#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 2.11 -0.16 -0.52 1.75 0.40 -1.59 119.30 121.29 3b9s s MET 2 Ca 0.00 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 53.97 3b9s s MET 2 Cb 0.00 -1.94 0.01 0.00 2.84 0.00 0.00 34.83 35.74 3b9s s MET 2 CO 0.00 -0.20 -0.21 0.12 -0.65 0.00 0.00 175.02 174.08 3b9s s PHE 3 N 1.41 2.71 -0.11 4.11 5.36 -0.25 -0.77 117.98 130.44 3b9s s PHE 3 Ca 0.02 -1.47 0.03 0.00 -0.96 0.00 0.00 56.93 54.56 3b9s s PHE 3 Cb -0.13 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 3b9s s PHE 3 CO -0.08 -0.69 -0.23 0.42 -1.46 0.00 0.00 175.22 173.18 3b9s s ILE 4 N 1.00 2.03 -0.13 3.12 1.01 -0.38 -1.42 121.20 126.43 3b9s s ILE 4 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3b9s s ILE 4 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3b9s s ILE 4 CO -0.06 0.55 -0.18 0.54 0.00 0.00 0.00 174.94 175.79 3b9s s VAL 5 N 0.51 1.76 -0.18 2.92 0.11 0.29 -0.83 120.40 124.98 3b9s s VAL 5 Ca -0.15 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.06 3b9s s VAL 5 Cb -0.17 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 3b9s s VAL 5 CO 0.05 0.49 0.01 0.20 -3.33 0.00 0.00 175.10 172.53 3b9s s ASN 6 N 1.06 5.13 -0.01 3.54 0.01 -0.24 0.09 114.94 124.52 3b9s s ASN 6 Ca -0.03 -0.07 -0.09 0.00 -0.71 0.00 0.00 52.86 51.95 3b9s s ASN 6 Cb -0.14 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.66 3b9s s ASN 6 CO -0.05 0.14 0.19 0.28 -1.51 0.00 0.00 177.10 176.16 3b9s s THR 7 N 0.57 0.07 -1.42 1.60 -1.32 -0.12 -0.94 115.64 114.07 3b9s s THR 7 Ca 0.00 -0.55 0.29 0.00 -1.21 0.00 0.00 61.69 60.22 3b9s s THR 7 Cb -0.14 -0.47 0.50 0.00 -1.51 0.00 0.00 72.50 70.89 3b9s s THR 7 CO 0.02 -0.30 2.02 -0.46 -2.21 0.00 0.00 174.62 173.68 3b9s n ASN 8 N 1.58 0.00 -4.75 8.08 6.94 -1.23 -1.32 115.26 124.57 3b9s n ASN 8 Ca -0.21 -0.11 -0.41 0.00 -0.02 0.00 0.00 54.58 53.82 3b9s n ASN 8 Cb 0.56 -0.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.67 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 -2.58 2.34 0.61 3.53 1.01 -1.26 -4.21 120.40 119.84 3b9s s VAL 9 Ca 0.27 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 3b9s s VAL 9 Cb 0.20 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3b9s s VAL 9 CO 0.45 0.04 1.13 -2.16 0.00 0.00 0.00 175.10 174.56 3b9s s PRO 10 N -0.36 3.01 0.23 2.72 0.04 -1.26 -0.54 135.00 138.83 3b9s s PRO 10 Ca 0.62 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 3b9s s PRO 10 Cb -0.45 -1.97 0.38 0.00 0.04 0.00 0.00 34.50 32.50 3b9s s PRO 10 CO 0.45 -1.11 1.73 -0.09 0.04 0.00 0.00 177.00 178.02 3b9s h ARG 11 N 0.55 0.40 -0.50 4.56 9.65 -1.92 0.27 114.38 127.39 3b9s h ARG 11 Ca -0.48 -0.02 0.15 0.00 -1.10 0.00 0.00 59.98 58.52 3b9s h ARG 11 Cb 1.26 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 3b9s h ARG 11 CO 0.55 0.27 0.43 0.00 2.80 0.00 0.00 179.97 184.02 3b9s h ALA 12 N 1.50 2.32 -0.01 2.80 0.00 -2.03 -1.22 119.26 122.62 3b9s h ALA 12 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3b9s h ALA 12 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3b9s h ALA 12 CO -0.37 -0.69 -0.04 0.43 0.00 0.00 0.00 179.25 178.57 3b9s n SER 13 N -4.01 0.71 -4.60 0.00 7.64 0.08 -4.74 113.62 108.71 3b9s n SER 13 Ca 0.09 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.51 3b9s n SER 13 Cb 0.64 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.17 4.82 0.51 0.44 1.01 -0.46 -4.73 120.40 119.82 3b9s s VAL 14 Ca 0.38 0.94 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 3b9s s VAL 14 Cb 0.21 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 3b9s s VAL 14 CO 0.40 -0.29 1.08 -2.16 0.00 0.00 0.00 175.10 174.13 3b9s s PRO 15 N 2.89 3.62 0.33 2.72 0.04 -1.26 -4.96 135.00 138.38 3b9s s PRO 15 Ca 0.29 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 3b9s s PRO 15 Cb -0.14 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 3b9s s PRO 15 CO 0.14 -0.60 1.16 -0.25 0.04 0.00 0.00 177.00 177.49 3b9s n ASP 16 N -1.10 2.08 0.00 6.66 8.00 -1.26 -2.05 116.55 128.88 3b9s n ASP 16 Ca 0.10 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.78 3b9s n ASP 16 Cb 0.52 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 3b9s n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b9s n GLY 17 N 0.97 1.03 0.20 0.44 0.00 -1.26 -4.97 105.19 101.60 3b9s n GLY 17 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.59 -0.39 1.61 3.57 -1.79 0.06 116.94 120.59 3b9s h PHE 18 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3b9s h PHE 18 Cb 0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3b9s h PHE 18 CO 0.00 0.41 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.30 3b9s h LEU 19 N 0.60 0.69 -0.93 0.59 3.38 -1.93 -0.21 115.31 117.51 3b9s h LEU 19 Ca 0.16 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3b9s h LEU 19 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3b9s h LEU 19 CO -0.03 0.84 -0.20 0.28 0.09 0.00 0.00 178.44 179.42 3b9s h SER 20 N 0.64 0.55 -0.21 -0.43 0.02 -1.88 -1.77 113.55 110.47 3b9s h SER 20 Ca 0.11 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 3b9s h SER 20 Cb 0.58 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3b9s h SER 20 CO 0.04 0.76 -0.33 -0.08 -1.14 0.00 0.00 176.83 176.07 3b9s h GLU 21 N 0.50 0.60 -0.46 3.45 4.81 -0.53 -0.97 114.58 121.99 3b9s h GLU 21 Ca 0.08 -0.36 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3b9s h GLU 21 Cb 0.62 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.96 3b9s h GLU 21 CO 0.04 0.97 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.20 3b9s h LEU 22 N 0.28 -0.24 -0.11 1.64 3.38 -1.00 -0.72 115.31 118.54 3b9s h LEU 22 Ca 0.02 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3b9s h LEU 22 Cb 0.92 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3b9s h LEU 22 CO 0.08 -0.08 0.02 0.74 0.09 0.00 0.00 178.44 179.28 3b9s h THR 23 N 0.09 0.95 -0.33 0.22 2.02 -1.11 0.20 112.91 114.94 3b9s h THR 23 Ca 0.23 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 3b9s h THR 23 Cb 0.34 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3b9s h THR 23 CO -0.40 0.01 0.16 1.56 0.37 0.00 0.00 175.52 177.22 3b9s h GLN 24 N 0.06 0.48 -0.29 6.66 4.20 -0.99 -0.24 115.11 124.99 3b9s h GLN 24 Ca 0.05 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3b9s h GLN 24 Cb 0.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3b9s h GLN 24 CO -0.07 0.44 -0.44 1.96 -0.67 0.00 0.00 178.83 180.05 3b9s h GLN 25 N 0.40 0.74 -0.48 1.46 1.08 -0.99 -1.55 115.11 115.78 3b9s h GLN 25 Ca 0.11 -0.41 -0.10 0.00 -1.45 0.00 0.00 58.65 56.80 3b9s h GLN 25 Cb 0.12 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3b9s h GLN 25 CO -0.01 1.03 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.72 3b9s h LEU 26 N 0.60 0.88 -0.25 1.46 3.38 -0.86 -0.19 115.31 120.33 3b9s h LEU 26 Ca 0.04 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3b9s h LEU 26 Cb 1.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3b9s h LEU 26 CO 0.09 1.01 0.03 0.00 0.09 0.00 0.00 178.44 179.67 3b9s h ALA 27 N 1.07 0.25 -0.03 1.53 0.00 -0.75 0.34 119.26 121.67 3b9s h ALA 27 Ca 0.13 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3b9s h ALA 27 Cb 0.63 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3b9s h ALA 27 CO 0.04 -0.38 -0.09 0.37 0.00 0.00 0.00 179.25 179.18 3b9s h GLN 28 N 0.13 -0.14 -0.60 0.00 5.75 -1.14 -2.48 115.11 116.62 3b9s h GLN 28 Ca 0.12 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 3b9s h GLN 28 Cb 0.13 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3b9s h GLN 28 CO -0.17 -0.09 0.09 0.00 -2.65 0.00 0.00 178.83 176.01 3b9s h ALA 29 N 0.86 0.80 0.00 3.38 0.00 -0.82 -3.29 119.26 120.19 3b9s h ALA 29 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3b9s h ALA 29 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3b9s h ALA 29 CO -0.12 0.56 -0.63 0.25 0.00 0.00 0.00 179.25 179.31 3b9s n THR 30 N -4.29 0.34 -1.09 0.00 -2.24 0.09 -4.94 114.28 102.14 3b9s n THR 30 Ca 0.03 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 3b9s n THR 30 Cb 0.28 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.34 0.61 3.88 3.38 0.00 -0.94 -5.05 105.19 108.41 3b9s n GLY 31 Ca 0.03 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.56 3.60 0.44 1.61 -0.14 -1.17 -5.04 119.74 117.48 3b9s s LYS 32 Ca 0.00 -0.04 -0.26 0.00 -1.36 0.00 0.00 55.97 54.31 3b9s s LYS 32 Cb 0.00 -3.07 -0.09 0.00 -1.68 0.00 0.00 37.83 32.99 3b9s s LYS 32 CO 0.00 0.64 1.45 -2.30 -0.76 0.00 0.00 175.35 174.38 3b9s n PRO 33 N 1.09 2.37 0.22 -1.68 -0.02 -1.26 -4.51 135.00 131.21 3b9s n PRO 33 Ca -0.11 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.37 3b9s n PRO 33 Cb 0.53 -2.65 0.82 0.00 -0.02 0.00 0.00 33.50 32.18 3b9s n PRO 33 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3b9s h PRO 34 N 2.45 0.00 -0.15 0.52 0.13 -1.92 -2.21 132.00 130.83 3b9s h PRO 34 Ca -0.51 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3b9s h PRO 34 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3b9s h PRO 34 CO 0.62 0.00 0.17 1.96 -0.23 0.00 0.00 178.00 180.52 3b9s h GLN 35 N 0.00 0.00 0.00 0.86 7.50 -1.98 -1.54 115.11 119.96 3b9s h GLN 35 Ca 0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 3b9s h GLN 35 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.89 3b9s h GLN 35 CO -0.00 0.00 -0.58 0.66 -1.50 0.00 0.00 178.83 177.41 3b9s n TYR 36 N -3.77 0.51 -3.18 2.96 4.01 -0.83 -4.95 117.16 111.90 3b9s n TYR 36 Ca 0.01 0.15 -0.39 0.00 -0.16 0.00 0.00 57.90 57.51 3b9s n TYR 36 Cb 0.28 -0.63 -0.05 0.00 -0.31 0.00 0.00 39.34 38.63 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 -3.15 5.05 -0.06 -0.72 1.01 -0.58 -4.14 121.20 118.61 3b9s s ILE 37 Ca 0.07 1.22 0.04 0.00 0.00 0.00 0.00 60.65 61.98 3b9s s ILE 37 Cb 0.14 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3b9s s ILE 37 CO 0.71 0.33 -0.16 0.00 0.00 0.00 0.00 174.94 175.82 3b9s s ALA 38 N 0.41 2.58 0.03 9.38 0.00 -0.62 -5.02 121.76 128.52 3b9s s ALA 38 Ca 0.32 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3b9s s ALA 38 Cb -0.17 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3b9s s ALA 38 CO 0.15 0.50 -0.07 0.14 0.00 0.00 0.00 175.76 176.48 3b9s s VAL 39 N -0.51 0.50 -0.19 0.00 -7.23 -1.26 -1.09 120.40 110.62 3b9s s VAL 39 Ca 0.07 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.24 3b9s s VAL 39 Cb -0.12 -0.55 0.08 0.00 0.56 0.00 0.00 36.38 36.36 3b9s s VAL 39 CO 0.01 -0.30 0.42 -2.28 -0.31 0.00 0.00 175.10 172.64 3b9s s HIS 40 N -1.16 -0.73 -0.11 2.82 5.04 -0.51 -4.97 115.29 115.67 3b9s s HIS 40 Ca -0.08 1.44 0.03 0.00 -1.54 0.00 0.00 55.06 54.91 3b9s s HIS 40 Cb -0.09 0.29 0.01 0.00 0.04 0.00 0.00 32.58 32.83 3b9s s HIS 40 CO 0.00 -0.43 -0.21 0.08 -2.34 0.00 0.00 174.74 171.84 3b9s s VAL 41 N 2.17 1.88 -0.42 0.89 1.01 -1.26 -0.55 120.40 124.12 3b9s s VAL 41 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3b9s s VAL 41 Cb -0.11 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.74 3b9s s VAL 41 CO -0.13 0.52 0.16 -0.69 0.00 0.00 0.00 175.10 174.96 3b9s s VAL 42 N 0.56 2.07 0.61 2.92 1.01 0.11 -4.98 120.40 122.71 3b9s s VAL 42 Ca -0.14 -2.62 -0.06 0.00 0.00 0.00 0.00 61.98 59.15 3b9s s VAL 42 Cb -0.17 -2.49 0.13 0.00 0.00 0.00 0.00 36.38 33.86 3b9s s VAL 42 CO 0.05 -0.73 0.83 -0.81 0.00 0.00 0.00 175.10 174.44 3b9s n PRO 43 N 3.79 -0.41 -1.84 2.72 -0.04 -1.26 -0.94 135.00 137.01 3b9s n PRO 43 Ca 0.04 -1.72 -0.20 0.00 -0.04 0.00 0.00 63.50 61.59 3b9s n PRO 43 Cb 0.37 -0.73 -0.06 0.00 -0.04 0.00 0.00 33.50 33.04 3b9s n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3b9s n ASP 44 N -3.27 -5.43 -4.80 3.54 9.92 0.30 -4.82 116.55 111.99 3b9s n ASP 44 Ca 0.12 0.34 -0.35 0.00 -0.53 0.00 0.00 54.79 54.37 3b9s n ASP 44 Cb 0.42 -4.72 -0.05 0.00 -0.64 0.00 0.00 41.12 36.13 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 -4.12 4.08 -0.77 -1.24 -1.52 -0.44 -4.94 119.66 110.72 3b9s s GLN 45 Ca 0.00 1.35 -0.24 0.00 -1.95 0.00 0.00 55.36 54.52 3b9s s GLN 45 Cb 0.00 -2.32 0.06 0.00 -0.22 0.00 0.00 33.01 30.54 3b9s s GLN 45 CO 0.00 -0.18 1.15 -0.51 -0.25 0.00 0.00 175.29 175.50 3b9s s LEU 46 N -3.02 3.95 0.06 2.90 1.43 -1.26 -4.11 118.68 118.62 3b9s s LEU 46 Ca 0.62 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 3b9s s LEU 46 Cb -0.17 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3b9s s LEU 46 CO 0.21 -1.54 0.10 0.00 0.23 0.00 0.00 176.35 175.36 3b9s s MET 47 N 4.57 0.68 0.03 1.70 0.23 -1.26 -5.07 119.30 120.18 3b9s s MET 47 Ca 0.31 -0.91 0.03 0.00 -1.03 0.00 0.00 55.69 54.09 3b9s s MET 47 Cb -0.10 0.26 -0.02 0.00 -1.53 0.00 0.00 34.83 33.44 3b9s s MET 47 CO 0.07 -0.18 -0.09 0.00 -2.03 0.00 0.00 175.02 172.79 3b9s s ALA 48 N -3.26 0.71 -0.11 3.16 0.00 -1.26 -4.61 121.76 116.38 3b9s s ALA 48 Ca 0.01 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 3b9s s ALA 48 Cb 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3b9s s ALA 48 CO -0.08 0.08 -0.08 0.12 0.00 0.00 0.00 175.76 175.80 3b9s s PHE 49 N -0.93 1.47 -1.39 0.00 5.36 -0.29 -4.78 117.98 117.42 3b9s s PHE 49 Ca -0.04 -0.71 -0.04 0.00 -0.96 0.00 0.00 56.93 55.18 3b9s s PHE 49 Cb -0.07 -1.21 0.02 0.00 -0.34 0.00 0.00 43.02 41.41 3b9s s PHE 49 CO 0.01 -0.49 0.30 0.41 -1.46 0.00 0.00 175.22 173.98 3b9s n GLY 50 N 4.82 -0.50 0.85 13.12 0.00 -1.26 -2.30 105.19 119.91 3b9s n GLY 50 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.14 0.79 3.07 -0.02 0.00 -1.26 -5.06 105.19 101.57 3b9s n GLY 51 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.05 1.10 -0.24 1.61 0.15 -0.97 -5.04 113.70 108.25 3b9s s SER 52 Ca 0.00 -0.45 0.14 0.00 0.70 0.00 0.00 55.95 56.34 3b9s s SER 52 Cb 0.00 -0.03 0.71 0.00 -1.71 0.00 0.00 66.02 64.99 3b9s s SER 52 CO 0.00 -0.08 1.65 -1.54 1.20 0.00 0.00 173.24 174.46 3b9s n SER 53 N 1.83 4.89 -4.67 5.45 3.41 -1.26 -1.14 113.62 122.12 3b9s n SER 53 Ca -0.20 -3.04 -0.33 0.00 -0.26 0.00 0.00 58.87 55.04 3b9s n SER 53 Cb 0.55 -0.65 0.14 0.00 -0.26 0.00 0.00 64.21 63.99 3b9s n SER 53 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3b9s n GLU 54 N 0.06 -0.05 -1.60 4.33 4.07 -1.26 -4.86 120.64 121.33 3b9s n GLU 54 Ca 0.28 0.06 -0.49 0.00 -0.06 0.00 0.00 57.16 56.96 3b9s n GLU 54 Cb 1.13 -2.38 -0.04 0.00 -0.06 0.00 0.00 31.44 30.08 3b9s n GLU 54 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3b9s n PRO 55 N -3.48 1.35 -4.01 5.31 -0.02 -1.26 -4.81 135.00 128.07 3b9s n PRO 55 Ca 0.13 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3b9s n PRO 55 Cb 0.51 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 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 -3.89 -0.56 -0.17 0.00 0.00 -0.46 -3.52 121.76 113.16 3b9s s ALA 57 Ca 0.24 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3b9s s ALA 57 Cb -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3b9s s ALA 57 CO 0.10 -0.13 -0.17 -0.51 0.00 0.00 0.00 175.76 175.05 3b9s s LEU 58 N 0.40 2.30 0.22 0.00 1.43 -0.12 -1.47 118.68 121.44 3b9s s LEU 58 Ca -0.02 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3b9s s LEU 58 Cb -0.04 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3b9s s LEU 58 CO -0.02 0.03 -0.06 0.00 0.23 0.00 0.00 176.35 176.53 3b9s s SER 60 N -3.31 0.51 -0.13 0.00 1.04 -0.01 -1.05 113.70 110.74 3b9s s SER 60 Ca 0.25 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 3b9s s SER 60 Cb 0.03 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.27 3b9s s SER 60 CO 0.07 -0.30 -0.05 -0.22 0.98 0.00 0.00 173.24 173.72 3b9s s LEU 61 N -1.69 1.26 -0.13 2.42 2.96 -0.08 -1.24 118.68 122.18 3b9s s LEU 61 Ca -0.11 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3b9s s LEU 61 Cb -0.08 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 3b9s s LEU 61 CO -0.01 -0.16 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.83 3b9s s HIS 62 N 1.73 3.06 0.01 5.38 3.76 0.05 -0.82 115.29 128.45 3b9s s HIS 62 Ca 0.03 -0.09 -0.06 0.00 -0.15 0.00 0.00 55.06 54.79 3b9s s HIS 62 Cb -0.14 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.67 3b9s s HIS 62 CO -0.08 0.17 0.10 0.45 -0.85 0.00 0.00 174.74 174.53 3b9s s SER 63 N -0.15 0.08 -0.63 1.40 0.15 -0.72 -0.46 113.70 113.37 3b9s s SER 63 Ca 0.03 -0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.19 3b9s s SER 63 Cb -0.13 0.18 0.08 0.00 -1.71 0.00 0.00 66.02 64.44 3b9s s SER 63 CO 0.02 -0.36 0.87 -0.63 1.20 0.00 0.00 173.24 174.35 3b9s s ILE 64 N -1.42 4.49 0.06 6.45 1.01 -1.26 -0.41 121.20 130.13 3b9s s ILE 64 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3b9s s ILE 64 Cb -0.08 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.78 3b9s s ILE 64 CO 0.01 -1.32 0.00 0.61 0.00 0.00 0.00 174.94 174.24 3b9s n GLY 65 N 5.30 -1.21 2.37 6.18 0.00 -1.25 -4.94 105.19 111.64 3b9s n GLY 65 Ca -0.05 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 3b9s n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b9s n LYS 66 N -2.24 -1.24 -5.20 1.61 4.76 -1.26 -4.92 118.16 109.67 3b9s n LYS 66 Ca 0.00 0.89 -0.32 0.00 -2.87 0.00 0.00 58.31 56.01 3b9s n LYS 66 Cb 0.12 -5.22 -0.17 0.00 -1.84 0.00 0.00 35.03 27.92 3b9s n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3b9s s ILE 67 N -2.74 2.11 0.00 -0.18 -1.09 -1.26 -4.83 121.20 113.21 3b9s s ILE 67 Ca 0.00 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 3b9s s ILE 67 Cb 0.00 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.07 3b9s s ILE 67 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3b9s n GLY 68 N 3.49 0.22 0.43 6.18 0.00 -1.26 -4.99 105.19 109.25 3b9s n GLY 68 Ca -0.19 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 -1.12 0.93 -0.02 0.00 -1.99 0.20 103.07 101.07 3b9s h GLY 69 Ca 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 47.33 47.92 3b9s h GLY 69 CO 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 176.54 176.09 3b9s h ALA 70 N -0.32 0.39 -0.63 3.60 0.00 -1.99 -1.99 119.26 118.32 3b9s h ALA 70 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3b9s h ALA 70 Cb 0.60 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3b9s h ALA 70 CO -0.45 0.37 0.36 1.96 0.00 0.00 0.00 179.25 181.49 3b9s h GLN 71 N 0.37 0.67 -0.50 0.00 4.20 -1.89 -1.12 115.11 116.83 3b9s h GLN 71 Ca 0.05 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3b9s h GLN 71 Cb 0.80 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3b9s h GLN 71 CO 0.06 0.44 0.04 -0.91 -0.67 0.00 0.00 178.83 177.80 3b9s h ASN 72 N 0.69 0.76 -0.55 1.46 2.35 -0.48 -0.03 115.58 119.78 3b9s h ASN 72 Ca 0.27 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3b9s h ASN 72 Cb 0.12 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3b9s h ASN 72 CO -0.15 0.80 0.22 0.03 -1.65 0.00 0.00 177.43 176.69 3b9s h ARG 73 N 0.76 0.82 -0.32 0.81 3.08 -0.96 -0.46 114.38 118.11 3b9s h ARG 73 Ca 0.16 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3b9s h ARG 73 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3b9s h ARG 73 CO 0.01 0.71 0.16 1.03 -1.07 0.00 0.00 179.97 180.82 3b9s h SER 74 N 0.75 0.42 -0.70 7.04 0.87 -0.74 -1.02 113.55 120.18 3b9s h SER 74 Ca 0.18 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3b9s h SER 74 Cb 0.19 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3b9s h SER 74 CO -0.02 0.42 0.44 1.88 -0.53 0.00 0.00 176.83 179.02 3b9s h TYR 75 N 0.39 0.83 -0.57 2.24 0.99 -0.94 -1.70 116.97 118.21 3b9s h TYR 75 Ca 0.11 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 3b9s h TYR 75 Cb 0.10 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 37.54 3b9s h TYR 75 CO -0.02 0.49 0.15 0.77 -0.00 0.00 0.00 178.16 179.55 3b9s h SER 76 N 0.88 0.85 -0.16 3.88 0.02 -0.61 0.14 113.55 118.54 3b9s h SER 76 Ca 0.27 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3b9s h SER 76 Cb -0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3b9s h SER 76 CO -0.09 0.85 -0.03 0.50 -1.14 0.00 0.00 176.83 176.92 3b9s h LYS 77 N 0.80 0.02 0.02 3.45 3.64 -1.00 0.19 116.57 123.69 3b9s h LYS 77 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3b9s h LYS 77 Cb 0.32 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3b9s h LYS 77 CO -0.00 0.01 -0.03 1.25 -2.27 0.00 0.00 179.45 178.41 3b9s h LEU 78 N 0.02 -0.07 -0.07 5.20 5.85 -0.86 -1.44 115.31 123.95 3b9s h LEU 78 Ca 0.08 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 3b9s h LEU 78 Cb 0.11 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.17 3b9s h LEU 78 CO -0.15 -0.04 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.30 3b9s h LEU 79 N -0.06 0.58 -0.93 2.25 3.38 -0.64 -1.46 115.31 118.43 3b9s h LEU 79 Ca 0.00 -0.68 0.05 0.00 0.09 0.00 0.00 57.88 57.34 3b9s h LEU 79 Cb 0.06 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3b9s h LEU 79 CO -0.01 1.18 0.60 0.00 0.09 0.00 0.00 178.44 180.29 3b9s h GLY 81 N 1.13 0.29 0.93 0.00 0.00 -0.94 -0.48 103.07 104.01 3b9s h GLY 81 Ca 0.38 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.79 3b9s h GLY 81 CO -0.14 -0.17 -0.04 1.41 0.00 0.00 0.00 176.54 177.60 3b9s h LEU 82 N -0.01 0.66 -1.09 3.11 3.38 -0.94 -0.76 115.31 119.66 3b9s h LEU 82 Ca 0.21 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3b9s h LEU 82 Cb 0.33 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3b9s h LEU 82 CO -0.45 0.84 0.41 -0.07 0.09 0.00 0.00 178.44 179.26 3b9s h LEU 83 N 0.47 0.94 0.07 1.67 3.38 -0.81 0.10 115.31 121.13 3b9s h LEU 83 Ca 0.10 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3b9s h LEU 83 Cb 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3b9s h LEU 83 CO 0.03 0.76 -0.03 0.00 0.09 0.00 0.00 178.44 179.28 3b9s h ALA 84 N 1.40 -0.10 -0.40 1.53 0.00 -0.98 0.69 119.26 121.41 3b9s h ALA 84 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3b9s h ALA 84 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3b9s h ALA 84 CO -0.04 -0.31 0.18 1.49 0.00 0.00 0.00 179.25 180.57 3b9s h GLU 85 N -0.59 0.58 0.08 0.00 4.81 -1.00 -1.94 114.58 116.52 3b9s h GLU 85 Ca -0.01 -0.09 -0.36 0.00 -0.13 0.00 0.00 59.36 58.77 3b9s h GLU 85 Cb 0.50 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3b9s h GLU 85 CO 0.02 0.52 -2.06 0.54 -0.73 0.00 0.00 179.01 177.30 3b9s n ARG 86 N -4.68 0.72 0.00 1.92 5.12 0.33 -4.48 116.66 115.60 3b9s n ARG 86 Ca 0.00 0.24 0.07 0.00 -1.93 0.00 0.00 57.85 56.23 3b9s n ARG 86 Cb 0.12 -1.68 0.04 0.00 -1.16 0.00 0.00 32.46 29.78 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 -3.35 2.01 -3.81 0.55 4.77 0.17 -4.61 117.00 112.73 3b9s n LEU 87 Ca -0.32 -0.93 -0.28 0.00 -0.03 0.00 0.00 56.01 54.45 3b9s n LEU 87 Cb 1.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.17 3b9s n LEU 87 CO 0.40 0.37 0.13 0.54 -1.33 0.00 0.00 177.39 177.50 3b9s n ARG 88 N 0.53 -6.16 -3.69 3.23 1.74 -0.73 -4.95 116.66 106.62 3b9s n ARG 88 Ca 0.08 0.67 -0.35 0.00 -0.77 0.00 0.00 57.85 57.47 3b9s n ARG 88 Cb 0.35 -5.58 -0.08 0.00 -1.02 0.00 0.00 32.46 26.13 3b9s n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3b9s s ILE 89 N -3.33 5.39 0.19 0.55 1.01 -1.08 -4.91 121.20 119.01 3b9s s ILE 89 Ca 0.58 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 61.18 3b9s s ILE 89 Cb -0.28 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 3b9s s ILE 89 CO 0.80 0.43 1.46 -0.55 0.00 0.00 0.00 174.94 177.08 3b9s s SER 90 N 0.38 6.68 0.55 3.58 0.15 -1.26 -3.37 113.70 120.41 3b9s s SER 90 Ca 0.10 2.57 0.30 0.00 0.70 0.00 0.00 55.95 59.61 3b9s s SER 90 Cb -0.11 -2.61 1.46 0.00 -1.71 0.00 0.00 66.02 63.05 3b9s s SER 90 CO -0.01 -0.72 1.91 -0.65 1.20 0.00 0.00 173.24 174.97 3b9s h PRO 91 N 5.96 0.00 -0.11 5.44 0.11 -1.97 0.36 132.00 141.80 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 0.84 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3b9s n ASP 92 N -4.14 0.61 -0.70 -2.05 5.68 -1.26 -2.77 116.55 111.93 3b9s n ASP 92 Ca 0.14 -2.00 0.06 0.00 -0.50 0.00 0.00 54.79 52.49 3b9s n ASP 92 Cb 0.82 -0.08 0.14 0.00 -1.14 0.00 0.00 41.12 40.87 3b9s n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3b9s n ARG 93 N -0.17 1.10 -4.87 0.11 1.74 0.12 -5.01 116.66 109.67 3b9s n ARG 93 Ca 0.04 -2.76 -0.30 0.00 -0.77 0.00 0.00 57.85 54.06 3b9s n ARG 93 Cb 0.10 -1.18 -0.17 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.28 1.75 -0.07 1.55 1.01 -1.11 -1.35 120.40 119.90 3b9s s VAL 94 Ca 0.34 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3b9s s VAL 94 Cb 0.34 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3b9s s VAL 94 CO -0.07 0.49 -0.15 -0.31 0.00 0.00 0.00 175.10 175.06 3b9s s TYR 95 N 0.59 2.71 -0.12 5.22 4.12 -0.54 -4.99 117.35 124.33 3b9s s TYR 95 Ca -0.14 -0.30 -0.00 0.00 0.02 0.00 0.00 57.07 56.64 3b9s s TYR 95 Cb -0.17 -1.68 0.02 0.00 -1.52 0.00 0.00 41.96 38.62 3b9s s TYR 95 CO 0.05 0.07 -0.10 0.42 0.02 0.00 0.00 175.55 176.01 3b9s s ILE 96 N -0.45 1.21 -0.19 2.71 1.01 -1.26 -0.40 121.20 123.83 3b9s s ILE 96 Ca 0.05 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 3b9s s ILE 96 Cb -0.12 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3b9s s ILE 96 CO 0.02 0.40 0.48 0.20 0.00 0.00 0.00 174.94 176.04 3b9s s ASN 97 N 1.63 6.53 -0.16 3.58 0.02 -0.22 -4.94 114.94 121.38 3b9s s ASN 97 Ca 0.05 0.64 -0.08 0.00 -1.02 0.00 0.00 52.86 52.45 3b9s s ASN 97 Cb -0.13 -2.27 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 3b9s s ASN 97 CO -0.09 -0.13 0.11 -0.31 0.02 0.00 0.00 177.10 176.69 3b9s s TYR 98 N 1.45 3.41 -0.10 2.20 1.51 -1.26 -0.90 117.35 123.67 3b9s s TYR 98 Ca 0.23 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.63 3b9s s TYR 98 Cb -0.15 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3b9s s TYR 98 CO 0.09 0.42 -0.13 0.71 -1.11 0.00 0.00 175.55 175.53 3b9s s TYR 99 N -0.18 1.74 -0.47 2.71 1.51 0.00 -4.97 117.35 117.69 3b9s s TYR 99 Ca 0.09 -0.78 -0.19 0.00 -1.01 0.00 0.00 57.07 55.19 3b9s s TYR 99 Cb -0.12 -1.29 0.04 0.00 -0.11 0.00 0.00 41.96 40.49 3b9s s TYR 99 CO 0.01 -0.42 0.59 0.34 -1.11 0.00 0.00 175.55 174.95 3b9s s ASP 100 N 1.02 6.24 0.07 2.29 -1.08 -1.26 -1.75 116.67 122.19 3b9s s ASP 100 Ca -0.07 -0.72 -0.17 0.00 -0.52 0.00 0.00 52.55 51.07 3b9s s ASP 100 Cb -0.15 -2.28 -0.06 0.00 -1.46 0.00 0.00 42.92 38.97 3b9s s ASP 100 CO -0.01 -0.79 0.52 -0.04 0.52 0.00 0.00 175.17 175.37 3b9s s MET 101 N 2.56 4.08 0.16 4.34 -1.94 0.46 -4.91 119.30 124.05 3b9s s MET 101 Ca 0.16 0.60 -0.30 0.00 -1.71 0.00 0.00 55.69 54.45 3b9s s MET 101 Cb -0.17 -3.18 -0.07 0.00 2.01 0.00 0.00 34.83 33.42 3b9s s MET 101 CO 0.14 0.63 0.95 -0.80 -0.01 0.00 0.00 175.02 175.93 3b9s s ASN 102 N -1.22 7.55 0.43 3.03 0.01 -1.26 -3.85 114.94 119.64 3b9s s ASN 102 Ca 0.29 1.85 0.18 0.00 -0.71 0.00 0.00 52.86 54.47 3b9s s ASN 102 Cb -0.18 -2.60 1.11 0.00 0.41 0.00 0.00 41.25 39.99 3b9s s ASN 102 CO 0.18 0.02 1.88 0.00 -1.51 0.00 0.00 177.10 177.66 3b9s h ALA 103 N 5.05 2.23 0.00 0.60 0.00 -1.94 0.30 119.26 125.49 3b9s h ALA 103 Ca -0.44 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3b9s h ALA 103 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3b9s h ALA 103 CO 0.70 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.44 3b9s h ALA 104 N 1.62 1.16 -0.45 0.00 0.00 -1.92 -2.87 119.26 116.80 3b9s h ALA 104 Ca 0.43 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3b9s h ALA 104 Cb 1.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3b9s h ALA 104 CO -0.14 0.04 0.05 0.09 0.00 0.00 0.00 179.25 179.29 3b9s n ASN 105 N -3.35 4.50 -3.98 0.00 3.02 0.11 -4.84 115.26 110.72 3b9s n ASN 105 Ca -0.02 -3.10 -0.29 0.00 -0.03 0.00 0.00 54.58 51.14 3b9s n ASN 105 Cb 0.16 -0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.88 1.39 0.16 2.41 1.01 -1.13 -4.88 120.40 116.48 3b9s s VAL 106 Ca 0.49 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 3b9s s VAL 106 Cb 0.39 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 3b9s s VAL 106 CO 0.11 0.39 0.40 -0.83 0.00 0.00 0.00 175.10 175.17 3b9s s GLY 107 N 1.55 2.19 -0.29 4.51 0.00 -1.26 -2.58 107.32 111.45 3b9s s GLY 107 Ca 0.04 -0.55 -0.23 0.00 0.00 0.00 0.00 44.72 43.98 3b9s s GLY 107 CO -0.10 -0.47 1.09 0.86 0.00 0.00 0.00 173.10 174.49 3b9s s TRP 108 N -1.71 -0.41 -1.38 1.90 -0.00 -0.28 -4.96 118.94 112.10 3b9s s TRP 108 Ca 0.42 0.97 -0.01 0.00 -0.00 0.00 0.00 56.10 57.47 3b9s s TRP 108 Cb -0.12 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.72 3b9s s TRP 108 CO 0.25 -0.20 0.47 -1.71 -0.00 0.00 0.00 176.95 175.76 3b9s n ASN 109 N 2.40 -0.69 0.00 5.86 4.05 -1.26 -1.67 115.26 123.95 3b9s n ASN 109 Ca -0.13 -0.99 0.00 0.00 0.45 0.00 0.00 54.58 53.91 3b9s n ASN 109 Cb 0.56 -3.18 0.00 0.00 1.23 0.00 0.00 39.78 38.39 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 -2.97 -0.99 0.00 1.20 3.02 -1.26 -4.89 115.26 109.37 3b9s n ASN 110 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3b9s n ASN 110 Cb 0.68 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3b9s n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3b9s n SER 111 N -0.08 0.00 -4.77 6.41 2.88 -0.67 -5.18 113.62 112.21 3b9s n SER 111 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3b9s n SER 111 Cb 0.04 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.96 1.11 -0.85 2.46 -4.23 -1.26 -1.13 115.64 110.78 3b9s s THR 112 Ca 0.00 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.76 3b9s s THR 112 Cb 0.00 -2.11 0.08 0.00 1.34 0.00 0.00 72.50 71.81 3b9s s THR 112 CO 0.00 0.00 1.48 0.49 -0.54 0.00 0.00 174.62 176.05 3b9s n PHE 113 N -1.28 0.27 0.00 3.99 3.01 -1.07 -4.82 117.46 117.57 3b9s n PHE 113 Ca -0.20 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3b9s n PHE 113 Cb 0.67 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3b9s n PHE 113 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77