#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 0.92 -0.16 -0.52 1.75 -0.32 -0.43 119.30 120.54 3l5r s MET 2 Ca 0.00 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 3l5r s MET 2 Cb 0.00 -1.15 0.00 0.00 2.84 0.00 0.00 34.83 36.52 3l5r s MET 2 CO 0.00 -0.26 -0.18 0.12 -0.65 0.00 0.00 175.02 174.05 3l5r s PHE 3 N 1.77 2.75 -0.10 4.11 5.36 0.12 -1.00 117.98 130.99 3l5r s PHE 3 Ca 0.03 -1.22 0.02 0.00 -0.96 0.00 0.00 56.93 54.80 3l5r s PHE 3 Cb -0.13 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3l5r s PHE 3 CO -0.05 -0.57 -0.18 0.42 -1.46 0.00 0.00 175.22 173.37 3l5r s ILE 4 N 0.92 2.64 -0.19 3.12 -1.09 -0.55 -1.30 121.20 124.75 3l5r s ILE 4 Ca -0.04 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3l5r s ILE 4 Cb -0.15 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.70 3l5r s ILE 4 CO -0.03 0.55 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.36 3l5r s VAL 5 N 0.10 2.16 -0.19 2.92 1.01 0.54 -1.95 120.40 124.99 3l5r s VAL 5 Ca -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 3l5r s VAL 5 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3l5r s VAL 5 CO 0.05 0.51 -0.04 0.20 0.00 0.00 0.00 175.10 175.82 3l5r s ASN 6 N 1.30 4.49 0.05 3.32 0.01 -0.37 0.14 114.94 123.88 3l5r s ASN 6 Ca 0.05 -0.29 -0.10 0.00 -0.71 0.00 0.00 52.86 51.81 3l5r s ASN 6 Cb -0.13 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.78 3l5r s ASN 6 CO -0.12 0.06 0.20 0.28 -1.51 0.00 0.00 177.10 176.02 3l5r s THR 7 N 0.99 0.11 -2.43 1.60 -1.32 -0.45 -0.49 115.64 113.66 3l5r s THR 7 Ca 0.00 -0.94 0.28 0.00 -1.21 0.00 0.00 61.69 59.82 3l5r s THR 7 Cb -0.15 -1.02 0.49 0.00 -1.51 0.00 0.00 72.50 70.32 3l5r s THR 7 CO 0.01 -0.52 1.69 -0.46 -2.21 0.00 0.00 174.62 173.13 3l5r n ASN 8 N 0.50 1.52 -4.75 8.08 6.94 -1.24 -0.85 115.26 125.45 3l5r n ASN 8 Ca -0.18 -1.45 -0.41 0.00 -0.02 0.00 0.00 54.58 52.52 3l5r n ASN 8 Cb 0.60 0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 38.02 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 -2.07 2.42 0.69 3.53 1.01 -1.26 -4.27 120.40 120.45 3l5r s VAL 9 Ca 0.36 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 3l5r s VAL 9 Cb 0.21 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3l5r s VAL 9 CO 0.36 0.07 1.19 -2.16 0.00 0.00 0.00 175.10 174.56 3l5r s PRO 10 N -0.79 2.41 0.32 2.72 0.04 -1.26 -1.20 135.00 137.25 3l5r s PRO 10 Ca 0.58 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.37 3l5r s PRO 10 Cb -0.44 -1.87 0.62 0.00 0.04 0.00 0.00 34.50 32.85 3l5r s PRO 10 CO 0.48 -1.62 1.92 -0.09 0.04 0.00 0.00 177.00 177.73 3l5r h ARG 11 N -0.00 0.88 0.00 4.56 9.65 -1.93 -1.28 114.38 126.26 3l5r h ARG 11 Ca -0.48 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3l5r h ARG 11 Cb 1.29 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 3l5r h ARG 11 CO 0.51 0.58 0.00 0.00 2.80 0.00 0.00 179.97 183.87 3l5r h ALA 12 N 1.55 1.00 -0.01 2.80 0.00 -2.03 -1.97 119.26 120.59 3l5r h ALA 12 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3l5r h ALA 12 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3l5r h ALA 12 CO -0.15 0.00 -0.07 0.43 0.00 0.00 0.00 179.25 179.46 3l5r n SER 13 N -2.71 1.14 -4.56 0.00 7.64 -0.49 -4.71 113.62 109.93 3l5r n SER 13 Ca 0.01 -1.21 -0.43 0.00 1.01 0.00 0.00 58.87 58.26 3l5r n SER 13 Cb 0.28 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.17 4.62 0.46 0.44 1.01 -0.74 -4.73 120.40 119.28 3l5r s VAL 14 Ca 0.35 0.69 -0.24 0.00 0.00 0.00 0.00 61.98 62.78 3l5r s VAL 14 Cb 0.21 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3l5r s VAL 14 CO 0.40 -0.66 1.24 -2.16 0.00 0.00 0.00 175.10 173.92 3l5r s PRO 15 N 3.38 3.70 0.29 2.72 0.04 -1.26 -4.95 135.00 138.91 3l5r s PRO 15 Ca 0.33 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 3l5r s PRO 15 Cb -0.12 -2.49 -0.12 0.00 0.04 0.00 0.00 34.50 31.81 3l5r s PRO 15 CO 0.22 -0.66 1.46 -0.25 0.04 0.00 0.00 177.00 177.81 3l5r n ASP 16 N -0.40 3.23 0.00 6.66 10.43 -1.26 -2.03 116.55 133.18 3l5r n ASP 16 Ca 0.07 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.59 3l5r n ASP 16 Cb 0.46 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 41.91 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 1.78 0.74 0.20 0.44 0.00 -1.26 -4.95 105.19 102.14 3l5r n GLY 17 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.66 -0.62 1.61 3.57 -1.78 -0.22 116.94 120.17 3l5r h PHE 18 Ca 0.00 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 3l5r h PHE 18 Cb 0.00 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3l5r h PHE 18 CO 0.00 0.66 0.11 -0.07 -2.23 0.00 0.00 178.31 176.78 3l5r h LEU 19 N 0.47 0.94 -0.52 0.59 3.38 -1.92 -0.56 115.31 117.69 3l5r h LEU 19 Ca 0.11 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3l5r h LEU 19 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3l5r h LEU 19 CO 0.01 0.94 -0.27 0.28 0.09 0.00 0.00 178.44 179.49 3l5r h SER 20 N 0.94 0.95 -0.54 -0.43 0.02 -1.94 -1.12 113.55 111.43 3l5r h SER 20 Ca 0.19 -0.38 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 3l5r h SER 20 Cb 0.39 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3l5r h SER 20 CO 0.01 1.16 0.03 -0.08 -1.14 0.00 0.00 176.83 176.81 3l5r h GLU 21 N 0.78 0.93 -0.73 3.45 4.81 -0.74 -1.18 114.58 121.90 3l5r h GLU 21 Ca 0.09 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3l5r h GLU 21 Cb 0.84 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3l5r h GLU 21 CO 0.07 0.93 0.38 -0.07 -0.73 0.00 0.00 179.01 179.59 3l5r h LEU 22 N 0.81 0.92 -0.04 1.64 3.38 -1.01 -0.67 115.31 120.34 3l5r h LEU 22 Ca 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3l5r h LEU 22 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3l5r h LEU 22 CO 0.02 0.77 0.00 0.74 0.09 0.00 0.00 178.44 180.06 3l5r h THR 23 N 1.01 0.98 -0.32 0.22 2.02 -0.86 -0.76 112.91 115.19 3l5r h THR 23 Ca 0.25 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.39 3l5r h THR 23 Cb 0.06 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3l5r h THR 23 CO -0.04 0.00 0.04 1.56 0.37 0.00 0.00 175.52 177.45 3l5r h GLN 24 N 0.02 0.54 -0.33 6.66 1.08 -1.02 -1.43 115.11 120.62 3l5r h GLN 24 Ca 0.02 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 3l5r h GLN 24 Cb 0.02 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 3l5r h GLN 24 CO -0.03 0.64 -0.08 1.96 -0.95 0.00 0.00 178.83 180.38 3l5r h GLN 25 N 0.36 0.55 -0.01 1.46 1.08 -1.05 -2.04 115.11 115.45 3l5r h GLN 25 Ca 0.09 -0.15 -0.21 0.00 -1.45 0.00 0.00 58.65 56.94 3l5r h GLN 25 Cb 0.38 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3l5r h GLN 25 CO 0.01 0.64 -0.89 -0.07 -0.95 0.00 0.00 178.83 177.57 3l5r h LEU 26 N 0.51 0.44 -0.31 1.46 3.38 -1.00 -1.27 115.31 118.52 3l5r h LEU 26 Ca 0.10 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3l5r h LEU 26 Cb 0.46 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3l5r h LEU 26 CO 0.02 1.13 0.14 0.00 0.09 0.00 0.00 178.44 179.82 3l5r h ALA 27 N 0.84 0.41 -0.65 1.53 0.00 -1.05 -0.15 119.26 120.20 3l5r h ALA 27 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3l5r h ALA 27 Cb 1.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3l5r h ALA 27 CO 0.15 -0.01 0.38 0.37 0.00 0.00 0.00 179.25 180.14 3l5r h GLN 28 N 0.36 0.88 -0.20 0.00 4.15 -1.34 0.08 115.11 119.04 3l5r h GLN 28 Ca 0.11 -0.08 -0.21 0.00 0.77 0.00 0.00 58.65 59.23 3l5r h GLN 28 Cb 0.16 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.67 3l5r h GLN 28 CO -0.01 0.64 -0.69 0.00 -1.93 0.00 0.00 178.83 176.83 3l5r h ALA 29 N 1.19 0.38 0.00 3.38 0.00 -0.93 -3.27 119.26 120.01 3l5r h ALA 29 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3l5r h ALA 29 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3l5r h ALA 29 CO -0.04 0.69 -1.11 0.25 0.00 0.00 0.00 179.25 179.04 3l5r n THR 30 N -3.96 0.52 -0.11 0.00 -2.24 -0.09 -4.95 114.28 103.45 3l5r n THR 30 Ca -0.06 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3l5r n THR 30 Cb 0.70 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.20 2.33 3.79 3.38 0.00 0.01 -4.98 105.19 110.92 3l5r n GLY 31 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.16 3.92 0.46 1.61 -0.14 -1.22 -4.99 119.74 119.22 3l5r s LYS 32 Ca 0.00 1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 55.87 3l5r s LYS 32 Cb 0.00 -2.32 -0.07 0.00 -1.68 0.00 0.00 37.83 33.76 3l5r s LYS 32 CO 0.00 -0.35 1.17 -1.25 -0.76 0.00 0.00 175.35 174.16 3l5r s PRO 33 N -2.86 3.75 0.41 -1.68 0.04 -1.26 -4.49 135.00 128.91 3l5r s PRO 33 Ca 0.63 1.79 0.15 0.00 0.04 0.00 0.00 61.00 63.62 3l5r s PRO 33 Cb -0.21 -2.41 1.02 0.00 0.04 0.00 0.00 34.50 32.94 3l5r s PRO 33 CO 0.25 -0.57 1.89 -1.35 0.04 0.00 0.00 177.00 177.27 3l5r h PRO 34 N 2.05 0.44 -0.05 0.56 0.11 -1.91 -1.07 132.00 132.13 3l5r h PRO 34 Ca -0.49 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3l5r h PRO 34 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3l5r h PRO 34 CO 0.60 0.29 0.09 1.96 -0.21 0.00 0.00 178.00 180.73 3l5r h GLN 35 N 0.46 0.00 -0.36 1.05 7.50 -1.98 -1.63 115.11 120.15 3l5r h GLN 35 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 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 -0.15 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.84 3l5r n TYR 36 N -3.55 0.47 -3.36 2.96 4.01 -0.41 -4.93 117.16 112.36 3l5r n TYR 36 Ca -0.02 -0.30 -0.38 0.00 -0.16 0.00 0.00 57.90 57.05 3l5r n TYR 36 Cb 0.17 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.22 5.21 -0.06 -0.72 -1.09 -0.62 -1.64 121.20 121.06 3l5r s ILE 37 Ca 0.32 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.64 3l5r s ILE 37 Cb 0.18 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 3l5r s ILE 37 CO 0.25 0.32 -0.19 0.00 -1.23 0.00 0.00 174.94 174.09 3l5r s ALA 38 N 0.74 2.43 0.04 9.38 0.00 0.42 -4.97 121.76 129.80 3l5r s ALA 38 Ca 0.23 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3l5r s ALA 38 Cb -0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3l5r s ALA 38 CO 0.09 0.46 -0.11 0.14 0.00 0.00 0.00 175.76 176.33 3l5r s VAL 39 N -0.35 0.88 -0.13 0.00 -7.23 -1.26 -0.70 120.40 111.60 3l5r s VAL 39 Ca 0.03 -0.92 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 3l5r s VAL 39 Cb -0.12 -0.83 0.07 0.00 0.56 0.00 0.00 36.38 36.05 3l5r s VAL 39 CO 0.02 -0.08 0.27 -2.28 -0.31 0.00 0.00 175.10 172.73 3l5r s HIS 40 N -0.89 -0.45 -0.11 2.82 5.04 -0.42 -4.97 115.29 116.31 3l5r s HIS 40 Ca -0.01 1.01 0.03 0.00 -1.54 0.00 0.00 55.06 54.55 3l5r s HIS 40 Cb -0.08 -0.01 -0.00 0.00 0.04 0.00 0.00 32.58 32.53 3l5r s HIS 40 CO 0.01 -0.36 -0.21 0.08 -2.34 0.00 0.00 174.74 171.91 3l5r s VAL 41 N 2.43 2.30 -0.41 0.89 1.01 -1.26 -0.34 120.40 125.02 3l5r s VAL 41 Ca 0.01 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3l5r s VAL 41 Cb -0.12 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.48 3l5r s VAL 41 CO -0.09 0.55 0.16 -0.69 0.00 0.00 0.00 175.10 175.04 3l5r s VAL 42 N 0.33 1.94 0.87 2.92 1.01 0.12 -4.97 120.40 122.63 3l5r s VAL 42 Ca -0.17 -2.53 -0.12 0.00 0.00 0.00 0.00 61.98 59.16 3l5r s VAL 42 Cb -0.17 -2.40 0.16 0.00 0.00 0.00 0.00 36.38 33.97 3l5r s VAL 42 CO 0.08 -0.74 1.22 -2.16 0.00 0.00 0.00 175.10 173.50 3l5r s PRO 43 N 0.54 1.14 -1.69 2.72 0.04 -1.26 -1.34 135.00 135.15 3l5r s PRO 43 Ca 0.14 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.73 3l5r s PRO 43 Cb -0.22 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3l5r s PRO 43 CO -0.07 -2.02 0.00 -0.25 0.04 0.00 0.00 177.00 174.70 3l5r n ASP 44 N -3.46 -5.37 -4.83 6.66 8.00 -0.34 -4.84 116.55 112.37 3l5r n ASP 44 Ca 0.14 0.09 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 3l5r n ASP 44 Cb 0.60 -4.45 -0.07 0.00 -0.02 0.00 0.00 41.12 37.19 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 -4.62 4.17 -0.63 -1.24 -1.52 -0.03 -4.94 119.66 110.84 3l5r s GLN 45 Ca 0.00 0.93 -0.22 0.00 -1.95 0.00 0.00 55.36 54.12 3l5r s GLN 45 Cb 0.00 -2.39 0.07 0.00 -0.22 0.00 0.00 33.01 30.47 3l5r s GLN 45 CO 0.00 0.11 0.91 -1.17 -0.25 0.00 0.00 175.29 174.89 3l5r s LEU 46 N -2.90 4.51 0.13 2.90 2.96 -1.26 -4.03 118.68 120.98 3l5r s LEU 46 Ca 0.56 -0.98 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 3l5r s LEU 46 Cb -0.11 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.14 3l5r s LEU 46 CO 0.16 -1.35 0.32 0.00 -1.32 0.00 0.00 176.35 174.16 3l5r s MET 47 N 3.81 1.07 0.05 1.98 0.23 -1.26 -5.08 119.30 120.10 3l5r s MET 47 Ca 0.21 -0.94 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 3l5r s MET 47 Cb -0.17 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 3l5r s MET 47 CO 0.11 -0.40 -0.07 0.00 -2.03 0.00 0.00 175.02 172.63 3l5r s ALA 48 N -3.88 0.59 -0.13 3.16 0.00 -1.26 -4.60 121.76 115.65 3l5r s ALA 48 Ca 0.08 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3l5r s ALA 48 Cb 0.03 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.27 3l5r s ALA 48 CO -0.07 -0.09 -0.03 0.12 0.00 0.00 0.00 175.76 175.68 3l5r s PHE 49 N -1.91 1.27 -1.65 0.00 2.19 -0.36 -4.72 117.98 112.80 3l5r s PHE 49 Ca -0.06 -0.70 0.00 0.00 0.33 0.00 0.00 56.93 56.50 3l5r s PHE 49 Cb -0.06 -1.11 0.00 0.00 -1.31 0.00 0.00 43.02 40.53 3l5r s PHE 49 CO -0.01 -0.51 0.00 0.41 1.83 0.00 0.00 175.22 176.94 3l5r n GLY 50 N 4.99 1.06 1.72 13.12 0.00 -1.26 -2.11 105.19 122.71 3l5r n GLY 50 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.97 0.93 3.61 -0.02 0.00 -1.26 -5.05 105.19 102.43 3l5r n GLY 51 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.02 4.76 -0.19 1.61 0.15 -0.90 -5.01 113.70 111.10 3l5r s SER 52 Ca 0.00 -0.02 0.14 0.00 0.70 0.00 0.00 55.95 56.77 3l5r s SER 52 Cb 0.00 -1.21 0.73 0.00 -1.71 0.00 0.00 66.02 63.83 3l5r s SER 52 CO 0.00 0.35 1.62 -1.54 1.20 0.00 0.00 173.24 174.86 3l5r n SER 53 N 2.03 5.09 -4.58 5.45 3.41 -1.26 -1.23 113.62 122.53 3l5r n SER 53 Ca -0.17 -2.73 -0.29 0.00 -0.26 0.00 0.00 58.87 55.42 3l5r n SER 53 Cb 0.53 -0.64 0.21 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.40 -0.11 0.20 4.33 2.02 -1.26 -4.88 118.70 116.60 3l5r s GLU 54 Ca 0.49 0.91 -0.33 0.00 0.02 0.00 0.00 54.97 56.06 3l5r s GLU 54 Cb 0.36 -1.64 -0.14 0.00 0.10 0.00 0.00 34.13 32.80 3l5r s GLU 54 CO 0.17 -3.20 1.40 -2.30 0.02 0.00 0.00 175.26 171.35 3l5r n PRO 55 N -4.56 1.84 -3.94 0.39 -0.02 -1.26 -4.85 135.00 122.60 3l5r n PRO 55 Ca 0.05 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 3l5r n PRO 55 Cb 0.54 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 -3.98 -0.38 -0.16 0.00 0.00 -0.76 -3.64 121.76 112.84 3l5r s ALA 57 Ca 0.19 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3l5r s ALA 57 Cb -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3l5r s ALA 57 CO 0.06 -0.09 -0.21 -0.51 0.00 0.00 0.00 175.76 175.01 3l5r s LEU 58 N -0.07 2.12 0.18 0.00 1.43 0.36 -1.83 118.68 120.86 3l5r s LEU 58 Ca -0.02 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3l5r s LEU 58 Cb -0.02 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 3l5r s LEU 58 CO 0.00 0.04 -0.09 0.00 0.23 0.00 0.00 176.35 176.53 3l5r s SER 60 N -3.24 0.35 -0.15 0.00 1.04 -0.82 -0.72 113.70 110.17 3l5r s SER 60 Ca 0.20 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 3l5r s SER 60 Cb 0.02 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.23 3l5r s SER 60 CO 0.04 -0.20 -0.09 -0.22 0.98 0.00 0.00 173.24 173.75 3l5r s LEU 61 N -1.12 1.56 -0.14 2.42 2.96 -0.00 -1.48 118.68 122.87 3l5r s LEU 61 Ca -0.10 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3l5r s LEU 61 Cb -0.08 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3l5r s LEU 61 CO -0.00 -0.12 0.02 -1.00 -1.32 0.00 0.00 176.35 173.93 3l5r s HIS 62 N 1.59 3.19 -0.04 5.38 3.76 -0.17 -1.15 115.29 127.86 3l5r s HIS 62 Ca 0.03 0.05 -0.13 0.00 -0.15 0.00 0.00 55.06 54.86 3l5r s HIS 62 Cb -0.14 -1.95 0.02 0.00 1.11 0.00 0.00 32.58 31.63 3l5r s HIS 62 CO -0.09 0.24 0.29 0.45 -0.85 0.00 0.00 174.74 174.79 3l5r s SER 63 N -0.11 -0.20 -0.66 1.40 0.15 -0.71 -1.17 113.70 112.39 3l5r s SER 63 Ca 0.05 0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.64 3l5r s SER 63 Cb -0.12 0.38 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 3l5r s SER 63 CO 0.02 -0.36 1.04 -0.63 1.20 0.00 0.00 173.24 174.51 3l5r s ILE 64 N -1.00 4.18 0.07 6.45 1.01 -1.26 -0.46 121.20 130.20 3l5r s ILE 64 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3l5r s ILE 64 Cb -0.05 -4.72 0.00 0.00 0.01 0.00 0.00 42.46 37.71 3l5r s ILE 64 CO 0.03 -1.49 0.00 0.61 0.00 0.00 0.00 174.94 174.09 3l5r n GLY 65 N 5.30 -2.07 2.41 6.18 0.00 -1.26 -4.94 105.19 110.82 3l5r n GLY 65 Ca -0.01 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.56 -1.31 -5.28 1.61 4.76 -1.26 -4.92 118.16 110.20 3l5r n LYS 66 Ca 0.00 0.97 -0.31 0.00 -2.87 0.00 0.00 58.31 56.10 3l5r n LYS 66 Cb 0.14 -5.33 -0.16 0.00 -1.84 0.00 0.00 35.03 27.83 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 -2.77 2.05 0.00 -0.18 -1.09 -1.26 -4.84 121.20 113.11 3l5r s ILE 67 Ca 0.00 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 3l5r s ILE 67 Cb 0.00 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 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 2.77 -0.99 0.14 6.18 0.00 -1.26 -4.99 105.19 107.05 3l5r n GLY 68 Ca -0.17 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.49 0.97 -0.02 0.00 -1.99 0.17 103.07 100.72 3l5r h GLY 69 Ca 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 47.33 47.94 3l5r h GLY 69 CO 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 176.54 175.86 3l5r h ALA 70 N -1.03 0.49 -0.78 3.60 0.00 -2.00 -2.49 119.26 117.06 3l5r h ALA 70 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3l5r h ALA 70 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3l5r h ALA 70 CO -0.15 0.43 0.37 1.96 0.00 0.00 0.00 179.25 181.86 3l5r h GLN 71 N 0.52 1.12 -0.36 0.00 4.20 -1.91 -1.13 115.11 117.56 3l5r h GLN 71 Ca 0.08 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 3l5r h GLN 71 Cb 0.73 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3l5r h GLN 71 CO 0.05 0.88 -0.13 -0.91 -0.67 0.00 0.00 178.83 178.05 3l5r h ASN 72 N 1.10 0.62 -0.62 1.46 2.35 -0.59 0.16 115.58 120.07 3l5r h ASN 72 Ca 0.27 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3l5r h ASN 72 Cb 0.12 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3l5r h ASN 72 CO -0.03 0.78 0.34 0.03 -1.65 0.00 0.00 177.43 176.89 3l5r h ARG 73 N 0.58 0.86 -0.37 0.81 3.08 -0.96 -0.61 114.38 117.76 3l5r h ARG 73 Ca 0.10 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3l5r h ARG 73 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3l5r h ARG 73 CO 0.04 0.65 0.10 1.03 -1.07 0.00 0.00 179.97 180.72 3l5r h SER 74 N 0.84 0.56 -0.76 7.04 0.87 -0.63 -2.40 113.55 119.07 3l5r h SER 74 Ca 0.22 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 3l5r h SER 74 Cb 0.05 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.81 3l5r h SER 74 CO -0.03 0.63 0.47 1.88 -0.53 0.00 0.00 176.83 179.24 3l5r h TYR 75 N 0.46 0.87 -0.67 2.24 0.05 -0.49 -1.89 116.97 117.53 3l5r h TYR 75 Ca 0.12 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 3l5r h TYR 75 Cb 0.28 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 3l5r h TYR 75 CO 0.01 0.47 0.11 0.77 -1.05 0.00 0.00 178.16 178.47 3l5r h SER 76 N 0.89 1.06 -0.60 3.88 0.02 -0.91 0.28 113.55 118.17 3l5r h SER 76 Ca 0.32 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3l5r h SER 76 Cb 0.09 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3l5r h SER 76 CO -0.14 1.05 0.18 0.50 -1.14 0.00 0.00 176.83 177.28 3l5r h LYS 77 N 1.03 0.93 0.17 3.45 3.64 -1.18 -0.34 116.57 124.28 3l5r h LYS 77 Ca 0.20 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3l5r h LYS 77 Cb 0.44 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3l5r h LYS 77 CO 0.01 0.83 -0.08 1.25 -2.27 0.00 0.00 179.45 179.20 3l5r h LEU 78 N 0.85 -0.19 -0.31 5.20 5.85 -0.86 -2.01 115.31 123.84 3l5r h LEU 78 Ca 0.19 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 3l5r h LEU 78 Cb 0.29 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3l5r h LEU 78 CO -0.01 0.08 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.73 3l5r h LEU 79 N -0.47 0.86 -0.83 2.25 3.38 -0.40 -1.66 115.31 118.44 3l5r h LEU 79 Ca -0.02 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3l5r h LEU 79 Cb 0.36 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3l5r h LEU 79 CO 0.04 1.18 0.47 0.00 0.09 0.00 0.00 178.44 180.22 3l5r h GLY 81 N 1.14 1.13 1.00 0.00 0.00 -1.08 0.65 103.07 105.92 3l5r h GLY 81 Ca 0.29 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 3l5r h GLY 81 CO -0.05 0.34 -0.03 1.41 0.00 0.00 0.00 176.54 178.21 3l5r h LEU 82 N 0.99 0.84 -0.54 3.11 3.38 -0.85 -0.40 115.31 121.84 3l5r h LEU 82 Ca 0.31 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3l5r h LEU 82 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3l5r h LEU 82 CO -0.10 0.96 -0.34 -0.07 0.09 0.00 0.00 178.44 178.97 3l5r h LEU 83 N 0.70 0.86 -0.14 1.67 3.38 -0.81 0.20 115.31 121.17 3l5r h LEU 83 Ca 0.13 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3l5r h LEU 83 Cb 0.55 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3l5r h LEU 83 CO 0.03 1.11 -0.00 0.00 0.09 0.00 0.00 178.44 179.67 3l5r h ALA 84 N 0.93 0.19 -0.17 1.53 0.00 -0.80 0.36 119.26 121.30 3l5r h ALA 84 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3l5r h ALA 84 Cb 0.90 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3l5r h ALA 84 CO 0.08 -0.11 0.01 1.49 0.00 0.00 0.00 179.25 180.72 3l5r h GLU 85 N -0.02 0.29 0.08 0.00 4.81 -1.01 -2.05 114.58 116.67 3l5r h GLU 85 Ca 0.04 -0.09 -0.34 0.00 -0.13 0.00 0.00 59.36 58.84 3l5r h GLU 85 Cb 0.38 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3l5r h GLU 85 CO 0.01 0.50 -1.90 0.54 -0.73 0.00 0.00 179.01 177.42 3l5r n ARG 86 N -4.74 0.71 0.00 1.92 5.12 0.05 -4.35 116.66 115.36 3l5r n ARG 86 Ca -0.05 0.27 0.05 0.00 -1.93 0.00 0.00 57.85 56.19 3l5r n ARG 86 Cb 0.21 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 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 -3.31 1.31 -3.27 0.55 4.77 0.04 -4.68 117.00 112.41 3l5r n LEU 87 Ca -0.26 -0.79 -0.20 0.00 -0.03 0.00 0.00 56.01 54.72 3l5r n LEU 87 Cb 1.05 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 3l5r n LEU 87 CO 0.44 0.26 0.19 0.54 -1.33 0.00 0.00 177.39 177.49 3l5r n ARG 88 N -0.15 -6.90 -4.05 3.23 1.74 -0.72 -4.96 116.66 104.84 3l5r n ARG 88 Ca 0.05 0.75 -0.35 0.00 -0.77 0.00 0.00 57.85 57.53 3l5r n ARG 88 Cb 0.22 -5.55 -0.12 0.00 -1.02 0.00 0.00 32.46 25.99 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 -3.30 4.23 0.26 0.55 1.01 -1.06 -4.92 121.20 117.96 3l5r s ILE 89 Ca 0.40 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 3l5r s ILE 89 Cb -0.17 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 3l5r s ILE 89 CO 0.66 0.43 1.46 -0.55 0.00 0.00 0.00 174.94 176.93 3l5r s SER 90 N 0.87 6.61 0.50 3.58 0.15 -1.26 -3.28 113.70 120.87 3l5r s SER 90 Ca 0.02 2.71 0.20 0.00 0.70 0.00 0.00 55.95 59.58 3l5r s SER 90 Cb -0.14 -2.63 1.26 0.00 -1.71 0.00 0.00 66.02 62.80 3l5r s SER 90 CO 0.02 -0.73 2.02 -0.65 1.20 0.00 0.00 173.24 175.10 3l5r h PRO 91 N 4.93 0.12 -0.08 5.44 0.11 -1.97 -0.47 132.00 140.08 3l5r h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3l5r h PRO 91 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3l5r h PRO 91 CO 0.77 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3l5r n ASP 92 N -4.44 0.65 -1.08 -2.05 5.75 -1.26 -2.58 116.55 111.54 3l5r n ASP 92 Ca 0.07 -1.63 -0.04 0.00 -0.01 0.00 0.00 54.79 53.18 3l5r n ASP 92 Cb 0.44 -0.05 0.17 0.00 -1.03 0.00 0.00 41.12 40.65 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 -0.31 2.03 -4.88 0.11 1.74 -0.19 -4.99 116.66 110.16 3l5r n ARG 93 Ca 0.12 -3.41 -0.27 0.00 -0.77 0.00 0.00 57.85 53.52 3l5r n ARG 93 Cb 0.15 -1.81 -0.16 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 -3.51 1.54 -0.02 1.55 1.01 -1.07 -1.84 120.40 118.06 3l5r s VAL 94 Ca 0.43 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.72 3l5r s VAL 94 Cb 0.39 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3l5r s VAL 94 CO -0.03 0.44 -0.18 -0.31 0.00 0.00 0.00 175.10 175.02 3l5r s TYR 95 N 0.28 2.57 -0.14 5.22 2.02 -0.76 -5.00 117.35 121.54 3l5r s TYR 95 Ca -0.11 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3l5r s TYR 95 Cb -0.14 -1.56 0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3l5r s TYR 95 CO 0.04 0.14 -0.03 0.42 -1.57 0.00 0.00 175.55 174.55 3l5r s ILE 96 N -0.74 0.85 -0.17 2.71 1.01 -1.26 -0.45 121.20 123.15 3l5r s ILE 96 Ca 0.12 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 3l5r s ILE 96 Cb -0.10 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3l5r s ILE 96 CO 0.01 0.15 0.60 0.20 0.00 0.00 0.00 174.94 175.90 3l5r s ASN 97 N 1.75 6.71 -0.14 3.58 0.01 0.10 -4.95 114.94 122.00 3l5r s ASN 97 Ca 0.02 0.86 -0.07 0.00 -0.71 0.00 0.00 52.86 52.96 3l5r s ASN 97 Cb -0.14 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3l5r s ASN 97 CO -0.07 -0.20 0.09 -0.31 -1.51 0.00 0.00 177.10 175.09 3l5r s TYR 98 N 1.54 3.38 -0.11 2.20 2.02 -1.26 -0.82 117.35 124.30 3l5r s TYR 98 Ca 0.29 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 3l5r s TYR 98 Cb -0.16 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 3l5r s TYR 98 CO 0.11 0.45 -0.10 0.71 -1.57 0.00 0.00 175.55 175.15 3l5r s TYR 99 N -0.39 1.65 -0.55 2.71 2.02 -0.30 -4.97 117.35 117.52 3l5r s TYR 99 Ca 0.10 -0.83 -0.21 0.00 -0.37 0.00 0.00 57.07 55.77 3l5r s TYR 99 Cb -0.12 -1.30 0.06 0.00 -0.40 0.00 0.00 41.96 40.20 3l5r s TYR 99 CO 0.02 -0.52 0.78 0.34 -1.57 0.00 0.00 175.55 174.59 3l5r s ASP 100 N 1.50 6.25 0.14 2.29 -1.08 -1.26 -1.74 116.67 122.77 3l5r s ASP 100 Ca 0.02 -0.79 -0.23 0.00 -0.52 0.00 0.00 52.55 51.03 3l5r s ASP 100 Cb -0.13 -2.35 -0.08 0.00 -1.46 0.00 0.00 42.92 38.90 3l5r s ASP 100 CO -0.07 -1.09 0.71 -0.04 0.52 0.00 0.00 175.17 175.20 3l5r s MET 101 N 3.23 4.42 0.32 4.34 -1.94 0.39 -4.90 119.30 125.16 3l5r s MET 101 Ca 0.21 1.00 -0.27 0.00 -1.71 0.00 0.00 55.69 54.91 3l5r s MET 101 Cb -0.17 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.36 3l5r s MET 101 CO 0.14 0.57 1.01 1.21 -0.01 0.00 0.00 175.02 177.94 3l5r s ASN 102 N -1.19 7.23 0.38 3.03 2.47 -1.26 -4.03 114.94 121.57 3l5r s ASN 102 Ca 0.34 2.02 0.10 0.00 0.42 0.00 0.00 52.86 55.74 3l5r s ASN 102 Cb -0.21 -2.60 0.87 0.00 -1.45 0.00 0.00 41.25 37.86 3l5r s ASN 102 CO 0.24 -0.15 1.93 0.00 -3.72 0.00 0.00 177.10 175.39 3l5r h ALA 103 N 3.35 1.87 0.00 1.71 0.00 -1.95 0.01 119.26 124.25 3l5r h ALA 103 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3l5r h ALA 103 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3l5r h ALA 103 CO 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3l5r h ALA 104 N 1.62 1.00 -0.45 0.00 0.00 -1.92 -2.79 119.26 116.72 3l5r h ALA 104 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3l5r h ALA 104 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3l5r h ALA 104 CO -0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.21 3l5r n ASN 105 N -2.32 4.59 -3.99 0.00 5.03 -0.01 -4.84 115.26 113.71 3l5r n ASN 105 Ca 0.02 -2.78 -0.30 0.00 0.87 0.00 0.00 54.58 52.39 3l5r n ASN 105 Cb 0.24 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.27 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 -2.44 1.58 0.24 2.41 1.01 -1.07 -4.89 120.40 117.24 3l5r s VAL 106 Ca 0.46 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 3l5r s VAL 106 Cb 0.34 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 3l5r s VAL 106 CO 0.15 0.25 0.71 -0.83 0.00 0.00 0.00 175.10 175.38 3l5r s GLY 107 N 1.44 2.53 -0.28 4.51 0.00 -1.26 -2.33 107.32 111.93 3l5r s GLY 107 Ca 0.01 0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.60 3l5r s GLY 107 CO -0.09 0.42 0.94 0.86 0.00 0.00 0.00 173.10 175.23 3l5r s TRP 108 N -1.64 -0.58 -1.26 1.90 -0.00 0.12 -4.94 118.94 112.54 3l5r s TRP 108 Ca 0.46 1.37 -0.02 0.00 -0.00 0.00 0.00 56.10 57.91 3l5r s TRP 108 Cb -0.15 0.36 -0.01 0.00 -0.00 0.00 0.00 33.47 33.67 3l5r s TRP 108 CO 0.20 -0.28 0.77 -1.71 -0.00 0.00 0.00 176.95 175.93 3l5r n ASN 109 N 2.57 -1.94 0.00 5.86 4.05 -1.26 -1.48 115.26 123.06 3l5r n ASN 109 Ca -0.14 -0.79 0.00 0.00 0.45 0.00 0.00 54.58 54.10 3l5r n ASN 109 Cb 0.56 -4.29 0.00 0.00 1.23 0.00 0.00 39.78 37.28 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 -3.06 -1.37 0.00 1.20 3.02 -1.26 -4.89 115.26 108.90 3l5r n ASN 110 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 3l5r n ASN 110 Cb 0.67 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 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 -0.16 0.00 -3.17 6.41 2.88 -0.55 -5.19 113.62 113.84 3l5r n SER 111 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3l5r n SER 111 Cb 0.08 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.30 2.46 -2.24 -1.26 0.15 114.28 114.69 3l5r n THR 112 Ca 0.00 -1.30 0.07 0.00 -2.27 0.00 0.00 64.05 60.55 3l5r n THR 112 Cb 0.00 0.35 0.28 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.61 0.25 -3.18 4.78 3.72 -0.98 -4.50 117.46 116.94 3l5r n PHE 113 Ca -0.08 -0.12 -0.46 0.00 -0.05 0.00 0.00 57.45 56.74 3l5r n PHE 113 Cb 0.34 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.75 3.80 -1.27 4.37 0.00 -1.20 -4.74 121.76 120.97 3l5r s ALA 114 Ca 0.25 -3.05 0.11 0.00 0.00 0.00 0.00 51.96 49.27 3l5r s ALA 114 Cb 0.13 -3.69 0.17 0.00 0.00 0.00 0.00 23.12 19.73 3l5r s ALA 114 CO 0.19 -2.51 1.00 1.28 0.00 0.00 0.00 175.76 175.72 3l5r n LEU 115 N 5.00 2.29 0.03 0.00 4.77 -1.26 -4.64 117.00 123.19 3l5r n LEU 115 Ca 0.15 -1.34 0.09 0.00 -0.03 0.00 0.00 56.01 54.88 3l5r n LEU 115 Cb 0.47 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3l5r n LEU 115 CO 0.41 0.50 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.87 3l5r n GLU 116 N 0.61 0.64 -3.99 3.23 4.71 -1.26 -4.98 120.64 119.60 3l5r n GLU 116 Ca 0.08 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.16 57.10 3l5r n GLU 116 Cb 0.34 -1.65 -0.10 0.00 -1.01 0.00 0.00 31.44 29.01 3l5r n GLU 116 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3l5r s HIS 117 N -3.36 0.29 0.00 -0.32 3.76 -1.26 -5.33 115.29 109.07 3l5r s HIS 117 Ca -0.05 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 3l5r s HIS 117 Cb 0.12 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.59 3l5r s HIS 117 CO 0.86 -0.26 0.16 0.72 -0.85 0.00 0.00 174.74 175.37