#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 1.91 -0.15 7.83 0.01 -1.26 -5.08 113.70 116.96 2b8a s SER 2 Ca 0.00 -1.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.04 2b8a s SER 2 Cb 0.00 -0.03 -0.19 0.00 0.21 0.00 0.00 66.02 66.01 2b8a s SER 2 CO 0.00 -0.30 0.48 0.03 0.41 0.00 0.00 173.24 173.87 2b8a h ARG 3 N 2.80 0.00 0.00 12.44 2.47 -2.11 -3.48 114.38 126.49 2b8a h ARG 3 Ca -0.37 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 57.96 2b8a h ARG 3 Cb 1.20 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.47 2b8a h ARG 3 CO 0.62 0.80 -0.22 -1.13 0.56 0.00 0.00 179.97 180.60 2b8a n SER 4 N -4.60 2.40 -4.58 7.04 3.41 -1.26 -5.16 113.62 110.87 2b8a n SER 4 Ca -0.13 -2.29 -0.24 0.00 -0.26 0.00 0.00 58.87 55.95 2b8a n SER 4 Cb 0.44 0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 2b8a n SER 4 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2b8a s ASN 5 N -2.97 4.07 -0.26 4.04 -0.87 -1.26 -5.15 114.94 112.54 2b8a s ASN 5 Ca 0.13 -0.94 -0.27 0.00 -1.57 0.00 0.00 52.86 50.21 2b8a s ASN 5 Cb -0.01 -0.53 0.15 0.00 -0.02 0.00 0.00 41.25 40.84 2b8a s ASN 5 CO 0.08 -0.11 1.15 -0.13 -2.57 0.00 0.00 177.10 175.52 2b8a s ARG 6 N -3.64 0.39 0.58 -0.60 0.52 -1.26 -5.15 118.95 109.78 2b8a s ARG 6 Ca 0.33 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 2b8a s ARG 6 Cb -0.03 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.63 2b8a s ARG 6 CO 0.18 -0.08 0.00 0.94 0.02 0.00 0.00 175.30 176.37 2b8a n GLN 7 N 1.55 -3.72 -4.20 3.54 7.27 -1.26 -4.95 117.38 115.60 2b8a n GLN 7 Ca -0.10 2.93 -0.31 0.00 0.07 0.00 0.00 57.00 59.59 2b8a n GLN 7 Cb 0.57 -3.81 -0.08 0.00 2.41 0.00 0.00 30.24 29.33 2b8a n GLN 7 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2b8a s LYS 8 N -5.03 2.65 0.00 3.69 2.20 -1.26 -5.12 119.74 116.87 2b8a s LYS 8 Ca 0.00 -0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 2b8a s LYS 8 Cb 0.00 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 2b8a s LYS 8 CO 0.00 0.58 0.32 -1.21 -0.36 0.00 0.00 175.35 174.68 2b8a s GLU 9 N -1.99 3.71 0.22 4.03 2.02 -1.26 -5.02 118.70 120.41 2b8a s GLU 9 Ca 0.23 0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.44 2b8a s GLU 9 Cb -0.12 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2b8a s GLU 9 CO 0.15 0.66 -0.00 0.71 0.02 0.00 0.00 175.26 176.80 2b8a s TYR 10 N -1.21 2.76 0.14 1.61 2.02 -1.26 -5.14 117.35 116.26 2b8a s TYR 10 Ca 0.26 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.82 2b8a s TYR 10 Cb -0.14 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2b8a s TYR 10 CO 0.14 0.57 -0.11 0.15 -1.57 0.00 0.00 175.55 174.73 2b8a s LYS 11 N -3.33 1.03 0.17 -0.62 -0.14 -1.26 -5.03 119.74 110.57 2b8a s LYS 11 Ca 0.29 -1.39 -0.34 0.00 -1.36 0.00 0.00 55.97 53.18 2b8a s LYS 11 Cb -0.08 -0.66 -0.15 0.00 -1.68 0.00 0.00 37.83 35.26 2b8a s LYS 11 CO 0.19 0.09 1.43 0.00 -0.76 0.00 0.00 175.35 176.30 2b8a n GLY 13 N 2.70 1.05 3.76 0.00 0.00 -0.45 -4.97 105.19 107.28 2b8a n GLY 13 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.19 7.02 -0.29 1.61 -1.08 -0.57 -4.75 116.67 116.41 2b8a s ASP 14 Ca 0.00 2.43 -0.19 0.00 -0.52 0.00 0.00 52.55 54.27 2b8a s ASP 14 Cb 0.00 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.82 2b8a s ASP 14 CO 0.00 -0.37 0.56 -0.76 0.52 0.00 0.00 175.17 175.12 2b8a s LEU 15 N -1.15 4.14 0.23 -1.34 1.43 -1.26 -1.06 118.68 119.66 2b8a s LEU 15 Ca 0.49 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2b8a s LEU 15 Cb -0.35 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2b8a s LEU 15 CO 0.44 -0.39 0.16 0.68 0.23 0.00 0.00 176.35 177.47 2b8a s VAL 16 N 2.44 0.01 -0.08 -1.59 -7.23 0.67 -2.21 120.40 112.40 2b8a s VAL 16 Ca 0.22 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2b8a s VAL 16 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2b8a s VAL 16 CO 0.11 0.00 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.42 2b8a s PHE 17 N -4.00 2.81 -0.16 2.82 0.08 -0.22 -0.27 117.98 119.05 2b8a s PHE 17 Ca 0.39 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 2b8a s PHE 17 Cb 0.06 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2b8a s PHE 17 CO 0.15 0.12 -0.12 0.00 -0.10 0.00 0.00 175.22 175.27 2b8a s ALA 18 N -0.43 2.62 -0.01 5.36 0.00 -1.05 -1.91 121.76 126.33 2b8a s ALA 18 Ca 0.06 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2b8a s ALA 18 Cb -0.12 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 2b8a s ALA 18 CO 0.02 0.03 0.53 0.21 0.00 0.00 0.00 175.76 176.55 2b8a s LYS 19 N 0.71 4.23 0.09 0.00 2.47 -0.89 -2.00 119.74 124.35 2b8a s LYS 19 Ca -0.06 0.63 0.05 0.00 -1.56 0.00 0.00 55.97 55.03 2b8a s LYS 19 Cb -0.15 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.87 2b8a s LYS 19 CO 0.02 0.44 -0.14 -1.64 0.16 0.00 0.00 175.35 174.19 2b8a s MET 20 N -0.39 0.90 -0.11 4.03 -1.94 -1.24 -4.96 119.30 115.58 2b8a s MET 20 Ca 0.28 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 52.90 2b8a s MET 20 Cb -0.18 -0.85 -0.05 0.00 2.01 0.00 0.00 34.83 35.76 2b8a s MET 20 CO 0.16 0.18 1.66 0.15 -0.01 0.00 0.00 175.02 177.15 2b8a s LYS 21 N -2.12 4.04 0.00 2.03 1.02 -1.26 -1.97 119.74 121.47 2b8a s LYS 21 Ca 0.02 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.04 2b8a s LYS 21 Cb -0.08 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 2b8a s LYS 21 CO 0.02 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 2b8a n GLY 22 N 4.33 0.92 3.18 -3.33 0.00 -1.26 -5.04 105.19 103.99 2b8a n GLY 22 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.37 1.13 0.67 1.61 2.02 -0.83 -5.09 117.35 114.49 2b8a s TYR 23 Ca 0.00 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 56.01 2b8a s TYR 23 Cb 0.00 -0.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.98 2b8a s TYR 23 CO 0.00 0.03 1.00 -1.25 -1.57 0.00 0.00 175.55 173.76 2b8a s PRO 24 N -2.61 2.55 -0.35 -1.71 0.04 -1.26 -3.70 135.00 127.96 2b8a s PRO 24 Ca 0.05 -0.00 -0.40 0.00 0.04 0.00 0.00 61.00 60.69 2b8a s PRO 24 Cb -0.04 -2.16 -0.15 0.00 0.04 0.00 0.00 34.50 32.19 2b8a s PRO 24 CO 0.01 -1.04 1.94 0.72 0.04 0.00 0.00 177.00 178.67 2b8a n HIS 25 N -2.85 1.75 -3.68 0.56 8.25 -1.26 -4.62 115.22 113.37 2b8a n HIS 25 Ca 0.07 0.53 -0.35 0.00 -0.26 0.00 0.00 57.72 57.70 2b8a n HIS 25 Cb 0.59 -2.44 -0.08 0.00 1.12 0.00 0.00 29.99 29.18 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 5.10 3.42 -0.14 4.41 -0.11 -0.85 -4.85 118.94 125.92 2b8a s TRP 26 Ca 1.06 0.40 -0.35 0.00 1.22 0.00 0.00 56.10 58.42 2b8a s TRP 26 Cb -1.10 -2.21 -0.12 0.00 -1.50 0.00 0.00 33.47 28.54 2b8a s TRP 26 CO 0.62 0.27 1.88 -0.35 -4.62 0.00 0.00 176.95 174.75 2b8a n PRO 27 N 3.54 1.96 -4.16 5.86 -0.04 -1.26 -2.52 135.00 138.38 2b8a n PRO 27 Ca -0.15 0.71 -0.14 0.00 -0.04 0.00 0.00 63.50 63.88 2b8a n PRO 27 Cb 0.52 -2.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.35 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 4.21 1.00 0.04 0.55 0.00 0.63 -2.49 121.76 125.71 2b8a s ALA 28 Ca 0.95 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2b8a s ALA 28 Cb -0.76 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2b8a s ALA 28 CO 0.54 -0.70 0.07 0.50 0.00 0.00 0.00 175.76 176.17 2b8a s ARG 29 N -3.68 0.59 0.22 0.00 3.52 -0.94 -0.24 118.95 118.41 2b8a s ARG 29 Ca 0.34 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2b8a s ARG 29 Cb 0.03 0.22 -0.08 0.00 -1.56 0.00 0.00 34.95 33.56 2b8a s ARG 29 CO 0.17 -0.14 1.00 0.42 -0.81 0.00 0.00 175.30 175.95 2b8a s ILE 30 N -2.82 3.99 0.00 4.11 -1.09 -0.22 -1.65 121.20 123.52 2b8a s ILE 30 Ca -0.03 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 2b8a s ILE 30 Cb 0.00 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 2b8a s ILE 30 CO -0.06 0.40 0.00 -0.67 -1.23 0.00 0.00 174.94 173.39 2b8a n ASP 31 N 1.79 4.07 -3.53 3.58 -0.08 -0.94 -1.34 116.55 120.10 2b8a n ASP 31 Ca -0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.12 2b8a n ASP 31 Cb 0.47 0.80 -0.05 0.00 2.34 0.00 0.00 41.12 44.67 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2b8a s GLU 32 N -1.63 0.94 0.39 -0.67 2.12 -1.24 -4.94 118.70 113.67 2b8a s GLU 32 Ca 0.00 0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.50 2b8a s GLU 32 Cb 0.00 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 2b8a s GLU 32 CO 0.00 -0.31 0.61 -1.64 -0.54 0.00 0.00 175.26 173.38 2b8a s MET 33 N -1.36 3.38 -0.43 4.30 -1.94 -1.26 -3.34 119.30 118.65 2b8a s MET 33 Ca -0.07 -0.32 -0.24 0.00 -1.71 0.00 0.00 55.69 53.35 2b8a s MET 33 Cb -0.00 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.26 2b8a s MET 33 CO 0.06 -0.00 0.83 -1.25 -0.01 0.00 0.00 175.02 174.64 2b8a s PRO 34 N -4.43 3.53 0.00 2.03 0.04 -1.26 -4.89 135.00 130.03 2b8a s PRO 34 Ca 0.43 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2b8a s PRO 34 Cb -0.10 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.54 2b8a s PRO 34 CO 0.37 -1.08 0.00 -0.85 0.04 0.00 0.00 177.00 175.49 2b8a n GLU 35 N 6.77 0.00 0.02 4.56 0.00 -1.26 -4.99 120.64 125.74 2b8a n GLU 35 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2b8a n GLU 35 Cb 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 31.44 31.60 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2b8a n ALA 36 N -3.00 0.00 -2.67 -1.84 0.00 -1.26 -5.05 120.51 106.69 2b8a n ALA 36 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2b8a n ALA 36 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.44 -3.45 -2.05 0.00 0.00 -1.26 -4.62 120.51 106.70 2b8a n ALA 37 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2b8a n ALA 37 Cb 0.00 -3.10 -0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 1.76 0.00 0.00 0.00 0.24 -1.26 -5.01 118.33 114.06 2b8a n VAL 38 Ca 0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2b8a n VAL 38 Cb 0.69 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 0.05 0.00 -1.66 7.34 4.76 -1.26 -5.06 118.16 122.33 2b8a n LYS 39 Ca -0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2b8a n LYS 39 Cb 0.70 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.88 2b8a n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2b8a n SER 40 N -1.06 -0.15 -3.73 4.39 2.88 -1.26 -5.14 113.62 109.55 2b8a n SER 40 Ca 0.00 -1.08 -0.20 0.00 -1.33 0.00 0.00 58.87 56.26 2b8a n SER 40 Cb 0.00 0.14 -0.17 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.00 0.11 -0.06 2.46 -4.23 -1.26 -5.05 115.64 107.61 2b8a s THR 41 Ca 0.00 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 2b8a s THR 41 Cb 0.00 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.50 2b8a s THR 41 CO -0.00 0.20 0.33 0.00 -0.54 0.00 0.00 174.62 174.61 2b8a h ALA 42 N 8.15 -0.29 -0.22 3.99 0.00 -2.01 -3.39 119.26 125.49 2b8a h ALA 42 Ca -0.21 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2b8a h ALA 42 Cb 1.12 0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 2b8a h ALA 42 CO 0.26 -0.27 -0.54 -1.71 0.00 0.00 0.00 179.25 176.99 2b8a n ASN 43 N -4.79 -1.20 -4.47 0.00 5.15 -1.26 -4.69 115.26 104.00 2b8a n ASN 43 Ca -0.03 -2.54 -0.33 0.00 -0.60 0.00 0.00 54.58 51.08 2b8a n ASN 43 Cb 0.11 0.70 -0.13 0.00 -0.53 0.00 0.00 39.78 39.93 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 -0.51 2.52 0.23 1.20 1.02 -1.26 -4.71 119.74 118.22 2b8a s LYS 44 Ca 0.23 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 2b8a s LYS 44 Cb 0.41 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2b8a s LYS 44 CO -0.06 0.61 0.44 0.71 -0.92 0.00 0.00 175.35 176.13 2b8a s TYR 45 N -0.71 3.48 -0.47 3.18 1.51 0.24 -4.32 117.35 120.27 2b8a s TYR 45 Ca 0.11 0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 56.38 2b8a s TYR 45 Cb -0.11 -1.90 0.05 0.00 -0.11 0.00 0.00 41.96 39.90 2b8a s TYR 45 CO 0.01 0.32 0.51 -0.65 -1.11 0.00 0.00 175.55 174.62 2b8a s GLN 46 N -3.46 3.08 -0.06 -0.62 -0.21 -1.21 -1.16 119.66 116.01 2b8a s GLN 46 Ca 0.40 -0.98 -0.04 0.00 0.02 0.00 0.00 55.36 54.76 2b8a s GLN 46 Cb -0.11 -4.07 -0.04 0.00 1.00 0.00 0.00 33.01 29.79 2b8a s GLN 46 CO 0.30 -1.06 0.14 0.08 -2.12 0.00 0.00 175.29 172.63 2b8a s VAL 47 N 2.21 5.33 -0.24 1.09 1.01 -0.22 -2.21 120.40 127.38 2b8a s VAL 47 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2b8a s VAL 47 Cb -0.20 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2b8a s VAL 47 CO 0.11 0.47 0.07 0.12 0.00 0.00 0.00 175.10 175.87 2b8a s PHE 48 N -1.16 3.11 -0.42 5.22 5.36 -0.66 -2.33 117.98 127.10 2b8a s PHE 48 Ca 0.21 -0.33 -0.18 0.00 -0.96 0.00 0.00 56.93 55.66 2b8a s PHE 48 Cb -0.12 -2.20 0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2b8a s PHE 48 CO 0.11 -0.26 0.51 -0.06 -1.46 0.00 0.00 175.22 174.05 2b8a s PHE 49 N 1.37 3.14 1.39 10.12 0.08 0.14 -2.22 117.98 132.00 2b8a s PHE 49 Ca 0.05 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 56.63 2b8a s PHE 49 Cb -0.15 -3.05 0.35 0.00 -0.57 0.00 0.00 43.02 39.61 2b8a s PHE 49 CO 0.03 -0.75 0.80 1.19 -0.10 0.00 0.00 175.22 176.40 2b8a n PHE 50 N 5.83 -3.63 0.00 0.36 3.72 -1.04 0.54 117.46 123.24 2b8a n PHE 50 Ca -0.05 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 2b8a n PHE 50 Cb 0.48 -1.23 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 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 -5.20 0.76 0.10 1.37 0.00 -1.26 -3.34 105.19 97.63 2b8a n GLY 51 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.86 -2.99 2.61 -2.24 -1.24 -4.82 114.28 106.46 2b8a n THR 52 Ca 0.00 -0.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.98 2b8a n THR 52 Cb 0.00 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.75 -1.73 -3.44 4.78 -0.00 0.19 -5.01 115.22 107.27 2b8a n HIS 53 Ca -0.06 0.51 -0.26 0.00 -0.00 0.00 0.00 57.72 57.92 2b8a n HIS 53 Cb 0.70 -3.84 -0.02 0.00 -0.00 0.00 0.00 29.99 26.82 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 -5.60 3.54 0.06 -0.41 2.02 -0.85 -4.82 118.70 112.64 2b8a s GLU 54 Ca 0.30 -0.23 0.05 0.00 0.02 0.00 0.00 54.97 55.10 2b8a s GLU 54 Cb -0.13 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2b8a s GLU 54 CO 0.37 0.23 -0.13 -0.08 0.02 0.00 0.00 175.26 175.67 2b8a s THR 55 N -2.14 0.99 0.27 3.63 -1.32 -1.26 0.27 115.64 116.09 2b8a s THR 55 Ca 0.41 -1.26 -0.15 0.00 -1.21 0.00 0.00 61.69 59.48 2b8a s THR 55 Cb -0.10 -0.97 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 2b8a s THR 55 CO 0.32 -0.26 0.57 0.00 -2.21 0.00 0.00 174.62 173.05 2b8a s ALA 56 N -1.29 -0.52 -0.83 11.08 0.00 -0.98 -4.99 121.76 124.23 2b8a s ALA 56 Ca -0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 2b8a s ALA 56 Cb -0.10 0.99 0.21 0.00 0.00 0.00 0.00 23.12 24.22 2b8a s ALA 56 CO 0.02 -0.92 0.73 -0.06 0.00 0.00 0.00 175.76 175.53 2b8a s PHE 57 N -3.85 3.76 0.22 0.00 0.40 -1.25 -1.06 117.98 116.20 2b8a s PHE 57 Ca 0.19 -2.54 0.02 0.00 -0.60 0.00 0.00 56.93 54.00 2b8a s PHE 57 Cb -0.03 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 2b8a s PHE 57 CO 0.09 -0.89 0.37 -0.51 0.70 0.00 0.00 175.22 174.99 2b8a s LEU 58 N -0.45 4.25 0.57 -0.37 1.43 -0.31 -4.68 118.68 119.12 2b8a s LEU 58 Ca 0.22 0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2b8a s LEU 58 Cb -0.13 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 43.10 2b8a s LEU 58 CO -0.08 -0.06 0.80 -0.83 0.23 0.00 0.00 176.35 176.42 2b8a s GLY 59 N -3.52 1.78 0.57 -3.19 0.00 -1.26 -0.59 107.32 101.11 2b8a s GLY 59 Ca 0.36 -1.23 0.35 0.00 0.00 0.00 0.00 44.72 44.20 2b8a s GLY 59 CO 0.30 -0.94 2.07 -0.56 0.00 0.00 0.00 173.10 173.97 2b8a h PRO 60 N -0.01 0.00 0.00 2.90 0.13 -1.93 -2.46 132.00 130.63 2b8a h PRO 60 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2b8a h PRO 60 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2b8a h PRO 60 CO 0.54 0.03 -0.29 1.57 -0.23 0.00 0.00 178.00 179.62 2b8a h LYS 61 N 0.00 0.00 -0.68 0.86 5.09 -1.97 -2.02 116.57 117.84 2b8a h LYS 61 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2b8a h LYS 61 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.73 2b8a h LYS 61 CO 0.00 0.29 0.00 -0.25 -2.09 0.00 0.00 179.45 177.41 2b8a n ASP 62 N -3.88 4.35 -4.60 7.07 8.00 -0.93 -4.92 116.55 121.65 2b8a n ASP 62 Ca -0.02 -2.23 -0.34 0.00 0.71 0.00 0.00 54.79 52.91 2b8a n ASP 62 Cb 0.37 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 2b8a n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2b8a s LEU 63 N -1.43 3.34 0.08 0.64 1.02 -0.76 -2.09 118.68 119.48 2b8a s LEU 63 Ca 0.50 0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.68 2b8a s LEU 63 Cb 0.29 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 2b8a s LEU 63 CO 0.29 0.32 -0.07 -0.36 0.02 0.00 0.00 176.35 176.55 2b8a s PHE 64 N -0.54 0.82 -0.33 0.29 0.40 -0.81 -4.93 117.98 112.88 2b8a s PHE 64 Ca 0.09 -0.85 -0.29 0.00 -0.60 0.00 0.00 56.93 55.28 2b8a s PHE 64 Cb -0.12 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 2b8a s PHE 64 CO 0.02 -0.15 1.57 -2.14 0.70 0.00 0.00 175.22 175.21 2b8a s PRO 65 N -3.43 3.58 0.14 0.24 0.02 -1.26 -1.05 135.00 133.24 2b8a s PRO 65 Ca 0.07 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 62.06 2b8a s PRO 65 Cb 0.03 -4.07 -0.07 0.00 0.02 0.00 0.00 34.50 30.41 2b8a s PRO 65 CO -0.04 -1.56 1.55 -0.92 -0.33 0.00 0.00 177.00 175.71 2b8a h TYR 66 N 11.26 -1.59 -1.00 6.54 3.20 -1.73 -0.10 116.97 133.55 2b8a h TYR 66 Ca -0.31 0.08 0.20 0.00 3.14 0.00 0.00 58.73 61.85 2b8a h TYR 66 Cb 1.13 0.76 -0.11 0.00 1.54 0.00 0.00 36.73 40.06 2b8a h TYR 66 CO 0.94 -0.47 0.61 0.93 -1.64 0.00 0.00 178.16 178.54 2b8a h GLU 67 N -0.35 0.69 -0.33 1.82 3.07 -1.91 1.31 114.58 118.87 2b8a h GLU 67 Ca 0.10 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.75 2b8a h GLU 67 Cb 0.58 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2b8a h GLU 67 CO -0.62 0.46 -0.48 0.93 -1.40 0.00 0.00 179.01 177.90 2b8a h GLU 68 N 0.71 0.90 -0.54 2.33 4.39 -1.52 -3.25 114.58 117.61 2b8a h GLU 68 Ca 0.58 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2b8a h GLU 68 Cb 0.97 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2b8a h GLU 68 CO -0.38 1.17 0.00 0.43 -1.16 0.00 0.00 179.01 179.07 2b8a n SER 69 N -4.03 3.62 -0.05 1.42 7.64 -0.21 -4.59 113.62 117.42 2b8a n SER 69 Ca -0.03 -2.11 -0.08 0.00 1.01 0.00 0.00 58.87 57.66 2b8a n SER 69 Cb 0.59 -0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 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 3.17 0.06 0.00 1.43 3.64 0.16 0.78 116.57 125.82 2b8a h LYS 70 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2b8a h LYS 70 Cb 0.96 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2b8a h LYS 70 CO 0.04 0.04 -0.29 0.93 -2.27 0.00 0.00 179.45 177.90 2b8a h GLU 71 N 0.06 0.00 0.06 1.90 4.39 -1.81 1.21 114.58 120.39 2b8a h GLU 71 Ca 0.11 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 2b8a h GLU 71 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2b8a h GLU 71 CO -0.18 0.29 -0.97 0.87 -1.16 0.00 0.00 179.01 177.85 2b8a h LYS 72 N 0.00 0.13 0.00 2.33 1.57 -1.64 -3.39 116.57 115.56 2b8a h LYS 72 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2b8a h LYS 72 Cb 0.70 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2b8a h LYS 72 CO 0.04 1.10 -1.29 1.19 -0.57 0.00 0.00 179.45 179.92 2b8a n PHE 73 N -4.24 0.01 -1.87 -1.35 3.72 0.26 -4.72 117.46 109.28 2b8a n PHE 73 Ca -0.22 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 2b8a n PHE 73 Cb 0.73 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.43 4.24 3.23 1.37 0.00 0.42 -4.87 105.19 111.00 2b8a n GLY 74 Ca 0.02 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 3.12 0.73 0.71 1.61 1.02 -1.26 -4.82 119.74 120.85 2b8a s LYS 75 Ca 0.47 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.87 2b8a s LYS 75 Cb 0.13 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.71 2b8a s LYS 75 CO -0.07 -0.22 0.54 -2.30 -0.92 0.00 0.00 175.35 172.39 2b8a n PRO 76 N 0.85 0.33 -4.20 -1.68 -0.02 -1.26 -4.82 135.00 124.21 2b8a n PRO 76 Ca -0.20 0.15 -0.12 0.00 -2.02 0.00 0.00 63.50 61.32 2b8a n PRO 76 Cb 0.58 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 2b8a n PRO 76 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2b8a s ASN 77 N -1.45 0.95 0.26 2.55 3.04 -1.26 -5.01 114.94 114.02 2b8a s ASN 77 Ca 0.66 -1.14 0.25 0.00 0.04 0.00 0.00 52.86 52.67 2b8a s ASN 77 Cb -0.36 0.16 0.57 0.00 -1.54 0.00 0.00 41.25 40.08 2b8a s ASN 77 CO 0.57 -0.59 1.62 0.11 -3.04 0.00 0.00 177.10 175.78 2b8a h LYS 78 N 2.81 0.00 0.00 0.43 6.56 -2.03 -3.22 116.57 121.13 2b8a h LYS 78 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2b8a h LYS 78 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2b8a h LYS 78 CO 0.62 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 178.01 2b8a h ARG 79 N 0.00 0.00 -3.42 3.15 2.47 -1.98 -3.48 114.38 111.12 2b8a h ARG 79 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2b8a h ARG 79 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 2b8a h ARG 79 CO 0.00 0.00 -0.84 1.63 0.56 0.00 0.00 179.97 181.32 2b8a n LYS 80 N -2.39 -4.21 0.00 0.04 4.76 -1.22 -4.75 118.16 110.39 2b8a n LYS 80 Ca -0.00 3.14 0.00 0.00 -2.87 0.00 0.00 58.31 58.58 2b8a n LYS 80 Cb 0.13 -3.54 0.00 0.00 -1.84 0.00 0.00 35.03 29.78 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 -0.95 2.75 0.32 0.72 0.00 -1.26 -4.89 105.19 101.89 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 -0.74 -0.63 1.61 3.04 -1.88 -2.83 116.94 115.51 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 0.27 -0.07 0.00 2.56 0.00 0.00 35.95 38.70 2b8a h PHE 82 CO 0.00 -0.43 0.24 0.77 -2.02 0.00 0.00 178.31 176.87 2b8a h SER 83 N -0.70 0.23 -1.09 0.41 0.02 -1.90 0.61 113.55 111.14 2b8a h SER 83 Ca -0.05 0.08 0.31 0.00 -0.84 0.00 0.00 61.79 61.29 2b8a h SER 83 Cb 0.58 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 2b8a h SER 83 CO 0.05 0.13 0.76 -0.33 -1.14 0.00 0.00 176.83 176.30 2b8a h GLU 84 N 0.42 0.10 -0.03 3.45 3.07 -1.89 0.82 114.58 120.51 2b8a h GLU 84 Ca 0.32 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 59.02 2b8a h GLU 84 Cb 0.40 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2b8a h GLU 84 CO -0.32 0.07 -0.67 0.78 -1.40 0.00 0.00 179.01 177.47 2b8a h GLY 85 N 0.10 0.17 1.00 -3.84 0.00 -0.74 -3.02 103.07 96.74 2b8a h GLY 85 Ca 0.54 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 2b8a h GLY 85 CO -0.08 0.20 0.35 1.41 0.00 0.00 0.00 176.54 178.42 2b8a h LEU 86 N 0.11 0.72 -0.35 3.11 3.38 0.77 -1.08 115.31 121.96 2b8a h LEU 86 Ca -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2b8a h LEU 86 Cb 1.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2b8a h LEU 86 CO 0.10 0.57 0.13 -0.25 0.09 0.00 0.00 178.44 179.08 2b8a h TRP 87 N 0.80 0.55 0.09 1.13 7.01 -1.48 -3.02 115.95 121.03 2b8a h TRP 87 Ca 0.21 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 2b8a h TRP 87 Cb -0.01 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 2b8a h TRP 87 CO -0.02 0.52 -0.04 0.93 -2.79 0.00 0.00 178.44 177.03 2b8a h GLU 88 N 0.42 -0.12 -0.45 2.65 3.07 -1.37 0.75 114.58 119.54 2b8a h GLU 88 Ca 0.12 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.12 2b8a h GLU 88 Cb 0.21 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2b8a h GLU 88 CO -0.01 0.03 0.48 0.97 -1.40 0.00 0.00 179.01 179.08 2b8a h ILE 89 N -0.24 0.38 0.00 3.13 2.10 -1.19 1.15 117.51 122.84 2b8a h ILE 89 Ca -0.01 0.00 -0.43 0.00 1.08 0.00 0.00 64.86 65.50 2b8a h ILE 89 Cb 0.20 0.62 -0.07 0.00 -1.09 0.00 0.00 36.82 36.48 2b8a h ILE 89 CO 0.02 0.00 -2.52 -0.62 -1.08 0.00 0.00 178.15 173.95 2b8a n GLU 90 N -3.73 0.62 0.08 2.19 1.02 -0.97 -4.12 120.64 115.72 2b8a n GLU 90 Ca 0.08 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.31 2b8a n GLU 90 Cb 0.66 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.48 0.19 -1.36 1.62 2.35 0.85 -3.43 115.58 115.33 2b8a h ASN 91 Ca -0.64 -0.21 -0.20 0.00 -0.55 0.00 0.00 56.30 54.70 2b8a h ASN 91 Cb 1.77 -0.06 -0.23 0.00 0.05 0.00 0.00 38.32 39.84 2b8a h ASN 91 CO -0.25 1.17 -0.56 0.20 -1.65 0.00 0.00 177.43 176.34 2b8a s ASN 92 N -6.89 -0.55 0.11 5.81 -0.87 0.39 -5.00 114.94 107.95 2b8a s ASN 92 Ca -0.02 -1.31 0.27 0.00 -1.57 0.00 0.00 52.86 50.23 2b8a s ASN 92 Cb 0.09 1.40 1.00 0.00 -0.02 0.00 0.00 41.25 43.72 2b8a s ASN 92 CO 0.85 -0.18 1.84 -0.81 -2.57 0.00 0.00 177.10 176.23 2b8a n PRO 93 N 4.03 0.14 -0.43 -0.60 -0.04 -1.04 -3.29 135.00 133.77 2b8a n PRO 93 Ca 0.13 0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 2b8a n PRO 93 Cb 0.53 -1.67 0.29 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.91 1.43 -2.03 0.52 -2.24 -1.26 -4.96 114.28 103.83 2b8a n THR 94 Ca 0.06 -1.15 -0.36 0.00 -2.27 0.00 0.00 64.05 60.33 2b8a n THR 94 Cb 0.38 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.48 2.66 0.19 2.28 0.11 -1.21 -5.05 120.40 117.91 2b8a s VAL 95 Ca 0.43 0.42 0.02 0.00 -2.93 0.00 0.00 61.98 59.92 2b8a s VAL 95 Cb 0.26 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 31.88 2b8a s VAL 95 CO 0.24 -0.07 0.03 -0.54 -3.33 0.00 0.00 175.10 171.42 2b8a s LYS 96 N -3.23 1.18 0.91 1.54 1.02 -1.26 -5.12 119.74 114.78 2b8a s LYS 96 Ca 0.75 -1.59 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 2b8a s LYS 96 Cb -0.31 -0.25 0.19 0.00 -0.52 0.00 0.00 37.83 36.94 2b8a s LYS 96 CO 0.34 -0.18 1.25 0.00 -0.92 0.00 0.00 175.35 175.84 2b8a s ALA 97 N -3.70 2.58 0.61 5.17 0.00 -1.26 -4.95 121.76 120.21 2b8a s ALA 97 Ca 0.27 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2b8a s ALA 97 Cb 0.06 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2b8a s ALA 97 CO 0.06 -2.24 0.00 0.43 0.00 0.00 0.00 175.76 174.02 2b8a n SER 98 N -3.56 -8.26 0.00 0.00 7.64 -1.26 -5.06 113.62 103.12 2b8a n SER 98 Ca 0.16 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.43 2b8a n SER 98 Cb 0.60 -5.03 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 2b8a n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b8a n GLY 99 N -4.39 -0.03 2.96 0.23 0.00 -1.26 -5.13 105.19 97.57 2b8a n GLY 99 Ca -0.08 0.44 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 2b8a n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b8a s TYR 100 N 0.00 3.35 0.21 1.61 2.02 -1.26 -4.96 117.35 118.32 2b8a s TYR 100 Ca 0.00 -2.80 -0.04 0.00 -0.37 0.00 0.00 57.07 53.86 2b8a s TYR 100 Cb 0.00 -2.70 0.16 0.00 -0.40 0.00 0.00 41.96 39.02 2b8a s TYR 100 CO 0.00 -0.92 1.60 1.96 -1.57 0.00 0.00 175.55 176.62 2b8a h GLN 101 N 7.60 0.74 -3.88 -0.62 4.20 -2.05 -3.37 115.11 117.73 2b8a h GLN 101 Ca -0.06 -0.33 -0.71 0.00 0.06 0.00 0.00 58.65 57.61 2b8a h GLN 101 Cb 1.01 -0.02 -0.33 0.00 0.30 0.00 0.00 27.48 28.44 2b8a h GLN 101 CO 0.52 0.94 -0.35 -1.54 -0.67 0.00 0.00 178.83 177.73 2b8a s SER 102 N -6.79 5.46 -0.07 1.46 1.04 -1.26 -5.04 113.70 108.51 2b8a s SER 102 Ca -0.09 -2.56 -0.03 0.00 0.48 0.00 0.00 55.95 53.75 2b8a s SER 102 Cb 0.13 -1.91 0.04 0.00 0.10 0.00 0.00 66.02 64.38 2b8a s SER 102 CO 0.84 -0.47 0.14 -0.94 0.98 0.00 0.00 173.24 173.79 2b8a s SER 103 N 1.32 0.03 0.08 7.02 1.04 -1.26 -5.05 113.70 116.89 2b8a s SER 103 Ca 0.14 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2b8a s SER 103 Cb -0.20 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2b8a s SER 103 CO -0.04 -0.16 0.00 0.00 0.98 0.00 0.00 173.24 174.02 2b8a n GLN 104 N 4.38 -5.11 -2.51 4.02 3.00 -1.26 -4.88 117.38 115.01 2b8a n GLN 104 Ca -0.23 3.70 -0.05 0.00 -0.01 0.00 0.00 57.00 60.41 2b8a n GLN 104 Cb 0.51 -4.38 -0.04 0.00 0.00 0.00 0.00 30.24 26.33 2b8a n GLN 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2b8a n LYS 105 N 1.78 -4.58 -1.48 -1.09 0.00 -1.26 -4.94 118.16 106.59 2b8a n LYS 105 Ca 0.00 3.44 -0.34 0.00 0.00 0.00 0.00 58.31 61.41 2b8a n LYS 105 Cb 0.00 -4.90 0.09 0.00 0.00 0.00 0.00 35.03 30.22 2b8a n LYS 105 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2b8a s LYS 106 N -0.68 2.24 0.55 1.64 3.01 -1.26 -5.05 119.74 120.19 2b8a s LYS 106 Ca -0.24 1.68 0.04 0.00 -1.01 0.00 0.00 55.97 56.44 2b8a s LYS 106 Cb 0.02 -1.85 0.03 0.00 -1.01 0.00 0.00 37.83 35.02 2b8a s LYS 106 CO 0.65 -1.74 0.34 0.45 0.51 0.00 0.00 175.35 175.55 2b8a s SER 107 N -2.16 4.53 -0.07 2.83 0.15 -1.26 -5.07 113.70 112.65 2b8a s SER 107 Ca 0.73 -1.34 0.03 0.00 0.70 0.00 0.00 55.95 56.06 2b8a s SER 107 Cb -0.27 0.50 0.09 0.00 -1.71 0.00 0.00 66.02 64.62 2b8a s SER 107 CO 0.45 -1.09 0.66 0.00 1.20 0.00 0.00 173.24 174.45 2b8a n ALA 109 N -0.32 -3.20 0.28 0.00 0.00 -1.26 -5.39 120.51 110.61 2b8a n ALA 109 Ca -0.08 1.90 0.03 0.00 0.00 0.00 0.00 53.44 55.30 2b8a n ALA 109 Cb 0.54 -3.87 0.03 0.00 0.00 0.00 0.00 19.45 16.15 2b8a n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59