#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8a n SER 2 N 0.00 0.04 -2.48 6.12 2.88 -1.26 -5.14 113.62 113.79 2b8a n SER 2 Ca 0.00 0.08 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2b8a n SER 2 Cb 0.00 0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2b8a n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2b8a n ARG 3 N -2.83 1.27 -2.55 -1.46 5.12 -1.26 -5.17 116.66 109.79 2b8a n ARG 3 Ca 0.00 -1.02 -0.15 0.00 -1.93 0.00 0.00 57.85 54.75 2b8a n ARG 3 Cb 0.13 0.40 0.04 0.00 -1.16 0.00 0.00 32.46 31.87 2b8a n ARG 3 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2b8a n SER 4 N -1.47 1.65 0.08 0.55 2.88 -1.26 -5.08 113.62 110.97 2b8a n SER 4 Ca -0.04 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.33 2b8a n SER 4 Cb 0.18 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2b8a n SER 4 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2b8a n ASN 5 N -2.43 -0.39 -0.29 -3.46 5.15 -1.26 -4.95 115.26 107.63 2b8a n ASN 5 Ca 0.11 0.28 0.08 0.00 -0.60 0.00 0.00 54.58 54.45 2b8a n ASN 5 Cb 0.45 0.51 0.15 0.00 -0.53 0.00 0.00 39.78 40.35 2b8a n ASN 5 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2b8a n ARG 6 N -3.00 1.24 -3.91 1.20 5.12 -1.26 -4.95 116.66 111.10 2b8a n ARG 6 Ca 0.00 -2.65 -0.30 0.00 -1.93 0.00 0.00 57.85 52.97 2b8a n ARG 6 Cb 0.00 -1.42 -0.15 0.00 -1.16 0.00 0.00 32.46 29.73 2b8a n ARG 6 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2b8a s GLN 7 N -2.69 1.36 0.29 5.56 2.00 -1.26 -5.11 119.66 119.82 2b8a s GLN 7 Ca 0.31 -1.20 0.04 0.00 -2.00 0.00 0.00 55.36 52.52 2b8a s GLN 7 Cb 0.29 -2.58 -0.03 0.00 0.80 0.00 0.00 33.01 31.49 2b8a s GLN 7 CO -0.01 -0.76 0.25 -1.59 -0.50 0.00 0.00 175.29 172.68 2b8a s LYS 8 N 1.34 1.60 -0.15 1.67 -2.85 -1.26 -4.88 119.74 115.22 2b8a s LYS 8 Ca 0.02 -1.88 -0.19 0.00 -1.00 0.00 0.00 55.97 52.92 2b8a s LYS 8 Cb -0.18 0.32 0.05 0.00 -2.06 0.00 0.00 37.83 35.95 2b8a s LYS 8 CO -0.11 -0.58 0.51 -1.21 0.10 0.00 0.00 175.35 174.05 2b8a s GLU 9 N -3.63 0.67 0.27 1.78 2.02 -1.26 -5.14 118.70 113.39 2b8a s GLU 9 Ca 0.39 0.53 0.11 0.00 0.02 0.00 0.00 54.97 56.02 2b8a s GLU 9 Cb 0.03 0.32 -0.05 0.00 0.10 0.00 0.00 34.13 34.54 2b8a s GLU 9 CO 0.22 -0.12 -0.11 0.71 0.02 0.00 0.00 175.26 175.98 2b8a s TYR 10 N -0.13 2.48 0.09 1.61 2.02 -1.26 -5.15 117.35 117.01 2b8a s TYR 10 Ca -0.03 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 2b8a s TYR 10 Cb -0.03 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2b8a s TYR 10 CO 0.02 0.66 -0.03 0.15 -1.57 0.00 0.00 175.55 174.79 2b8a s LYS 11 N -3.52 0.79 -0.03 -0.62 -0.14 -1.26 -5.08 119.74 109.88 2b8a s LYS 11 Ca 0.30 -1.33 -0.36 0.00 -1.36 0.00 0.00 55.97 53.22 2b8a s LYS 11 Cb -0.06 -0.00 -0.14 0.00 -1.68 0.00 0.00 37.83 35.95 2b8a s LYS 11 CO 0.17 -0.09 1.66 0.00 -0.76 0.00 0.00 175.35 176.33 2b8a n GLY 13 N 3.72 2.08 3.76 0.00 0.00 0.34 -4.96 105.19 110.13 2b8a n GLY 13 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2b8a n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b8a s ASP 14 N -1.57 7.06 -0.28 1.61 -1.08 -0.42 -4.73 116.67 117.26 2b8a s ASP 14 Ca 0.00 2.45 -0.18 0.00 -0.52 0.00 0.00 52.55 54.30 2b8a s ASP 14 Cb 0.00 -2.64 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 2b8a s ASP 14 CO 0.00 -0.31 0.51 -0.76 0.52 0.00 0.00 175.17 175.13 2b8a s LEU 15 N -1.59 4.12 0.23 -1.34 1.43 -1.26 -1.58 118.68 118.69 2b8a s LEU 15 Ca 0.46 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2b8a s LEU 15 Cb -0.35 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2b8a s LEU 15 CO 0.46 -0.34 0.16 0.68 0.23 0.00 0.00 176.35 177.54 2b8a s VAL 16 N 2.33 0.03 -0.10 -1.59 -7.23 -0.19 -2.41 120.40 111.25 2b8a s VAL 16 Ca 0.20 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2b8a s VAL 16 Cb -0.16 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2b8a s VAL 16 CO 0.10 0.00 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.48 2b8a s PHE 17 N -4.00 2.97 -0.16 2.82 0.08 0.11 -0.54 117.98 119.26 2b8a s PHE 17 Ca 0.39 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.34 2b8a s PHE 17 Cb 0.06 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2b8a s PHE 17 CO 0.15 0.21 -0.10 0.00 -0.10 0.00 0.00 175.22 175.38 2b8a s ALA 18 N -0.43 2.69 -0.12 5.36 0.00 -0.99 -1.33 121.76 126.94 2b8a s ALA 18 Ca 0.07 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2b8a s ALA 18 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2b8a s ALA 18 CO 0.02 0.01 0.43 0.21 0.00 0.00 0.00 175.76 176.43 2b8a s LYS 19 N 0.74 4.30 0.07 0.00 2.47 -0.63 -1.98 119.74 124.70 2b8a s LYS 19 Ca -0.05 0.36 0.06 0.00 -1.56 0.00 0.00 55.97 54.79 2b8a s LYS 19 Cb -0.15 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.77 2b8a s LYS 19 CO 0.02 0.21 -0.16 -1.64 0.16 0.00 0.00 175.35 173.94 2b8a s MET 20 N 0.48 0.95 -0.40 4.03 -1.94 -1.24 -4.93 119.30 116.25 2b8a s MET 20 Ca 0.24 -0.95 -0.28 0.00 -1.71 0.00 0.00 55.69 52.99 2b8a s MET 20 Cb -0.15 -1.02 -0.02 0.00 2.01 0.00 0.00 34.83 35.65 2b8a s MET 20 CO 0.09 0.24 1.89 -1.59 -0.01 0.00 0.00 175.02 175.63 2b8a s LYS 21 N -1.59 3.05 0.00 2.03 -2.85 -1.26 -1.74 119.74 117.38 2b8a s LYS 21 Ca 0.01 1.26 0.00 0.00 -1.00 0.00 0.00 55.97 56.25 2b8a s LYS 21 Cb -0.09 -4.28 0.00 0.00 -2.06 0.00 0.00 37.83 31.39 2b8a s LYS 21 CO 0.02 -2.20 0.00 0.41 0.10 0.00 0.00 175.35 173.69 2b8a n GLY 22 N 5.55 0.86 3.07 0.59 0.00 -1.26 -5.09 105.19 108.92 2b8a n GLY 22 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 0.38 0.75 1.61 2.02 -0.71 -5.08 117.35 114.31 2b8a s TYR 23 Ca 0.00 -0.81 -0.08 0.00 -0.37 0.00 0.00 57.07 55.82 2b8a s TYR 23 Cb 0.00 -0.28 0.09 0.00 -0.40 0.00 0.00 41.96 41.37 2b8a s TYR 23 CO 0.00 -0.34 1.07 -1.25 -1.57 0.00 0.00 175.55 173.46 2b8a s PRO 24 N -3.07 1.91 -0.37 -1.71 0.04 -1.26 -3.70 135.00 126.83 2b8a s PRO 24 Ca -0.01 -0.34 -0.38 0.00 0.04 0.00 0.00 61.00 60.31 2b8a s PRO 24 Cb 0.02 -2.13 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 2b8a s PRO 24 CO -0.07 -1.45 2.09 0.72 0.04 0.00 0.00 177.00 178.34 2b8a n HIS 25 N -3.06 1.58 -3.69 0.56 8.25 -1.26 -4.63 115.22 112.97 2b8a n HIS 25 Ca 0.10 0.44 -0.35 0.00 -0.26 0.00 0.00 57.72 57.65 2b8a n HIS 25 Cb 0.60 -2.46 -0.08 0.00 1.12 0.00 0.00 29.99 29.17 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 6.30 3.40 -0.06 4.41 -0.11 -0.84 -4.84 118.94 127.21 2b8a s TRP 26 Ca 1.10 0.34 -0.34 0.00 1.22 0.00 0.00 56.10 58.42 2b8a s TRP 26 Cb -1.05 -2.20 -0.12 0.00 -1.50 0.00 0.00 33.47 28.60 2b8a s TRP 26 CO 0.56 0.24 1.86 -0.35 -4.62 0.00 0.00 176.95 174.64 2b8a n PRO 27 N 3.67 2.23 -4.17 5.86 -0.04 -1.26 -2.35 135.00 138.94 2b8a n PRO 27 Ca -0.15 0.81 -0.15 0.00 -0.04 0.00 0.00 63.50 63.97 2b8a n PRO 27 Cb 0.52 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.78 1.14 0.04 0.55 0.00 0.30 -2.35 121.76 125.22 2b8a s ALA 28 Ca 0.91 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2b8a s ALA 28 Cb -0.67 1.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2b8a s ALA 28 CO 0.50 -0.70 0.03 0.50 0.00 0.00 0.00 175.76 176.08 2b8a s ARG 29 N -3.56 0.51 -0.37 0.00 3.52 -0.93 -1.02 118.95 117.11 2b8a s ARG 29 Ca 0.35 -0.84 -0.27 0.00 -0.13 0.00 0.00 55.73 54.84 2b8a s ARG 29 Cb 0.02 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 2b8a s ARG 29 CO 0.20 -0.11 1.00 0.42 -0.81 0.00 0.00 175.30 176.00 2b8a s ILE 30 N -2.63 4.50 -0.32 4.11 -1.09 -0.61 -1.06 121.20 124.11 2b8a s ILE 30 Ca -0.05 1.35 0.11 0.00 -2.23 0.00 0.00 60.65 59.83 2b8a s ILE 30 Cb -0.01 -4.40 -0.14 0.00 -1.58 0.00 0.00 42.46 36.33 2b8a s ILE 30 CO -0.05 -0.60 0.37 -0.67 -1.23 0.00 0.00 174.94 172.77 2b8a n ASP 31 N 6.97 1.26 -3.52 3.58 2.03 -0.70 0.13 116.55 126.29 2b8a n ASP 31 Ca 0.09 -0.46 -0.14 0.00 0.52 0.00 0.00 54.79 54.80 2b8a n ASP 31 Cb 0.48 1.19 -0.05 0.00 -0.72 0.00 0.00 41.12 42.03 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2b8a s GLU 32 N -2.30 0.93 0.07 -0.67 -6.30 -1.11 -4.96 118.70 104.37 2b8a s GLU 32 Ca 0.01 0.07 -0.19 0.00 -2.50 0.00 0.00 54.97 52.35 2b8a s GLU 32 Cb 0.08 0.44 0.04 0.00 0.00 0.00 0.00 34.13 34.69 2b8a s GLU 32 CO 0.45 -0.32 0.46 0.00 0.02 0.00 0.00 175.26 175.86 2b8a s MET 33 N -1.73 1.02 0.64 4.30 0.23 -1.26 -1.50 119.30 120.99 2b8a s MET 33 Ca -0.05 -0.41 -0.11 0.00 -1.03 0.00 0.00 55.69 54.09 2b8a s MET 33 Cb -0.00 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.72 2b8a s MET 33 CO 0.02 -0.37 1.04 -1.25 -2.03 0.00 0.00 175.02 172.43 2b8a s PRO 34 N -2.87 3.45 0.01 3.16 0.04 -1.26 -5.01 135.00 132.52 2b8a s PRO 34 Ca -0.03 0.71 -0.09 0.00 0.04 0.00 0.00 61.00 61.63 2b8a s PRO 34 Cb -0.00 -2.07 -0.31 0.00 0.04 0.00 0.00 34.50 32.16 2b8a s PRO 34 CO -0.05 -0.67 0.88 1.49 0.04 0.00 0.00 177.00 178.70 2b8a h GLU 35 N -0.39 0.37 0.00 4.56 4.57 -2.00 -3.46 114.58 118.22 2b8a h GLU 35 Ca -0.44 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.11 2b8a h GLU 35 Cb 1.20 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2b8a h GLU 35 CO 0.62 1.27 0.00 0.00 -1.18 0.00 0.00 179.01 179.72 2b8a n ALA 36 N -2.71 0.00 0.00 2.92 0.00 -1.26 -5.02 120.51 114.44 2b8a n ALA 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2b8a n ALA 36 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 -1.03 0.00 -1.53 0.00 0.00 -1.26 -4.92 120.51 111.77 2b8a n ALA 37 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2b8a n ALA 37 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2b8a n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2b8a n VAL 38 N -2.18 -0.09 -4.02 0.00 0.24 -1.26 -2.44 118.33 108.58 2b8a n VAL 38 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 2b8a n VAL 38 Cb 0.00 -1.20 0.02 0.00 -1.47 0.00 0.00 33.84 31.19 2b8a n VAL 38 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2b8a n LYS 39 N -1.94 -0.40 0.00 7.34 5.02 -1.26 -4.53 118.16 122.39 2b8a n LYS 39 Ca -0.12 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2b8a n LYS 39 Cb 0.42 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 2b8a n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2b8a n SER 40 N -2.22 0.00 -4.56 4.39 3.41 -1.11 -5.09 113.62 108.43 2b8a n SER 40 Ca -0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.08 2b8a n SER 40 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2b8a n SER 40 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2b8a s THR 41 N 0.00 3.84 -0.31 6.66 -4.23 -1.02 -4.89 115.64 115.69 2b8a s THR 41 Ca 0.00 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 2b8a s THR 41 Cb 0.00 -4.79 -0.15 0.00 1.34 0.00 0.00 72.50 68.90 2b8a s THR 41 CO 0.00 -1.58 2.56 0.00 -0.54 0.00 0.00 174.62 175.06 2b8a n ALA 42 N 9.07 4.92 -3.59 3.99 0.00 -1.26 -4.49 120.51 129.14 2b8a n ALA 42 Ca 0.06 -1.58 -0.20 0.00 0.00 0.00 0.00 53.44 51.73 2b8a n ALA 42 Cb 0.49 -2.52 0.05 0.00 0.00 0.00 0.00 19.45 17.47 2b8a n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2b8a n ASN 43 N 3.04 -1.83 -4.03 0.00 5.15 -1.26 -5.00 115.26 111.32 2b8a n ASN 43 Ca 0.36 -0.76 -0.20 0.00 -0.60 0.00 0.00 54.58 53.39 2b8a n ASN 43 Cb 0.50 -4.44 -0.15 0.00 -0.53 0.00 0.00 39.78 35.16 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2b8a s LYS 44 N -5.70 0.88 0.22 1.20 1.02 -1.26 -4.68 119.74 111.42 2b8a s LYS 44 Ca 0.04 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.64 2b8a s LYS 44 Cb -0.01 -0.84 -0.05 0.00 -0.52 0.00 0.00 37.83 36.41 2b8a s LYS 44 CO 0.78 0.19 0.46 0.71 -0.92 0.00 0.00 175.35 176.57 2b8a s TYR 45 N -0.12 3.47 -0.47 3.18 1.51 0.27 -4.56 117.35 120.64 2b8a s TYR 45 Ca 0.02 0.54 -0.16 0.00 -1.01 0.00 0.00 57.07 56.46 2b8a s TYR 45 Cb -0.05 -2.01 0.06 0.00 -0.11 0.00 0.00 41.96 39.85 2b8a s TYR 45 CO -0.00 0.31 0.43 -1.14 -1.11 0.00 0.00 175.55 174.03 2b8a s GLN 46 N -3.22 3.00 0.07 -0.62 0.74 -0.56 -1.32 119.66 117.75 2b8a s GLN 46 Ca 0.42 -1.23 0.01 0.00 0.05 0.00 0.00 55.36 54.60 2b8a s GLN 46 Cb -0.11 -4.11 -0.04 0.00 1.10 0.00 0.00 33.01 29.85 2b8a s GLN 46 CO 0.28 -1.03 0.18 0.14 -0.55 0.00 0.00 175.29 174.31 2b8a s VAL 47 N 1.81 5.16 -0.22 1.34 -7.23 -0.61 -1.73 120.40 118.92 2b8a s VAL 47 Ca 0.06 -0.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 2b8a s VAL 47 Cb -0.23 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 2b8a s VAL 47 CO 0.08 0.12 0.05 0.12 -0.31 0.00 0.00 175.10 175.16 2b8a s PHE 48 N -1.50 3.12 -0.48 2.82 5.36 -0.22 -2.59 117.98 124.49 2b8a s PHE 48 Ca 0.33 -0.25 -0.21 0.00 -0.96 0.00 0.00 56.93 55.84 2b8a s PHE 48 Cb -0.13 -2.15 0.04 0.00 -0.34 0.00 0.00 43.02 40.44 2b8a s PHE 48 CO 0.26 -0.16 0.69 -0.06 -1.46 0.00 0.00 175.22 174.49 2b8a s PHE 49 N 1.07 3.01 1.31 10.12 0.08 0.12 -2.19 117.98 131.51 2b8a s PHE 49 Ca 0.04 -0.22 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 2b8a s PHE 49 Cb -0.14 -3.55 0.32 0.00 -0.57 0.00 0.00 43.02 39.08 2b8a s PHE 49 CO 0.03 -1.01 0.82 1.19 -0.10 0.00 0.00 175.22 176.14 2b8a n PHE 50 N 6.44 -2.59 0.00 0.36 3.72 -0.99 0.70 117.46 125.10 2b8a n PHE 50 Ca -0.03 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 2b8a n PHE 50 Cb 0.47 -1.49 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 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 1.63 0.83 0.11 1.37 0.00 -1.25 -3.57 105.19 104.31 2b8a n GLY 51 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.75 -2.84 2.61 -2.24 -1.23 -4.83 114.28 106.50 2b8a n THR 52 Ca 0.00 -0.59 -0.18 0.00 -2.27 0.00 0.00 64.05 61.02 2b8a n THR 52 Cb 0.00 -0.43 0.03 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.72 -1.54 -3.23 4.78 -0.00 0.22 -4.99 115.22 107.74 2b8a n HIS 53 Ca -0.03 0.40 -0.30 0.00 -0.00 0.00 0.00 57.72 57.79 2b8a n HIS 53 Cb 0.63 -3.81 -0.04 0.00 -0.00 0.00 0.00 29.99 26.77 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 -5.43 3.71 0.00 -0.41 2.02 -0.85 -4.82 118.70 112.92 2b8a s GLU 54 Ca 0.23 0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.48 2b8a s GLU 54 Cb -0.10 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2b8a s GLU 54 CO 0.29 0.17 -0.22 0.95 0.02 0.00 0.00 175.26 176.47 2b8a s THR 55 N -2.10 1.72 0.36 3.63 -4.23 -1.26 0.13 115.64 113.88 2b8a s THR 55 Ca 0.47 -1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 2b8a s THR 55 Cb -0.11 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.32 2b8a s THR 55 CO 0.28 0.40 0.66 0.00 -0.54 0.00 0.00 174.62 175.42 2b8a s ALA 56 N -0.60 -0.23 -0.12 3.99 0.00 -1.07 -5.03 121.76 118.71 2b8a s ALA 56 Ca 0.08 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2b8a s ALA 56 Cb -0.08 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2b8a s ALA 56 CO 0.00 -0.92 -0.22 -0.06 0.00 0.00 0.00 175.76 174.56 2b8a s PHE 57 N -2.78 2.55 0.11 0.00 0.40 -1.26 -1.58 117.98 115.42 2b8a s PHE 57 Ca 0.21 -1.17 -0.01 0.00 -0.60 0.00 0.00 56.93 55.36 2b8a s PHE 57 Cb -0.03 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 2b8a s PHE 57 CO 0.14 -0.51 0.03 -0.51 0.70 0.00 0.00 175.22 175.07 2b8a s LEU 58 N 0.61 1.96 0.65 -0.37 1.43 -0.44 -4.89 118.68 117.64 2b8a s LEU 58 Ca -0.12 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 51.85 2b8a s LEU 58 Cb -0.17 0.27 0.10 0.00 0.03 0.00 0.00 46.19 46.43 2b8a s LEU 58 CO 0.03 -0.69 0.90 -0.83 0.23 0.00 0.00 176.35 175.98 2b8a s GLY 59 N -3.01 1.76 0.49 -3.19 0.00 -1.26 -0.56 107.32 101.55 2b8a s GLY 59 Ca 0.20 -1.84 0.25 0.00 0.00 0.00 0.00 44.72 43.33 2b8a s GLY 59 CO -0.01 -1.34 2.01 -0.56 0.00 0.00 0.00 173.10 173.20 2b8a h PRO 60 N -0.21 0.00 0.00 2.90 0.13 -1.92 -2.33 132.00 130.57 2b8a h PRO 60 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 2b8a h PRO 60 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2b8a h PRO 60 CO 0.41 0.16 -0.27 0.87 -0.23 0.00 0.00 178.00 178.94 2b8a h LYS 61 N 0.00 0.00 -0.34 0.86 1.57 -2.00 -2.61 116.57 114.05 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 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2b8a h LYS 61 CO 0.02 0.27 0.00 -0.25 -0.57 0.00 0.00 179.45 178.92 2b8a n ASP 62 N -3.56 3.20 -4.51 0.86 9.92 -0.89 -4.91 116.55 116.66 2b8a n ASP 62 Ca -0.01 -1.96 -0.33 0.00 -0.53 0.00 0.00 54.79 51.96 2b8a n ASP 62 Cb 0.41 -0.22 -0.12 0.00 -0.64 0.00 0.00 41.12 40.55 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 -1.52 2.91 0.10 0.64 1.43 -0.98 -1.61 118.68 119.65 2b8a s LEU 63 Ca 0.37 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2b8a s LEU 63 Cb 0.22 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2b8a s LEU 63 CO 0.31 0.34 -0.06 -0.36 0.23 0.00 0.00 176.35 176.81 2b8a s PHE 64 N -0.70 0.87 -0.32 0.29 0.40 -0.44 -4.91 117.98 113.17 2b8a s PHE 64 Ca 0.11 -0.92 -0.29 0.00 -0.60 0.00 0.00 56.93 55.23 2b8a s PHE 64 Cb -0.11 -0.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 2b8a s PHE 64 CO 0.01 -0.16 1.69 -2.14 0.70 0.00 0.00 175.22 175.32 2b8a s PRO 65 N -3.82 3.47 0.11 0.24 0.02 -1.26 -0.72 135.00 133.04 2b8a s PRO 65 Ca 0.11 1.38 -0.34 0.00 0.02 0.00 0.00 61.00 62.18 2b8a s PRO 65 Cb 0.05 -4.13 -0.13 0.00 0.02 0.00 0.00 34.50 30.31 2b8a s PRO 65 CO -0.05 -1.69 1.57 -0.92 -0.33 0.00 0.00 177.00 175.58 2b8a h TYR 66 N 12.02 -1.43 -0.93 6.54 3.20 -1.77 0.95 116.97 135.55 2b8a h TYR 66 Ca -0.33 0.04 0.19 0.00 3.14 0.00 0.00 58.73 61.77 2b8a h TYR 66 Cb 1.15 0.60 -0.11 0.00 1.54 0.00 0.00 36.73 39.92 2b8a h TYR 66 CO 0.95 -0.58 0.51 0.93 -1.64 0.00 0.00 178.16 178.32 2b8a h GLU 67 N -0.75 0.60 -0.40 1.82 5.08 -1.91 2.27 114.58 121.29 2b8a h GLU 67 Ca -0.00 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 2b8a h GLU 67 Cb 0.75 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2b8a h GLU 67 CO -0.26 0.39 -0.36 1.49 -1.00 0.00 0.00 179.01 179.27 2b8a h GLU 68 N 0.61 0.94 -0.41 2.33 4.22 -1.79 -3.24 114.58 117.25 2b8a h GLU 68 Ca 0.55 -0.48 0.00 0.00 0.08 0.00 0.00 59.36 59.51 2b8a h GLU 68 Cb 0.90 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2b8a h GLU 68 CO -0.42 1.14 0.00 0.43 -2.18 0.00 0.00 179.01 177.98 2b8a n SER 69 N -4.06 3.64 -0.12 1.04 7.64 0.26 -4.63 113.62 117.39 2b8a n SER 69 Ca -0.02 -2.38 -0.05 0.00 1.01 0.00 0.00 58.87 57.43 2b8a n SER 69 Cb 0.53 -0.40 0.03 0.00 -1.01 0.00 0.00 64.21 63.35 2b8a n SER 69 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2b8a h LYS 70 N 2.51 0.25 0.00 1.43 2.10 0.37 0.56 116.57 123.80 2b8a h LYS 70 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2b8a h LYS 70 Cb 1.10 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2b8a h LYS 70 CO 0.11 0.16 -0.07 0.93 -2.00 0.00 0.00 179.45 178.58 2b8a h GLU 71 N 0.26 0.00 0.01 0.07 5.08 -1.82 0.92 114.58 119.10 2b8a h GLU 71 Ca 0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 2b8a h GLU 71 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2b8a h GLU 71 CO -0.20 0.07 -0.78 -0.22 -1.00 0.00 0.00 179.01 176.88 2b8a h LYS 72 N 0.00 0.03 -0.01 2.33 3.64 -1.46 -3.39 116.57 117.70 2b8a h LYS 72 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2b8a h LYS 72 Cb 0.61 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2b8a h LYS 72 CO 0.01 1.02 -0.41 1.19 -2.27 0.00 0.00 179.45 178.99 2b8a n PHE 73 N -4.45 0.00 -2.02 1.91 3.72 0.18 -4.75 117.46 112.04 2b8a n PHE 73 Ca -0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 2b8a n PHE 73 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 1.28 4.36 3.24 1.37 0.00 0.32 -4.88 105.19 110.88 2b8a n GLY 74 Ca 0.08 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 2.32 0.75 0.88 1.61 1.02 -1.26 -4.85 119.74 120.21 2b8a s LYS 75 Ca 0.45 -0.44 -0.13 0.00 0.02 0.00 0.00 55.97 55.87 2b8a s LYS 75 Cb 0.11 0.33 0.06 0.00 -0.52 0.00 0.00 37.83 37.81 2b8a s LYS 75 CO -0.04 -0.23 0.78 -0.35 -0.92 0.00 0.00 175.35 174.59 2b8a n PRO 76 N 0.78 -0.14 -4.23 -1.68 -0.04 -1.26 -4.80 135.00 123.63 2b8a n PRO 76 Ca -0.19 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 2b8a n PRO 76 Cb 0.58 -2.11 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 2b8a n PRO 76 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2b8a s ASN 77 N -2.11 0.75 0.18 3.54 -0.87 -1.26 -4.99 114.94 110.18 2b8a s ASN 77 Ca 0.64 -1.28 0.25 0.00 -1.57 0.00 0.00 52.86 50.90 2b8a s ASN 77 Cb -0.25 0.23 0.52 0.00 -0.02 0.00 0.00 41.25 41.73 2b8a s ASN 77 CO 0.60 -0.71 1.51 0.11 -2.57 0.00 0.00 177.10 176.05 2b8a h LYS 78 N 2.64 0.00 0.00 -0.60 1.79 -2.03 -3.25 116.57 115.12 2b8a h LYS 78 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2b8a h LYS 78 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2b8a h LYS 78 CO 0.59 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.50 2b8a n ARG 79 N -2.27 0.15 -1.39 3.15 3.00 -1.26 -4.97 116.66 113.07 2b8a n ARG 79 Ca 0.04 0.48 0.00 0.00 -0.01 0.00 0.00 57.85 58.36 2b8a n ARG 79 Cb 0.45 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 31.06 2b8a n ARG 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2b8a n LYS 80 N -2.14 -3.92 0.00 5.56 4.76 -1.23 -4.77 118.16 116.42 2b8a n LYS 80 Ca 0.01 2.95 0.00 0.00 -2.87 0.00 0.00 58.31 58.40 2b8a n LYS 80 Cb 0.15 -3.39 0.00 0.00 -1.84 0.00 0.00 35.03 29.95 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 -1.24 2.88 0.25 0.72 0.00 -1.26 -4.89 105.19 101.64 2b8a n GLY 81 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.54 -0.59 1.61 3.04 -1.88 -2.95 116.94 115.63 2b8a h PHE 82 Ca 0.00 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2b8a h PHE 82 Cb 0.00 0.18 -0.08 0.00 2.56 0.00 0.00 35.95 38.61 2b8a h PHE 82 CO 0.00 -0.33 0.17 0.77 -2.02 0.00 0.00 178.31 176.90 2b8a h SER 83 N -0.57 0.12 -1.14 0.41 0.02 -1.90 0.71 113.55 111.20 2b8a h SER 83 Ca -0.06 0.09 0.33 0.00 -0.84 0.00 0.00 61.79 61.32 2b8a h SER 83 Cb 0.44 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 2b8a h SER 83 CO 0.09 0.07 0.83 -0.33 -1.14 0.00 0.00 176.83 176.35 2b8a h GLU 84 N 0.33 0.00 -0.02 3.45 5.08 -1.90 0.84 114.58 122.36 2b8a h GLU 84 Ca 0.30 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.50 2b8a h GLU 84 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2b8a h GLU 84 CO -0.34 0.00 -0.72 0.78 -1.00 0.00 0.00 179.01 177.73 2b8a h GLY 85 N 0.00 0.14 0.99 -3.84 0.00 -0.80 -3.01 103.07 96.55 2b8a h GLY 85 Ca 0.54 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 2b8a h GLY 85 CO -0.01 0.18 0.33 1.41 0.00 0.00 0.00 176.54 178.45 2b8a h LEU 86 N 0.08 0.67 -0.29 3.11 -0.00 0.76 -1.20 115.31 118.44 2b8a h LEU 86 Ca -0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2b8a h LEU 86 Cb 1.27 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2b8a h LEU 86 CO 0.10 0.54 0.05 -0.25 -0.00 0.00 0.00 178.44 178.88 2b8a h TRP 87 N 0.74 0.52 0.09 1.13 7.01 -1.53 -3.10 115.95 120.81 2b8a h TRP 87 Ca 0.20 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 2b8a h TRP 87 Cb -0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2b8a h TRP 87 CO -0.02 0.57 -0.04 0.93 -2.79 0.00 0.00 178.44 177.09 2b8a h GLU 88 N 0.31 -0.12 -0.55 2.65 5.08 -1.38 0.85 114.58 121.42 2b8a h GLU 88 Ca 0.09 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.62 2b8a h GLU 88 Cb 0.33 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2b8a h GLU 88 CO 0.01 0.03 0.51 0.97 -1.00 0.00 0.00 179.01 179.52 2b8a h ILE 89 N -0.25 0.44 0.00 3.13 6.09 -1.25 1.05 117.51 126.72 2b8a h ILE 89 Ca -0.01 0.00 -0.42 0.00 -1.37 0.00 0.00 64.86 63.05 2b8a h ILE 89 Cb 0.20 0.62 -0.07 0.00 0.47 0.00 0.00 36.82 38.04 2b8a h ILE 89 CO 0.02 0.00 -2.48 -0.62 -3.07 0.00 0.00 178.15 172.00 2b8a n GLU 90 N -3.90 0.62 0.07 2.19 1.02 -0.99 -4.13 120.64 115.53 2b8a n GLU 90 Ca 0.11 0.21 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 2b8a n GLU 90 Cb 0.72 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.50 2b8a n GLU 90 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2b8a h ASN 91 N -0.47 0.16 -1.34 1.62 2.35 0.10 -3.43 115.58 114.57 2b8a h ASN 91 Ca -0.63 -0.17 -0.19 0.00 -0.55 0.00 0.00 56.30 54.76 2b8a h ASN 91 Cb 1.76 -0.05 -0.23 0.00 0.05 0.00 0.00 38.32 39.85 2b8a h ASN 91 CO -0.24 1.13 -0.55 0.21 -1.65 0.00 0.00 177.43 176.33 2b8a s ASN 92 N -6.86 -0.60 0.17 5.81 3.84 0.36 -5.00 114.94 112.66 2b8a s ASN 92 Ca -0.01 -1.27 0.25 0.00 0.21 0.00 0.00 52.86 52.04 2b8a s ASN 92 Cb 0.09 1.44 0.91 0.00 -0.55 0.00 0.00 41.25 43.14 2b8a s ASN 92 CO 0.84 -0.18 1.75 -0.81 -2.79 0.00 0.00 177.10 175.92 2b8a n PRO 93 N 4.07 0.17 -0.37 0.43 -0.04 -1.05 -2.95 135.00 135.26 2b8a n PRO 93 Ca 0.13 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 2b8a n PRO 93 Cb 0.53 -1.74 0.26 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.04 1.37 -1.90 0.52 -2.24 -1.26 -4.98 114.28 103.75 2b8a n THR 94 Ca 0.05 -1.16 -0.36 0.00 -2.27 0.00 0.00 64.05 60.30 2b8a n THR 94 Cb 0.33 0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 2b8a n THR 94 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2b8a s VAL 95 N -1.43 2.37 -0.09 2.28 0.11 -1.15 -5.04 120.40 117.45 2b8a s VAL 95 Ca 0.39 0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 2b8a s VAL 95 Cb 0.23 -3.10 0.03 0.00 -1.53 0.00 0.00 36.38 32.01 2b8a s VAL 95 CO 0.21 -0.05 0.32 -0.54 -3.33 0.00 0.00 175.10 171.72 2b8a s LYS 96 N -3.32 0.47 -0.55 1.54 1.02 -1.26 -5.11 119.74 112.54 2b8a s LYS 96 Ca 0.79 0.24 -0.21 0.00 0.02 0.00 0.00 55.97 56.81 2b8a s LYS 96 Cb -0.34 0.22 0.06 0.00 -0.52 0.00 0.00 37.83 37.26 2b8a s LYS 96 CO 0.36 -0.09 0.76 0.00 -0.92 0.00 0.00 175.35 175.46 2b8a s ALA 97 N -0.31 3.30 0.15 5.17 0.00 -1.26 -5.04 121.76 123.76 2b8a s ALA 97 Ca -0.04 -1.71 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 2b8a s ALA 97 Cb -0.03 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 2b8a s ALA 97 CO 0.02 -2.25 0.81 0.45 0.00 0.00 0.00 175.76 174.78 2b8a s SER 98 N 3.00 7.40 -0.06 0.00 0.15 -1.26 -5.07 113.70 117.87 2b8a s SER 98 Ca 0.19 1.66 -0.07 0.00 0.70 0.00 0.00 55.95 58.43 2b8a s SER 98 Cb -0.18 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 2b8a s SER 98 CO 0.13 0.14 0.19 -0.83 1.20 0.00 0.00 173.24 174.06 2b8a s GLY 99 N -0.83 -0.11 0.13 9.45 0.00 -1.26 -5.16 107.32 109.54 2b8a s GLY 99 Ca 0.38 0.42 0.08 0.00 0.00 0.00 0.00 44.72 45.60 2b8a s GLY 99 CO 0.27 0.33 -0.19 -0.19 0.00 0.00 0.00 173.10 173.33 2b8a s TYR 100 N -0.18 1.73 0.00 1.90 1.51 -1.26 -5.04 117.35 116.01 2b8a s TYR 100 Ca -0.03 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2b8a s TYR 100 Cb -0.02 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 2b8a s TYR 100 CO 0.01 0.25 0.00 1.04 -1.11 0.00 0.00 175.55 175.74 2b8a n GLN 101 N 0.65 0.00 -3.68 -0.62 3.00 -1.26 -5.03 117.38 110.43 2b8a n GLN 101 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.53 2b8a n GLN 101 Cb 0.56 -0.29 -0.15 0.00 0.00 0.00 0.00 30.24 30.36 2b8a n GLN 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2b8a s SER 102 N -4.43 3.90 -0.11 1.08 0.15 -1.26 -5.00 113.70 108.04 2b8a s SER 102 Ca 0.00 -1.57 -0.12 0.00 0.70 0.00 0.00 55.95 54.96 2b8a s SER 102 Cb 0.00 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 2b8a s SER 102 CO 0.00 -0.42 -0.22 -1.20 1.20 0.00 0.00 173.24 172.60 2b8a n SER 103 N 4.92 1.32 -3.31 5.45 7.64 -1.26 -5.04 113.62 123.33 2b8a n SER 103 Ca -0.03 0.22 0.02 0.00 1.01 0.00 0.00 58.87 60.10 2b8a n SER 103 Cb 0.42 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.97 2b8a n SER 103 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2b8a s GLN 104 N -2.29 0.54 0.06 1.43 0.74 -1.26 -5.17 119.66 113.71 2b8a s GLN 104 Ca -0.19 1.10 -0.07 0.00 0.05 0.00 0.00 55.36 56.25 2b8a s GLN 104 Cb 0.03 0.63 -0.01 0.00 1.10 0.00 0.00 33.01 34.76 2b8a s GLN 104 CO 0.27 -0.44 0.14 -1.59 -0.55 0.00 0.00 175.29 173.12 2b8a s LYS 105 N 2.86 0.72 -0.13 1.67 -2.85 -1.26 -5.14 119.74 115.61 2b8a s LYS 105 Ca 0.10 -0.87 -0.28 0.00 -1.00 0.00 0.00 55.97 53.92 2b8a s LYS 105 Cb -0.13 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 35.91 2b8a s LYS 105 CO -0.20 -0.20 0.94 0.15 0.10 0.00 0.00 175.35 176.14 2b8a s LYS 106 N -3.30 4.37 -0.14 1.78 1.02 -1.26 -5.03 119.74 117.18 2b8a s LYS 106 Ca 0.01 1.24 -0.13 0.00 0.02 0.00 0.00 55.97 57.12 2b8a s LYS 106 Cb 0.03 -3.56 0.04 0.00 -0.52 0.00 0.00 37.83 33.82 2b8a s LYS 106 CO -0.08 -0.33 0.38 -1.12 -0.92 0.00 0.00 175.35 173.28 2b8a s SER 107 N 1.11 -0.40 0.22 2.83 0.01 -1.26 -5.06 113.70 111.15 2b8a s SER 107 Ca 0.44 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2b8a s SER 107 Cb -0.17 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2b8a s SER 107 CO 0.15 -0.14 0.00 0.00 0.41 0.00 0.00 173.24 173.66 2b8a n ALA 109 N -3.16 -3.86 0.94 0.00 0.00 -1.26 -5.37 120.51 107.80 2b8a n ALA 109 Ca 0.00 0.77 0.11 0.00 0.00 0.00 0.00 53.44 54.33 2b8a n ALA 109 Cb 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 19.45 18.03 2b8a n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89