SER 6 Ca 0.44 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3i1r s SER 6 Cb -0.14 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.42 3i1r s SER 6 CO 0.20 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3i1r n GLY 7 N -1.31 1.28 3.71 7.32 0.00 -1.26 -5.05 105.19 109.89 3i1r n GLY 7 Ca -0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 3i1r n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1r s ARG 8 N -1.90 4.44 0.39 1.61 3.52 -1.26 -4.93 118.95 120.82 3i1r s ARG 8 Ca 0.00 0.93 0.27 0.00 -0.13 0.00 0.00 55.73 56.80 3i1r s ARG 8 Cb 0.00 -3.46 0.87 0.00 -1.56 0.00 0.00 34.95 30.80 3i1r s ARG 8 CO 0.00 0.03 1.78 0.37 -0.81 0.00 0.00 175.30 176.67 3i1r h GLN 9 N 6.81 0.00 -6.76 5.12 4.15 -1.97 -3.47 115.11 118.99 3i1r h GLN 9 Ca -0.40 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.48 3i1r h GLN 9 Cb 1.19 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.67 3i1r h GLN 9 CO 0.76 0.00 -0.82 1.28 -1.93 0.00 0.00 178.83 178.11 3i1r n LEU 10 N -2.76 -0.80 -2.73 -2.39 7.99 -1.26 -1.48 117.00 113.56 3i1r n LEU 10 Ca 0.03 -1.10 -0.08 0.00 -0.01 0.00 0.00 56.01 54.85 3i1r n LEU 10 Cb 0.38 -1.37 -0.01 0.00 -0.11 0.00 0.00 43.42 42.32 3i1r n LEU 10 CO 0.28 0.33 -0.05 0.59 -1.51 0.00 0.00 177.39 177.04 3i1r n ASN 11 N -2.35 -1.84 0.00 -1.43 5.03 -1.26 -4.82 115.26 108.58 3i1r n ASN 11 Ca -0.20 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.47 3i1r n ASN 11 Cb 0.55 -1.66 0.00 0.00 -1.02 0.00 0.00 39.78 37.65 3i1r n ASN 11 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i1r n ARG 12 N -2.79 2.09 -3.78 3.52 1.74 -0.55 -5.15 116.66 111.75 3i1r n ARG 12 Ca -0.02 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 3i1r n ARG 12 Cb 0.52 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.85 3i1r n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1r s ASN 13 N 1.00 -0.27 0.02 0.55 4.22 -1.26 -5.00 114.94 114.20 3i1r s ASN 13 Ca 0.00 0.48 -0.04 0.00 -2.14 0.00 0.00 52.86 51.16 3i1r s ASN 13 Cb 0.00 0.54 -0.01 0.00 1.28 0.00 0.00 41.25 43.06 3i1r s ASN 13 CO 0.00 -0.16 0.22 -1.20 -2.04 0.00 0.00 177.10 173.92 3i1r n SER 14 N 2.64 -0.13 0.00 3.54 7.64 -1.26 -0.79 113.62 125.26 3i1r n SER 14 Ca -0.14 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3i1r n SER 14 Cb 0.58 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3i1r n SER 14 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i1r n SER 15 N -3.78 0.00 -0.30 6.43 7.64 -1.26 -0.15 113.62 122.21 3i1r n SER 15 Ca 0.00 0.39 0.06 0.00 1.01 0.00 0.00 58.87 60.33 3i1r n SER 15 Cb 0.03 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.37 3i1r n SER 15 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3i1r n HIS 16 N -0.66 0.34 0.22 1.43 -0.00 0.03 -0.13 115.22 116.44 3i1r n HIS 16 Ca 0.00 1.01 -0.16 0.00 -0.00 0.00 0.00 57.72 58.57 3i1r n HIS 16 Cb 0.00 -1.01 -0.08 0.00 -0.00 0.00 0.00 29.99 28.90 3i1r n HIS 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1r h ARG 17 N 0.00 -0.79 -0.55 1.57 3.08 -0.45 -1.16 114.38 116.07 3i1r h ARG 17 Ca 0.42 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.62 3i1r h ARG 17 Cb 0.69 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.83 3i1r h ARG 17 CO -0.84 -0.53 0.09 0.37 -1.07 0.00 0.00 179.97 178.00 3i1r h GLN 18 N -0.82 0.22 0.11 0.04 4.15 0.29 -1.87 115.11 117.23 3i1r h GLN 18 Ca -0.02 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.40 3i1r h GLN 18 Cb 0.76 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 3i1r h GLN 18 CO -0.13 0.14 -0.41 0.00 -1.93 0.00 0.00 178.83 176.50 3i1r h ALA 19 N 1.45 -0.73 0.03 3.38 0.00 -0.65 -2.10 119.26 120.64 3i1r h ALA 19 Ca 0.28 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3i1r h ALA 19 Cb 0.41 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3i1r h ALA 19 CO -0.39 -0.98 -0.25 0.00 0.00 0.00 0.00 179.25 177.64 3i1r h MET 20 N -0.64 -0.39 0.00 0.00 -0.00 -0.89 -1.67 114.93 111.34 3i1r h MET 20 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 3i1r h MET 20 Cb 0.67 0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 3i1r h MET 20 CO -0.25 -0.26 0.00 1.19 -0.00 0.00 0.00 176.91 177.60 3i1r n PHE 21 N -5.37 0.68 0.09 -0.10 3.01 -0.73 0.16 117.46 115.21 3i1r n PHE 21 Ca -0.05 0.28 -0.10 0.00 1.01 0.00 0.00 57.45 58.59 3i1r n PHE 21 Cb 0.28 -0.95 -0.06 0.00 -0.01 0.00 0.00 39.48 38.74 3i1r n PHE 21 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3i1r h ARG 22 N 0.00 -0.30 -0.65 -1.08 2.43 -0.61 -2.61 114.38 111.56 3i1r h ARG 22 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3i1r h ARG 22 Cb 0.30 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 3i1r h ARG 22 CO 0.00 0.05 0.43 -0.91 -1.51 0.00 0.00 179.97 178.03 3i1r h ASN 23 N -0.94 0.69 0.26 -3.80 -0.26 -0.03 -1.33 115.58 110.17 3i1r h ASN 23 Ca -0.03 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 3i1r h ASN 23 Cb 0.48 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 3i1r h ASN 23 CO 0.05 0.48 -0.13 -0.03 -1.06 0.00 0.00 177.43 176.75 3i1r h MET 24 N 0.80 -0.34 -0.79 0.81 4.05 -0.39 -0.72 114.93 118.36 3i1r h MET 24 Ca 0.25 0.02 0.18 0.00 -0.28 0.00 0.00 59.70 59.87 3i1r h MET 24 Cb 0.02 0.08 -0.12 0.00 -0.80 0.00 0.00 31.60 30.78 3i1r h MET 24 CO -0.07 -0.12 0.24 0.00 0.23 0.00 0.00 176.91 177.20 3i1r h ALA 25 N 0.19 1.10 -0.48 0.39 0.00 -0.91 0.33 119.26 119.89 3i1r h ALA 25 Ca -0.04 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3i1r h ALA 25 Cb 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i1r h ALA 25 CO 0.06 -0.34 -0.15 0.78 0.00 0.00 0.00 179.25 179.61 3i1r h GLY 26 N 0.31 1.02 1.52 0.00 0.00 -1.16 -0.43 103.07 104.32 3i1r h GLY 26 Ca 0.46 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3i1r h GLY 26 CO -0.52 0.78 0.08 1.76 0.00 0.00 0.00 176.54 178.64 3i1r h SER 27 N 0.79 0.57 0.04 0.19 0.02 0.10 -0.15 113.55 115.10 3i1r h SER 27 Ca 0.12 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3i1r h SER 27 Cb 0.71 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3i1r h SER 27 CO 0.05 0.58 -0.02 0.25 -1.14 0.00 0.00 176.83 176.56 3i1r h LEU 28 N 0.60 -0.04 -0.80 5.07 5.85 -0.22 -1.20 115.31 124.56 3i1r h LEU 28 Ca 0.14 -0.56 0.11 0.00 0.84 0.00 0.00 57.88 58.41 3i1r h LEU 28 Cb 0.25 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 3i1r h LEU 28 CO -0.00 0.56 0.43 0.58 -0.34 0.00 0.00 178.44 179.67 3i1r h VAL 29 N -0.68 0.82 0.10 1.05 2.07 -1.01 0.95 116.25 119.56 3i1r h VAL 29 Ca -0.01 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3i1r h VAL 29 Cb 0.60 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3i1r h VAL 29 CO 0.01 0.12 -0.05 -0.09 0.02 0.00 0.00 177.57 177.58 3i1r h ARG 30 N 0.68 -0.13 0.00 1.57 2.43 -1.01 -3.35 114.38 114.56 3i1r h ARG 30 Ca 0.41 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3i1r h ARG 30 Cb 0.47 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3i1r h ARG 30 CO -0.30 -0.09 0.00 0.45 -1.51 0.00 0.00 179.97 178.52 3i1r h HIS 31 N -0.18 0.00 0.00 2.20 3.86 -1.23 -3.47 115.15 116.33 3i1r h HIS 31 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3i1r h HIS 31 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3i1r h HIS 31 CO 0.13 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.31 3i1r n GLU 32 N -2.99 0.00 -3.72 2.45 1.02 0.33 -4.90 120.64 112.84 3i1r n GLU 32 Ca 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3i1r n GLU 32 Cb 0.50 -2.31 -0.11 0.00 -0.02 0.00 0.00 31.44 29.50 3i1r n GLU 32 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i1r s ILE 33 N -2.21 -0.02 0.09 -3.67 1.09 -1.26 -0.98 121.20 114.24 3i1r s ILE 33 Ca 0.00 0.08 0.02 0.00 -1.10 0.00 0.00 60.65 59.65 3i1r s ILE 33 Cb 0.00 -0.53 -0.04 0.00 -1.06 0.00 0.00 42.46 40.83 3i1r s ILE 33 CO 0.00 0.03 -0.07 0.27 -0.10 0.00 0.00 174.94 175.08 3i1r s ILE 34 N 1.03 0.66 -0.19 2.92 -4.36 -0.61 -4.96 121.20 115.70 3i1r s ILE 34 Ca -0.07 -1.81 -0.07 0.00 -0.26 0.00 0.00 60.65 58.44 3i1r s ILE 34 Cb -0.07 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 3i1r s ILE 34 CO -0.08 -0.80 0.06 -0.75 0.24 0.00 0.00 174.94 173.61 3i1r s LYS 35 N -3.50 3.91 0.35 0.37 2.20 -1.26 -1.10 119.74 120.71 3i1r s LYS 35 Ca 0.08 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 3i1r s LYS 35 Cb 0.03 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3i1r s LYS 35 CO -0.04 0.20 0.52 -0.08 -0.36 0.00 0.00 175.35 175.58 3i1r s THR 36 N 0.56 0.00 0.51 3.43 -1.32 -0.44 -4.99 115.64 113.39 3i1r s THR 36 Ca 0.03 -1.52 -0.22 0.00 -1.21 0.00 0.00 61.69 58.77 3i1r s THR 36 Cb -0.13 -2.67 -0.06 0.00 -1.51 0.00 0.00 72.50 68.13 3i1r s THR 36 CO 0.01 0.00 1.23 0.42 -2.21 0.00 0.00 174.62 174.07 3i1r s THR 37 N -2.96 2.72 0.01 5.08 -4.23 -1.26 -0.75 115.64 114.24 3i1r s THR 37 Ca 0.29 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 61.29 3i1r s THR 37 Cb -0.01 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.56 3i1r s THR 37 CO 0.19 -0.02 1.05 0.25 -0.54 0.00 0.00 174.62 175.54 3i1r h LEU 38 N 1.66 -0.14 -0.74 4.79 5.85 -1.34 -1.61 115.31 123.77 3i1r h LEU 38 Ca -0.50 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.35 3i1r h LEU 38 Cb 1.27 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.22 3i1r h LEU 38 CO 0.58 -0.04 -0.37 -0.65 -0.34 0.00 0.00 178.44 177.62 3i1r h PRO 39 N -0.06 -0.10 -0.24 5.25 0.11 -1.93 0.10 132.00 135.13 3i1r h PRO 39 Ca 0.00 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.14 3i1r h PRO 39 Cb 0.06 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 3i1r h PRO 39 CO -0.03 -0.07 -0.24 0.87 -0.21 0.00 0.00 178.00 178.32 3i1r h LYS 40 N -0.11 -0.12 -0.99 1.05 1.57 -1.90 0.17 116.57 116.24 3i1r h LYS 40 Ca 0.26 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.39 3i1r h LYS 40 Cb 0.57 0.03 -0.18 0.00 0.08 0.00 0.00 32.23 32.72 3i1r h LYS 40 CO -0.80 -0.08 0.27 0.00 -0.57 0.00 0.00 179.45 178.28 3i1r h ALA 41 N -0.65 1.63 0.00 3.86 0.00 0.13 0.73 119.26 124.96 3i1r h ALA 41 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3i1r h ALA 41 Cb 0.23 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i1r h ALA 41 CO -0.30 -0.73 0.00 1.63 0.00 0.00 0.00 179.25 179.85 3i1r n LYS 42 N -5.36 0.18 -0.07 0.00 5.02 0.50 -2.39 118.16 116.04 3i1r n LYS 42 Ca 0.30 0.32 -0.12 0.00 -2.02 0.00 0.00 58.31 56.79 3i1r n LYS 42 Cb 0.99 -1.79 -0.15 0.00 -0.02 0.00 0.00 35.03 34.07 3i1r n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i1r n GLU 43 N -2.12 0.67 -0.25 1.97 -0.58 0.22 -4.23 120.64 116.33 3i1r n GLU 43 Ca 0.04 0.15 0.15 0.00 -0.42 0.00 0.00 57.16 57.08 3i1r n GLU 43 Cb 0.29 -1.63 0.45 0.00 -0.57 0.00 0.00 31.44 29.97 3i1r n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i1r h LEU 44 N 0.01 0.53 -0.48 -4.62 5.85 -0.29 0.46 115.31 116.76 3i1r h LEU 44 Ca -0.45 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.39 3i1r h LEU 44 Cb 2.10 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 43.01 3i1r h LEU 44 CO 0.04 0.24 0.09 0.03 -0.34 0.00 0.00 178.44 178.50 3i1r h ARG 45 N 0.54 0.22 0.00 1.25 3.08 -1.71 -0.26 114.38 117.51 3i1r h ARG 45 Ca 0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3i1r h ARG 45 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3i1r h ARG 45 CO -0.20 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 3i1r h ARG 46 N 0.23 0.00 0.04 0.04 3.08 -1.13 -1.76 114.38 114.88 3i1r h ARG 46 Ca 0.24 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.96 3i1r h ARG 46 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3i1r h ARG 46 CO -0.31 0.00 -1.84 0.28 -1.07 0.00 0.00 179.97 177.02 3i1r n VAL 47 N -3.06 1.62 0.07 2.04 0.31 -0.25 -4.47 118.33 114.58 3i1r n VAL 47 Ca -0.02 -0.36 -0.22 0.00 -0.01 0.00 0.00 64.34 63.73 3i1r n VAL 47 Cb 0.12 -1.84 -0.15 0.00 -0.91 0.00 0.00 33.84 31.05 3i1r n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i1r h VAL 48 N -0.52 1.31 -0.99 2.52 2.07 -0.89 -3.25 116.25 116.51 3i1r h VAL 48 Ca -0.46 -2.56 0.14 0.00 0.82 0.00 0.00 66.70 64.65 3i1r h VAL 48 Cb 1.67 3.04 -0.09 0.00 -1.52 0.00 0.00 31.29 34.39 3i1r h VAL 48 CO -0.13 0.75 0.62 -0.33 0.02 0.00 0.00 177.57 178.51 3i1r h GLU 49 N -0.17 0.87 0.30 1.57 5.08 -1.55 -1.27 114.58 119.41 3i1r h GLU 49 Ca -0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3i1r h GLU 49 Cb 1.86 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3i1r h GLU 49 CO 0.18 0.58 -0.14 -1.35 -1.00 0.00 0.00 179.01 177.27 3i1r h PRO 50 N 0.90 -0.38 -0.70 2.33 0.11 -1.78 -1.36 132.00 131.11 3i1r h PRO 50 Ca 0.51 0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.73 3i1r h PRO 50 Cb 0.63 0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.73 3i1r h PRO 50 CO -0.29 -0.10 -0.36 1.28 -0.21 0.00 0.00 178.00 178.33 3i1r n LEU 51 N -5.15 -0.63 0.13 2.35 4.32 -0.62 -0.16 117.00 117.24 3i1r n LEU 51 Ca -0.10 1.24 -0.13 0.00 -0.02 0.00 0.00 56.01 57.00 3i1r n LEU 51 Cb 0.25 -0.21 -0.06 0.00 -1.62 0.00 0.00 43.42 41.77 3i1r n LEU 51 CO 0.32 -1.05 0.77 0.40 -1.22 0.00 0.00 177.39 176.60 3i1r h ILE 52 N 0.00 0.67 -0.36 -0.08 2.04 -1.04 0.47 117.51 119.20 3i1r h ILE 52 Ca 0.17 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.13 3i1r h ILE 52 Cb 0.34 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3i1r h ILE 52 CO -0.68 0.00 0.40 0.74 0.00 0.00 0.00 178.15 178.62 3i1r h THR 53 N -0.34 0.38 0.00 -0.27 2.02 0.07 -1.11 112.91 113.66 3i1r h THR 53 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3i1r h THR 53 Cb 0.31 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3i1r h THR 53 CO -0.03 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 176.02 3i1r h LEU 54 N 0.00 0.07 0.00 2.58 5.85 0.16 -3.21 115.31 120.76 3i1r h LEU 54 Ca 0.17 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3i1r h LEU 54 Cb 0.97 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3i1r h LEU 54 CO -0.00 0.89 0.00 0.00 -0.34 0.00 0.00 178.44 178.98 3i1r n ALA 55 N -2.53 1.67 0.27 1.25 0.00 -0.45 -2.28 120.51 118.44 3i1r n ALA 55 Ca -0.10 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.40 3i1r n ALA 55 Cb 0.44 -1.15 0.72 0.00 0.00 0.00 0.00 19.45 19.47 3i1r n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1r h LYS 56 N 0.00 0.00 -4.91 0.00 1.79 -1.48 -3.38 116.57 108.59 3i1r h LYS 56 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 3i1r h LYS 56 Cb 0.06 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.35 3i1r h LYS 56 CO 0.00 0.04 -0.81 0.99 -1.08 0.00 0.00 179.45 178.59 3i1r s THR 57 N -4.77 2.22 -0.22 -0.16 2.01 -0.96 -4.85 115.64 108.90 3i1r s THR 57 Ca -0.05 -1.43 -0.22 0.00 0.31 0.00 0.00 61.69 60.31 3i1r s THR 57 Cb 0.16 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3i1r s THR 57 CO 0.62 0.12 0.68 -0.62 -0.69 0.00 0.00 174.62 174.73 3i1r s ASP 58 N 1.17 6.70 0.20 3.53 3.68 -1.26 -4.83 116.67 125.85 3i1r s ASP 58 Ca -0.05 0.86 -0.13 0.00 2.13 0.00 0.00 52.55 55.36 3i1r s ASP 58 Cb -0.18 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 38.92 3i1r s ASP 58 CO -0.07 -0.36 0.41 -0.94 0.13 0.00 0.00 175.17 174.35 3i1r s SER 59 N 1.31 -0.09 0.08 -0.34 1.04 -1.26 -5.01 113.70 109.43 3i1r s SER 59 Ca 0.30 -0.77 -0.19 0.00 0.48 0.00 0.00 55.95 55.77 3i1r s SER 59 Cb -0.16 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3i1r s SER 59 CO 0.09 -1.01 1.54 0.58 0.98 0.00 0.00 173.24 175.43 3i1r h VAL 60 N 2.36 1.23 -0.08 5.02 2.07 -2.00 -2.68 116.25 122.17 3i1r h VAL 60 Ca -0.29 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3i1r h VAL 60 Cb 1.24 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 3i1r h VAL 60 CO 0.41 0.25 -0.51 0.00 0.02 0.00 0.00 177.57 177.74 3i1r h ALA 61 N 0.83 -0.83 -0.01 1.67 0.00 -1.98 -0.90 119.26 118.05 3i1r h ALA 61 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i1r h ALA 61 Cb 0.34 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i1r h ALA 61 CO 0.01 -1.05 -0.01 -0.91 0.00 0.00 0.00 179.25 177.29 3i1r h ASN 62 N -0.59 0.01 0.15 0.00 -0.26 -1.87 -0.20 115.58 112.81 3i1r h ASN 62 Ca 0.04 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 3i1r h ASN 62 Cb 0.69 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 3i1r h ASN 62 CO -0.40 0.02 -0.07 0.03 -1.06 0.00 0.00 177.43 175.95 3i1r h ARG 63 N 0.01 -0.19 -0.78 0.81 3.08 -1.03 -1.45 114.38 114.83 3i1r h ARG 63 Ca 0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.15 3i1r h ARG 63 Cb 0.02 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.00 3i1r h ARG 63 CO 0.00 0.25 -0.54 0.00 -1.07 0.00 0.00 179.97 178.61 3i1r h ARG 64 N -0.78 -0.14 0.00 0.04 2.47 -0.40 1.16 114.38 116.73 3i1r h ARG 64 Ca -0.02 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3i1r h ARG 64 Cb 0.53 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3i1r h ARG 64 CO 0.03 -0.09 0.00 -0.11 0.56 0.00 0.00 179.97 180.36 3i1r n LEU 65 N -5.33 0.00 -0.43 3.04 7.94 -0.16 -0.47 117.00 121.59 3i1r n LEU 65 Ca 0.01 0.76 0.36 0.00 -1.11 0.00 0.00 56.01 56.04 3i1r n LEU 65 Cb 0.31 -0.26 0.59 0.00 0.53 0.00 0.00 43.42 44.59 3i1r n LEU 65 CO -0.09 -0.26 1.07 0.00 -1.11 0.00 0.00 177.39 176.99 3i1r n ALA 66 N -1.86 1.23 0.08 1.96 0.00 -0.55 0.28 120.51 121.66 3i1r n ALA 66 Ca 0.00 0.70 -0.05 0.00 0.00 0.00 0.00 53.44 54.09 3i1r n ALA 66 Cb 0.00 -0.91 0.12 0.00 0.00 0.00 0.00 19.45 18.66 3i1r n ALA 66 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i1r h PHE 67 N 0.00 0.33 -0.47 0.00 3.57 0.28 -3.23 116.94 117.41 3i1r h PHE 67 Ca 0.75 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 62.07 3i1r h PHE 67 Cb 2.54 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 41.20 3i1r h PHE 67 CO -0.00 0.79 0.05 0.00 -2.23 0.00 0.00 178.31 176.92 3i1r h ALA 68 N 1.18 1.21 -1.93 2.41 0.00 0.69 -1.91 119.26 120.91 3i1r h ALA 68 Ca -0.01 -0.22 -0.45 0.00 0.00 0.00 0.00 54.91 54.23 3i1r h ALA 68 Cb 1.10 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.72 3i1r h ALA 68 CO 0.09 0.53 -0.19 1.03 0.00 0.00 0.00 179.25 180.71 3i1r s ARG 69 N -5.07 3.04 0.00 0.00 1.81 -1.04 -4.33 118.95 113.35 3i1r s ARG 69 Ca -0.09 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 3i1r s ARG 69 Cb 0.15 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 3i1r s ARG 69 CO 0.80 -0.17 0.00 0.25 -0.68 0.00 0.00 175.30 175.49 3i1r n THR 70 N -1.92 0.00 -3.25 0.02 -2.24 -1.26 -4.55 114.28 101.08 3i1r n THR 70 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 3i1r n THR 70 Cb 0.58 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 3i1r n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i1r n ARG 71 N -0.37 -0.96 -3.64 -0.78 3.00 -0.72 -4.87 116.66 108.33 3i1r n ARG 71 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 57.85 57.87 3i1r n ARG 71 Cb 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 32.46 30.72 3i1r n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i1r s ASP 72 N -3.38 -1.06 0.03 6.15 3.68 -1.26 -5.08 116.67 115.76 3i1r s ASP 72 Ca 0.06 1.52 -0.19 0.00 2.13 0.00 0.00 52.55 56.07 3i1r s ASP 72 Cb -0.03 1.98 -0.18 0.00 -1.45 0.00 0.00 42.92 43.23 3i1r s ASP 72 CO 0.45 -0.22 1.22 0.78 0.13 0.00 0.00 175.17 177.53 3i1r h ASN 73 N 7.64 0.52 -0.83 -0.34 4.21 -1.95 -1.75 115.58 123.08 3i1r h ASN 73 Ca -0.22 -0.63 0.14 0.00 1.21 0.00 0.00 56.30 56.79 3i1r h ASN 73 Cb 1.14 -0.15 -0.14 0.00 -1.12 0.00 0.00 38.32 38.05 3i1r h ASN 73 CO 0.12 1.07 -0.36 -0.08 -1.29 0.00 0.00 177.43 176.88 3i1r h GLU 74 N 0.00 -0.06 0.00 0.81 4.81 -1.99 0.25 114.58 118.40 3i1r h GLU 74 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i1r h GLU 74 Cb 1.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3i1r h GLU 74 CO 0.08 -0.04 -0.11 -0.84 -0.73 0.00 0.00 179.01 177.38 3i1r h ILE 75 N -0.07 0.00 0.00 2.32 3.07 -1.95 -1.27 117.51 119.61 3i1r h ILE 75 Ca 0.30 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.93 3i1r h ILE 75 Cb 0.58 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 3i1r h ILE 75 CO -0.86 0.00 0.00 1.62 -1.05 0.00 0.00 178.15 177.86 3i1r h VAL 76 N 0.00 0.00 0.13 0.16 3.04 0.04 -2.77 116.25 116.85 3i1r h VAL 76 Ca 0.00 -0.37 -0.30 0.00 -1.01 0.00 0.00 66.70 65.02 3i1r h VAL 76 Cb 0.89 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3i1r h VAL 76 CO 0.00 0.00 -1.53 0.00 -1.01 0.00 0.00 177.57 175.03 3i1r h ALA 77 N 2.33 0.19 0.35 3.17 0.00 0.55 -3.37 119.26 122.48 3i1r h ALA 77 Ca 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.77 3i1r h ALA 77 Cb 0.54 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i1r h ALA 77 CO 0.00 0.90 -0.17 -0.22 0.00 0.00 0.00 179.25 179.76 3i1r h LYS 78 N -0.19 -0.46 -6.72 0.00 3.64 -1.44 -1.66 116.57 109.74 3i1r h LYS 78 Ca -0.32 0.03 -0.57 0.00 -1.27 0.00 0.00 60.65 58.52 3i1r h LYS 78 Cb 1.86 0.10 0.16 0.00 -0.41 0.00 0.00 32.23 33.94 3i1r h LYS 78 CO 0.09 -0.18 -0.01 1.28 -2.27 0.00 0.00 179.45 178.36 3i1r n LEU 79 N -5.21 2.80 0.00 5.20 4.77 -1.05 0.21 117.00 123.72 3i1r n LEU 79 Ca -0.10 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 3i1r n LEU 79 Cb 0.26 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 3i1r n LEU 79 CO 0.33 -2.13 0.00 0.49 -1.33 0.00 0.00 177.39 174.74 3i1r n PHE 80 N -1.58 0.00 0.01 -1.77 3.72 -1.26 -4.46 117.46 112.12 3i1r n PHE 80 Ca 0.13 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.35 3i1r n PHE 80 Cb 0.46 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.89 3i1r n PHE 80 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3i1r h ASN 81 N 0.00 0.55 0.00 4.37 2.35 -1.12 -3.40 115.58 118.32 3i1r h ASN 81 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 3i1r h ASN 81 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3i1r h ASN 81 CO 0.00 1.26 0.00 1.21 -1.65 0.00 0.00 177.43 178.25 3i1r n GLU 82 N -4.19 0.00 -0.26 0.81 2.13 0.13 -4.73 120.64 114.53 3i1r n GLU 82 Ca -0.11 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.66 3i1r n GLU 82 Cb 0.70 -0.12 0.06 0.00 0.27 0.00 0.00 31.44 32.35 3i1r n GLU 82 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i1r h LEU 83 N 0.00 0.84 0.00 4.31 4.07 -1.25 -1.90 115.31 121.37 3i1r h LEU 83 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3i1r h LEU 83 Cb 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3i1r h LEU 83 CO 0.00 0.61 0.00 0.61 -1.08 0.00 0.00 178.44 178.58 3i1r n GLY 84 N -1.30 -3.50 0.40 0.83 0.00 -1.26 -1.65 105.19 98.71 3i1r n GLY 84 Ca 0.07 0.59 0.22 0.00 0.00 0.00 0.00 46.02 46.90 3i1r n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1r h PRO 85 N 0.00 0.40 -0.80 1.61 0.13 -1.76 0.20 132.00 131.78 3i1r h PRO 85 Ca 0.00 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.19 3i1r h PRO 85 Cb 0.00 -0.09 -0.07 0.00 0.13 0.00 0.00 31.00 30.97 3i1r h PRO 85 CO 0.00 0.27 0.45 -0.09 -0.23 0.00 0.00 178.00 178.40 3i1r h ARG 86 N 0.42 0.74 -0.58 0.86 2.43 -1.02 -1.18 114.38 116.05 3i1r h ARG 86 Ca 0.57 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.67 3i1r h ARG 86 Cb 1.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3i1r h ARG 86 CO -0.27 0.49 0.02 1.19 -1.51 0.00 0.00 179.97 179.89 3i1r n PHE 87 N -4.76 2.08 0.31 2.20 3.72 0.60 -4.64 117.46 116.98 3i1r n PHE 87 Ca 0.13 -0.78 0.21 0.00 -0.05 0.00 0.00 57.45 56.95 3i1r n PHE 87 Cb 0.26 -0.52 1.06 0.00 -0.94 0.00 0.00 39.48 39.34 3i1r n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1r h ALA 88 N 3.79 1.00 -1.64 4.37 0.00 -0.28 -3.18 119.26 123.33 3i1r h ALA 88 Ca 0.02 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.42 3i1r h ALA 88 Cb 2.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 19.38 3i1r h ALA 88 CO 0.51 0.00 -0.91 -1.13 0.00 0.00 0.00 179.25 177.72 3i1r n SER 89 N -2.99 3.20 -3.71 0.00 3.41 -1.26 -5.04 113.62 107.23 3i1r n SER 89 Ca -0.02 -3.34 -0.15 0.00 -0.26 0.00 0.00 58.87 55.10 3i1r n SER 89 Cb 0.11 -0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 63.39 3i1r n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i1r s ARG 90 N -3.24 0.07 0.12 4.33 3.52 -1.20 -5.08 118.95 117.47 3i1r s ARG 90 Ca 0.42 0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 56.27 3i1r s ARG 90 Cb 0.38 -0.21 -0.05 0.00 -1.56 0.00 0.00 34.95 33.51 3i1r s ARG 90 CO -0.10 -0.24 1.40 0.00 -0.81 0.00 0.00 175.30 175.55 3i1r h ALA 91 N 7.81 -0.42 -3.00 6.12 0.00 -1.96 -3.46 119.26 124.34 3i1r h ALA 91 Ca -0.28 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i1r h ALA 91 Cb 1.13 1.28 0.00 0.00 0.00 0.00 0.00 17.79 20.19 3i1r h ALA 91 CO 0.28 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 179.21 3i1r n GLY 92 N -1.19 3.15 3.81 0.00 0.00 -1.26 -5.05 105.19 104.64 3i1r n GLY 92 Ca 0.01 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3i1r n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 93 N 0.00 -0.93 0.00 -0.02 0.00 -1.26 -4.76 105.19 98.21 3i1r n GLY 93 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 46.02 46.53 3i1r n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1r n TYR 94 N -4.46 0.00 -3.89 1.61 4.01 -1.26 -4.81 117.16 108.37 3i1r n TYR 94 Ca -0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 3i1r n TYR 94 Cb 0.58 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.49 3i1r n TYR 94 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i1r s THR 95 N -2.00 0.03 0.07 -0.72 2.01 -1.26 -2.25 115.64 111.53 3i1r s THR 95 Ca 0.27 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3i1r s THR 95 Cb 0.12 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.47 3i1r s THR 95 CO 0.21 -0.14 -0.11 0.00 -0.69 0.00 0.00 174.62 173.89 3i1r s ARG 96 N -0.42 0.76 -0.13 4.92 1.70 -0.28 -4.94 118.95 120.55 3i1r s ARG 96 Ca -0.05 -0.98 -0.00 0.00 -0.47 0.00 0.00 55.73 54.23 3i1r s ARG 96 Cb -0.03 -0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 33.74 3i1r s ARG 96 CO -0.00 0.11 -0.12 0.42 -1.08 0.00 0.00 175.30 174.63 3i1r s ILE 97 N -1.73 3.13 -0.27 4.99 1.01 -1.26 -1.16 121.20 125.92 3i1r s ILE 97 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3i1r s ILE 97 Cb -0.07 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.13 3i1r s ILE 97 CO 0.01 0.52 -0.08 -0.76 0.00 0.00 0.00 174.94 174.64 3i1r s LEU 98 N 0.32 3.49 -0.02 2.97 1.43 0.40 -4.97 118.68 122.30 3i1r s LEU 98 Ca -0.10 -1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 51.43 3i1r s LEU 98 Cb -0.16 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 3i1r s LEU 98 CO 0.05 -0.20 1.42 -0.54 0.23 0.00 0.00 176.35 177.32 3i1r s LYS 99 N 1.18 4.26 0.00 1.70 1.02 -1.26 0.13 119.74 126.77 3i1r s LYS 99 Ca -0.06 1.97 0.00 0.00 0.02 0.00 0.00 55.97 57.90 3i1r s LYS 99 Cb -0.19 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 3i1r s LYS 99 CO -0.04 -0.62 0.19 0.00 -0.92 0.00 0.00 175.35 173.96 3i1r n GLY 101 N 0.37 -4.38 1.36 0.00 0.00 -0.69 -4.88 105.19 96.97 3i1r n GLY 101 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i1r n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1r n PHE 102 N 1.90 0.00 -2.83 1.61 3.72 -1.14 -4.71 117.46 116.02 3i1r n PHE 102 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3i1r n PHE 102 Cb 0.00 -1.36 -0.05 0.00 -0.94 0.00 0.00 39.48 37.13 3i1r n PHE 102 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i1r s ARG 103 N -0.69 4.71 0.02 -1.08 3.52 0.49 -4.89 118.95 121.03 3i1r s ARG 103 Ca 0.00 1.35 -0.26 0.00 -0.13 0.00 0.00 55.73 56.70 3i1r s ARG 103 Cb 0.00 -3.31 -0.17 0.00 -1.56 0.00 0.00 34.95 29.91 3i1r s ARG 103 CO 0.00 0.43 1.37 0.00 -0.81 0.00 0.00 175.30 176.29 3i1r h ALA 104 N 4.74 -0.29 -1.04 6.12 0.00 -1.95 0.38 119.26 127.21 3i1r h ALA 104 Ca -0.45 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 54.58 3i1r h ALA 104 Cb 1.20 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 3i1r h ALA 104 CO 0.69 -0.53 0.63 0.78 0.00 0.00 0.00 179.25 180.83 3i1r h GLY 105 N -0.57 1.65 -1.12 0.00 0.00 -1.99 -3.27 103.07 97.77 3i1r h GLY 105 Ca -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3i1r h GLY 105 CO 0.05 -0.25 -0.40 2.09 0.00 0.00 0.00 176.54 178.03 3i1r n ASP 106 N -4.80 0.03 -1.63 0.19 5.68 -1.23 -5.02 116.55 109.77 3i1r n ASP 106 Ca 0.28 -1.75 -0.14 0.00 -0.50 0.00 0.00 54.79 52.68 3i1r n ASP 106 Cb 0.87 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.65 3i1r n ASP 106 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i1r n ASN 107 N 0.03 -3.77 -4.75 -1.12 4.05 0.13 -4.90 115.26 104.93 3i1r n ASN 107 Ca -0.00 0.30 -0.41 0.00 0.45 0.00 0.00 54.58 54.92 3i1r n ASN 107 Cb 0.67 -3.43 -0.05 0.00 1.23 0.00 0.00 39.78 38.21 3i1r n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1r s ALA 108 N -2.28 3.36 0.25 5.20 0.00 -1.23 -4.56 121.76 122.50 3i1r s ALA 108 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 3i1r s ALA 108 Cb 0.00 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 3i1r s ALA 108 CO 0.00 -0.08 1.57 -1.25 0.00 0.00 0.00 175.76 176.00 3i1r s PRO 109 N -0.87 4.18 0.30 0.00 0.04 -1.26 -0.38 135.00 137.00 3i1r s PRO 109 Ca 0.46 2.47 0.07 0.00 0.04 0.00 0.00 61.00 64.04 3i1r s PRO 109 Cb -0.29 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 3i1r s PRO 109 CO 0.36 -0.59 -0.05 -1.64 0.04 0.00 0.00 177.00 175.12 3i1r s MET 110 N 0.02 1.62 -0.04 4.56 -1.94 -1.26 -1.11 119.30 121.15 3i1r s MET 110 Ca 0.65 -1.83 -0.29 0.00 -1.71 0.00 0.00 55.69 52.51 3i1r s MET 110 Cb -0.46 -1.23 0.10 0.00 2.01 0.00 0.00 34.83 35.25 3i1r s MET 110 CO 0.42 0.03 0.84 0.00 -0.01 0.00 0.00 175.02 176.30 3i1r s ALA 111 N -2.96 -1.81 0.04 3.03 0.00 0.07 -1.70 121.76 118.42 3i1r s ALA 111 Ca 0.31 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 53.30 3i1r s ALA 111 Cb 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 3i1r s ALA 111 CO 0.13 -0.52 0.46 0.71 0.00 0.00 0.00 175.76 176.54 3i1r s TYR 112 N -2.18 3.72 -0.03 0.00 2.02 0.35 -1.32 117.35 119.91 3i1r s TYR 112 Ca -0.01 1.05 0.05 0.00 -0.37 0.00 0.00 57.07 57.79 3i1r s TYR 112 Cb -0.01 -2.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 3i1r s TYR 112 CO -0.02 0.60 -0.18 -1.50 -1.57 0.00 0.00 175.55 172.88 3i1r s ILE 113 N -1.15 1.43 0.05 2.71 2.07 -0.26 0.15 121.20 126.20 3i1r s ILE 113 Ca 0.27 -0.75 -0.05 0.00 -1.41 0.00 0.00 60.65 58.71 3i1r s ILE 113 Cb -0.17 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 3i1r s ILE 113 CO 0.16 0.41 0.09 -1.83 -1.91 0.00 0.00 174.94 171.85 3i1r s GLU 114 N -0.24 0.66 0.80 3.50 -1.05 -0.31 -1.57 118.70 120.50 3i1r s GLU 114 Ca 0.03 -0.93 -0.10 0.00 -0.15 0.00 0.00 54.97 53.81 3i1r s GLU 114 Cb -0.09 0.26 0.08 0.00 -0.44 0.00 0.00 34.13 33.93 3i1r s GLU 114 CO 0.00 -0.17 1.10 -0.51 0.95 0.00 0.00 175.26 176.64 3i1r s LEU 115 N -2.53 2.97 -1.10 1.83 1.43 -0.15 -1.12 118.68 120.02 3i1r s LEU 115 Ca 0.01 1.88 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 3i1r s LEU 115 Cb 0.03 -4.51 0.28 0.00 0.03 0.00 0.00 46.19 42.02 3i1r s LEU 115 CO -0.08 -2.25 1.15 0.55 0.23 0.00 0.00 176.35 175.95 3i1r n VAL 116 N -3.67 4.56 0.00 -1.59 3.14 -0.95 -4.42 118.33 115.41 3i1r n VAL 116 Ca 0.09 -5.45 0.00 0.00 -2.96 0.00 0.00 64.34 56.03 3i1r n VAL 116 Cb 0.53 -2.50 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 3i1r n VAL 116 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3i1r n ASP 117 N 2.44 0.00 0.00 6.55 3.85 -1.26 -5.04 116.55 123.09 3i1r n ASP 117 Ca 0.24 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.32 3i1r n ASP 117 Cb 0.38 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 3i1r n ASP 117 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3i1r n ARG 118 N 0.00 0.00 0.00 0.11 1.74 -1.26 -4.86 116.66 112.39 3i1r n ARG 118 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1r n ARG 118 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i1r n ARG 118 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1r n SER 119 N 0.00 0.00 0.00 0.55 2.88 -1.26 -5.14 113.62 110.66 3i1r n SER 119 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i1r n SER 119 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i1r n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19