#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 -4.75 7.83 7.64 -1.26 -5.16 113.62 117.92 2b8a n SER 2 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2b8a n SER 2 Cb 0.00 0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 2b8a n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8a s ARG 3 N -0.40 2.24 0.23 1.43 3.03 -1.26 -5.16 118.95 119.07 2b8a s ARG 3 Ca 0.00 -1.84 0.03 0.00 2.03 0.00 0.00 55.73 55.95 2b8a s ARG 3 Cb 0.00 -2.00 0.03 0.00 -1.03 0.00 0.00 34.95 31.95 2b8a s ARG 3 CO 0.00 -0.13 0.24 -1.13 -1.13 0.00 0.00 175.30 173.15 2b8a n SER 4 N -1.26 1.32 -3.30 -2.89 3.41 -1.26 -5.13 113.62 104.51 2b8a n SER 4 Ca -0.01 -1.70 -0.09 0.00 -0.26 0.00 0.00 58.87 56.81 2b8a n SER 4 Cb 0.64 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 2b8a n SER 4 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b8a s ASN 5 N -2.37 0.40 -1.79 4.04 3.84 -1.26 -4.90 114.94 112.91 2b8a s ASN 5 Ca 0.18 -0.45 -0.00 0.00 0.21 0.00 0.00 52.86 52.80 2b8a s ASN 5 Cb -0.01 1.09 0.00 0.00 -0.55 0.00 0.00 41.25 41.78 2b8a s ASN 5 CO 0.11 -0.35 0.01 -1.14 -2.79 0.00 0.00 177.10 172.94 2b8a n ARG 6 N 5.30 -1.73 -4.21 0.43 0.63 -1.26 -4.98 116.66 110.84 2b8a n ARG 6 Ca 0.01 1.01 -0.20 0.00 -0.92 0.00 0.00 57.85 57.76 2b8a n ARG 6 Cb 0.49 -5.68 -0.12 0.00 0.45 0.00 0.00 32.46 27.60 2b8a n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2b8a s GLN 7 N -5.06 0.89 0.06 -0.14 0.74 -1.26 -5.13 119.66 109.76 2b8a s GLN 7 Ca 0.00 -0.99 0.09 0.00 0.05 0.00 0.00 55.36 54.52 2b8a s GLN 7 Cb -0.00 -0.95 -0.03 0.00 1.10 0.00 0.00 33.01 33.12 2b8a s GLN 7 CO 0.01 0.22 -0.26 0.21 -0.55 0.00 0.00 175.29 174.91 2b8a s LYS 8 N -1.75 1.74 -0.01 1.67 2.20 -1.26 -4.96 119.74 117.38 2b8a s LYS 8 Ca -0.00 -1.15 -0.12 0.00 -0.36 0.00 0.00 55.97 54.34 2b8a s LYS 8 Cb -0.10 -1.98 -0.05 0.00 -1.51 0.00 0.00 37.83 34.19 2b8a s LYS 8 CO 0.03 0.50 0.35 -1.21 -0.36 0.00 0.00 175.35 174.66 2b8a s GLU 9 N -1.44 3.78 0.27 4.03 0.41 -1.26 -4.97 118.70 119.52 2b8a s GLU 9 Ca 0.13 0.24 0.11 0.00 -0.41 0.00 0.00 54.97 55.03 2b8a s GLU 9 Cb -0.10 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.04 2b8a s GLU 9 CO 0.03 0.68 -0.12 0.71 -0.49 0.00 0.00 175.26 176.08 2b8a s TYR 10 N -1.14 2.48 0.10 1.61 2.02 -1.26 -5.15 117.35 116.00 2b8a s TYR 10 Ca 0.24 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 2b8a s TYR 10 Cb -0.15 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 2b8a s TYR 10 CO 0.13 0.66 -0.05 0.15 -1.57 0.00 0.00 175.55 174.86 2b8a s LYS 11 N -3.50 0.84 -0.07 -0.62 3.01 -1.26 -5.07 119.74 113.06 2b8a s LYS 11 Ca 0.30 -1.34 -0.37 0.00 -1.01 0.00 0.00 55.97 53.55 2b8a s LYS 11 Cb -0.06 -0.17 -0.14 0.00 -1.01 0.00 0.00 37.83 36.45 2b8a s LYS 11 CO 0.17 -0.04 1.67 0.00 0.51 0.00 0.00 175.35 177.66 2b8a n GLY 13 N 3.76 1.41 3.76 0.00 0.00 0.13 -4.94 105.19 109.31 2b8a n GLY 13 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.67 7.02 -0.32 1.61 1.01 -0.20 -4.73 116.67 119.40 2b8a s ASP 14 Ca 0.00 2.42 -0.18 0.00 0.71 0.00 0.00 52.55 55.49 2b8a s ASP 14 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2b8a s ASP 14 CO 0.00 -0.33 0.54 -0.76 0.21 0.00 0.00 175.17 174.83 2b8a s LEU 15 N -1.68 4.22 0.24 1.23 1.43 -1.26 -1.55 118.68 121.31 2b8a s LEU 15 Ca 0.47 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2b8a s LEU 15 Cb -0.34 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2b8a s LEU 15 CO 0.45 -0.43 0.16 0.68 0.23 0.00 0.00 176.35 177.44 2b8a s VAL 16 N 2.43 0.06 -0.09 -1.59 -7.23 0.29 -2.41 120.40 111.85 2b8a s VAL 16 Ca 0.21 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2b8a s VAL 16 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2b8a s VAL 16 CO 0.12 0.00 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.46 2b8a s PHE 17 N -3.94 2.88 -0.19 2.82 0.08 -0.18 -0.39 117.98 119.06 2b8a s PHE 17 Ca 0.39 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 57.21 2b8a s PHE 17 Cb 0.06 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2b8a s PHE 17 CO 0.16 0.13 -0.08 0.00 -0.10 0.00 0.00 175.22 175.33 2b8a s ALA 18 N -0.35 2.74 -0.14 5.36 0.00 -1.05 -1.72 121.76 126.60 2b8a s ALA 18 Ca 0.04 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2b8a s ALA 18 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2b8a s ALA 18 CO 0.02 -0.18 0.47 0.21 0.00 0.00 0.00 175.76 176.28 2b8a s LYS 19 N 1.05 4.30 0.05 0.00 2.47 -0.69 -2.02 119.74 124.91 2b8a s LYS 19 Ca 0.00 0.41 0.05 0.00 -1.56 0.00 0.00 55.97 54.87 2b8a s LYS 19 Cb -0.15 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 2b8a s LYS 19 CO -0.01 0.10 -0.15 -1.64 0.16 0.00 0.00 175.35 173.81 2b8a s MET 20 N 0.83 0.95 -0.12 4.03 -1.94 -1.24 -4.92 119.30 116.89 2b8a s MET 20 Ca 0.25 -0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 53.11 2b8a s MET 20 Cb -0.15 -0.98 -0.05 0.00 2.01 0.00 0.00 34.83 35.66 2b8a s MET 20 CO 0.10 0.24 1.82 -1.59 -0.01 0.00 0.00 175.02 175.57 2b8a s LYS 21 N -1.30 3.84 0.00 2.03 -2.85 -1.26 -1.62 119.74 118.58 2b8a s LYS 21 Ca 0.01 2.07 0.00 0.00 -1.00 0.00 0.00 55.97 57.05 2b8a s LYS 21 Cb -0.08 -4.12 0.00 0.00 -2.06 0.00 0.00 37.83 31.57 2b8a s LYS 21 CO 0.02 -1.27 0.00 0.41 0.10 0.00 0.00 175.35 174.61 2b8a n GLY 22 N 4.72 0.49 3.22 0.59 0.00 -1.26 -5.07 105.19 107.89 2b8a n GLY 22 Ca 0.21 0.00 -0.12 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 -0.12 0.75 1.61 2.02 -0.64 -5.10 117.35 113.87 2b8a s TYR 23 Ca 0.00 0.12 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 2b8a s TYR 23 Cb 0.00 0.07 0.06 0.00 -0.40 0.00 0.00 41.96 41.68 2b8a s TYR 23 CO 0.00 -0.40 1.12 -1.25 -1.57 0.00 0.00 175.55 173.45 2b8a s PRO 24 N -1.66 2.27 -0.36 -1.71 0.04 -1.26 -3.64 135.00 128.67 2b8a s PRO 24 Ca -0.11 0.13 -0.39 0.00 0.04 0.00 0.00 61.00 60.66 2b8a s PRO 24 Cb -0.04 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.33 2b8a s PRO 24 CO 0.02 -1.35 2.02 0.72 0.04 0.00 0.00 177.00 178.45 2b8a n HIS 25 N -3.14 1.66 -3.68 0.56 8.25 -1.26 -4.64 115.22 112.97 2b8a n HIS 25 Ca 0.08 0.49 -0.36 0.00 -0.26 0.00 0.00 57.72 57.67 2b8a n HIS 25 Cb 0.60 -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 5.70 3.40 -0.13 4.41 -0.11 -0.85 -4.84 118.94 126.52 2b8a s TRP 26 Ca 1.08 0.36 -0.35 0.00 1.22 0.00 0.00 56.10 58.41 2b8a s TRP 26 Cb -1.09 -2.22 -0.12 0.00 -1.50 0.00 0.00 33.47 28.54 2b8a s TRP 26 CO 0.59 0.23 1.87 -0.35 -4.62 0.00 0.00 176.95 174.68 2b8a n PRO 27 N 3.69 2.01 -4.18 5.86 -0.04 -1.26 -2.51 135.00 138.57 2b8a n PRO 27 Ca -0.15 0.73 -0.15 0.00 -0.04 0.00 0.00 63.50 63.89 2b8a n PRO 27 Cb 0.52 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 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 1.18 0.06 0.55 0.00 0.48 -2.44 121.76 125.68 2b8a s ALA 28 Ca 0.94 -1.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 2b8a s ALA 28 Cb -0.75 1.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2b8a s ALA 28 CO 0.54 -0.71 0.12 0.50 0.00 0.00 0.00 175.76 176.21 2b8a s ARG 29 N -3.49 0.70 0.15 0.00 3.52 -0.87 -0.55 118.95 118.41 2b8a s ARG 29 Ca 0.35 -0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 54.78 2b8a s ARG 29 Cb 0.02 0.28 -0.07 0.00 -1.56 0.00 0.00 34.95 33.62 2b8a s ARG 29 CO 0.21 -0.19 0.89 0.42 -0.81 0.00 0.00 175.30 175.82 2b8a s ILE 30 N -3.28 4.39 0.00 4.11 -1.09 -0.60 -0.71 121.20 124.02 2b8a s ILE 30 Ca 0.01 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 2b8a s ILE 30 Cb 0.03 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 2b8a s ILE 30 CO -0.08 0.41 0.00 0.47 -1.23 0.00 0.00 174.94 174.51 2b8a n ASP 31 N 2.22 3.03 -3.51 3.58 9.92 -0.78 0.18 116.55 131.19 2b8a n ASP 31 Ca -0.01 -0.04 -0.11 0.00 -0.53 0.00 0.00 54.79 54.11 2b8a n ASP 31 Cb 0.49 0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 41.61 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 -1.29 0.85 0.18 -1.24 2.12 -1.23 -4.93 118.70 113.16 2b8a s GLU 32 Ca 0.00 -0.14 -0.19 0.00 0.36 0.00 0.00 54.97 55.00 2b8a s GLU 32 Cb 0.00 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.83 2b8a s GLU 32 CO 0.00 -0.34 0.53 0.00 -0.54 0.00 0.00 175.26 174.92 2b8a s MET 33 N -2.46 1.33 0.01 4.30 0.23 -1.26 -2.63 119.30 118.82 2b8a s MET 33 Ca 0.01 -0.75 -0.30 0.00 -1.03 0.00 0.00 55.69 53.61 2b8a s MET 33 Cb -0.01 0.53 -0.06 0.00 -1.53 0.00 0.00 34.83 33.77 2b8a s MET 33 CO -0.05 -0.57 1.48 -2.14 -2.03 0.00 0.00 175.02 171.72 2b8a s PRO 34 N -3.84 4.25 0.00 3.16 0.02 -1.26 -4.75 135.00 132.58 2b8a s PRO 34 Ca 0.06 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.16 2b8a s PRO 34 Cb -0.01 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.90 2b8a s PRO 34 CO -0.06 -0.64 0.00 -0.85 -0.33 0.00 0.00 177.00 175.12 2b8a n GLU 35 N 5.57 0.12 0.00 5.54 0.28 -1.26 -5.02 120.64 125.87 2b8a n GLU 35 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2b8a n GLU 35 Cb 0.43 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.20 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2b8a n ALA 36 N -0.45 0.00 -3.54 -1.84 0.00 -1.26 -5.07 120.51 108.35 2b8a n ALA 36 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2b8a n ALA 36 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.88 0.69 0.00 0.00 0.00 -1.26 -4.93 121.76 115.38 2b8a s ALA 37 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2b8a s ALA 37 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2b8a s ALA 37 CO 0.00 -1.69 0.52 1.33 0.00 0.00 0.00 175.76 175.92 2b8a n VAL 38 N 5.14 0.00 -3.21 0.00 0.24 -1.26 -4.95 118.33 114.28 2b8a n VAL 38 Ca -0.04 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 2b8a n VAL 38 Cb 0.42 0.30 0.02 0.00 -1.47 0.00 0.00 33.84 33.11 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 -2.02 0.00 7.34 4.76 -1.26 -3.79 118.16 123.19 2b8a n LYS 39 Ca 0.00 1.66 0.00 0.00 -2.87 0.00 0.00 58.31 57.10 2b8a n LYS 39 Cb 0.55 -4.00 0.00 0.00 -1.84 0.00 0.00 35.03 29.74 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 -0.65 0.00 -1.93 4.39 2.88 -1.26 -4.82 113.62 112.22 2b8a n SER 40 Ca -0.01 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.51 2b8a n SER 40 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 2b8a n SER 40 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2b8a n THR 41 N 0.00 -8.46 -0.92 2.46 -1.04 -1.25 -4.73 114.28 100.34 2b8a n THR 41 Ca 0.00 1.66 -0.27 0.00 -2.04 0.00 0.00 64.05 63.40 2b8a n THR 41 Cb 0.00 -4.98 -0.02 0.00 -1.82 0.00 0.00 70.33 63.51 2b8a n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b8a n ALA 42 N 0.98 5.62 -3.88 2.41 0.00 -1.26 -4.45 120.51 119.93 2b8a n ALA 42 Ca -0.13 -2.47 -0.26 0.00 0.00 0.00 0.00 53.44 50.58 2b8a n ALA 42 Cb 0.20 -3.11 -0.00 0.00 0.00 0.00 0.00 19.45 16.53 2b8a n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2b8a n ASN 43 N 3.99 -1.25 -4.07 0.00 0.23 -1.26 -4.98 115.26 107.92 2b8a n ASN 43 Ca 0.55 -0.99 -0.21 0.00 -0.53 0.00 0.00 54.58 53.40 2b8a n ASN 43 Cb 0.17 -3.21 -0.15 0.00 -2.08 0.00 0.00 39.78 34.50 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2b8a s LYS 44 N -6.40 1.02 0.25 -3.83 1.02 -1.26 -4.68 119.74 105.86 2b8a s LYS 44 Ca 0.08 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 2b8a s LYS 44 Cb -0.03 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 2b8a s LYS 44 CO 0.88 0.24 0.45 0.71 -0.92 0.00 0.00 175.35 176.71 2b8a s TYR 45 N -0.21 3.48 -0.47 3.18 1.51 -0.31 -4.72 117.35 119.82 2b8a s TYR 45 Ca 0.03 0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 56.32 2b8a s TYR 45 Cb -0.05 -1.89 0.07 0.00 -0.11 0.00 0.00 41.96 39.97 2b8a s TYR 45 CO -0.00 0.29 0.39 -0.65 -1.11 0.00 0.00 175.55 174.47 2b8a s GLN 46 N -3.59 2.98 0.03 -0.62 -0.21 -1.08 -1.85 119.66 115.32 2b8a s GLN 46 Ca 0.39 -1.31 -0.01 0.00 0.02 0.00 0.00 55.36 54.46 2b8a s GLN 46 Cb -0.11 -4.12 -0.04 0.00 1.00 0.00 0.00 33.01 29.75 2b8a s GLN 46 CO 0.30 -1.01 0.18 0.14 -2.12 0.00 0.00 175.29 172.79 2b8a s VAL 47 N 1.67 5.32 -0.22 1.09 -7.23 -0.66 -1.86 120.40 118.51 2b8a s VAL 47 Ca 0.04 -0.31 -0.07 0.00 -1.81 0.00 0.00 61.98 59.83 2b8a s VAL 47 Cb -0.24 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 2b8a s VAL 47 CO 0.07 0.23 0.06 0.12 -0.31 0.00 0.00 175.10 175.27 2b8a s PHE 48 N -1.40 3.14 -0.46 2.82 5.36 0.11 -2.47 117.98 125.08 2b8a s PHE 48 Ca 0.31 -0.22 -0.19 0.00 -0.96 0.00 0.00 56.93 55.87 2b8a s PHE 48 Cb -0.13 -2.16 0.04 0.00 -0.34 0.00 0.00 43.02 40.43 2b8a s PHE 48 CO 0.23 -0.14 0.59 -0.06 -1.46 0.00 0.00 175.22 174.37 2b8a s PHE 49 N 1.06 3.08 1.39 10.12 0.08 0.17 -2.04 117.98 131.83 2b8a s PHE 49 Ca 0.04 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.53 2b8a s PHE 49 Cb -0.14 -3.32 0.34 0.00 -0.57 0.00 0.00 43.02 39.33 2b8a s PHE 49 CO 0.03 -0.90 0.80 1.19 -0.10 0.00 0.00 175.22 176.24 2b8a n PHE 50 N 6.06 -3.36 0.00 0.36 3.72 -1.02 -0.05 117.46 123.17 2b8a n PHE 50 Ca -0.05 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 2b8a n PHE 50 Cb 0.47 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 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 1.91 0.84 0.10 1.37 0.00 -1.25 -3.53 105.19 104.62 2b8a n GLY 51 Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.67 -2.65 2.61 -2.24 -1.24 -4.83 114.28 106.60 2b8a n THR 52 Ca 0.00 -0.58 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 2b8a n THR 52 Cb 0.00 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.67 -1.24 -3.47 4.78 -0.00 0.92 -5.00 115.22 108.54 2b8a n HIS 53 Ca -0.03 0.26 -0.25 0.00 -0.00 0.00 0.00 57.72 57.71 2b8a n HIS 53 Cb 0.62 -3.53 -0.02 0.00 -0.00 0.00 0.00 29.99 27.06 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 -5.20 3.50 0.05 -0.41 2.02 -0.90 -4.84 118.70 112.93 2b8a s GLU 54 Ca 0.15 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.85 2b8a s GLU 54 Cb -0.07 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2b8a s GLU 54 CO 0.19 0.22 -0.11 -0.08 0.02 0.00 0.00 175.26 175.49 2b8a s THR 55 N -2.19 0.87 0.28 3.63 -1.32 -1.26 0.44 115.64 116.08 2b8a s THR 55 Ca 0.40 -1.15 -0.15 0.00 -1.21 0.00 0.00 61.69 59.58 2b8a s THR 55 Cb -0.10 -0.86 0.01 0.00 -1.51 0.00 0.00 72.50 70.04 2b8a s THR 55 CO 0.34 -0.25 0.57 0.00 -2.21 0.00 0.00 174.62 173.07 2b8a s ALA 56 N -1.24 -0.48 -0.20 11.08 0.00 -1.03 -5.01 121.76 124.88 2b8a s ALA 56 Ca -0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 2b8a s ALA 56 Cb -0.10 0.98 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 2b8a s ALA 56 CO 0.01 -0.91 0.01 -0.06 0.00 0.00 0.00 175.76 174.81 2b8a s PHE 57 N -3.75 3.06 0.08 0.00 0.40 -1.26 -1.65 117.98 114.85 2b8a s PHE 57 Ca 0.19 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 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 0.10 -0.22 -0.04 -0.51 0.70 0.00 0.00 175.22 175.24 2b8a s LEU 58 N 1.02 2.48 0.69 -0.37 1.02 -0.77 -4.90 118.68 117.85 2b8a s LEU 58 Ca 0.02 -1.01 -0.01 0.00 0.02 0.00 0.00 54.13 53.15 2b8a s LEU 58 Cb -0.14 0.08 0.10 0.00 0.02 0.00 0.00 46.19 46.25 2b8a s LEU 58 CO 0.02 -0.54 0.96 -0.83 0.02 0.00 0.00 176.35 175.97 2b8a s GLY 59 N -2.98 1.77 0.50 -3.19 0.00 -1.26 -1.16 107.32 100.99 2b8a s GLY 59 Ca 0.10 -1.58 0.26 0.00 0.00 0.00 0.00 44.72 43.50 2b8a s GLY 59 CO -0.07 -1.07 2.01 -0.56 0.00 0.00 0.00 173.10 173.40 2b8a h PRO 60 N -0.44 0.00 0.00 2.90 0.13 -1.92 -2.32 132.00 130.35 2b8a h PRO 60 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.44 0.16 -0.27 0.87 -0.23 0.00 0.00 178.00 178.97 2b8a h LYS 61 N 0.00 0.00 -0.52 0.86 1.79 -1.95 -2.52 116.57 114.22 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 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2b8a h LYS 61 CO 0.02 0.27 0.00 -0.25 -1.08 0.00 0.00 179.45 178.41 2b8a n ASP 62 N -3.60 3.39 -4.44 0.86 9.92 -0.88 -4.90 116.55 116.89 2b8a n ASP 62 Ca -0.01 -1.98 -0.32 0.00 -0.53 0.00 0.00 54.79 51.95 2b8a n ASP 62 Cb 0.40 -0.35 -0.14 0.00 -0.64 0.00 0.00 41.12 40.40 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 -1.23 2.62 0.08 0.64 1.43 -0.95 -1.70 118.68 119.56 2b8a s LEU 63 Ca 0.41 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2b8a s LEU 63 Cb 0.23 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2b8a s LEU 63 CO 0.31 0.33 -0.05 -0.36 0.23 0.00 0.00 176.35 176.81 2b8a s PHE 64 N -0.65 0.73 -0.30 0.29 0.40 -0.70 -4.92 117.98 112.83 2b8a s PHE 64 Ca 0.10 -0.96 -0.29 0.00 -0.60 0.00 0.00 56.93 55.18 2b8a s PHE 64 Cb -0.11 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 2b8a s PHE 64 CO 0.01 -0.24 1.68 -2.14 0.70 0.00 0.00 175.22 175.22 2b8a s PRO 65 N -3.78 3.55 0.11 0.24 0.02 -1.26 -1.01 135.00 132.86 2b8a s PRO 65 Ca 0.09 1.46 -0.32 0.00 0.02 0.00 0.00 61.00 62.25 2b8a s PRO 65 Cb 0.06 -4.11 -0.11 0.00 0.02 0.00 0.00 34.50 30.35 2b8a s PRO 65 CO -0.07 -1.60 1.58 -0.92 -0.33 0.00 0.00 177.00 175.66 2b8a h TYR 66 N 11.75 -1.31 -0.92 6.54 3.20 -1.77 0.79 116.97 135.26 2b8a h TYR 66 Ca -0.33 0.03 0.20 0.00 3.14 0.00 0.00 58.73 61.77 2b8a h TYR 66 Cb 1.15 0.56 -0.11 0.00 1.54 0.00 0.00 36.73 39.87 2b8a h TYR 66 CO 0.94 -0.55 0.48 0.93 -1.64 0.00 0.00 178.16 178.32 2b8a h GLU 67 N -0.69 0.55 -0.33 1.82 5.08 -1.91 2.19 114.58 121.30 2b8a h GLU 67 Ca 0.02 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 2b8a h GLU 67 Cb 0.71 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2b8a h GLU 67 CO -0.27 0.36 -0.48 1.49 -1.00 0.00 0.00 179.01 179.12 2b8a h GLU 68 N 0.56 0.89 -0.49 2.33 4.22 -1.79 -3.26 114.58 117.04 2b8a h GLU 68 Ca 0.55 -0.52 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2b8a h GLU 68 Cb 0.93 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2b8a h GLU 68 CO -0.44 1.16 0.00 -1.13 -2.18 0.00 0.00 179.01 176.42 2b8a n SER 69 N -4.03 3.67 -0.16 1.04 3.41 0.21 -4.61 113.62 113.16 2b8a n SER 69 Ca -0.03 -2.22 -0.03 0.00 -0.26 0.00 0.00 58.87 56.33 2b8a n SER 69 Cb 0.59 -0.40 0.06 0.00 -0.26 0.00 0.00 64.21 64.20 2b8a n SER 69 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2b8a h LYS 70 N 2.96 0.38 0.00 4.33 2.10 0.35 0.32 116.57 127.01 2b8a h LYS 70 Ca 0.00 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 2b8a h LYS 70 Cb 1.03 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2b8a h LYS 70 CO 0.08 0.25 -0.29 1.05 -2.00 0.00 0.00 179.45 178.54 2b8a h GLU 71 N 0.39 0.00 0.05 0.07 4.11 -1.82 0.90 114.58 118.28 2b8a h GLU 71 Ca 0.24 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.50 2b8a h GLU 71 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2b8a h GLU 71 CO -0.22 0.29 -0.87 0.87 0.07 0.00 0.00 179.01 179.14 2b8a h LYS 72 N 0.00 0.11 -0.01 1.06 1.57 -1.58 -3.39 116.57 114.34 2b8a h LYS 72 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2b8a h LYS 72 Cb 0.73 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2b8a h LYS 72 CO 0.04 1.09 -0.76 1.19 -0.57 0.00 0.00 179.45 180.44 2b8a n PHE 73 N -4.29 0.00 -2.22 -1.35 3.72 0.10 -4.74 117.46 108.69 2b8a n PHE 73 Ca -0.21 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.77 2b8a n PHE 73 Cb 0.71 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 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 4.07 3.24 1.37 0.00 0.31 -4.89 105.19 110.72 2b8a n GLY 74 Ca 0.06 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 2.31 0.87 0.79 1.61 1.02 -1.26 -4.83 119.74 120.24 2b8a s LYS 75 Ca 0.45 -0.76 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 2b8a s LYS 75 Cb 0.09 0.37 0.04 0.00 -0.52 0.00 0.00 37.83 37.80 2b8a s LYS 75 CO -0.02 -0.29 0.91 -0.35 -0.92 0.00 0.00 175.35 174.68 2b8a n PRO 76 N 0.14 0.21 -4.26 -1.68 -0.04 -1.26 -4.80 135.00 123.31 2b8a n PRO 76 Ca -0.17 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 2b8a n PRO 76 Cb 0.62 -2.19 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 2b8a n PRO 76 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2b8a s ASN 77 N -1.87 0.86 0.14 3.54 3.04 -1.26 -5.02 114.94 114.37 2b8a s ASN 77 Ca 0.70 -1.34 0.24 0.00 0.04 0.00 0.00 52.86 52.49 2b8a s ASN 77 Cb -0.30 0.22 0.21 0.00 -1.54 0.00 0.00 41.25 39.84 2b8a s ASN 77 CO 0.54 -0.73 1.21 0.11 -3.04 0.00 0.00 177.10 175.19 2b8a h LYS 78 N 2.53 0.00 0.00 0.43 1.79 -2.04 -3.31 116.57 115.97 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 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 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 0.17 -1.39 3.15 5.12 -1.26 -4.97 116.66 115.20 2b8a n ARG 79 Ca 0.02 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 2b8a n ARG 79 Cb 0.47 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 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 -2.21 -3.88 0.00 5.56 4.76 -1.25 -4.76 118.16 116.38 2b8a n LYS 80 Ca 0.01 2.93 0.00 0.00 -2.87 0.00 0.00 58.31 58.38 2b8a n LYS 80 Cb 0.16 -3.43 0.00 0.00 -1.84 0.00 0.00 35.03 29.92 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 -1.49 2.98 0.35 0.72 0.00 -1.26 -4.88 105.19 101.60 2b8a n GLY 81 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.80 -0.67 1.61 3.04 -1.90 -2.85 116.94 115.37 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 0.28 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 2b8a h PHE 82 CO 0.00 -0.48 0.24 0.77 -2.02 0.00 0.00 178.31 176.83 2b8a h SER 83 N -0.79 0.22 -1.11 0.41 0.02 -1.90 0.13 113.55 110.53 2b8a h SER 83 Ca -0.06 0.09 0.32 0.00 -0.84 0.00 0.00 61.79 61.30 2b8a h SER 83 Cb 0.63 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 2b8a h SER 83 CO 0.08 0.11 0.78 -0.33 -1.14 0.00 0.00 176.83 176.33 2b8a h GLU 84 N 0.40 0.06 -0.02 3.45 4.39 -1.89 0.85 114.58 121.82 2b8a h GLU 84 Ca 0.35 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.89 2b8a h GLU 84 Cb 0.48 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2b8a h GLU 84 CO -0.36 0.04 -0.71 0.78 -1.16 0.00 0.00 179.01 177.60 2b8a h GLY 85 N 0.06 0.12 1.00 -3.84 0.00 -0.64 -3.06 103.07 96.70 2b8a h GLY 85 Ca 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2b8a h GLY 85 CO -0.05 0.15 0.36 1.41 0.00 0.00 0.00 176.54 178.42 2b8a h LEU 86 N 0.07 0.73 -0.43 3.11 3.38 0.82 -1.36 115.31 121.64 2b8a h LEU 86 Ca -0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2b8a h LEU 86 Cb 1.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2b8a h LEU 86 CO 0.10 0.58 0.12 -0.25 0.09 0.00 0.00 178.44 179.08 2b8a h TRP 87 N 0.82 0.70 0.08 1.13 7.01 -1.50 -3.09 115.95 121.10 2b8a h TRP 87 Ca 0.22 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2b8a h TRP 87 Cb -0.02 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2b8a h TRP 87 CO -0.02 0.65 -0.04 0.93 -2.79 0.00 0.00 178.44 177.17 2b8a h GLU 88 N 0.55 -0.10 -0.49 2.65 5.08 -1.40 0.81 114.58 121.68 2b8a h GLU 88 Ca 0.14 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 2b8a h GLU 88 Cb 0.29 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2b8a h GLU 88 CO -0.00 0.04 0.50 0.97 -1.00 0.00 0.00 179.01 179.52 2b8a h ILE 89 N -0.23 0.37 0.00 3.13 6.09 -1.25 1.02 117.51 126.64 2b8a h ILE 89 Ca -0.01 0.00 -0.41 0.00 -1.37 0.00 0.00 64.86 63.07 2b8a h ILE 89 Cb 0.20 0.60 -0.07 0.00 0.47 0.00 0.00 36.82 38.02 2b8a h ILE 89 CO 0.02 0.00 -2.45 -0.62 -3.07 0.00 0.00 178.15 172.03 2b8a n GLU 90 N -3.75 0.59 0.09 2.19 1.02 -0.97 -4.14 120.64 115.67 2b8a n GLU 90 Ca 0.09 0.19 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 2b8a n GLU 90 Cb 0.70 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.29 -1.31 1.62 2.35 0.96 -3.43 115.58 115.60 2b8a h ASN 91 Ca -0.61 -0.30 -0.19 0.00 -0.55 0.00 0.00 56.30 54.65 2b8a h ASN 91 Cb 1.73 -0.09 -0.22 0.00 0.05 0.00 0.00 38.32 39.78 2b8a h ASN 91 CO -0.24 1.22 -0.55 0.21 -1.65 0.00 0.00 177.43 176.42 2b8a s ASN 92 N -7.00 -0.69 0.10 5.81 2.47 0.35 -4.99 114.94 110.98 2b8a s ASN 92 Ca -0.02 -1.34 0.24 0.00 0.42 0.00 0.00 52.86 52.16 2b8a s ASN 92 Cb 0.08 1.47 0.95 0.00 -1.45 0.00 0.00 41.25 42.30 2b8a s ASN 92 CO 0.86 -0.16 1.75 -0.81 -3.72 0.00 0.00 177.10 175.02 2b8a n PRO 93 N 3.93 0.10 -0.38 0.43 -0.04 -0.99 -2.94 135.00 135.11 2b8a n PRO 93 Ca 0.14 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 2b8a n PRO 93 Cb 0.53 -1.64 0.28 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.82 1.32 -1.85 0.52 -2.24 -1.26 -4.96 114.28 103.98 2b8a n THR 94 Ca 0.05 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.34 2b8a n THR 94 Cb 0.31 0.35 0.04 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 -1.36 2.25 0.22 2.28 0.11 -1.15 -5.03 120.40 117.73 2b8a s VAL 95 Ca 0.41 0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 59.46 2b8a s VAL 95 Cb 0.24 -3.08 0.02 0.00 -1.53 0.00 0.00 36.38 32.04 2b8a s VAL 95 CO 0.24 -0.02 0.57 -1.59 -3.33 0.00 0.00 175.10 170.97 2b8a s LYS 96 N -3.14 1.50 -0.32 1.54 0.00 -1.26 -5.11 119.74 112.96 2b8a s LYS 96 Ca 0.76 -0.92 -0.02 0.00 0.00 0.00 0.00 55.97 55.79 2b8a s LYS 96 Cb -0.36 0.54 0.06 0.00 0.00 0.00 0.00 37.83 38.07 2b8a s LYS 96 CO 0.41 -0.65 0.03 0.00 0.00 0.00 0.00 175.35 175.14 2b8a s ALA 97 N -3.90 2.86 0.05 0.59 0.00 -1.26 -4.85 121.76 115.26 2b8a s ALA 97 Ca 0.11 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2b8a s ALA 97 Cb -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2b8a s ALA 97 CO 0.01 -1.36 0.00 0.43 0.00 0.00 0.00 175.76 174.84 2b8a n SER 98 N 4.61 -0.23 -0.59 0.00 7.64 -1.26 -5.17 113.62 118.61 2b8a n SER 98 Ca -0.11 0.10 0.06 0.00 1.01 0.00 0.00 58.87 59.93 2b8a n SER 98 Cb 0.43 0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.51 -1.93 1.16 0.23 0.00 -1.26 -4.93 105.19 98.97 2b8a n GLY 99 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.97 0.00 -3.70 1.61 4.11 -1.26 -5.04 117.16 110.91 2b8a n TYR 100 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.62 2b8a n TYR 100 Cb 0.20 0.22 -0.16 0.00 -0.00 0.00 0.00 39.34 39.61 2b8a n TYR 100 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 2b8a s GLN 101 N -1.83 0.59 0.23 -3.48 -1.52 -1.26 -5.13 119.66 107.26 2b8a s GLN 101 Ca 0.00 -0.61 0.11 0.00 -1.95 0.00 0.00 55.36 52.91 2b8a s GLN 101 Cb 0.00 -1.94 -0.05 0.00 -0.22 0.00 0.00 33.01 30.81 2b8a s GLN 101 CO 0.00 -0.79 -0.20 -1.12 -0.25 0.00 0.00 175.29 172.93 2b8a s SER 102 N 1.83 3.63 0.21 5.90 0.01 -1.26 -5.15 113.70 118.87 2b8a s SER 102 Ca 0.03 -0.90 -0.19 0.00 1.31 0.00 0.00 55.95 56.20 2b8a s SER 102 Cb -0.17 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.75 2b8a s SER 102 CO -0.17 0.08 0.58 -0.94 0.41 0.00 0.00 173.24 173.20 2b8a s SER 103 N -3.09 -0.33 -0.19 2.44 1.04 -1.26 -5.08 113.70 107.23 2b8a s SER 103 Ca 0.26 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.17 2b8a s SER 103 Cb -0.07 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2b8a s SER 103 CO 0.13 -1.10 0.23 0.00 0.98 0.00 0.00 173.24 173.48 2b8a n GLN 104 N -0.38 -4.40 -4.06 4.02 1.13 -1.26 -5.06 117.38 107.38 2b8a n GLN 104 Ca -0.10 3.34 -0.15 0.00 -1.94 0.00 0.00 57.00 58.14 2b8a n GLN 104 Cb 0.62 -4.97 -0.15 0.00 0.11 0.00 0.00 30.24 25.85 2b8a n GLN 104 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2b8a s LYS 105 N -0.76 0.32 -0.01 -1.09 2.20 -1.26 -5.03 119.74 114.11 2b8a s LYS 105 Ca -0.26 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2b8a s LYS 105 Cb 0.02 -0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 35.99 2b8a s LYS 105 CO 0.77 0.05 -0.01 0.36 -0.36 0.00 0.00 175.35 176.16 2b8a n LYS 106 N 3.18 1.41 -3.05 4.03 -0.00 -1.26 -5.05 118.16 117.42 2b8a n LYS 106 Ca -0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.84 2b8a n LYS 106 Cb 0.57 -1.03 -0.06 0.00 -0.00 0.00 0.00 35.03 34.51 2b8a n LYS 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2b8a s SER 107 N -3.77 6.83 -0.16 -5.58 0.01 -1.26 -5.02 113.70 104.75 2b8a s SER 107 Ca -0.01 1.40 -0.13 0.00 1.31 0.00 0.00 55.95 58.52 2b8a s SER 107 Cb 0.00 -2.42 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 2b8a s SER 107 CO 0.04 -0.24 -0.09 0.00 0.41 0.00 0.00 173.24 173.36 2b8a n ALA 109 N -3.62 3.40 1.47 0.00 0.00 -1.26 -5.26 120.51 115.24 2b8a n ALA 109 Ca -0.14 -1.10 0.12 0.00 0.00 0.00 0.00 53.44 52.31 2b8a n ALA 109 Cb 0.39 -0.46 0.70 0.00 0.00 0.00 0.00 19.45 20.08 2b8a n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89