#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5r s MET 2 N 0.00 1.33 -0.13 -0.52 1.75 -0.32 -0.57 119.30 120.84 3l5r s MET 2 Ca 0.00 -0.21 0.03 0.00 -1.25 0.00 0.00 55.69 54.26 3l5r s MET 2 Cb 0.00 -1.37 0.01 0.00 2.84 0.00 0.00 34.83 36.31 3l5r s MET 2 CO 0.00 -0.20 -0.22 0.12 -0.65 0.00 0.00 175.02 174.07 3l5r s PHE 3 N 1.47 2.63 -0.10 4.11 5.36 -0.12 -1.12 117.98 130.21 3l5r s PHE 3 Ca -0.00 -1.29 0.03 0.00 -0.96 0.00 0.00 56.93 54.71 3l5r s PHE 3 Cb -0.13 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 3l5r s PHE 3 CO -0.05 -0.58 -0.21 0.42 -1.46 0.00 0.00 175.22 173.34 3l5r s ILE 4 N 0.75 2.33 -0.18 3.12 -1.09 -0.27 -1.21 121.20 124.65 3l5r s ILE 4 Ca -0.09 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 3l5r s ILE 4 Cb -0.16 -1.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 3l5r s ILE 4 CO -0.00 0.55 -0.19 0.68 -1.23 0.00 0.00 174.94 174.75 3l5r s VAL 5 N 0.28 2.12 -0.18 2.92 -7.23 0.26 -1.48 120.40 117.09 3l5r s VAL 5 Ca -0.15 -0.94 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 3l5r s VAL 5 Cb -0.17 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 3l5r s VAL 5 CO 0.08 0.52 0.01 0.20 -0.31 0.00 0.00 175.10 175.59 3l5r s ASN 6 N 1.29 5.03 0.04 4.85 0.01 -0.38 0.40 114.94 126.19 3l5r s ASN 6 Ca 0.05 -0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 51.99 3l5r s ASN 6 Cb -0.13 -1.85 0.01 0.00 0.41 0.00 0.00 41.25 39.69 3l5r s ASN 6 CO -0.12 0.13 0.21 0.28 -1.51 0.00 0.00 177.10 176.09 3l5r s THR 7 N 0.63 0.10 -1.94 1.60 -1.32 -0.29 -0.39 115.64 114.04 3l5r s THR 7 Ca -0.00 -0.84 0.28 0.00 -1.21 0.00 0.00 61.69 59.92 3l5r s THR 7 Cb -0.14 -0.89 0.47 0.00 -1.51 0.00 0.00 72.50 70.44 3l5r s THR 7 CO 0.02 -0.46 1.78 -0.46 -2.21 0.00 0.00 174.62 173.29 3l5r n ASN 8 N 0.71 0.85 -4.75 8.08 6.94 -1.22 -1.32 115.26 124.56 3l5r n ASN 8 Ca -0.19 -0.95 -0.41 0.00 -0.02 0.00 0.00 54.58 53.00 3l5r n ASN 8 Cb 0.59 0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 38.00 3l5r n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3l5r s VAL 9 N -2.31 2.31 0.64 3.53 1.01 -1.26 -4.21 120.40 120.11 3l5r s VAL 9 Ca 0.32 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 3l5r s VAL 9 Cb 0.20 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3l5r s VAL 9 CO 0.44 0.05 1.14 -2.16 0.00 0.00 0.00 175.10 174.56 3l5r s PRO 10 N -0.70 2.83 0.43 2.72 0.04 -1.26 -1.02 135.00 138.04 3l5r s PRO 10 Ca 0.60 1.52 0.09 0.00 0.04 0.00 0.00 61.00 63.25 3l5r s PRO 10 Cb -0.45 -1.94 0.95 0.00 0.04 0.00 0.00 34.50 33.10 3l5r s PRO 10 CO 0.48 -1.25 2.08 -0.09 0.04 0.00 0.00 177.00 178.26 3l5r h ARG 11 N 0.28 0.42 0.00 4.56 2.43 -1.93 -1.26 114.38 118.88 3l5r h ARG 11 Ca -0.48 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3l5r h ARG 11 Cb 1.26 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3l5r h ARG 11 CO 0.54 0.28 -0.01 0.00 -1.51 0.00 0.00 179.97 179.27 3l5r h ALA 12 N 1.80 1.02 -0.00 2.80 0.00 -2.03 -1.69 119.26 121.15 3l5r h ALA 12 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3l5r h ALA 12 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3l5r h ALA 12 CO -0.03 0.01 -0.38 0.43 0.00 0.00 0.00 179.25 179.28 3l5r n SER 13 N -3.12 0.62 -4.65 0.00 7.64 -0.48 -4.79 113.62 108.85 3l5r n SER 13 Ca -0.01 -0.41 -0.43 0.00 1.01 0.00 0.00 58.87 59.03 3l5r n SER 13 Cb 0.18 0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 3l5r n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3l5r s VAL 14 N -2.82 4.22 0.40 0.44 1.01 -0.64 -4.76 120.40 118.25 3l5r s VAL 14 Ca 0.16 1.44 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 3l5r s VAL 14 Cb 0.18 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3l5r s VAL 14 CO 0.63 -0.27 1.01 -2.16 0.00 0.00 0.00 175.10 174.31 3l5r s PRO 15 N 3.78 4.21 0.08 2.72 0.04 -1.26 -4.98 135.00 139.58 3l5r s PRO 15 Ca 0.56 1.40 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 3l5r s PRO 15 Cb -0.20 -2.48 -0.16 0.00 0.04 0.00 0.00 34.50 31.71 3l5r s PRO 15 CO 0.18 -0.08 1.42 -0.25 0.04 0.00 0.00 177.00 178.31 3l5r n ASP 16 N -0.16 2.01 0.00 6.66 10.43 -1.26 -2.10 116.55 132.13 3l5r n ASP 16 Ca 0.05 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.52 3l5r n ASP 16 Cb 0.51 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 42.23 3l5r n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3l5r n GLY 17 N 2.83 0.31 0.18 0.44 0.00 -1.26 -4.99 105.19 102.70 3l5r n GLY 17 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3l5r n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l5r h PHE 18 N 0.00 0.57 -0.74 1.61 3.57 -1.81 -0.74 116.94 119.40 3l5r h PHE 18 Ca 0.00 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 3l5r h PHE 18 Cb 0.00 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3l5r h PHE 18 CO 0.00 0.60 0.26 -0.07 -2.23 0.00 0.00 178.31 176.87 3l5r h LEU 19 N 0.38 1.05 -0.67 0.59 3.38 -1.94 -1.61 115.31 116.49 3l5r h LEU 19 Ca 0.10 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3l5r h LEU 19 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3l5r h LEU 19 CO 0.00 0.96 -0.16 0.28 0.09 0.00 0.00 178.44 179.62 3l5r h SER 20 N 1.08 0.87 -0.40 -0.43 0.02 -1.92 -0.36 113.55 112.42 3l5r h SER 20 Ca 0.24 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3l5r h SER 20 Cb 0.27 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3l5r h SER 20 CO -0.01 1.03 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.61 3l5r h GLU 21 N 0.77 0.71 -0.34 3.45 4.81 -0.87 -0.39 114.58 122.71 3l5r h GLU 21 Ca 0.12 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3l5r h GLU 21 Cb 0.68 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3l5r h GLU 21 CO 0.05 0.80 0.20 -0.07 -0.73 0.00 0.00 179.01 179.27 3l5r h LEU 22 N 0.54 0.41 -0.19 1.64 3.38 -1.14 -0.86 115.31 119.08 3l5r h LEU 22 Ca 0.11 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3l5r h LEU 22 Cb 0.49 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3l5r h LEU 22 CO 0.02 0.34 -0.05 0.74 0.09 0.00 0.00 178.44 179.58 3l5r h THR 23 N 0.44 0.79 -0.20 0.22 2.02 -0.81 -1.00 112.91 114.37 3l5r h THR 23 Ca 0.12 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 3l5r h THR 23 Cb 0.01 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3l5r h THR 23 CO -0.02 0.00 -0.32 1.56 0.37 0.00 0.00 175.52 177.11 3l5r h GLN 24 N -0.01 0.57 -0.01 6.66 4.20 -0.92 -1.57 115.11 124.03 3l5r h GLN 24 Ca 0.10 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 3l5r h GLN 24 Cb 0.15 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3l5r h GLN 24 CO -0.21 0.95 -0.44 1.96 -0.67 0.00 0.00 178.83 180.42 3l5r h GLN 25 N 0.24 0.03 -0.02 1.46 1.08 -1.13 -1.51 115.11 115.26 3l5r h GLN 25 Ca 0.02 -0.01 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 3l5r h GLN 25 Cb 0.90 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3l5r h GLN 25 CO 0.07 0.47 -0.87 -0.07 -0.95 0.00 0.00 178.83 177.48 3l5r h LEU 26 N 0.02 0.50 -0.31 1.46 3.38 -1.13 -0.38 115.31 118.84 3l5r h LEU 26 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3l5r h LEU 26 Cb 0.80 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3l5r h LEU 26 CO 0.06 1.16 0.20 0.00 0.09 0.00 0.00 178.44 179.95 3l5r h ALA 27 N 0.81 0.39 -0.39 1.53 0.00 -1.00 -0.28 119.26 120.33 3l5r h ALA 27 Ca -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3l5r h ALA 27 Cb 1.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3l5r h ALA 27 CO 0.15 -0.14 0.24 0.37 0.00 0.00 0.00 179.25 179.87 3l5r h GLN 28 N 0.41 0.53 -0.30 0.00 5.75 -1.25 -0.69 115.11 119.57 3l5r h GLN 28 Ca 0.11 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.38 3l5r h GLN 28 Cb -0.04 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3l5r h GLN 28 CO -0.02 0.40 -0.54 0.00 -2.65 0.00 0.00 178.83 176.01 3l5r h ALA 29 N 1.11 0.47 0.00 3.38 0.00 -0.83 -3.25 119.26 120.14 3l5r h ALA 29 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3l5r h ALA 29 Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3l5r h ALA 29 CO -0.03 0.68 -0.77 0.25 0.00 0.00 0.00 179.25 179.38 3l5r n THR 30 N -4.01 0.31 -1.02 0.00 -2.24 -0.14 -4.94 114.28 102.25 3l5r n THR 30 Ca -0.04 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 3l5r n THR 30 Cb 0.63 -0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3l5r n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l5r n GLY 31 N 1.34 0.42 3.87 3.38 0.00 -0.27 -4.96 105.19 108.96 3l5r n GLY 31 Ca 0.03 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3l5r n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l5r s LYS 32 N -0.71 3.83 0.45 1.61 -0.14 -1.17 -5.04 119.74 118.57 3l5r s LYS 32 Ca 0.00 0.28 -0.25 0.00 -1.36 0.00 0.00 55.97 54.64 3l5r s LYS 32 Cb 0.00 -2.85 -0.08 0.00 -1.68 0.00 0.00 37.83 33.22 3l5r s LYS 32 CO 0.00 0.45 1.40 -1.25 -0.76 0.00 0.00 175.35 175.19 3l5r s PRO 33 N -2.29 3.72 0.50 -1.68 0.04 -1.26 -4.52 135.00 129.50 3l5r s PRO 33 Ca 0.40 2.36 0.22 0.00 0.04 0.00 0.00 61.00 64.02 3l5r s PRO 33 Cb -0.13 -2.66 1.27 0.00 0.04 0.00 0.00 34.50 33.03 3l5r s PRO 33 CO 0.20 -0.77 1.98 -1.35 0.04 0.00 0.00 177.00 177.10 3l5r h PRO 34 N 2.35 0.14 0.00 0.56 0.11 -1.91 -1.30 132.00 131.96 3l5r h PRO 34 Ca -0.51 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3l5r h PRO 34 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3l5r h PRO 34 CO 0.61 0.09 -0.03 1.96 -0.21 0.00 0.00 178.00 180.42 3l5r h GLN 35 N 0.14 0.00 -0.31 1.05 7.50 -1.97 -2.33 115.11 119.19 3l5r h GLN 35 Ca 0.28 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.43 3l5r h GLN 35 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.45 3l5r h GLN 35 CO -0.04 0.03 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 3l5r n TYR 36 N -3.66 0.39 -3.21 2.96 4.01 -0.49 -4.93 117.16 112.24 3l5r n TYR 36 Ca -0.03 -0.23 -0.39 0.00 -0.16 0.00 0.00 57.90 57.09 3l5r n TYR 36 Cb 0.13 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 3l5r n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3l5r s ILE 37 N -1.36 5.09 -0.07 -0.72 -1.09 -0.88 -2.13 121.20 120.04 3l5r s ILE 37 Ca 0.32 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.82 3l5r s ILE 37 Cb 0.19 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3l5r s ILE 37 CO 0.27 0.19 -0.14 0.00 -1.23 0.00 0.00 174.94 174.02 3l5r s ALA 38 N 1.50 2.64 0.03 9.38 0.00 0.26 -4.98 121.76 130.60 3l5r s ALA 38 Ca 0.27 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3l5r s ALA 38 Cb -0.16 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3l5r s ALA 38 CO 0.10 0.48 -0.11 0.14 0.00 0.00 0.00 175.76 176.38 3l5r s VAL 39 N -0.48 0.82 -0.11 0.00 -7.23 -1.26 -0.94 120.40 111.20 3l5r s VAL 39 Ca 0.06 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 3l5r s VAL 39 Cb -0.12 -0.77 0.06 0.00 0.56 0.00 0.00 36.38 36.11 3l5r s VAL 39 CO 0.02 -0.09 0.24 -2.28 -0.31 0.00 0.00 175.10 172.67 3l5r s HIS 40 N -0.88 -0.35 -0.14 2.82 5.04 -0.35 -4.97 115.29 116.46 3l5r s HIS 40 Ca -0.02 0.85 0.02 0.00 -1.54 0.00 0.00 55.06 54.38 3l5r s HIS 40 Cb -0.07 -0.04 0.01 0.00 0.04 0.00 0.00 32.58 32.51 3l5r s HIS 40 CO 0.01 -0.30 -0.22 0.08 -2.34 0.00 0.00 174.74 171.97 3l5r s VAL 41 N 2.01 2.08 -0.41 0.89 1.01 -1.26 -0.58 120.40 124.14 3l5r s VAL 41 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3l5r s VAL 41 Cb -0.12 -1.83 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3l5r s VAL 41 CO -0.08 0.55 0.15 -0.69 0.00 0.00 0.00 175.10 175.03 3l5r s VAL 42 N 0.82 2.18 0.77 2.92 1.01 0.16 -4.98 120.40 123.29 3l5r s VAL 42 Ca -0.07 -2.63 -0.09 0.00 0.00 0.00 0.00 61.98 59.19 3l5r s VAL 42 Cb -0.15 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 33.76 3l5r s VAL 42 CO -0.02 -0.71 1.10 -2.16 0.00 0.00 0.00 175.10 173.31 3l5r s PRO 43 N 0.48 1.79 -1.33 2.72 0.04 -1.26 -1.13 135.00 136.31 3l5r s PRO 43 Ca 0.14 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.85 3l5r s PRO 43 Cb -0.22 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3l5r s PRO 43 CO -0.06 -1.56 0.00 -0.25 0.04 0.00 0.00 177.00 175.17 3l5r n ASP 44 N -3.14 -4.54 -4.83 6.66 8.00 -0.19 -4.86 116.55 113.65 3l5r n ASP 44 Ca 0.10 0.07 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 3l5r n ASP 44 Cb 0.60 -3.61 -0.07 0.00 -0.02 0.00 0.00 41.12 38.03 3l5r n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3l5r s GLN 45 N -4.41 4.15 -0.76 -1.24 -1.52 -0.43 -4.95 119.66 110.50 3l5r s GLN 45 Ca 0.00 0.91 -0.22 0.00 -1.95 0.00 0.00 55.36 54.11 3l5r s GLN 45 Cb 0.00 -2.36 0.08 0.00 -0.22 0.00 0.00 33.01 30.51 3l5r s GLN 45 CO 0.00 0.09 1.06 -1.17 -0.25 0.00 0.00 175.29 175.02 3l5r s LEU 46 N -2.98 4.39 0.12 2.90 2.96 -1.26 -4.12 118.68 120.69 3l5r s LEU 46 Ca 0.57 -1.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.13 3l5r s LEU 46 Cb -0.10 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.16 3l5r s LEU 46 CO 0.16 -1.39 0.28 0.00 -1.32 0.00 0.00 176.35 174.08 3l5r s MET 47 N 3.93 1.00 0.03 1.98 0.23 -1.26 -5.08 119.30 120.13 3l5r s MET 47 Ca 0.27 -0.95 0.02 0.00 -1.03 0.00 0.00 55.69 54.00 3l5r s MET 47 Cb -0.12 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 3l5r s MET 47 CO 0.04 -0.36 -0.06 0.00 -2.03 0.00 0.00 175.02 172.61 3l5r s ALA 48 N -3.87 0.44 -0.17 3.16 0.00 -1.26 -4.65 121.76 115.41 3l5r s ALA 48 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3l5r s ALA 48 Cb 0.03 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3l5r s ALA 48 CO -0.08 -0.03 -0.12 0.12 0.00 0.00 0.00 175.76 175.65 3l5r s PHE 49 N -1.18 2.24 -1.37 0.00 2.19 -0.58 -4.70 117.98 114.58 3l5r s PHE 49 Ca -0.09 -1.36 -0.01 0.00 0.33 0.00 0.00 56.93 55.80 3l5r s PHE 49 Cb -0.09 -1.59 0.00 0.00 -1.31 0.00 0.00 43.02 40.03 3l5r s PHE 49 CO 0.00 -0.70 0.13 0.41 1.83 0.00 0.00 175.22 176.89 3l5r n GLY 50 N 4.74 -0.30 2.80 13.12 0.00 -1.26 -2.33 105.19 121.97 3l5r n GLY 50 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3l5r n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l5r n GLY 51 N -1.11 2.55 3.82 -0.02 0.00 -1.26 -5.01 105.19 104.17 3l5r n GLY 51 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3l5r n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3l5r s SER 52 N -3.75 6.02 -0.17 1.61 0.15 -0.98 -5.00 113.70 111.58 3l5r s SER 52 Ca 0.00 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.12 3l5r s SER 52 Cb 0.00 -1.86 0.72 0.00 -1.71 0.00 0.00 66.02 63.17 3l5r s SER 52 CO 0.00 0.36 1.61 -1.54 1.20 0.00 0.00 173.24 174.87 3l5r n SER 53 N 1.77 4.99 -4.70 5.45 3.41 -1.26 -1.53 113.62 121.75 3l5r n SER 53 Ca -0.17 -2.69 -0.31 0.00 -0.26 0.00 0.00 58.87 55.44 3l5r n SER 53 Cb 0.54 -0.63 0.15 0.00 -0.26 0.00 0.00 64.21 64.01 3l5r n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3l5r s GLU 54 N -2.32 1.32 0.13 4.33 0.41 -1.26 -4.85 118.70 116.47 3l5r s GLU 54 Ca 0.49 1.48 -0.35 0.00 -0.41 0.00 0.00 54.97 56.17 3l5r s GLU 54 Cb 0.35 -1.77 -0.16 0.00 -1.78 0.00 0.00 34.13 30.78 3l5r s GLU 54 CO 0.18 -2.39 1.36 -2.30 -0.49 0.00 0.00 175.26 171.62 3l5r n PRO 55 N -4.03 1.46 -4.03 0.39 -0.02 -1.26 -4.79 135.00 122.71 3l5r n PRO 55 Ca 0.11 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3l5r n PRO 55 Cb 0.52 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 3l5r n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l5r s ALA 57 N -4.04 -0.43 -0.18 0.00 0.00 -0.75 -3.39 121.76 112.96 3l5r s ALA 57 Ca 0.25 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3l5r s ALA 57 Cb 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.85 3l5r s ALA 57 CO 0.09 -0.09 -0.19 -0.51 0.00 0.00 0.00 175.76 175.07 3l5r s LEU 58 N 0.14 2.20 0.23 0.00 1.43 0.48 -1.95 118.68 121.20 3l5r s LEU 58 Ca -0.00 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 3l5r s LEU 58 Cb -0.02 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 3l5r s LEU 58 CO -0.00 -0.00 -0.08 0.00 0.23 0.00 0.00 176.35 176.49 3l5r s SER 60 N -3.35 0.09 -0.13 0.00 1.04 -0.55 -0.99 113.70 109.82 3l5r s SER 60 Ca 0.26 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.45 3l5r s SER 60 Cb 0.02 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3l5r s SER 60 CO 0.08 -0.24 -0.11 -0.22 0.98 0.00 0.00 173.24 173.73 3l5r s LEU 61 N -1.02 1.47 -0.14 2.42 2.96 -0.28 -1.11 118.68 122.98 3l5r s LEU 61 Ca -0.11 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3l5r s LEU 61 Cb -0.07 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3l5r s LEU 61 CO 0.00 -0.09 0.00 -1.00 -1.32 0.00 0.00 176.35 173.95 3l5r s HIS 62 N 1.59 3.14 -0.02 5.38 3.76 -0.27 -1.04 115.29 127.82 3l5r s HIS 62 Ca 0.05 -0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 3l5r s HIS 62 Cb -0.13 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.65 3l5r s HIS 62 CO -0.10 0.20 0.24 0.45 -0.85 0.00 0.00 174.74 174.69 3l5r s SER 63 N -0.08 -0.13 -0.70 1.40 0.15 -0.66 -1.17 113.70 112.51 3l5r s SER 63 Ca 0.04 0.07 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 3l5r s SER 63 Cb -0.13 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 3l5r s SER 63 CO 0.02 -0.36 1.08 -0.63 1.20 0.00 0.00 173.24 174.55 3l5r s ILE 64 N -1.08 4.13 0.06 6.45 1.01 -1.26 -0.57 121.20 129.94 3l5r s ILE 64 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3l5r s ILE 64 Cb -0.05 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.65 3l5r s ILE 64 CO 0.03 -1.60 0.00 0.61 0.00 0.00 0.00 174.94 173.98 3l5r n GLY 65 N 5.37 -2.03 2.42 6.18 0.00 -1.26 -4.94 105.19 110.94 3l5r n GLY 65 Ca -0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 3l5r n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3l5r n LYS 66 N -1.36 -1.20 -5.05 1.61 4.76 -1.26 -4.92 118.16 110.74 3l5r n LYS 66 Ca 0.00 0.98 -0.32 0.00 -2.87 0.00 0.00 58.31 56.10 3l5r n LYS 66 Cb 0.11 -5.25 -0.15 0.00 -1.84 0.00 0.00 35.03 27.90 3l5r n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3l5r s ILE 67 N -2.69 2.59 0.00 -0.18 -1.09 -1.26 -4.82 121.20 113.75 3l5r s ILE 67 Ca 0.00 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 3l5r s ILE 67 Cb 0.00 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 3l5r s ILE 67 CO 0.00 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 3l5r n GLY 68 N 2.74 0.21 0.04 6.18 0.00 -1.26 -4.98 105.19 108.12 3l5r n GLY 68 Ca -0.17 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 3l5r n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l5r h GLY 69 N 0.00 -1.95 1.26 -0.02 0.00 -1.98 0.36 103.07 100.74 3l5r h GLY 69 Ca 0.00 0.86 -0.16 0.00 0.00 0.00 0.00 47.33 48.03 3l5r h GLY 69 CO 0.00 -0.72 -0.45 0.00 0.00 0.00 0.00 176.54 175.36 3l5r h ALA 70 N -1.16 0.62 -0.67 3.60 0.00 -1.99 -2.47 119.26 117.19 3l5r h ALA 70 Ca 0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3l5r h ALA 70 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3l5r h ALA 70 CO -0.05 0.68 0.18 1.96 0.00 0.00 0.00 179.25 182.02 3l5r h GLN 71 N 0.63 1.06 -0.29 0.00 4.20 -1.88 -1.23 115.11 117.60 3l5r h GLN 71 Ca 0.04 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 3l5r h GLN 71 Cb 1.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3l5r h GLN 71 CO 0.10 0.93 -0.24 -0.91 -0.67 0.00 0.00 178.83 178.04 3l5r h ASN 72 N 0.99 0.55 -0.64 1.46 2.35 -0.18 0.13 115.58 120.23 3l5r h ASN 72 Ca 0.21 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3l5r h ASN 72 Cb 0.34 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3l5r h ASN 72 CO -0.00 0.79 0.17 0.03 -1.65 0.00 0.00 177.43 176.77 3l5r h ARG 73 N 0.49 1.05 -0.37 0.81 3.08 -1.15 -1.16 114.38 117.12 3l5r h ARG 73 Ca 0.07 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 3l5r h ARG 73 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3l5r h ARG 73 CO 0.05 0.92 -0.12 1.03 -1.07 0.00 0.00 179.97 180.79 3l5r h SER 74 N 1.00 0.74 -0.77 7.04 0.87 -0.62 -2.02 113.55 119.80 3l5r h SER 74 Ca 0.21 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3l5r h SER 74 Cb 0.34 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3l5r h SER 74 CO -0.00 0.95 0.49 1.88 -0.53 0.00 0.00 176.83 179.62 3l5r h TYR 75 N 0.53 0.92 -0.69 2.24 0.05 -0.64 -1.85 116.97 117.53 3l5r h TYR 75 Ca 0.09 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 3l5r h TYR 75 Cb 0.64 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.04 3l5r h TYR 75 CO 0.05 0.54 0.17 0.77 -1.05 0.00 0.00 178.16 178.64 3l5r h SER 76 N 0.97 1.04 -0.60 3.88 0.02 -1.00 0.15 113.55 118.02 3l5r h SER 76 Ca 0.30 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3l5r h SER 76 Cb -0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 3l5r h SER 76 CO -0.10 1.01 0.17 0.50 -1.14 0.00 0.00 176.83 177.27 3l5r h LYS 77 N 1.03 0.94 0.03 3.45 3.64 -1.10 0.11 116.57 124.67 3l5r h LYS 77 Ca 0.22 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3l5r h LYS 77 Cb 0.37 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3l5r h LYS 77 CO 0.00 0.85 -0.01 1.25 -2.27 0.00 0.00 179.45 179.27 3l5r h LEU 78 N 0.86 -0.03 -0.17 5.20 5.85 -0.93 -1.87 115.31 124.21 3l5r h LEU 78 Ca 0.19 -0.24 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 3l5r h LEU 78 Cb 0.31 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3l5r h LEU 78 CO -0.00 0.22 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.70 3l5r h LEU 79 N -0.29 0.79 -1.14 2.25 3.38 -0.61 -1.24 115.31 118.44 3l5r h LEU 79 Ca -0.00 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 3l5r h LEU 79 Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3l5r h LEU 79 CO 0.01 1.24 0.24 0.00 0.09 0.00 0.00 178.44 180.02 3l5r h GLY 81 N 0.95 0.75 1.05 0.00 0.00 -1.01 -0.08 103.07 104.73 3l5r h GLY 81 Ca 0.20 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3l5r h GLY 81 CO -0.02 0.33 0.02 1.41 0.00 0.00 0.00 176.54 178.28 3l5r h LEU 82 N 0.66 0.97 -0.72 3.11 3.38 -0.81 -0.56 115.31 121.35 3l5r h LEU 82 Ca 0.17 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3l5r h LEU 82 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3l5r h LEU 82 CO -0.03 1.03 -0.41 -0.07 0.09 0.00 0.00 178.44 179.05 3l5r h LEU 83 N 0.88 0.52 0.16 1.67 3.38 -0.85 0.61 115.31 121.68 3l5r h LEU 83 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3l5r h LEU 83 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3l5r h LEU 83 CO 0.03 0.88 -0.07 0.00 0.09 0.00 0.00 178.44 179.36 3l5r h ALA 84 N 1.15 -0.21 -0.40 1.53 0.00 -0.89 -1.63 119.26 118.81 3l5r h ALA 84 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3l5r h ALA 84 Cb 0.90 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3l5r h ALA 84 CO 0.08 -0.46 0.03 1.49 0.00 0.00 0.00 179.25 180.39 3l5r h GLU 85 N -0.52 0.68 0.05 0.00 4.81 -1.00 -1.56 114.58 117.03 3l5r h GLU 85 Ca -0.02 -0.20 -0.34 0.00 -0.13 0.00 0.00 59.36 58.66 3l5r h GLU 85 Cb 0.40 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 3l5r h GLU 85 CO 0.04 0.75 -2.02 0.54 -0.73 0.00 0.00 179.01 177.59 3l5r n ARG 86 N -4.49 0.69 0.00 1.92 5.12 0.20 -4.42 116.66 115.69 3l5r n ARG 86 Ca -0.01 0.22 0.04 0.00 -1.93 0.00 0.00 57.85 56.17 3l5r n ARG 86 Cb 0.26 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 3l5r n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3l5r n LEU 87 N -3.20 1.11 -2.88 0.55 4.77 -0.69 -4.60 117.00 112.07 3l5r n LEU 87 Ca -0.29 -0.79 -0.19 0.00 -0.03 0.00 0.00 56.01 54.71 3l5r n LEU 87 Cb 1.06 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3l5r n LEU 87 CO 0.41 0.23 0.16 0.54 -1.33 0.00 0.00 177.39 177.40 3l5r n ARG 88 N -0.23 -5.89 -3.82 3.23 1.74 -0.59 -4.97 116.66 106.14 3l5r n ARG 88 Ca 0.03 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.44 3l5r n ARG 88 Cb 0.16 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.28 3l5r n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3l5r s ILE 89 N -3.21 5.04 0.26 0.55 1.01 -0.86 -4.94 121.20 119.03 3l5r s ILE 89 Ca 0.42 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 3l5r s ILE 89 Cb -0.19 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.85 3l5r s ILE 89 CO 0.52 0.41 1.66 -1.20 0.00 0.00 0.00 174.94 176.33 3l5r n SER 90 N 3.93 3.94 -0.11 3.58 7.64 -1.26 -3.43 113.62 127.90 3l5r n SER 90 Ca -0.16 1.11 0.18 0.00 1.01 0.00 0.00 58.87 61.01 3l5r n SER 90 Cb 0.52 -1.59 0.57 0.00 -1.01 0.00 0.00 64.21 62.71 3l5r n SER 90 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3l5r h PRO 91 N 5.67 0.26 -0.07 1.43 0.11 -1.97 -0.18 132.00 137.26 3l5r h PRO 91 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3l5r h PRO 91 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3l5r h PRO 91 CO 0.87 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 3l5r n ASP 92 N -4.44 0.53 -1.00 -2.05 5.75 -1.26 -2.60 116.55 111.48 3l5r n ASP 92 Ca 0.13 -1.64 -0.02 0.00 -0.01 0.00 0.00 54.79 53.24 3l5r n ASP 92 Cb 0.58 -0.04 0.17 0.00 -1.03 0.00 0.00 41.12 40.79 3l5r n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3l5r n ARG 93 N -0.38 2.08 -4.93 0.11 1.74 -0.08 -5.00 116.66 110.21 3l5r n ARG 93 Ca 0.12 -3.49 -0.28 0.00 -0.77 0.00 0.00 57.85 53.43 3l5r n ARG 93 Cb 0.13 -1.80 -0.17 0.00 -1.02 0.00 0.00 32.46 29.61 3l5r n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3l5r s VAL 94 N -3.56 1.63 -0.08 1.55 1.01 -1.07 -1.80 120.40 118.07 3l5r s VAL 94 Ca 0.42 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3l5r s VAL 94 Cb 0.39 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3l5r s VAL 94 CO -0.04 0.46 -0.15 -0.31 0.00 0.00 0.00 175.10 175.06 3l5r s TYR 95 N 0.41 2.70 -0.18 5.22 2.02 -0.82 -5.01 117.35 121.69 3l5r s TYR 95 Ca -0.15 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3l5r s TYR 95 Cb -0.16 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3l5r s TYR 95 CO 0.06 -0.02 -0.08 0.42 -1.57 0.00 0.00 175.55 174.36 3l5r s ILE 96 N -0.26 1.40 -0.17 2.71 1.01 -1.26 -0.50 121.20 124.14 3l5r s ILE 96 Ca 0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 3l5r s ILE 96 Cb -0.13 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3l5r s ILE 96 CO 0.03 0.18 0.61 0.20 0.00 0.00 0.00 174.94 175.96 3l5r s ASN 97 N 1.51 6.72 -0.17 3.58 0.01 -0.16 -4.95 114.94 121.48 3l5r s ASN 97 Ca 0.00 0.87 -0.09 0.00 -0.71 0.00 0.00 52.86 52.93 3l5r s ASN 97 Cb -0.15 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 3l5r s ASN 97 CO -0.08 -0.20 0.13 -0.31 -1.51 0.00 0.00 177.10 175.13 3l5r s TYR 98 N 1.54 3.47 -0.13 2.20 2.02 -1.26 -1.12 117.35 124.07 3l5r s TYR 98 Ca 0.29 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 3l5r s TYR 98 Cb -0.16 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 3l5r s TYR 98 CO 0.11 0.44 -0.12 0.71 -1.57 0.00 0.00 175.55 175.12 3l5r s TYR 99 N -0.11 1.92 -0.64 2.71 2.02 -0.20 -4.98 117.35 118.07 3l5r s TYR 99 Ca 0.10 -1.01 -0.21 0.00 -0.37 0.00 0.00 57.07 55.58 3l5r s TYR 99 Cb -0.11 -1.45 0.08 0.00 -0.40 0.00 0.00 41.96 40.08 3l5r s TYR 99 CO 0.00 -0.58 0.87 0.34 -1.57 0.00 0.00 175.55 174.61 3l5r s ASP 100 N 1.45 6.18 0.13 2.29 -1.08 -1.26 -1.65 116.67 122.72 3l5r s ASP 100 Ca 0.03 -1.18 -0.26 0.00 -0.52 0.00 0.00 52.55 50.62 3l5r s ASP 100 Cb -0.13 -2.37 -0.07 0.00 -1.46 0.00 0.00 42.92 38.88 3l5r s ASP 100 CO -0.08 -1.31 0.80 -0.04 0.52 0.00 0.00 175.17 175.05 3l5r s MET 101 N 3.52 4.57 0.31 4.34 -1.94 0.26 -4.89 119.30 125.47 3l5r s MET 101 Ca 0.18 1.17 -0.28 0.00 -1.71 0.00 0.00 55.69 55.05 3l5r s MET 101 Cb -0.20 -3.30 -0.09 0.00 2.01 0.00 0.00 34.83 33.25 3l5r s MET 101 CO 0.08 0.45 1.07 1.21 -0.01 0.00 0.00 175.02 177.82 3l5r s ASN 102 N -0.71 7.18 0.47 3.03 2.47 -1.26 -4.03 114.94 122.10 3l5r s ASN 102 Ca 0.38 2.17 0.20 0.00 0.42 0.00 0.00 52.86 56.03 3l5r s ASN 102 Cb -0.22 -2.61 1.21 0.00 -1.45 0.00 0.00 41.25 38.17 3l5r s ASN 102 CO 0.26 -0.20 1.95 0.00 -3.72 0.00 0.00 177.10 175.39 3l5r h ALA 103 N 3.50 2.30 0.00 1.71 0.00 -1.95 0.13 119.26 124.95 3l5r h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3l5r h ALA 103 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3l5r h ALA 103 CO 0.66 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3l5r h ALA 104 N 1.68 1.00 -0.50 0.00 0.00 -1.92 -2.79 119.26 116.74 3l5r h ALA 104 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3l5r h ALA 104 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3l5r h ALA 104 CO -0.07 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.27 3l5r n ASN 105 N -2.65 4.95 -3.99 0.00 5.03 0.45 -4.85 115.26 114.21 3l5r n ASN 105 Ca 0.02 -2.83 -0.30 0.00 0.87 0.00 0.00 54.58 52.35 3l5r n ASN 105 Cb 0.31 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.30 3l5r n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3l5r s VAL 106 N -2.54 1.49 0.19 2.41 1.01 -1.14 -4.89 120.40 116.92 3l5r s VAL 106 Ca 0.49 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3l5r s VAL 106 Cb 0.37 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 3l5r s VAL 106 CO 0.16 0.35 0.59 -0.83 0.00 0.00 0.00 175.10 175.37 3l5r s GLY 107 N 1.50 2.44 -0.28 4.51 0.00 -1.26 -2.47 107.32 111.75 3l5r s GLY 107 Ca 0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.41 3l5r s GLY 107 CO -0.10 0.16 1.05 0.86 0.00 0.00 0.00 173.10 175.08 3l5r s TRP 108 N -1.58 -0.46 -1.34 1.90 -0.00 0.52 -4.95 118.94 113.02 3l5r s TRP 108 Ca 0.42 1.11 -0.02 0.00 -0.00 0.00 0.00 56.10 57.61 3l5r s TRP 108 Cb -0.14 0.37 0.01 0.00 -0.00 0.00 0.00 33.47 33.71 3l5r s TRP 108 CO 0.20 -0.22 0.73 -1.71 -0.00 0.00 0.00 176.95 175.94 3l5r n ASN 109 N 2.31 -1.65 0.00 5.86 4.05 -1.26 -1.49 115.26 123.08 3l5r n ASN 109 Ca -0.13 -0.82 0.00 0.00 0.45 0.00 0.00 54.58 54.08 3l5r n ASN 109 Cb 0.56 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.56 3l5r n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3l5r n ASN 110 N -3.03 0.00 0.00 1.20 3.02 -1.26 -4.89 115.26 110.30 3l5r n ASN 110 Ca -0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3l5r n ASN 110 Cb 0.66 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3l5r n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3l5r n SER 111 N 0.00 0.00 -2.07 6.41 2.88 -0.55 -5.19 113.62 115.10 3l5r n SER 111 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3l5r n SER 111 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3l5r n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3l5r n THR 112 N 0.00 0.00 0.82 2.46 -2.24 -1.26 -0.36 114.28 113.70 3l5r n THR 112 Ca 0.00 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.46 3l5r n THR 112 Cb 0.00 0.13 0.27 0.00 -2.10 0.00 0.00 70.33 68.63 3l5r n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3l5r n PHE 113 N -0.18 0.42 -3.24 4.78 3.72 -1.03 -4.60 117.46 117.32 3l5r n PHE 113 Ca -0.02 -0.21 -0.46 0.00 -0.05 0.00 0.00 57.45 56.71 3l5r n PHE 113 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 3l5r n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3l5r s ALA 114 N -1.58 3.81 -1.01 4.37 0.00 -1.20 -4.75 121.76 121.40 3l5r s ALA 114 Ca 0.32 -2.95 0.09 0.00 0.00 0.00 0.00 51.96 49.43 3l5r s ALA 114 Cb 0.17 -3.54 0.16 0.00 0.00 0.00 0.00 23.12 19.92 3l5r s ALA 114 CO 0.25 -2.33 1.00 1.28 0.00 0.00 0.00 175.76 175.95 3l5r n LEU 115 N 4.89 2.27 -0.02 0.00 4.77 -1.26 -4.67 117.00 122.98 3l5r n LEU 115 Ca 0.06 -1.47 -0.09 0.00 -0.03 0.00 0.00 56.01 54.49 3l5r n LEU 115 Cb 0.45 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 3l5r n LEU 115 CO 0.43 0.51 -0.50 -0.33 -1.33 0.00 0.00 177.39 176.17 3l5r h GLU 116 N 1.82 0.01 -5.06 3.23 3.07 -1.99 -3.47 114.58 112.18 3l5r h GLU 116 Ca 0.00 -0.01 -0.37 0.00 -0.50 0.00 0.00 59.36 58.48 3l5r h GLU 116 Cb 0.54 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.23 3l5r h GLU 116 CO 0.00 0.53 -0.77 -1.01 -1.40 0.00 0.00 179.01 176.37 3l5r s HIS 117 N -2.60 1.02 0.00 4.33 3.76 -1.26 -5.33 115.29 115.20 3l5r s HIS 117 Ca -0.05 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 3l5r s HIS 117 Cb 0.08 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.18 3l5r s HIS 117 CO 0.82 0.01 0.00 -2.39 -0.85 0.00 0.00 174.74 172.33