#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8a s SER 2 N 0.00 6.40 -0.73 7.83 0.15 -1.26 -4.96 113.70 121.12 2b8a s SER 2 Ca 0.00 -2.77 0.04 0.00 0.70 0.00 0.00 55.95 53.92 2b8a s SER 2 Cb 0.00 -2.12 0.19 0.00 -1.71 0.00 0.00 66.02 62.38 2b8a s SER 2 CO 0.00 -0.51 0.58 -1.14 1.20 0.00 0.00 173.24 173.37 2b8a n ARG 3 N 3.80 2.06 -2.73 5.44 0.00 -1.26 -4.93 116.66 119.05 2b8a n ARG 3 Ca 0.13 -4.52 -0.02 0.00 -0.00 0.00 0.00 57.85 53.44 2b8a n ARG 3 Cb 0.45 -2.31 -0.01 0.00 0.00 0.00 0.00 32.46 30.59 2b8a n ARG 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2b8a n SER 4 N 1.87 -5.81 -4.57 6.15 7.64 -1.26 -4.77 113.62 112.87 2b8a n SER 4 Ca 0.21 1.34 -0.33 0.00 1.01 0.00 0.00 58.87 61.11 2b8a n SER 4 Cb 0.36 -5.00 -0.04 0.00 -1.01 0.00 0.00 64.21 58.51 2b8a n SER 4 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2b8a s ASN 5 N -1.29 5.64 -0.16 6.43 -0.87 -1.26 -4.87 114.94 118.56 2b8a s ASN 5 Ca -0.08 -1.48 -0.07 0.00 -1.57 0.00 0.00 52.86 49.65 2b8a s ASN 5 Cb 0.01 -2.58 0.07 0.00 -0.02 0.00 0.00 41.25 38.73 2b8a s ASN 5 CO 0.72 -2.37 0.37 0.00 -2.57 0.00 0.00 177.10 173.25 2b8a s ARG 6 N 5.97 0.31 -0.37 -0.60 1.70 -1.26 -5.11 118.95 119.60 2b8a s ARG 6 Ca 0.63 0.81 0.02 0.00 -0.47 0.00 0.00 55.73 56.71 2b8a s ARG 6 Cb -0.02 0.05 0.15 0.00 -0.57 0.00 0.00 34.95 34.56 2b8a s ARG 6 CO 0.04 -0.20 0.31 -1.14 -1.08 0.00 0.00 175.30 173.24 2b8a s GLN 7 N 1.81 0.63 0.50 3.89 0.74 -1.26 -5.14 119.66 120.83 2b8a s GLN 7 Ca -0.06 -1.17 -0.04 0.00 0.05 0.00 0.00 55.36 54.14 2b8a s GLN 7 Cb -0.10 -1.01 -0.02 0.00 1.10 0.00 0.00 33.01 32.99 2b8a s GLN 7 CO -0.12 -1.22 0.79 0.21 -0.55 0.00 0.00 175.29 174.40 2b8a s LYS 8 N 1.15 3.26 -0.16 1.67 2.20 -1.26 -5.11 119.74 121.49 2b8a s LYS 8 Ca 0.19 -0.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.60 2b8a s LYS 8 Cb -0.17 -2.39 0.05 0.00 -1.51 0.00 0.00 37.83 33.81 2b8a s LYS 8 CO -0.02 -0.35 0.52 -1.21 -0.36 0.00 0.00 175.35 173.92 2b8a s GLU 9 N -4.76 0.66 0.27 4.03 2.02 -1.26 -5.12 118.70 114.54 2b8a s GLU 9 Ca 0.49 0.58 0.10 0.00 0.02 0.00 0.00 54.97 56.16 2b8a s GLU 9 Cb -0.10 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.40 2b8a s GLU 9 CO 0.43 -0.11 -0.05 0.71 0.02 0.00 0.00 175.26 176.26 2b8a s TYR 10 N -0.05 2.60 0.09 1.61 2.02 -1.26 -5.15 117.35 117.21 2b8a s TYR 10 Ca -0.03 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2b8a s TYR 10 Cb -0.03 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 2b8a s TYR 10 CO 0.02 0.64 -0.06 0.15 -1.57 0.00 0.00 175.55 174.73 2b8a s LYS 11 N -3.64 0.80 0.06 -0.62 -0.14 -1.26 -5.01 119.74 109.93 2b8a s LYS 11 Ca 0.31 -1.29 -0.35 0.00 -1.36 0.00 0.00 55.97 53.28 2b8a s LYS 11 Cb -0.06 -0.18 -0.14 0.00 -1.68 0.00 0.00 37.83 35.77 2b8a s LYS 11 CO 0.19 -0.02 1.60 0.00 -0.76 0.00 0.00 175.35 176.36 2b8a n GLY 13 N 3.49 1.70 3.76 0.00 0.00 0.33 -4.96 105.19 109.52 2b8a n GLY 13 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2b8a n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b8a s ASP 14 N -1.55 6.91 -0.30 1.61 1.11 -0.46 -4.73 116.67 119.25 2b8a s ASP 14 Ca 0.00 2.54 -0.19 0.00 0.18 0.00 0.00 52.55 55.08 2b8a s ASP 14 Cb 0.00 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 2b8a s ASP 14 CO 0.00 -0.45 0.55 -0.76 1.18 0.00 0.00 175.17 175.69 2b8a s LEU 15 N -1.36 4.16 0.22 1.23 1.43 -1.26 -1.19 118.68 121.92 2b8a s LEU 15 Ca 0.50 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2b8a s LEU 15 Cb -0.37 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2b8a s LEU 15 CO 0.47 -0.40 0.18 0.68 0.23 0.00 0.00 176.35 177.51 2b8a s VAL 16 N 2.43 0.00 -0.09 -1.59 -7.23 0.10 -2.18 120.40 111.83 2b8a s VAL 16 Ca 0.21 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2b8a s VAL 16 Cb -0.15 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2b8a s VAL 16 CO 0.11 0.00 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.47 2b8a s PHE 17 N -4.04 2.93 -0.18 2.82 0.08 0.05 -0.36 117.98 119.28 2b8a s PHE 17 Ca 0.38 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 2b8a s PHE 17 Cb 0.06 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2b8a s PHE 17 CO 0.14 0.22 -0.06 0.00 -0.10 0.00 0.00 175.22 175.42 2b8a s ALA 18 N -0.50 2.83 -0.04 5.36 0.00 -1.02 -1.23 121.76 127.15 2b8a s ALA 18 Ca 0.07 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2b8a s ALA 18 Cb -0.12 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 2b8a s ALA 18 CO 0.02 -0.10 0.53 0.21 0.00 0.00 0.00 175.76 176.42 2b8a s LYS 19 N 0.92 4.26 0.09 0.00 2.47 0.07 -1.80 119.74 125.75 2b8a s LYS 19 Ca -0.01 0.60 0.06 0.00 -1.56 0.00 0.00 55.97 55.06 2b8a s LYS 19 Cb -0.15 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 2b8a s LYS 19 CO 0.01 0.36 -0.15 -1.64 0.16 0.00 0.00 175.35 174.09 2b8a s MET 20 N -0.10 0.92 -0.03 4.03 -1.94 -1.24 -4.91 119.30 116.03 2b8a s MET 20 Ca 0.28 -1.08 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 2b8a s MET 20 Cb -0.17 -0.89 -0.06 0.00 2.01 0.00 0.00 34.83 35.72 2b8a s MET 20 CO 0.15 0.19 1.53 0.21 -0.01 0.00 0.00 175.02 177.08 2b8a s LYS 21 N -2.13 4.22 0.00 2.03 2.20 -1.26 -2.10 119.74 122.71 2b8a s LYS 21 Ca 0.03 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 2b8a s LYS 21 Cb -0.08 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2b8a s LYS 21 CO 0.03 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 2b8a n GLY 22 N 3.89 1.02 3.02 5.54 0.00 -1.26 -5.03 105.19 112.37 2b8a n GLY 22 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2b8a n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b8a s TYR 23 N -3.09 0.38 0.62 1.61 2.02 -0.89 -5.13 117.35 112.87 2b8a s TYR 23 Ca 0.00 -0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 55.97 2b8a s TYR 23 Cb 0.00 -0.27 0.00 0.00 -0.40 0.00 0.00 41.96 41.29 2b8a s TYR 23 CO 0.00 -0.22 0.96 -1.25 -1.57 0.00 0.00 175.55 173.47 2b8a s PRO 24 N -2.08 3.02 -0.34 -1.71 0.04 -1.26 -3.67 135.00 129.00 2b8a s PRO 24 Ca -0.09 0.23 -0.41 0.00 0.04 0.00 0.00 61.00 60.77 2b8a s PRO 24 Cb -0.06 -2.19 -0.16 0.00 0.04 0.00 0.00 34.50 32.14 2b8a s PRO 24 CO -0.03 -0.74 1.84 0.72 0.04 0.00 0.00 177.00 178.83 2b8a n HIS 25 N -2.70 1.86 -3.78 0.56 8.25 -1.26 -4.63 115.22 113.53 2b8a n HIS 25 Ca 0.05 0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 57.75 2b8a n HIS 25 Cb 0.57 -2.43 -0.09 0.00 1.12 0.00 0.00 29.99 29.16 2b8a n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2b8a s TRP 26 N 4.33 3.33 -0.17 4.41 -0.11 -0.75 -4.85 118.94 125.14 2b8a s TRP 26 Ca 1.03 0.21 -0.36 0.00 1.22 0.00 0.00 56.10 58.20 2b8a s TRP 26 Cb -1.14 -2.18 -0.13 0.00 -1.50 0.00 0.00 33.47 28.52 2b8a s TRP 26 CO 0.65 0.16 1.86 -0.35 -4.62 0.00 0.00 176.95 174.65 2b8a n PRO 27 N 3.82 1.78 -4.16 5.86 -0.04 -1.26 -2.44 135.00 138.55 2b8a n PRO 27 Ca -0.16 0.65 -0.16 0.00 -0.04 0.00 0.00 63.50 63.79 2b8a n PRO 27 Cb 0.52 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 2b8a n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b8a s ALA 28 N 4.10 1.12 0.05 0.55 0.00 0.51 -2.41 121.76 125.68 2b8a s ALA 28 Ca 0.96 -1.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2b8a s ALA 28 Cb -0.83 1.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2b8a s ALA 28 CO 0.56 -0.73 0.08 0.50 0.00 0.00 0.00 175.76 176.17 2b8a s ARG 29 N -3.36 0.62 0.19 0.00 3.52 -0.90 -0.72 118.95 118.31 2b8a s ARG 29 Ca 0.34 -0.89 -0.26 0.00 -0.13 0.00 0.00 55.73 54.79 2b8a s ARG 29 Cb 0.01 0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.56 2b8a s ARG 29 CO 0.21 -0.15 0.82 0.42 -0.81 0.00 0.00 175.30 175.79 2b8a s ILE 30 N -3.07 4.29 0.00 4.11 -1.09 -0.33 -0.92 121.20 124.19 2b8a s ILE 30 Ca -0.01 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 2b8a s ILE 30 Cb 0.02 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2b8a s ILE 30 CO -0.07 0.49 0.00 0.47 -1.23 0.00 0.00 174.94 174.61 2b8a n ASP 31 N 1.50 3.99 -3.53 3.58 9.92 -0.58 -0.51 116.55 130.91 2b8a n ASP 31 Ca -0.04 -0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 54.05 2b8a n ASP 31 Cb 0.48 0.85 -0.05 0.00 -0.64 0.00 0.00 41.12 41.76 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2b8a s GLU 32 N -1.65 0.90 0.52 -1.24 2.12 -1.25 -4.88 118.70 113.22 2b8a s GLU 32 Ca 0.00 0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.46 2b8a s GLU 32 Cb 0.00 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.83 2b8a s GLU 32 CO 0.00 -0.30 0.76 -1.64 -0.54 0.00 0.00 175.26 173.54 2b8a s MET 33 N -1.48 2.78 0.48 4.30 -1.94 -1.26 -3.66 119.30 118.52 2b8a s MET 33 Ca -0.06 -0.54 -0.23 0.00 -1.71 0.00 0.00 55.69 53.15 2b8a s MET 33 Cb -0.00 -2.47 -0.07 0.00 2.01 0.00 0.00 34.83 34.30 2b8a s MET 33 CO 0.04 -0.56 1.24 -2.14 -0.01 0.00 0.00 175.02 173.59 2b8a s PRO 34 N -4.73 3.62 0.00 2.03 0.02 -1.26 -4.91 135.00 129.76 2b8a s PRO 34 Ca 0.53 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2b8a s PRO 34 Cb -0.10 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 32.00 2b8a s PRO 34 CO 0.39 -0.72 0.47 0.39 -0.33 0.00 0.00 177.00 177.20 2b8a n GLU 35 N -0.54 0.00 0.09 5.54 1.02 -1.26 -5.01 120.64 120.48 2b8a n GLU 35 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2b8a n GLU 35 Cb 0.46 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b8a n ALA 36 N -0.56 0.00 -1.78 0.62 0.00 -1.26 -5.00 120.51 112.53 2b8a n ALA 36 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2b8a n ALA 36 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2b8a n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b8a n ALA 37 N -2.88 1.82 -2.07 0.00 0.00 -1.26 -5.03 120.51 111.09 2b8a n ALA 37 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 2b8a n ALA 37 Cb 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 19.45 19.29 2b8a n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2b8a s VAL 38 N 0.00 3.03 0.00 0.00 -7.23 -1.26 -4.95 120.40 109.99 2b8a s VAL 38 Ca 0.00 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 2b8a s VAL 38 Cb 0.00 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.79 2b8a s VAL 38 CO 0.00 -0.11 0.00 2.29 -0.31 0.00 0.00 175.10 176.97 2b8a n LYS 39 N -2.34 0.00 -1.80 4.82 2.85 -1.26 -3.13 118.16 117.30 2b8a n LYS 39 Ca 0.06 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.97 2b8a n LYS 39 Cb 0.59 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.94 2b8a n LYS 39 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2b8a n SER 40 N -3.92 7.42 -3.82 -5.58 2.88 -1.26 -4.81 113.62 104.53 2b8a n SER 40 Ca 0.00 -3.17 -0.30 0.00 -1.33 0.00 0.00 58.87 54.07 2b8a n SER 40 Cb 0.00 -1.31 -0.14 0.00 -0.75 0.00 0.00 64.21 62.01 2b8a n SER 40 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2b8a s THR 41 N -1.60 1.60 -0.01 2.46 -4.23 -1.18 -5.00 115.64 107.68 2b8a s THR 41 Ca 0.56 -2.24 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 2b8a s THR 41 Cb 0.26 -2.16 -0.07 0.00 1.34 0.00 0.00 72.50 71.88 2b8a s THR 41 CO -0.14 -0.74 0.74 0.00 -0.54 0.00 0.00 174.62 173.94 2b8a h ALA 42 N 7.35 -0.68 -0.49 3.99 0.00 -1.87 -3.43 119.26 124.13 2b8a h ALA 42 Ca -0.07 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 2b8a h ALA 42 Cb 0.97 0.18 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 2b8a h ALA 42 CO 0.51 -0.64 -0.64 0.09 0.00 0.00 0.00 179.25 178.57 2b8a n ASN 43 N -3.98 -1.20 -4.98 0.00 3.02 -1.26 -4.93 115.26 101.94 2b8a n ASN 43 Ca -0.06 -3.12 -0.21 0.00 -0.03 0.00 0.00 54.58 51.16 2b8a n ASN 43 Cb 0.18 0.93 0.03 0.00 -0.61 0.00 0.00 39.78 40.30 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2b8a s LYS 44 N -0.64 2.38 0.10 3.52 -0.14 -1.26 -4.00 119.74 119.70 2b8a s LYS 44 Ca 0.26 -1.69 -0.11 0.00 -1.36 0.00 0.00 55.97 53.07 2b8a s LYS 44 Cb 0.35 -2.47 0.01 0.00 -1.68 0.00 0.00 37.83 34.04 2b8a s LYS 44 CO -0.06 -0.64 0.27 0.71 -0.76 0.00 0.00 175.35 174.87 2b8a s TYR 45 N -2.64 0.01 -0.52 3.18 1.51 0.29 -4.08 117.35 115.11 2b8a s TYR 45 Ca 0.52 -0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 55.98 2b8a s TYR 45 Cb -0.05 0.06 0.06 0.00 -0.11 0.00 0.00 41.96 41.92 2b8a s TYR 45 CO 0.32 -0.60 0.68 -0.65 -1.11 0.00 0.00 175.55 174.19 2b8a s GLN 46 N -3.78 3.15 0.02 -0.62 -0.21 -1.24 -2.10 119.66 114.88 2b8a s GLN 46 Ca 0.04 -0.81 -0.00 0.00 0.02 0.00 0.00 55.36 54.60 2b8a s GLN 46 Cb 0.04 -4.10 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 2b8a s GLN 46 CO -0.11 -1.27 0.12 0.14 -2.12 0.00 0.00 175.29 172.05 2b8a s VAL 47 N 2.83 4.95 -0.23 1.09 -7.23 -0.63 -1.53 120.40 119.65 2b8a s VAL 47 Ca 0.17 -0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.86 2b8a s VAL 47 Cb -0.18 -3.31 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 2b8a s VAL 47 CO 0.13 0.28 0.10 0.12 -0.31 0.00 0.00 175.10 175.42 2b8a s PHE 48 N -1.29 3.17 -0.51 2.82 5.36 -0.10 -2.49 117.98 124.94 2b8a s PHE 48 Ca 0.26 -0.12 -0.19 0.00 -0.96 0.00 0.00 56.93 55.92 2b8a s PHE 48 Cb -0.12 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.40 2b8a s PHE 48 CO 0.18 -0.13 0.65 -0.06 -1.46 0.00 0.00 175.22 174.40 2b8a s PHE 49 N 1.22 3.03 1.30 10.12 0.08 0.16 -2.11 117.98 131.78 2b8a s PHE 49 Ca 0.05 -0.52 -0.20 0.00 0.12 0.00 0.00 56.93 56.38 2b8a s PHE 49 Cb -0.14 -3.59 0.31 0.00 -0.57 0.00 0.00 43.02 39.02 2b8a s PHE 49 CO 0.04 -1.07 0.70 1.19 -0.10 0.00 0.00 175.22 175.99 2b8a n PHE 50 N 6.26 -3.10 0.00 0.36 3.72 -1.01 0.02 117.46 123.71 2b8a n PHE 50 Ca -0.06 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2b8a n PHE 50 Cb 0.45 -1.39 0.00 0.00 -0.94 0.00 0.00 39.48 37.61 2b8a n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8a n GLY 51 N 2.01 0.91 0.10 1.37 0.00 -1.25 -3.54 105.19 104.78 2b8a n GLY 51 Ca 0.10 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2b8a n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b8a n THR 52 N 0.00 0.74 -2.71 2.61 -2.24 -1.23 -4.80 114.28 106.64 2b8a n THR 52 Ca 0.00 -0.59 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 2b8a n THR 52 Cb 0.00 -0.43 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 2b8a n THR 52 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2b8a n HIS 53 N -2.70 -1.31 -3.54 4.78 -0.00 0.10 -5.01 115.22 107.54 2b8a n HIS 53 Ca -0.04 0.31 -0.25 0.00 -0.00 0.00 0.00 57.72 57.73 2b8a n HIS 53 Cb 0.65 -3.53 -0.02 0.00 -0.00 0.00 0.00 29.99 27.09 2b8a n HIS 53 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2b8a s GLU 54 N -5.27 3.51 0.06 -0.41 2.02 -0.92 -4.84 118.70 112.86 2b8a s GLU 54 Ca 0.18 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.89 2b8a s GLU 54 Cb -0.08 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 2b8a s GLU 54 CO 0.22 0.27 -0.15 -0.08 0.02 0.00 0.00 175.26 175.55 2b8a s THR 55 N -2.09 1.19 0.27 3.63 -1.32 -1.26 0.37 115.64 116.43 2b8a s THR 55 Ca 0.39 -1.24 -0.16 0.00 -1.21 0.00 0.00 61.69 59.47 2b8a s THR 55 Cb -0.10 -1.11 0.01 0.00 -1.51 0.00 0.00 72.50 69.78 2b8a s THR 55 CO 0.32 -0.13 0.60 0.00 -2.21 0.00 0.00 174.62 173.19 2b8a s ALA 56 N -1.13 -0.64 -0.21 11.08 0.00 -1.04 -5.00 121.76 124.83 2b8a s ALA 56 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 2b8a s ALA 56 Cb -0.09 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 2b8a s ALA 56 CO 0.02 -0.94 0.01 -0.06 0.00 0.00 0.00 175.76 174.79 2b8a s PHE 57 N -3.85 3.05 0.09 0.00 0.40 -1.26 -1.60 117.98 114.81 2b8a s PHE 57 Ca 0.18 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 2b8a s PHE 57 Cb -0.03 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 2b8a s PHE 57 CO 0.09 -0.25 -0.01 -0.51 0.70 0.00 0.00 175.22 175.24 2b8a s LEU 58 N 1.06 2.28 0.73 -0.37 1.43 -0.89 -4.85 118.68 118.07 2b8a s LEU 58 Ca 0.02 -1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.03 2b8a s LEU 58 Cb -0.14 0.14 0.12 0.00 0.03 0.00 0.00 46.19 46.34 2b8a s LEU 58 CO 0.02 -0.60 1.01 -0.83 0.23 0.00 0.00 176.35 176.18 2b8a s GLY 59 N -3.00 1.76 0.44 -3.19 0.00 -1.26 -0.55 107.32 101.52 2b8a s GLY 59 Ca 0.14 -1.56 0.22 0.00 0.00 0.00 0.00 44.72 43.52 2b8a s GLY 59 CO -0.05 -1.01 1.87 -2.55 0.00 0.00 0.00 173.10 171.36 2b8a h PRO 60 N -0.60 0.00 0.00 2.90 0.11 -1.92 -2.47 132.00 130.02 2b8a h PRO 60 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2b8a h PRO 60 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2b8a h PRO 60 CO 0.43 0.26 -0.10 0.87 -0.21 0.00 0.00 178.00 179.25 2b8a h LYS 61 N 0.00 0.00 -0.19 1.05 1.57 -1.94 -2.15 116.57 114.92 2b8a h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b8a h LYS 61 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2b8a h LYS 61 CO 0.03 0.10 0.00 -0.25 -0.57 0.00 0.00 179.45 178.76 2b8a n ASP 62 N -3.28 3.20 -4.56 0.86 9.92 -0.94 -4.91 116.55 116.83 2b8a n ASP 62 Ca -0.00 -1.99 -0.34 0.00 -0.53 0.00 0.00 54.79 51.93 2b8a n ASP 62 Cb 0.32 -0.11 -0.12 0.00 -0.64 0.00 0.00 41.12 40.57 2b8a n ASP 62 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2b8a s LEU 63 N -1.77 3.10 0.10 0.64 1.43 -0.81 -0.75 118.68 120.62 2b8a s LEU 63 Ca 0.32 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2b8a s LEU 63 Cb 0.21 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2b8a s LEU 63 CO 0.31 0.35 -0.05 -0.36 0.23 0.00 0.00 176.35 176.82 2b8a s PHE 64 N -0.72 0.85 -0.25 0.29 0.40 -0.37 -4.92 117.98 113.25 2b8a s PHE 64 Ca 0.11 -0.96 -0.29 0.00 -0.60 0.00 0.00 56.93 55.19 2b8a s PHE 64 Cb -0.11 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 2b8a s PHE 64 CO 0.01 -0.21 1.77 -2.14 0.70 0.00 0.00 175.22 175.35 2b8a s PRO 65 N -3.86 3.56 0.09 0.24 0.02 -1.26 -0.77 135.00 133.02 2b8a s PRO 65 Ca 0.12 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 2b8a s PRO 65 Cb 0.06 -4.14 -0.12 0.00 0.02 0.00 0.00 34.50 30.32 2b8a s PRO 65 CO -0.05 -1.58 1.48 -0.92 -0.33 0.00 0.00 177.00 175.59 2b8a h TYR 66 N 12.00 -1.36 -0.99 6.54 3.20 -1.73 0.32 116.97 134.95 2b8a h TYR 66 Ca -0.35 0.04 0.18 0.00 3.14 0.00 0.00 58.73 61.74 2b8a h TYR 66 Cb 1.17 0.59 -0.10 0.00 1.54 0.00 0.00 36.73 39.93 2b8a h TYR 66 CO 0.94 -0.50 0.62 0.93 -1.64 0.00 0.00 178.16 178.50 2b8a h GLU 67 N -0.59 0.74 -0.27 1.82 4.39 -1.91 2.01 114.58 120.76 2b8a h GLU 67 Ca 0.01 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 2b8a h GLU 67 Cb 0.63 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2b8a h GLU 67 CO -0.30 0.49 -0.56 1.49 -1.16 0.00 0.00 179.01 178.97 2b8a h GLU 68 N 0.76 0.82 -0.53 2.33 4.22 -1.76 -3.25 114.58 117.17 2b8a h GLU 68 Ca 0.56 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2b8a h GLU 68 Cb 0.87 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2b8a h GLU 68 CO -0.34 1.16 0.00 0.43 -2.18 0.00 0.00 179.01 178.08 2b8a n SER 69 N -3.99 3.56 -0.11 1.04 7.64 0.11 -4.60 113.62 117.25 2b8a n SER 69 Ca -0.04 -2.08 -0.05 0.00 1.01 0.00 0.00 58.87 57.70 2b8a n SER 69 Cb 0.63 -0.38 0.03 0.00 -1.01 0.00 0.00 64.21 63.48 2b8a n SER 69 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2b8a h LYS 70 N 3.12 0.16 0.00 1.43 3.64 0.31 0.61 116.57 125.84 2b8a h LYS 70 Ca 0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2b8a h LYS 70 Cb 0.93 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2b8a h LYS 70 CO 0.03 0.11 -0.43 0.93 -2.27 0.00 0.00 179.45 177.82 2b8a h GLU 71 N 0.17 0.00 0.08 1.90 3.07 -1.82 1.06 114.58 119.05 2b8a h GLU 71 Ca 0.19 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 2b8a h GLU 71 Cb 0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2b8a h GLU 71 CO -0.27 0.43 -0.95 0.87 -1.40 0.00 0.00 179.01 177.69 2b8a h LYS 72 N 0.00 0.18 0.00 2.33 1.57 -1.66 -3.38 116.57 115.60 2b8a h LYS 72 Ca -0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2b8a h LYS 72 Cb 0.77 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2b8a h LYS 72 CO 0.06 1.14 -1.10 1.19 -0.57 0.00 0.00 179.45 180.17 2b8a n PHE 73 N -4.18 0.04 -2.24 -1.35 3.72 0.21 -4.70 117.46 108.95 2b8a n PHE 73 Ca -0.20 0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 56.79 2b8a n PHE 73 Cb 0.77 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2b8a n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8a n GLY 74 N 1.44 4.14 3.27 1.37 0.00 0.37 -4.86 105.19 110.92 2b8a n GLY 74 Ca 0.03 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 2b8a n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b8a s LYS 75 N 2.10 0.54 0.91 1.61 1.02 -1.26 -4.82 119.74 119.83 2b8a s LYS 75 Ca 0.45 0.30 -0.15 0.00 0.02 0.00 0.00 55.97 56.59 2b8a s LYS 75 Cb 0.09 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 2b8a s LYS 75 CO -0.02 -0.10 0.07 -2.30 -0.92 0.00 0.00 175.35 172.07 2b8a n PRO 76 N 2.30 -0.10 -4.25 -1.68 -0.02 -1.26 -4.81 135.00 125.18 2b8a n PRO 76 Ca -0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.17 2b8a n PRO 76 Cb 0.57 -1.58 -0.10 0.00 -0.02 0.00 0.00 33.50 32.37 2b8a n PRO 76 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2b8a s ASN 77 N -1.60 0.72 0.19 2.55 0.01 -1.26 -4.97 114.94 110.58 2b8a s ASN 77 Ca 0.54 -1.47 0.24 0.00 -0.71 0.00 0.00 52.86 51.45 2b8a s ASN 77 Cb -0.24 0.38 0.29 0.00 0.41 0.00 0.00 41.25 42.09 2b8a s ASN 77 CO 0.70 -0.87 1.31 0.11 -1.51 0.00 0.00 177.10 176.85 2b8a h LYS 78 N 2.46 0.00 0.00 -0.60 1.79 -2.04 -3.28 116.57 114.89 2b8a h LYS 78 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2b8a h LYS 78 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2b8a h LYS 78 CO 0.51 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.42 2b8a n ARG 79 N -2.39 0.15 -1.18 3.15 5.12 -1.26 -4.97 116.66 115.28 2b8a n ARG 79 Ca 0.03 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 2b8a n ARG 79 Cb 0.48 -1.84 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 2b8a n ARG 79 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2b8a n LYS 80 N -2.13 -3.37 0.00 5.56 4.76 -1.24 -4.80 118.16 116.94 2b8a n LYS 80 Ca 0.01 2.52 0.00 0.00 -2.87 0.00 0.00 58.31 57.97 2b8a n LYS 80 Cb 0.15 -2.87 0.00 0.00 -1.84 0.00 0.00 35.03 30.47 2b8a n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b8a n GLY 81 N -1.09 2.71 0.23 0.72 0.00 -1.26 -4.90 105.19 101.59 2b8a n GLY 81 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2b8a n GLY 81 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2b8a h PHE 82 N 0.00 -0.48 -0.51 1.61 3.04 -1.88 -2.88 116.94 115.83 2b8a h PHE 82 Ca 0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 2b8a h PHE 82 Cb 0.00 0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.60 2b8a h PHE 82 CO 0.00 -0.30 0.13 0.66 -2.02 0.00 0.00 178.31 176.78 2b8a h SER 83 N -0.51 0.06 -1.11 0.41 4.64 -1.90 0.81 113.55 115.94 2b8a h SER 83 Ca -0.05 0.08 0.32 0.00 -0.47 0.00 0.00 61.79 61.67 2b8a h SER 83 Cb 0.40 0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 2b8a h SER 83 CO 0.07 0.06 0.78 -0.08 -0.87 0.00 0.00 176.83 176.79 2b8a h GLU 84 N 0.27 0.08 -0.06 4.77 4.57 -1.89 0.90 114.58 123.22 2b8a h GLU 84 Ca 0.26 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.29 2b8a h GLU 84 Cb 0.33 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2b8a h GLU 84 CO -0.31 0.05 -0.61 0.78 -1.18 0.00 0.00 179.01 177.73 2b8a h GLY 85 N 0.08 0.23 1.00 1.92 0.00 -0.68 -2.87 103.07 102.75 2b8a h GLY 85 Ca 0.55 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2b8a h GLY 85 CO -0.07 0.25 0.37 1.41 0.00 0.00 0.00 176.54 178.51 2b8a h LEU 86 N 0.15 0.73 -0.39 3.11 -0.00 0.97 -0.94 115.31 118.94 2b8a h LEU 86 Ca -0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 2b8a h LEU 86 Cb 1.12 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2b8a h LEU 86 CO 0.09 0.57 0.05 -0.25 -0.00 0.00 0.00 178.44 178.90 2b8a h TRP 87 N 0.82 0.70 0.25 1.13 7.01 -1.46 -3.06 115.95 121.34 2b8a h TRP 87 Ca 0.22 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2b8a h TRP 87 Cb -0.03 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2b8a h TRP 87 CO -0.02 0.70 -0.12 0.93 -2.79 0.00 0.00 178.44 177.14 2b8a h GLU 88 N 0.49 -0.33 -0.48 2.65 4.39 -1.27 0.97 114.58 121.00 2b8a h GLU 88 Ca 0.12 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.98 2b8a h GLU 88 Cb 0.39 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2b8a h GLU 88 CO 0.01 -0.09 0.47 0.97 -1.16 0.00 0.00 179.01 179.20 2b8a h ILE 89 N -0.52 0.43 0.01 3.13 2.10 -1.23 1.12 117.51 122.55 2b8a h ILE 89 Ca -0.03 0.00 -0.41 0.00 1.08 0.00 0.00 64.86 65.49 2b8a h ILE 89 Cb 0.38 0.64 -0.06 0.00 -1.09 0.00 0.00 36.82 36.69 2b8a h ILE 89 CO 0.06 0.00 -2.41 1.21 -1.08 0.00 0.00 178.15 175.93 2b8a n GLU 90 N -3.84 0.63 0.07 2.19 2.13 -1.05 -4.20 120.64 116.57 2b8a n GLU 90 Ca 0.09 0.23 -0.12 0.00 0.66 0.00 0.00 57.16 58.02 2b8a n GLU 90 Cb 0.67 -1.53 -0.13 0.00 0.27 0.00 0.00 31.44 30.71 2b8a n GLU 90 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2b8a h ASN 91 N -0.46 0.21 -1.26 4.31 2.35 0.13 -3.43 115.58 117.43 2b8a h ASN 91 Ca -0.61 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 54.76 2b8a h ASN 91 Cb 1.76 -0.07 -0.22 0.00 0.05 0.00 0.00 38.32 39.84 2b8a h ASN 91 CO -0.22 1.19 -0.51 0.21 -1.65 0.00 0.00 177.43 176.45 2b8a s ASN 92 N -6.87 -0.80 0.05 5.81 2.47 0.38 -5.00 114.94 110.99 2b8a s ASN 92 Ca -0.03 -0.92 0.24 0.00 0.42 0.00 0.00 52.86 52.58 2b8a s ASN 92 Cb 0.08 1.59 0.99 0.00 -1.45 0.00 0.00 41.25 42.47 2b8a s ASN 92 CO 0.85 -0.21 1.77 -0.81 -3.72 0.00 0.00 177.10 174.98 2b8a n PRO 93 N 4.46 0.05 -0.35 0.43 -0.04 -1.07 -2.97 135.00 135.52 2b8a n PRO 93 Ca 0.10 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 2b8a n PRO 93 Cb 0.54 -1.57 0.24 0.00 -0.04 0.00 0.00 33.50 32.67 2b8a n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2b8a n THR 94 N -1.66 1.39 -1.74 0.52 -2.24 -1.26 -4.99 114.28 104.30 2b8a n THR 94 Ca 0.05 -1.18 -0.38 0.00 -2.27 0.00 0.00 64.05 60.28 2b8a n THR 94 Cb 0.30 0.30 0.06 0.00 -2.10 0.00 0.00 70.33 68.89 2b8a n THR 94 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2b8a n VAL 95 N 0.68 4.53 -1.30 2.28 3.14 -1.16 -4.75 118.33 121.75 2b8a n VAL 95 Ca 0.18 -0.50 0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2b8a n VAL 95 Cb 0.64 -1.57 -0.09 0.00 -1.06 0.00 0.00 33.84 31.76 2b8a n VAL 95 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2b8a n LYS 96 N -1.55 -3.03 -2.88 1.45 4.76 -1.26 -5.07 118.16 110.58 2b8a n LYS 96 Ca 0.14 2.49 -0.08 0.00 -2.87 0.00 0.00 58.31 57.98 2b8a n LYS 96 Cb 0.47 -3.53 -0.02 0.00 -1.84 0.00 0.00 35.03 30.10 2b8a n LYS 96 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b8a n ALA 97 N -4.10 -0.07 -0.06 7.82 0.00 -1.26 -5.06 120.51 117.79 2b8a n ALA 97 Ca -0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 2b8a n ALA 97 Cb 0.62 0.70 0.02 0.00 0.00 0.00 0.00 19.45 20.79 2b8a n ALA 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2b8a h SER 98 N 1.02 0.82 -5.00 0.00 4.64 -2.00 -3.49 113.55 109.54 2b8a h SER 98 Ca -0.14 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2b8a h SER 98 Cb 0.61 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2b8a h SER 98 CO 0.19 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 2b8a n GLY 99 N 0.20 3.35 3.46 -0.77 0.00 -1.26 -5.12 105.19 105.05 2b8a n GLY 99 Ca -0.03 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 2b8a n GLY 99 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b8a s TYR 100 N -2.13 2.38 -0.47 1.61 6.14 -1.26 -5.10 117.35 118.52 2b8a s TYR 100 Ca 0.00 -0.32 -0.17 0.00 0.64 0.00 0.00 57.07 57.21 2b8a s TYR 100 Cb 0.00 -1.17 0.05 0.00 0.42 0.00 0.00 41.96 41.26 2b8a s TYR 100 CO 0.00 0.51 0.50 -0.65 0.64 0.00 0.00 175.55 176.54 2b8a s GLN 101 N -2.72 3.07 -0.07 4.97 -0.21 -1.26 -5.05 119.66 118.39 2b8a s GLN 101 Ca 0.22 -0.97 -0.25 0.00 0.02 0.00 0.00 55.36 54.38 2b8a s GLN 101 Cb -0.08 -4.06 -0.03 0.00 1.00 0.00 0.00 33.01 29.83 2b8a s GLN 101 CO 0.11 -1.04 0.77 -1.12 -2.12 0.00 0.00 175.29 171.89 2b8a s SER 102 N 2.36 7.04 -0.01 5.90 0.01 -1.26 -4.68 113.70 123.06 2b8a s SER 102 Ca 0.11 1.26 -0.02 0.00 1.31 0.00 0.00 55.95 58.61 2b8a s SER 102 Cb -0.20 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.59 2b8a s SER 102 CO 0.11 -0.18 0.04 -1.20 0.41 0.00 0.00 173.24 172.42 2b8a n SER 103 N 4.02 -8.01 -0.05 2.44 7.64 -1.26 -5.02 113.62 113.39 2b8a n SER 103 Ca 0.01 1.74 -0.07 0.00 1.01 0.00 0.00 58.87 61.55 2b8a n SER 103 Cb 0.51 -5.10 -0.04 0.00 -1.01 0.00 0.00 64.21 58.56 2b8a n SER 103 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2b8a n GLN 104 N 1.76 0.23 -0.10 1.43 7.27 -1.26 -4.82 117.38 121.88 2b8a n GLN 104 Ca -0.06 0.06 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 2b8a n GLN 104 Cb 0.10 -1.12 -0.11 0.00 2.41 0.00 0.00 30.24 31.52 2b8a n GLN 104 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2b8a n LYS 105 N -2.92 0.70 -3.56 3.69 2.85 -1.26 -5.06 118.16 112.61 2b8a n LYS 105 Ca -0.17 0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.07 2b8a n LYS 105 Cb 0.67 -1.44 -0.04 0.00 -0.65 0.00 0.00 35.03 33.57 2b8a n LYS 105 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2b8a s LYS 106 N -2.44 1.13 0.25 -1.58 1.02 -1.26 -5.18 119.74 111.68 2b8a s LYS 106 Ca -0.25 -0.57 0.12 0.00 0.02 0.00 0.00 55.97 55.29 2b8a s LYS 106 Cb 0.07 0.51 -0.05 0.00 -0.52 0.00 0.00 37.83 37.84 2b8a s LYS 106 CO 0.56 -0.46 -0.21 -1.12 -0.92 0.00 0.00 175.35 173.20 2b8a s SER 107 N -2.68 3.52 0.00 2.83 0.01 -1.26 -4.65 113.70 111.47 2b8a s SER 107 Ca 0.01 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2b8a s SER 107 Cb 0.01 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2b8a s SER 107 CO -0.11 0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.60 2b8a h ALA 109 N 0.00 -0.04 0.00 0.00 0.00 -2.06 -3.56 119.26 113.61 2b8a h ALA 109 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2b8a h ALA 109 Cb 0.96 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2b8a h ALA 109 CO 0.00 0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.89