#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 0.00 -2.38 7.83 7.64 -1.26 -5.11 113.62 120.34 2b8a n SER 2 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2b8a n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2b8a n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2b8a n ARG 3 N 0.00 -3.55 0.12 1.43 3.00 -1.26 -5.05 116.66 111.35 2b8a n ARG 3 Ca 0.00 2.79 0.00 0.00 -0.01 0.00 0.00 57.85 60.63 2b8a n ARG 3 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 32.46 28.18 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 1.24 0.02 -4.16 0.55 7.64 -1.26 -5.02 113.62 112.63 2b8a n SER 4 Ca -0.29 0.39 -0.38 0.00 1.01 0.00 0.00 58.87 59.59 2b8a n SER 4 Cb 0.45 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.82 2b8a n SER 4 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2b8a s ASN 5 N -5.15 5.49 0.05 6.43 3.04 -1.26 -5.07 114.94 118.47 2b8a s ASN 5 Ca 0.00 -2.21 -0.31 0.00 0.04 0.00 0.00 52.86 50.39 2b8a s ASN 5 Cb 0.00 -1.92 -0.07 0.00 -1.54 0.00 0.00 41.25 37.72 2b8a s ASN 5 CO 0.00 -0.56 1.50 -0.60 -3.04 0.00 0.00 177.10 174.40 2b8a s ARG 6 N 0.90 4.25 -0.28 0.43 3.52 -1.26 -4.99 118.95 121.52 2b8a s ARG 6 Ca 0.10 2.13 -0.16 0.00 -0.13 0.00 0.00 55.73 57.67 2b8a s ARG 6 Cb -0.23 -3.52 0.09 0.00 -1.56 0.00 0.00 34.95 29.73 2b8a s ARG 6 CO -0.03 -0.62 0.74 -1.14 -0.81 0.00 0.00 175.30 173.44 2b8a s GLN 7 N 2.27 0.65 -0.28 5.12 -0.44 -1.26 -5.13 119.66 120.60 2b8a s GLN 7 Ca 0.68 1.12 -0.23 0.00 -2.50 0.00 0.00 55.36 54.44 2b8a s GLN 7 Cb -0.36 0.13 0.12 0.00 -1.64 0.00 0.00 33.01 31.27 2b8a s GLN 7 CO 0.29 -0.14 0.98 0.21 0.50 0.00 0.00 175.29 177.13 2b8a s LYS 8 N 1.56 0.52 0.02 1.67 2.20 -1.26 -5.17 119.74 119.28 2b8a s LYS 8 Ca -0.10 0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 56.12 2b8a s LYS 8 Cb -0.05 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 2b8a s LYS 8 CO -0.19 -0.07 0.30 -1.83 -0.36 0.00 0.00 175.35 173.20 2b8a s GLU 9 N 0.55 3.64 0.25 4.03 -1.05 -1.26 -5.01 118.70 119.85 2b8a s GLU 9 Ca -0.00 0.01 0.10 0.00 -0.15 0.00 0.00 54.97 54.93 2b8a s GLU 9 Cb -0.05 -3.07 -0.04 0.00 -0.44 0.00 0.00 34.13 30.53 2b8a s GLU 9 CO -0.08 0.64 -0.04 0.71 0.95 0.00 0.00 175.26 177.44 2b8a s TYR 10 N -1.30 2.65 0.10 4.83 2.02 -1.26 -5.15 117.35 119.25 2b8a s TYR 10 Ca 0.28 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 2b8a s TYR 10 Cb -0.14 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2b8a s TYR 10 CO 0.16 0.62 -0.08 0.15 -1.57 0.00 0.00 175.55 174.82 2b8a s LYS 11 N -3.53 0.86 0.11 -0.62 -0.14 -1.26 -5.09 119.74 110.06 2b8a s LYS 11 Ca 0.30 -1.26 -0.35 0.00 -1.36 0.00 0.00 55.97 53.30 2b8a s LYS 11 Cb -0.07 -0.39 -0.15 0.00 -1.68 0.00 0.00 37.83 35.54 2b8a s LYS 11 CO 0.19 0.03 1.49 0.00 -0.76 0.00 0.00 175.35 176.30 2b8a n GLY 13 N 3.08 1.75 3.76 0.00 0.00 -0.33 -4.98 105.19 108.47 2b8a n GLY 13 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.52 6.96 -0.27 1.61 1.01 -0.50 -4.73 116.67 119.24 2b8a s ASP 14 Ca 0.00 2.47 -0.18 0.00 0.71 0.00 0.00 52.55 55.54 2b8a s ASP 14 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2b8a s ASP 14 CO 0.00 -0.41 0.54 -0.76 0.21 0.00 0.00 175.17 174.75 2b8a s LEU 15 N -1.14 4.07 0.22 1.23 1.43 -1.26 -1.21 118.68 122.02 2b8a s LEU 15 Ca 0.50 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2b8a s LEU 15 Cb -0.36 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2b8a s LEU 15 CO 0.45 -0.32 0.17 0.68 0.23 0.00 0.00 176.35 177.56 2b8a s VAL 16 N 2.37 0.00 -0.10 -1.59 -7.23 -0.24 -1.90 120.40 111.71 2b8a s VAL 16 Ca 0.22 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2b8a s VAL 16 Cb -0.16 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2b8a s VAL 16 CO 0.09 0.00 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.47 2b8a s PHE 17 N -4.04 2.98 -0.18 2.82 0.08 0.68 -0.70 117.98 119.62 2b8a s PHE 17 Ca 0.38 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.33 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 0.14 0.22 -0.09 0.00 -0.10 0.00 0.00 175.22 175.39 2b8a s ALA 18 N -0.44 2.72 -0.10 5.36 0.00 -0.92 -1.44 121.76 126.95 2b8a s ALA 18 Ca 0.07 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2b8a s ALA 18 Cb -0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2b8a s ALA 18 CO 0.02 -0.12 0.46 0.21 0.00 0.00 0.00 175.76 176.34 2b8a s LYS 19 N 0.95 4.28 0.06 0.00 2.47 -0.51 -1.48 119.74 125.51 2b8a s LYS 19 Ca -0.01 0.44 0.06 0.00 -1.56 0.00 0.00 55.97 54.90 2b8a s LYS 19 Cb -0.15 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.80 2b8a s LYS 19 CO -0.00 0.25 -0.16 -1.64 0.16 0.00 0.00 175.35 173.96 2b8a s MET 20 N 0.33 0.97 -0.16 4.03 -1.94 -1.24 -4.92 119.30 116.37 2b8a s MET 20 Ca 0.25 -0.89 -0.29 0.00 -1.71 0.00 0.00 55.69 53.06 2b8a s MET 20 Cb -0.15 -1.02 -0.04 0.00 2.01 0.00 0.00 34.83 35.62 2b8a s MET 20 CO 0.11 0.24 1.81 0.21 -0.01 0.00 0.00 175.02 177.38 2b8a s LYS 21 N -1.42 3.75 0.00 2.03 2.47 -1.26 -1.76 119.74 123.55 2b8a s LYS 21 Ca 0.02 1.95 0.00 0.00 -1.56 0.00 0.00 55.97 56.38 2b8a s LYS 21 Cb -0.09 -4.13 0.00 0.00 -1.46 0.00 0.00 37.83 32.16 2b8a s LYS 21 CO 0.02 -1.36 0.00 0.41 0.16 0.00 0.00 175.35 174.58 2b8a n GLY 22 N 4.83 0.72 3.32 5.54 0.00 -1.26 -5.07 105.19 113.26 2b8a n GLY 22 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.27 0.75 1.61 2.02 -0.72 -5.11 117.35 113.63 2b8a s TYR 23 Ca 0.00 0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.86 2b8a s TYR 23 Cb 0.00 0.20 0.05 0.00 -0.40 0.00 0.00 41.96 41.81 2b8a s TYR 23 CO 0.00 -0.54 1.12 -1.25 -1.57 0.00 0.00 175.55 173.31 2b8a s PRO 24 N -2.21 2.38 -0.34 -1.71 0.04 -1.26 -3.72 135.00 128.17 2b8a s PRO 24 Ca -0.07 0.21 -0.39 0.00 0.04 0.00 0.00 61.00 60.78 2b8a s PRO 24 Cb -0.01 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 2b8a s PRO 24 CO -0.01 -1.30 1.95 0.72 0.04 0.00 0.00 177.00 178.40 2b8a n HIS 25 N -3.12 1.77 -3.68 0.56 8.25 -1.26 -4.61 115.22 113.12 2b8a n HIS 25 Ca 0.07 0.51 -0.35 0.00 -0.26 0.00 0.00 57.72 57.69 2b8a n HIS 25 Cb 0.59 -2.45 -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 5.15 3.43 -0.08 4.41 -0.11 -0.55 -4.83 118.94 126.36 2b8a s TRP 26 Ca 1.06 0.41 -0.34 0.00 1.22 0.00 0.00 56.10 58.45 2b8a s TRP 26 Cb -1.08 -2.20 -0.12 0.00 -1.50 0.00 0.00 33.47 28.57 2b8a s TRP 26 CO 0.61 0.29 1.85 -0.35 -4.62 0.00 0.00 176.95 174.74 2b8a n PRO 27 N 3.48 2.15 -4.17 5.86 -0.04 -1.26 -2.16 135.00 138.85 2b8a n PRO 27 Ca -0.15 0.79 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 2b8a n PRO 27 Cb 0.52 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.82 1.13 0.04 0.55 0.00 0.12 -2.36 121.76 125.07 2b8a s ALA 28 Ca 0.92 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2b8a s ALA 28 Cb -0.70 1.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 2b8a s ALA 28 CO 0.51 -0.71 0.06 0.50 0.00 0.00 0.00 175.76 176.13 2b8a s ARG 29 N -3.56 0.58 0.14 0.00 3.52 -0.90 -1.08 118.95 117.65 2b8a s ARG 29 Ca 0.35 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 2b8a s ARG 29 Cb 0.02 0.22 -0.06 0.00 -1.56 0.00 0.00 34.95 33.57 2b8a s ARG 29 CO 0.20 -0.14 1.00 0.42 -0.81 0.00 0.00 175.30 175.96 2b8a s ILE 30 N -2.83 4.31 0.00 4.11 -1.09 -0.35 -0.91 121.20 124.44 2b8a s ILE 30 Ca -0.03 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2b8a s ILE 30 Cb 0.00 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2b8a s ILE 30 CO -0.06 0.32 0.00 -0.67 -1.23 0.00 0.00 174.94 173.30 2b8a n ASP 31 N 2.60 3.50 -3.60 3.58 2.03 -0.61 -1.19 116.55 122.87 2b8a n ASP 31 Ca 0.02 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.26 2b8a n ASP 31 Cb 0.48 0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 41.55 2b8a n ASP 31 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2b8a s GLU 32 N -1.41 1.09 0.16 -0.67 0.41 -1.20 -4.94 118.70 112.15 2b8a s GLU 32 Ca 0.00 -0.50 -0.16 0.00 -0.41 0.00 0.00 54.97 53.90 2b8a s GLU 32 Cb 0.00 0.44 0.03 0.00 -1.78 0.00 0.00 34.13 32.82 2b8a s GLU 32 CO 0.00 -0.49 0.44 0.00 -0.49 0.00 0.00 175.26 174.72 2b8a s MET 33 N -3.34 1.20 0.31 1.61 0.23 -1.26 -2.56 119.30 115.49 2b8a s MET 33 Ca 0.07 -0.80 -0.28 0.00 -1.03 0.00 0.00 55.69 53.64 2b8a s MET 33 Cb -0.02 0.48 -0.13 0.00 -1.53 0.00 0.00 34.83 33.64 2b8a s MET 33 CO -0.05 -0.48 1.21 -2.30 -2.03 0.00 0.00 175.02 171.37 2b8a n PRO 34 N -0.27 1.86 0.00 3.16 -0.02 -1.26 -4.98 135.00 133.49 2b8a n PRO 34 Ca -0.13 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2b8a n PRO 34 Cb 0.63 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2b8a n PRO 34 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2b8a n GLU 35 N 0.79 0.00 0.00 -0.52 4.71 -1.26 -5.04 120.64 119.32 2b8a n GLU 35 Ca 0.07 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 2b8a n GLU 35 Cb 0.34 -0.48 0.00 0.00 -1.01 0.00 0.00 31.44 30.29 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2b8a n ALA 36 N -0.95 0.00 -3.02 0.62 0.00 -1.26 -5.06 120.51 110.84 2b8a n ALA 36 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2b8a n ALA 36 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2b8a n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b8a s ALA 37 N -1.03 -2.38 0.00 0.00 0.00 -1.26 -4.98 121.76 112.11 2b8a s ALA 37 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2b8a s ALA 37 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2b8a s ALA 37 CO 0.00 -2.24 0.70 1.33 0.00 0.00 0.00 175.76 175.55 2b8a n VAL 38 N 3.83 0.00 -1.30 0.00 0.24 -1.26 -5.15 118.33 114.69 2b8a n VAL 38 Ca 0.13 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.45 2b8a n VAL 38 Cb 0.57 0.27 -0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 0.00 -0.18 -2.64 7.34 5.02 -1.26 -4.75 118.16 121.68 2b8a n LYS 39 Ca 0.00 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.26 2b8a n LYS 39 Cb 0.59 -0.22 -0.00 0.00 -0.02 0.00 0.00 35.03 35.38 2b8a n LYS 39 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2b8a n SER 40 N -3.85 -3.99 -3.06 4.39 7.64 -1.26 -4.87 113.62 108.62 2b8a n SER 40 Ca 0.00 0.06 0.01 0.00 1.01 0.00 0.00 58.87 59.95 2b8a n SER 40 Cb 0.04 -3.37 -0.00 0.00 -1.01 0.00 0.00 64.21 59.87 2b8a n SER 40 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2b8a s THR 41 N -2.71 -0.74 0.00 0.44 -4.23 -1.26 -5.07 115.64 102.06 2b8a s THR 41 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2b8a s THR 41 Cb -0.05 0.00 0.00 0.00 1.34 0.00 0.00 72.50 73.79 2b8a s THR 41 CO 0.11 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.37 2b8a n ALA 42 N 4.15 -0.06 -2.73 3.99 0.00 -1.26 -4.86 120.51 119.75 2b8a n ALA 42 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 2b8a n ALA 42 Cb 0.59 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.22 -1.48 -4.00 0.00 5.15 -1.26 -5.07 115.26 107.37 2b8a n ASN 43 Ca 0.00 -2.81 -0.15 0.00 -0.60 0.00 0.00 54.58 51.03 2b8a n ASN 43 Cb 0.00 0.97 -0.13 0.00 -0.53 0.00 0.00 39.78 40.09 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 -0.31 0.47 0.24 1.20 1.02 -1.26 -4.74 119.74 116.36 2b8a s LYS 44 Ca 0.23 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 2b8a s LYS 44 Cb 0.38 -0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 2b8a s LYS 44 CO -0.06 0.09 0.46 0.71 -0.92 0.00 0.00 175.35 175.62 2b8a s TYR 45 N -0.67 3.48 -0.45 3.18 1.51 -0.16 -4.61 117.35 119.62 2b8a s TYR 45 Ca -0.03 0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.35 2b8a s TYR 45 Cb -0.05 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2b8a s TYR 45 CO 0.00 0.29 0.39 -1.14 -1.11 0.00 0.00 175.55 173.98 2b8a s GLN 46 N -3.40 3.00 0.08 -0.62 -0.44 -1.06 -1.57 119.66 115.65 2b8a s GLN 46 Ca 0.41 -1.17 0.02 0.00 -2.50 0.00 0.00 55.36 52.12 2b8a s GLN 46 Cb -0.11 -4.07 -0.04 0.00 -1.64 0.00 0.00 33.01 27.15 2b8a s GLN 46 CO 0.29 -0.95 0.13 0.14 0.50 0.00 0.00 175.29 175.41 2b8a s VAL 47 N 1.77 4.84 -0.22 1.34 -7.23 -0.66 -1.57 120.40 118.67 2b8a s VAL 47 Ca 0.06 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2b8a s VAL 47 Cb -0.22 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.33 2b8a s VAL 47 CO 0.09 0.11 0.06 0.12 -0.31 0.00 0.00 175.10 175.16 2b8a s PHE 48 N -1.46 3.14 -0.45 2.82 5.36 -0.09 -2.62 117.98 124.68 2b8a s PHE 48 Ca 0.31 -0.22 -0.20 0.00 -0.96 0.00 0.00 56.93 55.87 2b8a s PHE 48 Cb -0.12 -2.16 0.03 0.00 -0.34 0.00 0.00 43.02 40.43 2b8a s PHE 48 CO 0.24 -0.14 0.60 -0.06 -1.46 0.00 0.00 175.22 174.40 2b8a s PHE 49 N 1.06 3.08 1.40 10.12 0.08 0.12 -2.12 117.98 131.71 2b8a s PHE 49 Ca 0.04 -0.23 -0.22 0.00 0.12 0.00 0.00 56.93 56.64 2b8a s PHE 49 Cb -0.14 -3.30 0.36 0.00 -0.57 0.00 0.00 43.02 39.36 2b8a s PHE 49 CO 0.03 -0.88 0.94 -0.06 -0.10 0.00 0.00 175.22 175.15 2b8a s PHE 50 N 2.66 -0.47 0.00 0.36 0.08 -1.00 0.88 117.98 120.49 2b8a s PHE 50 Ca 0.19 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2b8a s PHE 50 Cb -0.16 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 2b8a s PHE 50 CO 0.16 -4.91 0.00 0.41 -0.10 0.00 0.00 175.22 170.79 2b8a n GLY 51 N 1.31 0.89 0.10 4.36 0.00 -1.25 -3.42 105.19 107.17 2b8a n GLY 51 Ca 0.12 -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 0.79 -3.03 2.61 -2.24 -1.24 -4.79 114.28 106.37 2b8a n THR 52 Ca 0.00 -0.61 -0.18 0.00 -2.27 0.00 0.00 64.05 60.99 2b8a n THR 52 Cb 0.00 -0.45 0.04 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 -2.71 -1.79 -3.26 4.78 -0.00 0.25 -5.00 115.22 107.49 2b8a n HIS 53 Ca -0.05 0.55 -0.28 0.00 -0.00 0.00 0.00 57.72 57.93 2b8a n HIS 53 Cb 0.68 -3.88 -0.03 0.00 -0.00 0.00 0.00 29.99 26.76 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 -5.65 3.63 -0.01 -0.41 2.02 -0.75 -4.82 118.70 112.70 2b8a s GLU 54 Ca 0.32 0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.40 2b8a s GLU 54 Cb -0.14 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2b8a s GLU 54 CO 0.39 0.16 -0.22 0.95 0.02 0.00 0.00 175.26 176.56 2b8a s THR 55 N -2.17 1.74 0.36 3.63 -4.23 -1.26 0.11 115.64 113.82 2b8a s THR 55 Ca 0.44 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.89 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 0.31 0.48 0.66 0.00 -0.54 0.00 0.00 174.62 175.53 2b8a s ALA 56 N -0.53 -0.18 -0.12 3.99 0.00 -1.08 -5.03 121.76 118.82 2b8a s ALA 56 Ca 0.08 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2b8a s ALA 56 Cb -0.08 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2b8a s ALA 56 CO -0.01 -0.91 -0.23 -0.06 0.00 0.00 0.00 175.76 174.55 2b8a s PHE 57 N -2.70 2.62 0.09 0.00 0.40 -1.26 -1.66 117.98 115.48 2b8a s PHE 57 Ca 0.21 -1.21 -0.00 0.00 -0.60 0.00 0.00 56.93 55.33 2b8a s PHE 57 Cb -0.03 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 2b8a s PHE 57 CO 0.15 -0.53 -0.01 -0.51 0.70 0.00 0.00 175.22 175.02 2b8a s LEU 58 N 0.61 2.28 0.64 -0.37 1.02 -0.61 -4.90 118.68 117.35 2b8a s LEU 58 Ca -0.12 -1.07 0.03 0.00 0.02 0.00 0.00 54.13 52.98 2b8a s LEU 58 Cb -0.17 0.16 0.10 0.00 0.02 0.00 0.00 46.19 46.30 2b8a s LEU 58 CO 0.03 -0.61 0.89 -0.83 0.02 0.00 0.00 176.35 175.85 2b8a s GLY 59 N -3.00 1.77 0.50 -3.19 0.00 -1.26 -0.99 107.32 101.16 2b8a s GLY 59 Ca 0.14 -1.77 0.26 0.00 0.00 0.00 0.00 44.72 43.35 2b8a s GLY 59 CO -0.05 -1.29 2.03 -0.56 0.00 0.00 0.00 173.10 173.23 2b8a h PRO 60 N -0.21 0.00 0.00 2.90 0.13 -1.91 -2.23 132.00 130.68 2b8a h PRO 60 Ca -0.36 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.42 0.14 -0.34 0.87 -0.23 0.00 0.00 178.00 178.87 2b8a h LYS 61 N 0.00 0.00 -0.52 0.86 1.79 -1.98 -2.61 116.57 114.11 2b8a h LYS 61 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2b8a h LYS 61 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2b8a h LYS 61 CO 0.02 0.34 0.00 -0.25 -1.08 0.00 0.00 179.45 178.48 2b8a n ASP 62 N -3.71 3.67 -4.45 0.86 9.92 -0.86 -4.91 116.55 117.06 2b8a n ASP 62 Ca -0.01 -2.00 -0.33 0.00 -0.53 0.00 0.00 54.79 51.93 2b8a n ASP 62 Cb 0.43 -0.34 -0.13 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.30 2.71 0.08 0.64 1.43 -0.99 -1.42 118.68 119.84 2b8a s LEU 63 Ca 0.43 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2b8a s LEU 63 Cb 0.24 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2b8a s LEU 63 CO 0.32 0.31 -0.06 -0.36 0.23 0.00 0.00 176.35 176.80 2b8a s PHE 64 N -0.52 0.77 -0.25 0.29 0.40 -0.52 -4.90 117.98 113.23 2b8a s PHE 64 Ca 0.07 -0.94 -0.29 0.00 -0.60 0.00 0.00 56.93 55.17 2b8a s PHE 64 Cb -0.12 -0.47 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 2b8a s PHE 64 CO 0.01 -0.22 1.61 -2.14 0.70 0.00 0.00 175.22 175.18 2b8a s PRO 65 N -3.76 3.72 0.09 0.24 0.02 -1.26 -0.23 135.00 133.82 2b8a s PRO 65 Ca 0.09 1.55 -0.35 0.00 0.02 0.00 0.00 61.00 62.31 2b8a s PRO 65 Cb 0.05 -4.05 -0.15 0.00 0.02 0.00 0.00 34.50 30.37 2b8a s PRO 65 CO -0.06 -1.38 1.57 -0.92 -0.33 0.00 0.00 177.00 175.87 2b8a h TYR 66 N 10.93 -1.41 -0.88 6.54 3.20 -1.66 0.18 116.97 133.86 2b8a h TYR 66 Ca -0.33 0.02 0.20 0.00 3.14 0.00 0.00 58.73 61.77 2b8a h TYR 66 Cb 1.15 0.57 -0.12 0.00 1.54 0.00 0.00 36.73 39.87 2b8a h TYR 66 CO 0.92 -0.63 0.41 0.93 -1.64 0.00 0.00 178.16 178.14 2b8a h GLU 67 N -0.89 0.44 -0.29 1.82 3.07 -1.92 2.36 114.58 119.18 2b8a h GLU 67 Ca -0.03 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.62 2b8a h GLU 67 Cb 0.82 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2b8a h GLU 67 CO -0.15 0.29 -0.53 1.49 -1.40 0.00 0.00 179.01 178.71 2b8a h GLU 68 N 0.46 0.86 -0.55 2.33 4.22 -1.84 -3.26 114.58 116.79 2b8a h GLU 68 Ca 0.54 -0.53 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2b8a h GLU 68 Cb 0.96 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2b8a h GLU 68 CO -0.49 1.17 0.00 0.43 -2.18 0.00 0.00 179.01 177.94 2b8a n SER 69 N -4.01 3.52 -0.22 1.04 7.64 0.59 -4.59 113.62 117.59 2b8a n SER 69 Ca -0.04 -2.04 -0.01 0.00 1.01 0.00 0.00 58.87 57.79 2b8a n SER 69 Cb 0.62 -0.38 0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 3.19 0.62 -0.13 1.43 2.10 0.39 0.50 116.57 124.67 2b8a h LYS 70 Ca 0.00 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.51 2b8a h LYS 70 Cb 0.90 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2b8a h LYS 70 CO 0.01 0.41 -0.38 0.93 -2.00 0.00 0.00 179.45 178.42 2b8a h GLU 71 N 0.64 0.29 0.14 0.07 4.39 -1.82 1.01 114.58 119.29 2b8a h GLU 71 Ca 0.30 -0.13 -0.26 0.00 0.34 0.00 0.00 59.36 59.60 2b8a h GLU 71 Cb 0.21 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2b8a h GLU 71 CO -0.20 0.63 -1.30 1.57 -1.16 0.00 0.00 179.01 178.55 2b8a h LYS 72 N 0.24 0.29 -0.00 2.33 2.10 -1.70 -3.38 116.57 116.46 2b8a h LYS 72 Ca 0.03 -0.50 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2b8a h LYS 72 Cb 0.78 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2b8a h LYS 72 CO 0.06 1.24 -0.79 1.19 -2.00 0.00 0.00 179.45 179.15 2b8a n PHE 73 N -3.93 0.00 -2.60 0.07 3.72 0.17 -4.71 117.46 110.18 2b8a n PHE 73 Ca -0.22 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.75 2b8a n PHE 73 Cb 0.91 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 1.47 3.94 3.23 1.37 0.00 0.35 -4.92 105.19 110.64 2b8a n GLY 74 Ca 0.06 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 1.38 0.88 0.69 1.61 -0.14 -1.26 -4.83 119.74 118.07 2b8a s LYS 75 Ca 0.43 -0.85 -0.17 0.00 -1.36 0.00 0.00 55.97 54.02 2b8a s LYS 75 Cb 0.04 0.37 0.01 0.00 -1.68 0.00 0.00 37.83 36.56 2b8a s LYS 75 CO 0.00 -0.29 1.17 -0.35 -0.76 0.00 0.00 175.35 175.12 2b8a n PRO 76 N 0.00 0.77 -4.33 -1.68 -0.04 -1.26 -4.81 135.00 123.65 2b8a n PRO 76 Ca -0.16 0.32 -0.17 0.00 -0.04 0.00 0.00 63.50 63.45 2b8a n PRO 76 Cb 0.62 -2.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 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 -1.57 1.29 0.10 3.54 0.01 -1.26 -5.04 114.94 112.00 2b8a s ASN 77 Ca 0.78 -1.39 0.23 0.00 -0.71 0.00 0.00 52.86 51.77 2b8a s ASN 77 Cb -0.36 0.16 0.14 0.00 0.41 0.00 0.00 41.25 41.60 2b8a s ASN 77 CO 0.45 -0.73 1.12 0.29 -1.51 0.00 0.00 177.10 176.72 2b8a n LYS 78 N -0.49 0.35 0.15 -0.60 4.01 -1.26 -3.88 118.16 116.43 2b8a n LYS 78 Ca -0.00 0.04 0.12 0.00 -0.51 0.00 0.00 58.31 57.96 2b8a n LYS 78 Cb 0.66 -1.66 0.53 0.00 -0.51 0.00 0.00 35.03 34.06 2b8a n LYS 78 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2b8a n ARG 79 N -2.13 0.18 -1.41 1.97 5.12 -1.26 -4.97 116.66 114.16 2b8a n ARG 79 Ca 0.02 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 2b8a n ARG 79 Cb 0.46 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 -2.26 -3.91 0.00 5.56 4.76 -1.25 -4.76 118.16 116.29 2b8a n LYS 80 Ca 0.01 2.96 0.00 0.00 -2.87 0.00 0.00 58.31 58.41 2b8a n LYS 80 Cb 0.16 -3.48 0.00 0.00 -1.84 0.00 0.00 35.03 29.87 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 -1.55 3.03 0.33 0.72 0.00 -1.26 -4.88 105.19 101.58 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 -0.76 -0.64 1.61 3.04 -1.91 -2.83 116.94 115.46 2b8a h PHE 82 Ca 0.00 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.05 2b8a h PHE 82 Cb 0.00 0.27 -0.08 0.00 2.56 0.00 0.00 35.95 38.70 2b8a h PHE 82 CO 0.00 -0.44 0.22 0.77 -2.02 0.00 0.00 178.31 176.84 2b8a h SER 83 N -0.72 0.18 -1.11 0.41 0.02 -1.89 0.11 113.55 110.55 2b8a h SER 83 Ca -0.05 0.09 0.32 0.00 -0.84 0.00 0.00 61.79 61.31 2b8a h SER 83 Cb 0.59 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 2b8a h SER 83 CO 0.05 0.10 0.78 -0.33 -1.14 0.00 0.00 176.83 176.29 2b8a h GLU 84 N 0.38 0.08 -0.03 3.45 5.08 -1.88 0.89 114.58 122.55 2b8a h GLU 84 Ca 0.33 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.54 2b8a h GLU 84 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2b8a h GLU 84 CO -0.35 0.05 -0.67 0.78 -1.00 0.00 0.00 179.01 177.82 2b8a h GLY 85 N 0.08 0.13 1.00 -3.84 0.00 -0.66 -2.99 103.07 96.79 2b8a h GLY 85 Ca 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2b8a h GLY 85 CO -0.07 0.16 0.35 1.41 0.00 0.00 0.00 176.54 178.39 2b8a h LEU 86 N 0.08 0.71 -0.38 3.11 3.38 0.90 -0.95 115.31 122.16 2b8a h LEU 86 Ca -0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 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 0.11 -0.25 0.09 0.00 0.00 178.44 179.05 2b8a h TRP 87 N 0.79 0.62 0.08 1.13 7.01 -1.47 -3.07 115.95 121.04 2b8a h TRP 87 Ca 0.21 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2b8a h TRP 87 Cb -0.01 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.87 2b8a h TRP 87 CO -0.02 0.59 -0.04 0.93 -2.79 0.00 0.00 178.44 177.11 2b8a h GLU 88 N 0.47 -0.10 -0.62 2.65 3.07 -1.35 0.80 114.58 119.50 2b8a h GLU 88 Ca 0.12 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.17 2b8a h GLU 88 Cb 0.27 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2b8a h GLU 88 CO -0.00 0.09 0.55 0.97 -1.40 0.00 0.00 179.01 179.21 2b8a h ILE 89 N -0.27 0.45 0.00 3.13 2.10 -1.19 1.26 117.51 122.99 2b8a h ILE 89 Ca -0.01 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.51 2b8a h ILE 89 Cb 0.23 0.59 -0.07 0.00 -1.09 0.00 0.00 36.82 36.49 2b8a h ILE 89 CO 0.02 0.00 -2.47 -0.62 -1.08 0.00 0.00 178.15 174.00 2b8a n GLU 90 N -3.94 0.62 0.09 2.19 1.02 -1.03 -4.11 120.64 115.47 2b8a n GLU 90 Ca 0.12 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.35 2b8a n GLU 90 Cb 0.78 -1.52 -0.12 0.00 -0.02 0.00 0.00 31.44 30.56 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 -0.46 0.25 -1.36 1.62 -0.26 0.99 -3.43 115.58 112.93 2b8a h ASN 91 Ca -0.63 -0.27 -0.20 0.00 -0.56 0.00 0.00 56.30 54.65 2b8a h ASN 91 Cb 1.77 -0.08 -0.23 0.00 -1.06 0.00 0.00 38.32 38.71 2b8a h ASN 91 CO -0.24 1.20 -0.56 0.21 -1.06 0.00 0.00 177.43 176.98 2b8a s ASN 92 N -6.97 -0.56 0.18 5.81 2.47 0.43 -4.99 114.94 111.31 2b8a s ASN 92 Ca -0.02 -1.35 0.25 0.00 0.42 0.00 0.00 52.86 52.16 2b8a s ASN 92 Cb 0.08 1.40 0.91 0.00 -1.45 0.00 0.00 41.25 42.19 2b8a s ASN 92 CO 0.86 -0.17 1.76 -2.65 -3.72 0.00 0.00 177.10 173.17 2b8a n PRO 93 N 3.97 0.19 -0.44 0.43 -0.02 -1.04 -3.02 135.00 135.07 2b8a n PRO 93 Ca 0.14 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 2b8a n PRO 93 Cb 0.53 -1.76 0.29 0.00 -0.02 0.00 0.00 33.50 32.54 2b8a n PRO 93 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2b8a n THR 94 N -2.10 1.49 -1.90 3.45 -2.24 -1.26 -4.97 114.28 106.76 2b8a n THR 94 Ca 0.05 -1.18 -0.38 0.00 -2.27 0.00 0.00 64.05 60.27 2b8a n THR 94 Cb 0.34 0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.55 2.33 -0.24 2.28 0.11 -1.17 -5.03 120.40 117.13 2b8a s VAL 95 Ca 0.43 0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 2b8a s VAL 95 Cb 0.26 -3.12 0.09 0.00 -1.53 0.00 0.00 36.38 32.09 2b8a s VAL 95 CO 0.23 -0.01 0.55 -1.59 -3.33 0.00 0.00 175.10 170.95 2b8a s LYS 96 N -2.94 0.51 -0.15 1.54 -2.85 -1.26 -5.10 119.74 109.49 2b8a s LYS 96 Ca 0.71 1.13 0.02 0.00 -1.00 0.00 0.00 55.97 56.84 2b8a s LYS 96 Cb -0.37 0.32 0.01 0.00 -2.06 0.00 0.00 37.83 35.74 2b8a s LYS 96 CO 0.43 -0.19 -0.20 0.00 0.10 0.00 0.00 175.35 175.50 2b8a s ALA 97 N 2.11 2.15 0.92 0.59 0.00 -1.26 -5.13 121.76 121.14 2b8a s ALA 97 Ca -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2b8a s ALA 97 Cb -0.09 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.06 2b8a s ALA 97 CO -0.16 -0.16 0.37 0.45 0.00 0.00 0.00 175.76 176.25 2b8a n SER 98 N 4.32 0.08 0.00 0.00 2.88 -1.26 -5.04 113.62 114.60 2b8a n SER 98 Ca -0.20 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 2b8a n SER 98 Cb 0.51 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2b8a n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2b8a n GLY 99 N 2.56 0.68 2.36 0.46 0.00 -1.26 -5.19 105.19 104.80 2b8a n GLY 99 Ca 0.05 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2b8a n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2b8a n TYR 100 N -0.16 -1.10 -4.23 1.61 0.18 -1.26 -5.17 117.16 107.04 2b8a n TYR 100 Ca 0.00 -1.69 -0.20 0.00 1.88 0.00 0.00 57.90 57.90 2b8a n TYR 100 Cb 0.00 0.37 -0.16 0.00 -0.38 0.00 0.00 39.34 39.17 2b8a n TYR 100 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 2b8a s GLN 101 N -2.60 0.83 0.09 -3.48 -2.07 -1.26 -5.15 119.66 106.02 2b8a s GLN 101 Ca 0.21 -0.17 0.02 0.00 -1.82 0.00 0.00 55.36 53.61 2b8a s GLN 101 Cb -0.01 -0.80 -0.04 0.00 -1.09 0.00 0.00 33.01 31.07 2b8a s GLN 101 CO 0.15 -0.01 0.13 -1.54 -1.32 0.00 0.00 175.29 172.71 2b8a s SER 102 N 0.61 5.81 0.72 12.60 1.04 -1.26 -5.12 113.70 128.10 2b8a s SER 102 Ca -0.08 0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2b8a s SER 102 Cb -0.12 -1.64 0.12 0.00 0.10 0.00 0.00 66.02 64.49 2b8a s SER 102 CO 0.00 0.15 0.82 -1.20 0.98 0.00 0.00 173.24 174.00 2b8a n SER 103 N 0.26 0.86 0.07 7.02 7.64 -1.26 -5.03 113.62 123.18 2b8a n SER 103 Ca -0.07 -1.78 -0.21 0.00 1.01 0.00 0.00 58.87 57.81 2b8a n SER 103 Cb 0.52 -0.55 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 2b8a n SER 103 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2b8a h GLN 104 N 0.00 0.35 -5.60 1.43 4.20 -2.09 -3.47 115.11 109.92 2b8a h GLN 104 Ca -0.27 -0.59 -0.55 0.00 0.06 0.00 0.00 58.65 57.29 2b8a h GLN 104 Cb 0.94 0.22 -0.14 0.00 0.30 0.00 0.00 27.48 28.80 2b8a h GLN 104 CO 0.27 1.25 -0.65 0.15 -0.67 0.00 0.00 178.83 179.18 2b8a s LYS 105 N -2.59 1.73 -0.02 1.46 -0.14 -1.26 -5.15 119.74 113.77 2b8a s LYS 105 Ca -0.13 -1.92 -0.29 0.00 -1.36 0.00 0.00 55.97 52.26 2b8a s LYS 105 Cb 0.06 -1.36 0.11 0.00 -1.68 0.00 0.00 37.83 34.96 2b8a s LYS 105 CO 0.86 0.00 1.30 0.21 -0.76 0.00 0.00 175.35 176.96 2b8a s LYS 106 N -3.72 0.36 0.30 1.68 2.47 -1.26 -5.19 119.74 114.38 2b8a s LYS 106 Ca 0.33 -0.22 0.07 0.00 -1.56 0.00 0.00 55.97 54.59 2b8a s LYS 106 Cb 0.06 0.10 -0.06 0.00 -1.46 0.00 0.00 37.83 36.47 2b8a s LYS 106 CO 0.15 -0.17 -0.06 -1.12 0.16 0.00 0.00 175.35 174.32 2b8a s SER 107 N -3.55 2.99 -0.15 1.43 0.01 -1.26 -4.99 113.70 108.18 2b8a s SER 107 Ca 0.25 -1.21 -0.11 0.00 1.31 0.00 0.00 55.95 56.19 2b8a s SER 107 Cb 0.01 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.07 2b8a s SER 107 CO -0.02 -0.33 0.22 0.00 0.41 0.00 0.00 173.24 173.51 2b8a s ALA 109 N -0.64 0.05 0.00 0.00 0.00 -1.26 -5.31 121.76 114.60 2b8a s ALA 109 Ca -0.25 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2b8a s ALA 109 Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2b8a s ALA 109 CO 0.67 -0.15 0.00 0.39 0.00 0.00 0.00 175.76 176.67