#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9s s MET 2 N 0.00 3.33 -0.13 0.54 1.75 0.04 -2.28 119.30 122.55 3b9s s MET 2 Ca 0.00 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 3b9s s MET 2 Cb 0.00 -2.86 0.01 0.00 2.84 0.00 0.00 34.83 34.82 3b9s s MET 2 CO 0.00 -0.10 -0.18 0.12 -0.65 0.00 0.00 175.02 174.20 3b9s s PHE 3 N 1.19 2.33 -0.08 4.11 5.36 0.12 -1.10 117.98 129.91 3b9s s PHE 3 Ca 0.02 -1.15 0.03 0.00 -0.96 0.00 0.00 56.93 54.87 3b9s s PHE 3 Cb -0.14 -1.63 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 3b9s s PHE 3 CO -0.03 -0.56 -0.17 0.42 -1.46 0.00 0.00 175.22 173.42 3b9s s ILE 4 N 0.93 1.53 -0.13 3.12 1.01 -0.52 -1.31 121.20 125.83 3b9s s ILE 4 Ca -0.06 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3b9s s ILE 4 Cb -0.15 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.99 3b9s s ILE 4 CO -0.02 0.44 -0.14 0.54 0.00 0.00 0.00 174.94 175.76 3b9s s VAL 5 N 0.50 1.51 -0.17 2.92 0.11 -0.10 -0.94 120.40 124.23 3b9s s VAL 5 Ca -0.16 -0.61 -0.05 0.00 -2.93 0.00 0.00 61.98 58.23 3b9s s VAL 5 Cb -0.16 -1.40 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 3b9s s VAL 5 CO 0.06 0.45 -0.01 0.20 -3.33 0.00 0.00 175.10 172.46 3b9s s ASN 6 N 1.30 5.00 -0.01 3.54 -0.87 0.64 0.23 114.94 124.78 3b9s s ASN 6 Ca 0.00 -0.08 -0.10 0.00 -1.57 0.00 0.00 52.86 51.11 3b9s s ASN 6 Cb -0.14 -1.83 0.01 0.00 -0.02 0.00 0.00 41.25 39.27 3b9s s ASN 6 CO -0.07 0.16 0.20 0.28 -2.57 0.00 0.00 177.10 175.10 3b9s s THR 7 N 0.41 0.07 -1.58 1.60 -1.32 -0.22 -0.54 115.64 114.06 3b9s s THR 7 Ca -0.02 -0.54 0.30 0.00 -1.21 0.00 0.00 61.69 60.21 3b9s s THR 7 Cb -0.14 -0.48 0.54 0.00 -1.51 0.00 0.00 72.50 70.91 3b9s s THR 7 CO 0.02 -0.30 1.99 -0.46 -2.21 0.00 0.00 174.62 173.67 3b9s n ASN 8 N 1.57 0.20 -4.75 8.08 6.94 -1.23 -1.00 115.26 125.07 3b9s n ASN 8 Ca -0.21 -0.41 -0.41 0.00 -0.02 0.00 0.00 54.58 53.53 3b9s n ASN 8 Cb 0.56 -0.17 -0.02 0.00 -2.36 0.00 0.00 39.78 37.80 3b9s n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3b9s s VAL 9 N -2.47 2.11 0.66 3.53 1.01 -1.26 -4.22 120.40 119.75 3b9s s VAL 9 Ca 0.31 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 3b9s s VAL 9 Cb 0.20 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3b9s s VAL 9 CO 0.46 0.02 1.15 -2.84 0.00 0.00 0.00 175.10 173.89 3b9s s PRO 10 N -0.59 2.68 0.33 2.72 0.02 -1.26 -0.73 135.00 138.16 3b9s s PRO 10 Ca 0.62 1.58 0.01 0.00 0.02 0.00 0.00 61.00 63.23 3b9s s PRO 10 Cb -0.47 -1.92 0.55 0.00 0.02 0.00 0.00 34.50 32.68 3b9s s PRO 10 CO 0.49 -1.37 1.98 -0.09 -0.33 0.00 0.00 177.00 177.67 3b9s h ARG 11 N 0.17 0.91 -0.03 5.54 2.43 -1.93 -0.72 114.38 120.76 3b9s h ARG 11 Ca -0.48 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3b9s h ARG 11 Cb 1.27 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3b9s h ARG 11 CO 0.53 0.63 0.08 0.00 -1.51 0.00 0.00 179.97 179.70 3b9s h ALA 12 N 1.54 1.28 -0.00 2.80 0.00 -2.03 -1.69 119.26 121.15 3b9s h ALA 12 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3b9s h ALA 12 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3b9s h ALA 12 CO -0.05 -0.09 -0.31 0.43 0.00 0.00 0.00 179.25 179.23 3b9s n SER 13 N -3.32 0.56 -4.60 0.00 7.64 -0.28 -4.76 113.62 108.87 3b9s n SER 13 Ca -0.02 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.06 3b9s n SER 13 Cb 0.15 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 3b9s n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b9s s VAL 14 N -2.79 4.63 0.54 0.44 1.01 -0.64 -4.70 120.40 118.90 3b9s s VAL 14 Ca 0.18 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 3b9s s VAL 14 Cb 0.19 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3b9s s VAL 14 CO 0.60 -0.50 1.29 -2.65 0.00 0.00 0.00 175.10 173.83 3b9s n PRO 15 N 6.67 1.57 -0.29 2.72 -0.02 -1.26 -4.92 135.00 139.47 3b9s n PRO 15 Ca 0.06 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 3b9s n PRO 15 Cb 0.48 -2.49 0.13 0.00 -0.02 0.00 0.00 33.50 31.60 3b9s n PRO 15 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3b9s h ASP 16 N 1.32 -0.66 -0.52 2.55 3.32 -1.95 -1.78 116.42 118.70 3b9s h ASP 16 Ca -0.50 0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3b9s h ASP 16 Cb 1.31 0.48 -0.06 0.00 0.22 0.00 0.00 39.33 41.28 3b9s h ASP 16 CO 0.56 -0.26 0.12 0.61 -1.72 0.00 0.00 179.24 178.55 3b9s n GLY 17 N -1.51 2.96 0.29 2.75 0.00 -1.26 -4.61 105.19 103.82 3b9s n GLY 17 Ca 0.13 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 3b9s n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b9s h PHE 18 N 2.55 0.99 -0.64 1.61 3.57 -1.68 -0.76 116.94 122.57 3b9s h PHE 18 Ca 0.12 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3b9s h PHE 18 Cb 1.84 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.24 3b9s h PHE 18 CO 0.95 0.71 0.23 -0.07 -2.23 0.00 0.00 178.31 177.89 3b9s h LEU 19 N 0.98 0.91 -0.55 0.59 3.38 -1.83 -1.06 115.31 117.73 3b9s h LEU 19 Ca 0.25 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3b9s h LEU 19 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3b9s h LEU 19 CO -0.04 0.85 0.04 0.28 0.09 0.00 0.00 178.44 179.66 3b9s h SER 20 N 0.91 0.92 -0.32 -0.43 0.02 -1.84 -1.16 113.55 111.66 3b9s h SER 20 Ca 0.21 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3b9s h SER 20 Cb 0.25 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3b9s h SER 20 CO -0.01 0.98 0.13 -0.08 -1.14 0.00 0.00 176.83 176.71 3b9s h GLU 21 N 0.83 0.47 -0.40 3.45 4.81 -0.94 -0.41 114.58 122.39 3b9s h GLU 21 Ca 0.16 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3b9s h GLU 21 Cb 0.49 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 3b9s h GLU 21 CO 0.02 0.47 0.11 -0.07 -0.73 0.00 0.00 179.01 178.82 3b9s h LEU 22 N 0.37 0.09 -0.07 1.64 3.38 -1.05 0.01 115.31 119.67 3b9s h LEU 22 Ca 0.11 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3b9s h LEU 22 Cb 0.18 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3b9s h LEU 22 CO -0.01 0.08 -0.12 0.74 0.09 0.00 0.00 178.44 179.23 3b9s h THR 23 N 0.26 0.69 -0.08 0.22 2.02 -0.97 -0.20 112.91 114.84 3b9s h THR 23 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3b9s h THR 23 Cb 0.20 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3b9s h THR 23 CO -0.22 0.00 0.05 -0.61 0.37 0.00 0.00 175.52 175.11 3b9s h GLN 24 N -0.16 0.12 -0.84 6.66 -0.00 -0.82 -1.38 115.11 118.68 3b9s h GLN 24 Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 3b9s h GLN 24 Cb 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.67 3b9s h GLN 24 CO -0.17 0.15 0.48 1.96 0.00 0.00 0.00 178.83 181.25 3b9s h GLN 25 N 0.05 1.16 -0.27 1.69 1.08 -0.84 -0.70 115.11 117.28 3b9s h GLN 25 Ca 0.03 -0.12 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 3b9s h GLN 25 Cb 0.07 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3b9s h GLN 25 CO -0.00 0.84 -0.45 -0.07 -0.95 0.00 0.00 178.83 178.19 3b9s h LEU 26 N 1.17 0.74 -0.01 1.46 3.38 -0.86 -0.40 115.31 120.79 3b9s h LEU 26 Ca 0.30 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3b9s h LEU 26 Cb -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3b9s h LEU 26 CO -0.05 1.08 0.01 0.00 0.09 0.00 0.00 178.44 179.57 3b9s h ALA 27 N 0.94 0.02 -0.38 1.53 0.00 -0.84 0.29 119.26 120.82 3b9s h ALA 27 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3b9s h ALA 27 Cb 1.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3b9s h ALA 27 CO 0.09 -0.41 0.02 0.37 0.00 0.00 0.00 179.25 179.32 3b9s h GLN 28 N -0.12 0.58 0.18 0.00 4.15 -1.12 -1.26 115.11 117.52 3b9s h GLN 28 Ca 0.00 -0.12 -0.29 0.00 0.77 0.00 0.00 58.65 59.01 3b9s h GLN 28 Cb 0.14 -0.09 0.03 0.00 0.21 0.00 0.00 27.48 27.78 3b9s h GLN 28 CO -0.00 0.59 -1.25 0.00 -1.93 0.00 0.00 178.83 176.24 3b9s h ALA 29 N 1.47 -0.09 -0.03 3.38 0.00 -0.99 -3.32 119.26 119.69 3b9s h ALA 29 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3b9s h ALA 29 Cb 0.32 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3b9s h ALA 29 CO 0.01 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.13 3b9s n THR 30 N -3.84 0.01 -3.53 0.00 -2.24 0.08 -4.93 114.28 99.83 3b9s n THR 30 Ca -0.15 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.08 3b9s n THR 30 Cb 1.00 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3b9s n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b9s n GLY 31 N 1.20 -0.49 3.42 3.38 0.00 -0.52 -4.98 105.19 107.20 3b9s n GLY 31 Ca 0.18 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 3b9s n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b9s s LYS 32 N -6.21 1.73 0.29 1.61 1.02 -0.93 -5.05 119.74 112.21 3b9s s LYS 32 Ca 0.48 -1.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 3b9s s LYS 32 Cb -0.25 -2.04 -0.10 0.00 -0.52 0.00 0.00 37.83 34.92 3b9s s LYS 32 CO 0.60 0.49 1.32 -1.25 -0.92 0.00 0.00 175.35 175.58 3b9s s PRO 33 N -1.77 4.36 0.44 -1.68 0.04 -1.26 -4.54 135.00 130.59 3b9s s PRO 33 Ca 0.15 2.18 0.30 0.00 0.04 0.00 0.00 61.00 63.67 3b9s s PRO 33 Cb -0.10 -3.10 1.36 0.00 0.04 0.00 0.00 34.50 32.69 3b9s s PRO 33 CO 0.06 -0.21 1.91 -1.00 0.04 0.00 0.00 177.00 177.79 3b9s h PRO 34 N 3.99 0.00 0.00 0.56 0.13 -1.93 -2.82 132.00 131.93 3b9s h PRO 34 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3b9s h PRO 34 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3b9s h PRO 34 CO 0.69 0.00 -0.01 1.96 -0.23 0.00 0.00 178.00 180.42 3b9s h GLN 35 N 0.00 0.00 -0.00 0.86 7.50 -1.99 -1.99 115.11 119.49 3b9s h GLN 35 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3b9s h GLN 35 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.86 3b9s h GLN 35 CO 0.00 0.01 -0.94 0.66 -1.50 0.00 0.00 178.83 177.06 3b9s n TYR 36 N -3.33 0.00 -2.93 2.96 4.01 -1.06 -4.96 117.16 111.85 3b9s n TYR 36 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 3b9s n TYR 36 Cb 0.09 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3b9s n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3b9s s ILE 37 N -2.97 4.96 -0.05 -0.72 1.01 -0.75 -4.58 121.20 118.11 3b9s s ILE 37 Ca 0.09 1.66 0.05 0.00 0.00 0.00 0.00 60.65 62.45 3b9s s ILE 37 Cb 0.16 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3b9s s ILE 37 CO 0.84 0.23 -0.21 0.00 0.00 0.00 0.00 174.94 175.81 3b9s s ALA 38 N 0.79 2.37 0.00 9.38 0.00 -0.97 -5.03 121.76 128.30 3b9s s ALA 38 Ca 0.42 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3b9s s ALA 38 Cb -0.19 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3b9s s ALA 38 CO 0.22 0.49 -0.09 0.14 0.00 0.00 0.00 175.76 176.52 3b9s s VAL 39 N -0.48 0.74 -0.13 0.00 -7.23 -1.26 -0.70 120.40 111.34 3b9s s VAL 39 Ca 0.06 -0.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 3b9s s VAL 39 Cb -0.12 -0.65 0.06 0.00 0.56 0.00 0.00 36.38 36.24 3b9s s VAL 39 CO 0.01 0.12 0.29 -2.28 -0.31 0.00 0.00 175.10 172.93 3b9s s HIS 40 N -0.40 -0.45 -0.11 2.82 5.04 -0.43 -4.98 115.29 116.78 3b9s s HIS 40 Ca 0.02 1.01 0.02 0.00 -1.54 0.00 0.00 55.06 54.57 3b9s s HIS 40 Cb -0.05 0.07 0.01 0.00 0.04 0.00 0.00 32.58 32.66 3b9s s HIS 40 CO -0.00 -0.32 -0.16 0.08 -2.34 0.00 0.00 174.74 171.99 3b9s s VAL 41 N 1.88 1.58 -0.44 0.89 1.01 -1.26 -0.92 120.40 123.14 3b9s s VAL 41 Ca -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3b9s s VAL 41 Cb -0.11 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.97 3b9s s VAL 41 CO -0.10 0.46 0.18 -0.69 0.00 0.00 0.00 175.10 174.95 3b9s s VAL 42 N 0.89 2.22 0.95 2.92 1.01 0.14 -4.98 120.40 123.55 3b9s s VAL 42 Ca -0.08 -2.79 -0.15 0.00 0.00 0.00 0.00 61.98 58.95 3b9s s VAL 42 Cb -0.15 -2.58 0.20 0.00 0.00 0.00 0.00 36.38 33.85 3b9s s VAL 42 CO -0.00 -0.74 1.31 -2.16 0.00 0.00 0.00 175.10 173.50 3b9s s PRO 43 N 0.29 0.66 -1.75 2.72 0.04 -1.26 -1.06 135.00 134.63 3b9s s PRO 43 Ca 0.15 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.73 3b9s s PRO 43 Cb -0.23 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3b9s s PRO 43 CO -0.04 -2.39 0.00 -0.25 0.04 0.00 0.00 177.00 174.36 3b9s n ASP 44 N -3.73 -5.05 -4.79 6.66 9.92 0.09 -4.82 116.55 114.84 3b9s n ASP 44 Ca 0.15 0.35 -0.36 0.00 -0.53 0.00 0.00 54.79 54.40 3b9s n ASP 44 Cb 0.59 -4.06 -0.06 0.00 -0.64 0.00 0.00 41.12 36.95 3b9s n ASP 44 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3b9s s GLN 45 N -3.67 4.44 -0.70 -1.24 -1.52 -0.17 -4.93 119.66 111.87 3b9s s GLN 45 Ca 0.00 1.35 -0.25 0.00 -1.95 0.00 0.00 55.36 54.51 3b9s s GLN 45 Cb 0.00 -2.65 0.05 0.00 -0.22 0.00 0.00 33.01 30.19 3b9s s GLN 45 CO 0.00 0.14 1.13 -1.17 -0.25 0.00 0.00 175.29 175.13 3b9s s LEU 46 N -2.35 3.77 0.14 2.90 2.96 -1.26 -4.01 118.68 120.83 3b9s s LEU 46 Ca 0.54 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 3b9s s LEU 46 Cb -0.18 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 3b9s s LEU 46 CO 0.23 -1.64 0.24 0.00 -1.32 0.00 0.00 176.35 173.86 3b9s s MET 47 N 4.91 1.06 0.02 1.98 0.23 -1.26 -5.07 119.30 121.17 3b9s s MET 47 Ca 0.29 -1.15 -0.07 0.00 -1.03 0.00 0.00 55.69 53.73 3b9s s MET 47 Cb -0.12 0.36 -0.00 0.00 -1.53 0.00 0.00 34.83 33.53 3b9s s MET 47 CO 0.12 -0.37 0.13 0.00 -2.03 0.00 0.00 175.02 172.87 3b9s s ALA 48 N -3.95 -0.24 -0.05 3.16 0.00 -1.26 -4.62 121.76 114.79 3b9s s ALA 48 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3b9s s ALA 48 Cb 0.04 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3b9s s ALA 48 CO -0.02 -0.26 0.01 0.12 0.00 0.00 0.00 175.76 175.61 3b9s s PHE 49 N -1.87 0.45 -1.52 0.00 5.36 -0.35 -4.71 117.98 115.33 3b9s s PHE 49 Ca -0.11 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 3b9s s PHE 49 Cb -0.05 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.99 3b9s s PHE 49 CO -0.01 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 3b9s n GLY 50 N 4.93 -0.50 2.68 13.12 0.00 -1.26 -1.45 105.19 122.72 3b9s n GLY 50 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3b9s n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9s n GLY 51 N -0.94 1.54 3.84 -0.02 0.00 -1.26 -5.02 105.19 103.32 3b9s n GLY 51 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3b9s n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b9s s SER 52 N -3.27 6.13 -0.13 1.61 0.15 -0.53 -5.01 113.70 112.66 3b9s s SER 52 Ca 0.00 0.39 0.13 0.00 0.70 0.00 0.00 55.95 57.17 3b9s s SER 52 Cb 0.00 -1.93 0.60 0.00 -1.71 0.00 0.00 66.02 62.97 3b9s s SER 52 CO 0.00 0.39 1.45 -1.54 1.20 0.00 0.00 173.24 174.75 3b9s n SER 53 N 1.95 4.18 -4.63 5.45 3.41 -1.26 -1.21 113.62 121.50 3b9s n SER 53 Ca -0.19 -2.49 -0.31 0.00 -0.26 0.00 0.00 58.87 55.61 3b9s n SER 53 Cb 0.55 -0.56 0.17 0.00 -0.26 0.00 0.00 64.21 64.11 3b9s n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b9s n GLU 54 N 0.71 -0.64 -1.67 4.33 -0.58 -1.26 -4.87 120.64 116.66 3b9s n GLU 54 Ca 0.21 -0.12 -0.45 0.00 -0.42 0.00 0.00 57.16 56.38 3b9s n GLU 54 Cb 0.83 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.36 3b9s n GLU 54 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3b9s n PRO 55 N -4.10 2.00 -3.93 3.49 -0.02 -1.26 -4.86 135.00 126.31 3b9s n PRO 55 Ca 0.11 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 3b9s n PRO 55 Cb 0.52 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3b9s n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b9s s ALA 57 N -3.97 -0.51 -0.16 0.00 0.00 -0.38 -3.52 121.76 113.21 3b9s s ALA 57 Ca 0.18 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3b9s s ALA 57 Cb 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3b9s s ALA 57 CO 0.03 -0.10 -0.17 -0.51 0.00 0.00 0.00 175.76 175.01 3b9s s LEU 58 N 0.04 2.32 0.16 0.00 1.43 0.30 -1.59 118.68 121.35 3b9s s LEU 58 Ca -0.01 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3b9s s LEU 58 Cb -0.02 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3b9s s LEU 58 CO 0.00 0.05 -0.06 0.00 0.23 0.00 0.00 176.35 176.58 3b9s s SER 60 N -3.18 0.63 -0.17 0.00 1.04 -0.12 -1.26 113.70 110.65 3b9s s SER 60 Ca 0.20 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3b9s s SER 60 Cb 0.04 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.26 3b9s s SER 60 CO 0.02 -0.24 -0.10 -0.22 0.98 0.00 0.00 173.24 173.68 3b9s s LEU 61 N -1.56 1.89 -0.14 2.42 2.96 0.15 -1.44 118.68 122.97 3b9s s LEU 61 Ca -0.12 -0.69 -0.05 0.00 -0.22 0.00 0.00 54.13 53.06 3b9s s LEU 61 Cb -0.10 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3b9s s LEU 61 CO -0.00 -0.13 0.02 -1.00 -1.32 0.00 0.00 176.35 173.92 3b9s s HIS 62 N 1.49 3.19 0.09 5.38 3.76 -0.26 -1.17 115.29 127.77 3b9s s HIS 62 Ca 0.01 0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.01 3b9s s HIS 62 Cb -0.15 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 3b9s s HIS 62 CO -0.09 0.25 -0.11 -1.12 -0.85 0.00 0.00 174.74 172.82 3b9s s SER 63 N -0.13 1.47 -0.53 1.40 0.01 -0.48 -0.78 113.70 114.65 3b9s s SER 63 Ca 0.05 -0.75 -0.21 0.00 1.31 0.00 0.00 55.95 56.35 3b9s s SER 63 Cb -0.12 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.16 3b9s s SER 63 CO 0.02 -0.22 0.75 -0.63 0.41 0.00 0.00 173.24 173.57 3b9s s ILE 64 N -2.12 4.69 0.00 1.44 1.01 -1.26 -0.17 121.20 124.79 3b9s s ILE 64 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3b9s s ILE 64 Cb -0.05 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 38.02 3b9s s ILE 64 CO 0.01 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.61 3b9s n GLY 65 N 5.16 3.18 3.74 6.18 0.00 -1.22 -4.95 105.19 117.28 3b9s n GLY 65 Ca -0.04 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 3b9s n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b9s s LYS 66 N -4.09 2.68 -0.22 1.61 1.02 -1.26 -4.73 119.74 114.75 3b9s s LYS 66 Ca 0.00 2.12 -0.01 0.00 0.02 0.00 0.00 55.97 58.10 3b9s s LYS 66 Cb 0.00 -1.94 0.06 0.00 -0.52 0.00 0.00 37.83 35.43 3b9s s LYS 66 CO 0.00 -1.51 -0.01 0.96 -0.92 0.00 0.00 175.35 173.86 3b9s s ILE 67 N -1.36 1.09 0.78 2.17 -5.25 -1.26 -5.09 121.20 112.28 3b9s s ILE 67 Ca 0.80 -0.93 -0.13 0.00 -0.99 0.00 0.00 60.65 59.40 3b9s s ILE 67 Cb -0.39 -1.46 0.19 0.00 2.95 0.00 0.00 42.46 43.76 3b9s s ILE 67 CO 0.42 -0.15 0.75 0.61 -1.79 0.00 0.00 174.94 174.78 3b9s n GLY 68 N 4.84 -2.46 0.37 6.27 0.00 -1.26 -4.60 105.19 108.34 3b9s n GLY 68 Ca -0.11 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.47 3b9s n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b9s h GLY 69 N -1.83 1.54 0.73 -0.02 0.00 -2.00 -0.07 103.07 101.40 3b9s h GLY 69 Ca -0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3b9s h GLY 69 CO 0.18 0.18 -0.07 0.00 0.00 0.00 0.00 176.54 176.83 3b9s h ALA 70 N 1.54 -0.19 -0.34 3.60 0.00 -1.99 -0.12 119.26 121.76 3b9s h ALA 70 Ca 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3b9s h ALA 70 Cb 0.47 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3b9s h ALA 70 CO -0.24 -0.47 0.16 1.96 0.00 0.00 0.00 179.25 180.66 3b9s h GLN 71 N -0.47 0.49 -0.71 0.00 4.20 -1.88 -1.67 115.11 115.08 3b9s h GLN 71 Ca -0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3b9s h GLN 71 Cb 0.37 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3b9s h GLN 71 CO 0.03 0.46 0.40 -0.91 -0.67 0.00 0.00 178.83 178.15 3b9s h ASN 72 N 0.41 0.87 -0.72 1.46 -0.26 -1.00 0.33 115.58 116.67 3b9s h ASN 72 Ca 0.12 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.72 3b9s h ASN 72 Cb 0.14 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 3b9s h ASN 72 CO -0.01 0.71 0.25 0.03 -1.06 0.00 0.00 177.43 177.35 3b9s h ARG 73 N 0.97 1.09 -0.36 0.81 3.08 -0.96 -0.58 114.38 118.44 3b9s h ARG 73 Ca 0.25 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3b9s h ARG 73 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3b9s h ARG 73 CO -0.04 0.92 -0.03 1.03 -1.07 0.00 0.00 179.97 180.78 3b9s h SER 74 N 1.04 0.65 -0.56 7.04 0.87 -0.68 -1.53 113.55 120.38 3b9s h SER 74 Ca 0.23 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3b9s h SER 74 Cb 0.26 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3b9s h SER 74 CO -0.01 0.82 0.37 1.88 -0.53 0.00 0.00 176.83 179.36 3b9s h TYR 75 N 0.45 0.70 -0.55 2.24 0.99 -0.23 -2.32 116.97 118.25 3b9s h TYR 75 Ca 0.10 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.86 3b9s h TYR 75 Cb 0.51 -0.24 -0.03 0.00 1.00 0.00 0.00 36.73 37.97 3b9s h TYR 75 CO 0.04 0.45 0.34 0.77 -0.00 0.00 0.00 178.16 179.76 3b9s h SER 76 N 0.75 0.56 -0.02 3.88 0.02 -0.89 0.15 113.55 118.00 3b9s h SER 76 Ca 0.20 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3b9s h SER 76 Cb -0.08 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3b9s h SER 76 CO -0.04 0.40 -0.05 0.50 -1.14 0.00 0.00 176.83 176.50 3b9s h LYS 77 N 0.68 -0.07 -0.01 3.45 3.64 -1.15 0.49 116.57 123.60 3b9s h LYS 77 Ca 0.22 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3b9s h LYS 77 Cb -0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3b9s h LYS 77 CO -0.09 -0.05 -0.19 1.25 -2.27 0.00 0.00 179.45 178.11 3b9s h LEU 78 N -0.07 -0.56 -0.03 5.20 5.85 -1.12 -1.32 115.31 123.27 3b9s h LEU 78 Ca 0.03 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3b9s h LEU 78 Cb 0.11 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3b9s h LEU 78 CO -0.07 -0.25 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.67 3b9s h LEU 79 N -0.30 0.08 -1.24 2.25 3.38 -0.59 -1.23 115.31 117.66 3b9s h LEU 79 Ca 0.06 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.55 3b9s h LEU 79 Cb 0.38 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3b9s h LEU 79 CO -0.18 0.59 0.53 0.00 0.09 0.00 0.00 178.44 179.46 3b9s h GLY 81 N 0.97 -0.18 0.97 0.00 0.00 -1.04 0.13 103.07 103.92 3b9s h GLY 81 Ca 0.32 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 3b9s h GLY 81 CO -0.10 -0.16 0.22 1.41 0.00 0.00 0.00 176.54 177.91 3b9s h LEU 82 N -0.25 0.47 -0.74 3.11 3.38 -0.83 -0.90 115.31 119.55 3b9s h LEU 82 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3b9s h LEU 82 Cb 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3b9s h LEU 82 CO -0.20 0.41 0.43 -0.07 0.09 0.00 0.00 178.44 179.10 3b9s h LEU 83 N 0.50 0.90 0.11 1.67 3.38 -0.90 0.44 115.31 121.40 3b9s h LEU 83 Ca 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3b9s h LEU 83 Cb 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3b9s h LEU 83 CO -0.02 0.71 -0.05 0.00 0.09 0.00 0.00 178.44 179.16 3b9s h ALA 84 N 1.22 -0.15 -0.48 1.53 0.00 -0.61 0.01 119.26 120.79 3b9s h ALA 84 Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3b9s h ALA 84 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3b9s h ALA 84 CO -0.05 -0.49 0.04 1.49 0.00 0.00 0.00 179.25 180.25 3b9s h GLU 85 N -0.35 0.81 0.06 0.00 4.57 -1.03 -1.08 114.58 117.56 3b9s h GLU 85 Ca -0.02 -0.24 -0.36 0.00 -1.18 0.00 0.00 59.36 57.57 3b9s h GLU 85 Cb 0.29 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3b9s h GLU 85 CO 0.03 0.84 -2.08 0.54 -1.18 0.00 0.00 179.01 177.16 3b9s n ARG 86 N -4.39 0.71 0.00 1.92 5.12 0.13 -4.42 116.66 115.72 3b9s n ARG 86 Ca 0.01 0.22 0.07 0.00 -1.93 0.00 0.00 57.85 56.22 3b9s n ARG 86 Cb 0.28 -1.67 0.02 0.00 -1.16 0.00 0.00 32.46 29.93 3b9s n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3b9s n LEU 87 N -3.29 1.74 -3.59 0.55 4.77 -0.07 -4.64 117.00 112.47 3b9s n LEU 87 Ca -0.32 -0.84 -0.23 0.00 -0.03 0.00 0.00 56.01 54.59 3b9s n LEU 87 Cb 1.05 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.22 3b9s n LEU 87 CO 0.40 0.33 0.23 0.54 -1.33 0.00 0.00 177.39 177.56 3b9s n ARG 88 N 0.14 -7.82 -3.77 3.23 5.12 -0.41 -4.97 116.66 108.19 3b9s n ARG 88 Ca 0.07 0.83 -0.36 0.00 -1.93 0.00 0.00 57.85 56.45 3b9s n ARG 88 Cb 0.33 -5.88 -0.10 0.00 -1.16 0.00 0.00 32.46 25.65 3b9s n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3b9s s ILE 89 N -3.32 5.06 0.22 0.55 1.01 -1.14 -4.92 121.20 118.65 3b9s s ILE 89 Ca 0.54 0.07 -0.32 0.00 0.00 0.00 0.00 60.65 60.94 3b9s s ILE 89 Cb -0.24 -3.34 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 3b9s s ILE 89 CO 0.73 0.37 1.70 -0.24 0.00 0.00 0.00 174.94 177.51 3b9s n SER 90 N 4.20 3.95 0.12 3.58 2.88 -1.26 -3.38 113.62 123.71 3b9s n SER 90 Ca -0.16 1.07 0.19 0.00 -1.33 0.00 0.00 58.87 58.65 3b9s n SER 90 Cb 0.52 -1.57 0.77 0.00 -0.75 0.00 0.00 64.21 63.17 3b9s n SER 90 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3b9s h PRO 91 N 6.45 0.00 -0.00 -1.46 0.11 -1.97 0.27 132.00 135.40 3b9s h PRO 91 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3b9s h PRO 91 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3b9s h PRO 91 CO 0.93 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3b9s n ASP 92 N -3.72 0.04 -0.41 -2.05 3.85 -1.26 -2.58 116.55 110.43 3b9s n ASP 92 Ca 0.06 -1.38 0.07 0.00 -0.71 0.00 0.00 54.79 52.83 3b9s n ASP 92 Cb 0.55 -0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.49 3b9s n ASP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3b9s n ARG 93 N -0.78 1.45 -5.18 0.11 1.74 0.08 -4.99 116.66 109.09 3b9s n ARG 93 Ca 0.15 -3.01 -0.32 0.00 -0.77 0.00 0.00 57.85 53.91 3b9s n ARG 93 Cb 0.08 -1.55 -0.17 0.00 -1.02 0.00 0.00 32.46 29.79 3b9s n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3b9s s VAL 94 N -3.05 2.01 -0.02 1.55 1.01 -1.06 -1.25 120.40 119.57 3b9s s VAL 94 Ca 0.35 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3b9s s VAL 94 Cb 0.33 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3b9s s VAL 94 CO -0.03 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.17 3b9s s TYR 95 N 0.37 2.70 -0.12 5.22 4.12 -0.62 -5.00 117.35 124.02 3b9s s TYR 95 Ca -0.19 -0.16 -0.02 0.00 0.02 0.00 0.00 57.07 56.73 3b9s s TYR 95 Cb -0.18 -1.59 0.04 0.00 -1.52 0.00 0.00 41.96 38.71 3b9s s TYR 95 CO 0.09 0.23 0.02 0.42 0.02 0.00 0.00 175.55 176.32 3b9s s ILE 96 N -0.81 0.41 -0.11 2.71 1.01 -1.26 -1.13 121.20 122.02 3b9s s ILE 96 Ca 0.13 -0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 3b9s s ILE 96 Cb -0.11 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3b9s s ILE 96 CO 0.02 0.05 0.57 0.20 0.00 0.00 0.00 174.94 175.79 3b9s s ASN 97 N 1.94 6.78 -0.13 3.58 0.02 -0.39 -4.94 114.94 121.80 3b9s s ASN 97 Ca 0.03 0.94 -0.05 0.00 -1.02 0.00 0.00 52.86 52.75 3b9s s ASN 97 Cb -0.14 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 3b9s s ASN 97 CO -0.07 -0.08 0.06 -0.31 0.02 0.00 0.00 177.10 176.72 3b9s s TYR 98 N 0.89 3.30 -0.07 2.20 1.51 -1.26 -0.67 117.35 123.25 3b9s s TYR 98 Ca 0.30 0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.60 3b9s s TYR 98 Cb -0.16 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3b9s s TYR 98 CO 0.13 0.43 -0.08 0.71 -1.11 0.00 0.00 175.55 175.63 3b9s s TYR 99 N -0.50 1.18 -0.50 2.71 1.51 -0.32 -4.97 117.35 116.47 3b9s s TYR 99 Ca 0.10 -0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 55.54 3b9s s TYR 99 Cb -0.12 -0.96 0.08 0.00 -0.11 0.00 0.00 41.96 40.85 3b9s s TYR 99 CO 0.02 -0.30 0.52 0.34 -1.11 0.00 0.00 175.55 175.02 3b9s s ASP 100 N 1.05 6.18 0.12 2.29 2.15 -1.26 -1.39 116.67 125.81 3b9s s ASP 100 Ca -0.08 -1.26 -0.23 0.00 0.43 0.00 0.00 52.55 51.41 3b9s s ASP 100 Cb -0.14 -2.23 -0.07 0.00 -0.30 0.00 0.00 42.92 40.17 3b9s s ASP 100 CO -0.01 -0.80 0.70 -0.04 -0.17 0.00 0.00 175.17 174.85 3b9s s MET 101 N 2.08 4.43 0.24 4.34 -1.94 0.76 -4.85 119.30 124.36 3b9s s MET 101 Ca 0.08 0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 54.76 3b9s s MET 101 Cb -0.23 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.25 3b9s s MET 101 CO 0.08 0.57 1.07 1.21 -0.01 0.00 0.00 175.02 177.93 3b9s s ASN 102 N -1.02 7.34 0.34 3.03 3.84 -1.26 -3.44 114.94 123.77 3b9s s ASN 102 Ca 0.33 2.15 0.13 0.00 0.21 0.00 0.00 52.86 55.68 3b9s s ASN 102 Cb -0.22 -2.62 0.96 0.00 -0.55 0.00 0.00 41.25 38.83 3b9s s ASN 102 CO 0.23 -0.11 1.74 0.00 -2.79 0.00 0.00 177.10 176.17 3b9s h ALA 103 N 4.27 1.94 0.00 1.71 0.00 -1.94 0.51 119.26 125.75 3b9s h ALA 103 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3b9s h ALA 103 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3b9s h ALA 103 CO 0.69 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3b9s h ALA 104 N 1.70 1.00 -0.60 0.00 0.00 -1.93 -2.49 119.26 116.94 3b9s h ALA 104 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3b9s h ALA 104 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3b9s h ALA 104 CO -0.42 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.92 3b9s n ASN 105 N -2.85 4.89 -4.00 0.00 3.02 0.16 -4.84 115.26 111.64 3b9s n ASN 105 Ca 0.01 -2.58 -0.31 0.00 -0.03 0.00 0.00 54.58 51.67 3b9s n ASN 105 Cb 0.29 -0.59 -0.16 0.00 -0.61 0.00 0.00 39.78 38.71 3b9s n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3b9s s VAL 106 N -2.10 1.72 0.22 2.41 1.01 -0.95 -4.88 120.40 117.83 3b9s s VAL 106 Ca 0.51 -1.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3b9s s VAL 106 Cb 0.34 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 3b9s s VAL 106 CO 0.21 0.12 0.71 -0.83 0.00 0.00 0.00 175.10 175.32 3b9s s GLY 107 N 1.35 2.61 -0.26 4.51 0.00 -1.26 -2.21 107.32 112.05 3b9s s GLY 107 Ca -0.03 0.15 -0.26 0.00 0.00 0.00 0.00 44.72 44.59 3b9s s GLY 107 CO -0.08 0.50 1.02 0.86 0.00 0.00 0.00 173.10 175.41 3b9s s TRP 108 N -1.52 -0.46 -1.43 1.90 -0.00 -0.11 -4.95 118.94 112.36 3b9s s TRP 108 Ca 0.43 1.10 -0.05 0.00 -0.00 0.00 0.00 56.10 57.57 3b9s s TRP 108 Cb -0.17 0.37 0.04 0.00 -0.00 0.00 0.00 33.47 33.71 3b9s s TRP 108 CO 0.21 -0.25 0.68 -1.71 -0.00 0.00 0.00 176.95 175.89 3b9s n ASN 109 N 2.02 -1.95 0.00 5.86 4.05 -1.26 -2.05 115.26 121.93 3b9s n ASN 109 Ca -0.12 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 54.02 3b9s n ASN 109 Cb 0.56 -3.55 0.00 0.00 1.23 0.00 0.00 39.78 38.02 3b9s n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3b9s n ASN 110 N -2.94 -2.44 0.00 1.20 5.03 -1.26 -4.91 115.26 109.95 3b9s n ASN 110 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 3b9s n ASN 110 Cb 0.63 -1.59 0.00 0.00 -1.02 0.00 0.00 39.78 37.80 3b9s n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3b9s n SER 111 N -0.26 0.00 -4.79 6.41 2.88 -0.87 -5.18 113.62 111.80 3b9s n SER 111 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 3b9s n SER 111 Cb 0.13 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.53 3b9s n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3b9s s THR 112 N -0.76 1.22 -2.28 2.46 -4.23 -1.26 -0.93 115.64 109.86 3b9s s THR 112 Ca 0.00 -1.90 0.29 0.00 -1.18 0.00 0.00 61.69 58.90 3b9s s THR 112 Cb 0.00 -2.13 0.69 0.00 1.34 0.00 0.00 72.50 72.40 3b9s s THR 112 CO 0.00 0.00 1.93 0.49 -0.54 0.00 0.00 174.62 176.50 3b9s n PHE 113 N -1.37 0.01 0.12 3.99 3.01 -0.94 -4.79 117.46 117.48 3b9s n PHE 113 Ca -0.16 -0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.30 3b9s n PHE 113 Cb 0.66 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.19 3b9s n PHE 113 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77