#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 0.92 -0.39 7.83 0.01 -1.26 -5.08 113.70 115.73 2b8a s SER 2 Ca 0.00 -1.90 0.02 0.00 1.31 0.00 0.00 55.95 55.38 2b8a s SER 2 Cb 0.00 0.53 0.12 0.00 0.21 0.00 0.00 66.02 66.87 2b8a s SER 2 CO 0.00 -0.22 0.17 -0.60 0.41 0.00 0.00 173.24 173.00 2b8a s ARG 3 N 1.09 1.20 -0.22 12.44 3.52 -1.26 -4.96 118.95 130.77 2b8a s ARG 3 Ca 0.21 -1.75 -0.07 0.00 -0.13 0.00 0.00 55.73 53.99 2b8a s ARG 3 Cb -0.10 -2.46 0.03 0.00 -1.56 0.00 0.00 34.95 30.85 2b8a s ARG 3 CO -0.06 -1.07 0.14 0.43 -0.81 0.00 0.00 175.30 173.94 2b8a n SER 4 N 4.03 -3.29 -4.52 -2.12 7.64 -1.26 -4.98 113.62 109.12 2b8a n SER 4 Ca 0.04 1.28 -0.37 0.00 1.01 0.00 0.00 58.87 60.83 2b8a n SER 4 Cb 0.38 -4.98 -0.12 0.00 -1.01 0.00 0.00 64.21 58.48 2b8a n SER 4 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2b8a s ASN 5 N -0.98 5.62 0.01 6.43 2.20 -1.26 -5.08 114.94 121.88 2b8a s ASN 5 Ca -0.16 -0.13 0.02 0.00 -0.94 0.00 0.00 52.86 51.64 2b8a s ASN 5 Cb 0.01 -2.03 -0.01 0.00 -2.00 0.00 0.00 41.25 37.22 2b8a s ASN 5 CO 0.73 -0.06 -0.06 -0.60 -2.94 0.00 0.00 177.10 174.18 2b8a s ARG 6 N 1.69 0.43 0.18 3.55 6.06 -1.26 -5.02 118.95 124.58 2b8a s ARG 6 Ca 0.07 -0.40 0.24 0.00 -2.50 0.00 0.00 55.73 53.13 2b8a s ARG 6 Cb -0.16 -0.32 0.90 0.00 0.06 0.00 0.00 34.95 35.43 2b8a s ARG 6 CO 0.08 0.08 1.72 0.00 -2.50 0.00 0.00 175.30 174.67 2b8a n GLN 7 N 2.36 0.16 -1.76 5.12 10.64 -1.26 -5.00 117.38 127.64 2b8a n GLN 7 Ca -0.17 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2b8a n GLN 7 Cb 0.57 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 2b8a n GLN 7 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2b8a n LYS 8 N -2.06 -4.64 -3.70 2.61 3.00 -1.26 -4.93 118.16 107.18 2b8a n LYS 8 Ca 0.04 3.36 -0.35 0.00 -0.00 0.00 0.00 58.31 61.36 2b8a n LYS 8 Cb 0.29 -3.56 -0.05 0.00 0.00 0.00 0.00 35.03 31.71 2b8a n LYS 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2b8a s GLU 9 N -1.30 3.64 0.26 1.64 2.56 -1.26 -5.02 118.70 119.22 2b8a s GLU 9 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.97 55.08 2b8a s GLU 9 Cb 0.00 -3.06 -0.04 0.00 2.00 0.00 0.00 34.13 33.02 2b8a s GLU 9 CO 0.00 0.63 -0.07 0.71 -0.56 0.00 0.00 175.26 175.97 2b8a s TYR 10 N -1.32 2.57 0.11 5.30 1.51 -1.26 -5.15 117.35 119.11 2b8a s TYR 10 Ca 0.29 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 2b8a s TYR 10 Cb -0.13 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 2b8a s TYR 10 CO 0.16 0.64 -0.09 0.15 -1.11 0.00 0.00 175.55 175.31 2b8a s LYS 11 N -3.55 0.87 0.14 -0.62 -0.14 -1.26 -5.08 119.74 110.10 2b8a s LYS 11 Ca 0.30 -1.26 -0.35 0.00 -1.36 0.00 0.00 55.97 53.31 2b8a s LYS 11 Cb -0.06 -0.44 -0.15 0.00 -1.68 0.00 0.00 37.83 35.50 2b8a s LYS 11 CO 0.18 0.05 1.43 0.00 -0.76 0.00 0.00 175.35 176.25 2b8a n GLY 13 N 2.82 1.49 3.77 0.00 0.00 0.28 -4.94 105.19 108.60 2b8a n GLY 13 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.86 6.91 -0.28 1.61 -1.08 -0.42 -4.69 116.67 116.87 2b8a s ASP 14 Ca 0.00 2.46 -0.18 0.00 -0.52 0.00 0.00 52.55 54.31 2b8a s ASP 14 Cb 0.00 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 2b8a s ASP 14 CO 0.00 -0.41 0.52 -0.76 0.52 0.00 0.00 175.17 175.04 2b8a s LEU 15 N -1.81 4.10 0.25 -1.34 1.43 -1.26 -0.92 118.68 119.14 2b8a s LEU 15 Ca 0.49 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2b8a s LEU 15 Cb -0.35 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 2b8a s LEU 15 CO 0.45 -0.33 0.22 0.68 0.23 0.00 0.00 176.35 177.60 2b8a s VAL 16 N 2.34 0.00 -0.07 -1.59 -7.23 0.27 -2.37 120.40 111.75 2b8a s VAL 16 Ca 0.21 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 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 0.10 0.00 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.44 2b8a s PHE 17 N -3.86 2.88 -0.14 2.82 0.08 -0.14 -0.23 117.98 119.40 2b8a s PHE 17 Ca 0.38 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.37 2b8a s PHE 17 Cb 0.05 -1.71 -0.00 0.00 -0.57 0.00 0.00 43.02 40.78 2b8a s PHE 17 CO 0.17 0.25 -0.17 0.00 -0.10 0.00 0.00 175.22 175.37 2b8a s ALA 18 N -0.66 2.42 -0.12 5.36 0.00 -0.89 -1.39 121.76 126.47 2b8a s ALA 18 Ca 0.10 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2b8a s ALA 18 Cb -0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2b8a s ALA 18 CO 0.02 0.04 0.51 0.21 0.00 0.00 0.00 175.76 176.53 2b8a s LYS 19 N 0.71 4.34 -0.01 0.00 2.47 -0.88 -1.00 119.74 125.37 2b8a s LYS 19 Ca -0.08 0.50 0.03 0.00 -1.56 0.00 0.00 55.97 54.86 2b8a s LYS 19 Cb -0.16 -3.45 -0.01 0.00 -1.46 0.00 0.00 37.83 32.76 2b8a s LYS 19 CO 0.01 0.12 -0.10 -1.64 0.16 0.00 0.00 175.35 173.91 2b8a s MET 20 N 0.72 0.80 0.09 4.03 -1.94 -1.25 -4.94 119.30 116.80 2b8a s MET 20 Ca 0.27 -0.36 -0.31 0.00 -1.71 0.00 0.00 55.69 53.59 2b8a s MET 20 Cb -0.15 -0.77 -0.10 0.00 2.01 0.00 0.00 34.83 35.82 2b8a s MET 20 CO 0.11 0.21 1.86 -1.59 -0.01 0.00 0.00 175.02 175.60 2b8a s LYS 21 N -0.25 4.14 0.00 2.03 -2.85 -1.26 -1.63 119.74 119.92 2b8a s LYS 21 Ca 0.04 2.57 0.00 0.00 -1.00 0.00 0.00 55.97 57.58 2b8a s LYS 21 Cb -0.04 -3.80 0.00 0.00 -2.06 0.00 0.00 37.83 31.94 2b8a s LYS 21 CO -0.00 -0.87 0.00 0.41 0.10 0.00 0.00 175.35 174.98 2b8a n GLY 22 N 4.32 0.41 3.37 0.59 0.00 -1.26 -5.06 105.19 107.56 2b8a n GLY 22 Ca 0.18 0.00 -0.11 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 -0.24 0.80 1.61 1.51 -0.65 -5.07 117.35 113.31 2b8a s TYR 23 Ca 0.00 -0.07 -0.11 0.00 -1.01 0.00 0.00 57.07 55.89 2b8a s TYR 23 Cb 0.00 0.33 0.09 0.00 -0.11 0.00 0.00 41.96 42.27 2b8a s TYR 23 CO 0.00 -0.77 1.15 -1.25 -1.11 0.00 0.00 175.55 173.57 2b8a s PRO 24 N -3.81 1.85 -0.25 -1.71 0.04 -1.26 -3.83 135.00 126.03 2b8a s PRO 24 Ca 0.04 -0.08 -0.38 0.00 0.04 0.00 0.00 61.00 60.62 2b8a s PRO 24 Cb 0.01 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 2b8a s PRO 24 CO -0.10 -1.60 1.85 0.72 0.04 0.00 0.00 177.00 177.90 2b8a n HIS 25 N -3.26 2.06 -3.75 0.56 8.25 -1.26 -4.55 115.22 113.26 2b8a n HIS 25 Ca 0.09 0.37 -0.36 0.00 -0.26 0.00 0.00 57.72 57.56 2b8a n HIS 25 Cb 0.61 -2.52 -0.07 0.00 1.12 0.00 0.00 29.99 29.12 2b8a n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2b8a s TRP 26 N 4.25 3.48 -0.09 4.41 -0.11 -0.17 -4.79 118.94 125.91 2b8a s TRP 26 Ca 0.99 0.43 -0.35 0.00 1.22 0.00 0.00 56.10 58.39 2b8a s TRP 26 Cb -0.96 -2.12 -0.12 0.00 -1.50 0.00 0.00 33.47 28.77 2b8a s TRP 26 CO 0.60 0.42 1.85 -0.35 -4.62 0.00 0.00 176.95 174.85 2b8a n PRO 27 N 3.05 2.08 -4.15 5.86 -0.04 -1.26 -2.10 135.00 138.45 2b8a n PRO 27 Ca -0.17 0.76 -0.15 0.00 -0.04 0.00 0.00 63.50 63.91 2b8a n PRO 27 Cb 0.53 -2.59 -0.06 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 3.82 1.01 0.04 0.55 0.00 0.68 -2.39 121.76 125.47 2b8a s ALA 28 Ca 0.92 -1.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 2b8a s ALA 28 Cb -0.73 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2b8a s ALA 28 CO 0.52 -0.73 0.06 0.50 0.00 0.00 0.00 175.76 176.11 2b8a s ARG 29 N -3.44 0.57 0.15 0.00 3.52 -0.96 -0.56 118.95 118.22 2b8a s ARG 29 Ca 0.34 -0.84 -0.27 0.00 -0.13 0.00 0.00 55.73 54.82 2b8a s ARG 29 Cb 0.02 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.55 2b8a s ARG 29 CO 0.20 -0.13 0.85 0.42 -0.81 0.00 0.00 175.30 175.82 2b8a s ILE 30 N -2.80 4.41 0.00 4.11 -1.09 -0.10 -1.91 121.20 123.82 2b8a s ILE 30 Ca -0.03 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 2b8a s ILE 30 Cb -0.00 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 2b8a s ILE 30 CO -0.06 0.44 0.00 -0.67 -1.23 0.00 0.00 174.94 173.43 2b8a n ASP 31 N 2.07 1.96 -3.49 3.58 -0.08 -0.93 1.00 116.55 120.65 2b8a n ASP 31 Ca -0.03 -0.20 -0.13 0.00 -1.51 0.00 0.00 54.79 52.93 2b8a n ASP 31 Cb 0.49 0.78 -0.04 0.00 2.34 0.00 0.00 41.12 44.70 2b8a n ASP 31 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2b8a s GLU 32 N -1.18 1.02 -0.11 -0.67 2.02 -1.24 -4.88 118.70 113.66 2b8a s GLU 32 Ca 0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 54.97 54.77 2b8a s GLU 32 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 34.13 34.74 2b8a s GLU 32 CO 0.00 -0.40 0.29 -1.64 0.02 0.00 0.00 175.26 173.53 2b8a s MET 33 N -2.48 0.31 -0.68 1.61 -1.94 -1.26 -3.64 119.30 111.23 2b8a s MET 33 Ca -0.02 0.45 -0.26 0.00 -1.71 0.00 0.00 55.69 54.15 2b8a s MET 33 Cb -0.01 0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 2b8a s MET 33 CO -0.03 -0.07 1.75 -1.25 -0.01 0.00 0.00 175.02 175.40 2b8a s PRO 34 N 0.46 2.75 0.00 2.03 0.04 -1.26 -4.58 135.00 134.45 2b8a s PRO 34 Ca -0.03 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2b8a s PRO 34 Cb -0.04 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2b8a s PRO 34 CO -0.02 -2.67 0.12 -0.85 0.04 0.00 0.00 177.00 173.61 2b8a n GLU 35 N 9.19 0.00 0.00 4.56 0.28 -1.26 -4.99 120.64 128.41 2b8a n GLU 35 Ca 0.19 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2b8a n GLU 35 Cb 0.51 -0.23 0.00 0.00 1.43 0.00 0.00 31.44 33.15 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 0.00 0.00 -3.40 -1.84 0.00 -1.26 -5.09 120.51 108.92 2b8a n ALA 36 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2b8a n ALA 36 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.07 -0.61 -0.31 0.00 0.00 -1.26 -5.09 121.76 113.42 2b8a s ALA 37 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2b8a s ALA 37 Cb 0.00 -1.70 0.18 0.00 0.00 0.00 0.00 23.12 21.60 2b8a s ALA 37 CO 0.00 -1.52 0.52 0.14 0.00 0.00 0.00 175.76 174.90 2b8a s VAL 38 N 2.40 -0.85 0.00 0.00 -7.23 -1.26 -4.90 120.40 108.57 2b8a s VAL 38 Ca 0.09 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 2b8a s VAL 38 Cb -0.14 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2b8a s VAL 38 CO -0.25 -0.12 0.11 0.29 -0.31 0.00 0.00 175.10 174.82 2b8a n LYS 39 N 5.23 0.00 -1.86 4.82 5.02 -1.26 -4.47 118.16 125.64 2b8a n LYS 39 Ca 0.04 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 2b8a n LYS 39 Cb 0.52 -0.68 -0.07 0.00 -0.02 0.00 0.00 35.03 34.78 2b8a n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2b8a s SER 40 N -1.47 4.46 0.15 4.39 0.01 -1.26 -4.84 113.70 115.14 2b8a s SER 40 Ca 0.00 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.27 2b8a s SER 40 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2b8a s SER 40 CO 0.00 -3.55 0.18 -0.89 0.41 0.00 0.00 173.24 169.39 2b8a s THR 41 N 12.94 0.08 -0.35 1.44 2.01 -1.26 -5.05 115.64 125.45 2b8a s THR 41 Ca 0.76 -1.63 0.05 0.00 0.31 0.00 0.00 61.69 61.18 2b8a s THR 41 Cb -0.06 -1.94 0.20 0.00 0.01 0.00 0.00 72.50 70.71 2b8a s THR 41 CO 0.10 -0.36 1.18 0.00 -0.69 0.00 0.00 174.62 174.85 2b8a n ALA 42 N -0.16 -0.86 -2.81 7.40 0.00 -1.26 -4.95 120.51 117.87 2b8a n ALA 42 Ca -0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.47 2b8a n ALA 42 Cb 0.63 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.09 2b8a n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b8a n ASN 43 N -0.54 -3.92 -3.93 0.00 4.13 -1.26 -5.03 115.26 104.71 2b8a n ASN 43 Ca -0.17 -0.19 -0.12 0.00 1.68 0.00 0.00 54.58 55.77 2b8a n ASN 43 Cb 0.73 -2.66 -0.13 0.00 -1.54 0.00 0.00 39.78 36.18 2b8a n ASN 43 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2b8a s LYS 44 N -5.33 0.20 0.38 3.52 1.02 -1.26 -4.74 119.74 113.53 2b8a s LYS 44 Ca 0.21 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.00 2b8a s LYS 44 Cb -0.09 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2b8a s LYS 44 CO 0.26 0.02 0.57 0.71 -0.92 0.00 0.00 175.35 175.99 2b8a s TYR 45 N -0.40 3.28 -0.41 3.18 2.02 -0.64 -4.82 117.35 119.57 2b8a s TYR 45 Ca -0.03 0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 56.66 2b8a s TYR 45 Cb -0.03 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 2b8a s TYR 45 CO -0.00 -0.11 0.30 -1.14 -1.57 0.00 0.00 175.55 173.03 2b8a s GLN 46 N -4.37 2.99 -0.03 -0.62 0.74 -1.24 -2.13 119.66 115.00 2b8a s GLN 46 Ca 0.44 -1.00 -0.01 0.00 0.05 0.00 0.00 55.36 54.84 2b8a s GLN 46 Cb -0.10 -3.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.01 2b8a s GLN 46 CO 0.35 -0.73 0.06 0.08 -0.55 0.00 0.00 175.29 174.50 2b8a s VAL 47 N 1.68 4.68 -0.22 1.34 1.01 -0.58 -2.19 120.40 126.12 2b8a s VAL 47 Ca 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2b8a s VAL 47 Cb -0.19 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2b8a s VAL 47 CO 0.10 0.44 0.04 0.12 0.00 0.00 0.00 175.10 175.79 2b8a s PHE 48 N -1.10 3.09 -0.37 5.22 5.36 -0.80 -2.54 117.98 126.84 2b8a s PHE 48 Ca 0.20 -0.35 -0.17 0.00 -0.96 0.00 0.00 56.93 55.65 2b8a s PHE 48 Cb -0.12 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.42 2b8a s PHE 48 CO 0.10 -0.21 0.44 -0.06 -1.46 0.00 0.00 175.22 174.02 2b8a s PHE 49 N 1.12 3.19 1.45 10.12 0.08 0.93 -2.27 117.98 132.60 2b8a s PHE 49 Ca 0.03 -0.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.80 2b8a s PHE 49 Cb -0.14 -2.82 0.37 0.00 -0.57 0.00 0.00 43.02 39.86 2b8a s PHE 49 CO 0.02 -0.54 0.92 -0.06 -0.10 0.00 0.00 175.22 175.46 2b8a s PHE 50 N 2.19 -0.85 0.00 0.36 0.08 -1.01 0.10 117.98 118.85 2b8a s PHE 50 Ca 0.14 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.71 2b8a s PHE 50 Cb -0.16 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 2b8a s PHE 50 CO 0.13 -5.11 0.00 0.41 -0.10 0.00 0.00 175.22 170.55 2b8a n GLY 51 N 1.44 0.67 0.10 4.36 0.00 -1.26 -3.24 105.19 107.26 2b8a n GLY 51 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.68 -3.20 2.61 -2.24 -1.25 -4.81 114.28 106.08 2b8a n THR 52 Ca 0.00 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.99 2b8a n THR 52 Cb 0.00 -0.39 0.05 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.18 -3.17 4.78 -0.00 0.28 -4.99 115.22 107.27 2b8a n HIS 53 Ca -0.04 0.68 -0.28 0.00 -0.00 0.00 0.00 57.72 58.09 2b8a n HIS 53 Cb 0.63 -4.41 -0.03 0.00 -0.00 0.00 0.00 29.99 26.19 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 -5.87 3.63 -0.01 -0.41 2.02 -0.75 -4.80 118.70 112.50 2b8a s GLU 54 Ca 0.40 0.08 0.06 0.00 0.02 0.00 0.00 54.97 55.52 2b8a s GLU 54 Cb -0.17 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2b8a s GLU 54 CO 0.49 0.11 -0.19 0.95 0.02 0.00 0.00 175.26 176.64 2b8a s THR 55 N -2.24 1.53 0.22 3.63 -4.23 -1.26 -0.05 115.64 113.25 2b8a s THR 55 Ca 0.45 -0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.96 2b8a s THR 55 Cb -0.10 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.48 2b8a s THR 55 CO 0.33 0.43 0.54 0.00 -0.54 0.00 0.00 174.62 175.37 2b8a s ALA 56 N -0.46 -0.78 -0.21 3.99 0.00 -1.05 -5.02 121.76 118.22 2b8a s ALA 56 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2b8a s ALA 56 Cb -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2b8a s ALA 56 CO -0.01 -0.85 0.04 -0.06 0.00 0.00 0.00 175.76 174.88 2b8a s PHE 57 N -3.92 3.11 0.09 0.00 0.40 -1.26 -1.52 117.98 114.88 2b8a s PHE 57 Ca 0.13 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 2b8a s PHE 57 Cb -0.02 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 2b8a s PHE 57 CO 0.02 -0.16 0.01 -0.51 0.70 0.00 0.00 175.22 175.28 2b8a s LEU 58 N 1.01 2.14 0.46 -0.37 1.43 -0.91 -4.91 118.68 117.54 2b8a s LEU 58 Ca 0.03 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 2b8a s LEU 58 Cb -0.14 0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.32 2b8a s LEU 58 CO 0.03 -0.66 0.66 -0.83 0.23 0.00 0.00 176.35 175.78 2b8a s GLY 59 N -2.99 1.71 0.63 -3.19 0.00 -1.26 -1.62 107.32 100.60 2b8a s GLY 59 Ca 0.16 -1.30 0.42 0.00 0.00 0.00 0.00 44.72 44.00 2b8a s GLY 59 CO -0.04 -1.10 2.27 -0.56 0.00 0.00 0.00 173.10 173.67 2b8a h PRO 60 N 0.40 0.00 0.00 2.90 0.13 -1.93 -1.70 132.00 131.79 2b8a h PRO 60 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2b8a h PRO 60 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2b8a h PRO 60 CO 0.53 0.00 -0.33 0.87 -0.23 0.00 0.00 178.00 178.84 2b8a h LYS 61 N 0.00 0.00 -0.60 0.86 1.79 -1.94 -2.48 116.57 114.21 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 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2b8a h LYS 61 CO 0.00 0.33 0.00 -0.25 -1.08 0.00 0.00 179.45 178.45 2b8a n ASP 62 N -3.75 3.48 -4.61 0.86 8.00 -0.64 -4.91 116.55 114.98 2b8a n ASP 62 Ca -0.01 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.16 2b8a n ASP 62 Cb 0.42 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.12 3.30 0.10 0.64 1.43 -0.94 -2.07 118.68 120.02 2b8a s LEU 63 Ca 0.43 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2b8a s LEU 63 Cb 0.23 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2b8a s LEU 63 CO 0.31 0.37 -0.09 -0.36 0.23 0.00 0.00 176.35 176.80 2b8a s PHE 64 N -0.82 0.99 -0.34 0.29 0.40 -0.49 -4.89 117.98 113.12 2b8a s PHE 64 Ca 0.12 -0.73 -0.28 0.00 -0.60 0.00 0.00 56.93 55.44 2b8a s PHE 64 Cb -0.11 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 2b8a s PHE 64 CO 0.02 -0.05 1.79 -2.14 0.70 0.00 0.00 175.22 175.54 2b8a s PRO 65 N -3.08 3.33 0.07 0.24 0.02 -1.26 -0.96 135.00 133.35 2b8a s PRO 65 Ca 0.07 1.40 -0.28 0.00 0.02 0.00 0.00 61.00 62.21 2b8a s PRO 65 Cb -0.01 -4.20 -0.14 0.00 0.02 0.00 0.00 34.50 30.18 2b8a s PRO 65 CO -0.01 -1.86 1.44 -0.92 -0.33 0.00 0.00 177.00 175.32 2b8a h TYR 66 N 12.84 -1.12 -0.91 6.54 3.20 -1.77 0.33 116.97 136.08 2b8a h TYR 66 Ca -0.33 0.01 0.21 0.00 3.14 0.00 0.00 58.73 61.75 2b8a h TYR 66 Cb 1.17 0.44 -0.12 0.00 1.54 0.00 0.00 36.73 39.76 2b8a h TYR 66 CO 0.96 -0.54 0.44 0.93 -1.64 0.00 0.00 178.16 178.31 2b8a h GLU 67 N -0.80 0.47 -0.31 1.82 3.07 -1.91 2.40 114.58 119.31 2b8a h GLU 67 Ca -0.05 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.60 2b8a h GLU 67 Cb 0.70 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2b8a h GLU 67 CO -0.05 0.31 -0.51 1.49 -1.40 0.00 0.00 179.01 178.85 2b8a h GLU 68 N 0.49 0.88 -0.55 2.33 4.81 -1.88 -3.26 114.58 117.40 2b8a h GLU 68 Ca 0.56 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2b8a h GLU 68 Cb 1.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2b8a h GLU 68 CO -0.48 1.18 0.00 0.43 -0.73 0.00 0.00 179.01 179.40 2b8a n SER 69 N -4.02 3.48 -0.20 1.04 7.64 0.11 -4.58 113.62 117.09 2b8a n SER 69 Ca -0.04 -1.99 -0.01 0.00 1.01 0.00 0.00 58.87 57.84 2b8a n SER 69 Cb 0.61 -0.37 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 3.30 0.48 0.00 1.43 2.10 0.40 0.32 116.57 124.60 2b8a h LYS 70 Ca 0.00 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.55 2b8a h LYS 70 Cb 0.87 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2b8a h LYS 70 CO 0.00 0.32 -0.35 0.93 -2.00 0.00 0.00 179.45 178.35 2b8a h GLU 71 N 0.50 0.00 0.07 0.07 5.08 -1.82 0.83 114.58 119.31 2b8a h GLU 71 Ca 0.29 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.46 2b8a h GLU 71 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2b8a h GLU 71 CO -0.25 0.35 -0.99 0.87 -1.00 0.00 0.00 179.01 177.99 2b8a h LYS 72 N 0.00 0.15 -0.02 2.33 1.57 -1.54 -3.39 116.57 115.67 2b8a h LYS 72 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2b8a h LYS 72 Cb 0.77 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2b8a h LYS 72 CO 0.05 1.12 -0.06 1.19 -0.57 0.00 0.00 179.45 181.18 2b8a n PHE 73 N -4.20 0.00 -2.61 -1.35 3.01 0.10 -4.78 117.46 107.63 2b8a n PHE 73 Ca -0.21 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.81 2b8a n PHE 73 Cb 0.76 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 2b8a n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b8a n GLY 74 N 1.04 4.02 3.26 1.37 0.00 0.29 -4.92 105.19 110.25 2b8a n GLY 74 Ca 0.10 -2.01 -0.11 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 1.18 0.89 0.57 1.61 1.02 -1.26 -4.84 119.74 118.91 2b8a s LYS 75 Ca 0.42 -0.65 -0.18 0.00 0.02 0.00 0.00 55.97 55.58 2b8a s LYS 75 Cb 0.04 0.38 -0.08 0.00 -0.52 0.00 0.00 37.83 37.65 2b8a s LYS 75 CO 0.00 -0.30 0.58 -2.30 -0.92 0.00 0.00 175.35 172.41 2b8a n PRO 76 N 0.23 0.56 -4.33 -1.68 -0.02 -1.26 -4.85 135.00 123.65 2b8a n PRO 76 Ca -0.17 0.22 -0.17 0.00 -2.02 0.00 0.00 63.50 61.36 2b8a n PRO 76 Cb 0.61 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 2b8a n PRO 76 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2b8a s ASN 77 N -1.18 1.82 0.18 2.55 -0.87 -1.26 -5.04 114.94 111.14 2b8a s ASN 77 Ca 0.70 -1.23 0.23 0.00 -1.57 0.00 0.00 52.86 50.99 2b8a s ASN 77 Cb -0.44 0.01 0.20 0.00 -0.02 0.00 0.00 41.25 41.00 2b8a s ASN 77 CO 0.53 -0.52 1.23 0.11 -2.57 0.00 0.00 177.10 175.88 2b8a h LYS 78 N 2.46 0.00 0.00 -0.60 6.56 -2.04 -3.29 116.57 119.66 2b8a h LYS 78 Ca -0.38 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 2b8a h LYS 78 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2b8a h LYS 78 CO 0.64 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 178.03 2b8a h ARG 79 N 0.00 0.00 -3.22 3.15 2.47 -1.97 -3.48 114.38 111.32 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 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2b8a h ARG 79 CO 0.00 0.00 -0.80 1.63 0.56 0.00 0.00 179.97 181.36 2b8a n LYS 80 N -2.30 -3.87 0.00 0.04 4.76 -1.24 -4.77 118.16 110.77 2b8a n LYS 80 Ca 0.01 2.91 0.00 0.00 -2.87 0.00 0.00 58.31 58.36 2b8a n LYS 80 Cb 0.16 -3.36 0.00 0.00 -1.84 0.00 0.00 35.03 29.99 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 -1.30 2.89 0.23 0.72 0.00 -1.26 -4.89 105.19 101.58 2b8a n GLY 81 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.49 -0.59 1.61 3.04 -1.90 -2.77 116.94 115.84 2b8a h PHE 82 Ca 0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 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 -0.29 0.16 0.66 -2.02 0.00 0.00 178.31 176.82 2b8a h SER 83 N -0.46 0.08 -1.10 0.41 4.64 -1.90 0.13 113.55 115.35 2b8a h SER 83 Ca -0.02 0.10 0.31 0.00 -0.47 0.00 0.00 61.79 61.70 2b8a h SER 83 Cb 0.39 0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 2b8a h SER 83 CO 0.01 0.05 0.76 -0.33 -0.87 0.00 0.00 176.83 176.45 2b8a h GLU 84 N 0.30 0.15 -0.03 4.77 5.08 -1.88 0.88 114.58 123.86 2b8a h GLU 84 Ca 0.31 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.50 2b8a h GLU 84 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2b8a h GLU 84 CO -0.36 0.10 -0.69 0.78 -1.00 0.00 0.00 179.01 177.84 2b8a h GLY 85 N 0.16 0.16 1.00 -3.84 0.00 -0.61 -2.91 103.07 97.02 2b8a h GLY 85 Ca 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 2b8a h GLY 85 CO -0.13 0.20 0.36 1.41 0.00 0.00 0.00 176.54 178.39 2b8a h LEU 86 N 0.10 0.72 -0.56 3.11 3.38 0.10 -1.11 115.31 121.05 2b8a h LEU 86 Ca -0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2b8a h LEU 86 Cb 1.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2b8a h LEU 86 CO 0.10 0.57 0.07 -0.25 0.09 0.00 0.00 178.44 179.01 2b8a h TRP 87 N 0.81 1.01 0.29 1.13 7.01 -1.45 -3.11 115.95 121.65 2b8a h TRP 87 Ca 0.22 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2b8a h TRP 87 Cb -0.02 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 2b8a h TRP 87 CO -0.02 0.90 -0.14 0.93 -2.79 0.00 0.00 178.44 177.32 2b8a h GLU 88 N 0.84 -0.38 -0.41 2.65 4.39 -1.27 0.83 114.58 121.22 2b8a h GLU 88 Ca 0.17 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.01 2b8a h GLU 88 Cb 0.45 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2b8a h GLU 88 CO 0.02 -0.12 0.47 0.97 -1.16 0.00 0.00 179.01 179.19 2b8a h ILE 89 N -0.61 0.33 0.00 3.13 2.10 -1.25 1.06 117.51 122.27 2b8a h ILE 89 Ca -0.04 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.48 2b8a h ILE 89 Cb 0.44 0.62 -0.07 0.00 -1.09 0.00 0.00 36.82 36.72 2b8a h ILE 89 CO 0.07 0.00 -2.49 -1.84 -1.08 0.00 0.00 178.15 172.81 2b8a n GLU 90 N -3.64 0.61 0.08 2.19 0.28 -1.09 -4.15 120.64 114.92 2b8a n GLU 90 Ca 0.07 0.20 -0.14 0.00 -0.16 0.00 0.00 57.16 57.13 2b8a n GLU 90 Cb 0.64 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.88 2b8a n GLU 90 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2b8a h ASN 91 N -0.46 0.31 -1.25 -1.84 2.35 0.11 -3.43 115.58 111.38 2b8a h ASN 91 Ca -0.63 -0.36 -0.18 0.00 -0.55 0.00 0.00 56.30 54.58 2b8a h ASN 91 Cb 1.76 -0.10 -0.21 0.00 0.05 0.00 0.00 38.32 39.81 2b8a h ASN 91 CO -0.24 1.29 -0.54 0.21 -1.65 0.00 0.00 177.43 176.49 2b8a s ASN 92 N -6.98 -0.87 0.01 5.81 3.84 0.36 -4.99 114.94 112.11 2b8a s ASN 92 Ca -0.04 -1.44 0.22 0.00 0.21 0.00 0.00 52.86 51.80 2b8a s ASN 92 Cb 0.08 1.55 0.93 0.00 -0.55 0.00 0.00 41.25 43.25 2b8a s ASN 92 CO 0.86 -0.14 1.70 -0.81 -2.79 0.00 0.00 177.10 175.92 2b8a n PRO 93 N 3.71 0.01 -0.38 0.43 -0.04 -0.89 -2.78 135.00 135.06 2b8a n PRO 93 Ca 0.15 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2b8a n PRO 93 Cb 0.54 -1.52 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.54 1.29 -1.83 0.52 -2.24 -1.26 -4.97 114.28 104.24 2b8a n THR 94 Ca 0.05 -1.11 -0.38 0.00 -2.27 0.00 0.00 64.05 60.35 2b8a n THR 94 Cb 0.26 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.32 2.20 -0.01 2.28 0.11 -1.12 -5.04 120.40 117.50 2b8a s VAL 95 Ca 0.41 0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.57 2b8a s VAL 95 Cb 0.24 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2b8a s VAL 95 CO 0.24 -0.01 0.09 -0.54 -3.33 0.00 0.00 175.10 171.55 2b8a s LYS 96 N -2.99 0.28 -0.05 1.54 1.02 -1.26 -5.11 119.74 113.17 2b8a s LYS 96 Ca 0.73 -0.19 -0.04 0.00 0.02 0.00 0.00 55.97 56.49 2b8a s LYS 96 Cb -0.38 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2b8a s LYS 96 CO 0.44 -0.05 0.16 0.00 -0.92 0.00 0.00 175.35 174.98 2b8a s ALA 97 N -0.73 3.92 -0.35 5.17 0.00 -1.26 -5.08 121.76 123.44 2b8a s ALA 97 Ca -0.08 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2b8a s ALA 97 Cb -0.05 -1.91 0.15 0.00 0.00 0.00 0.00 23.12 21.31 2b8a s ALA 97 CO 0.00 0.70 0.38 0.45 0.00 0.00 0.00 175.76 177.29 2b8a s SER 98 N -1.58 1.00 0.00 0.00 0.15 -1.26 -4.95 113.70 107.06 2b8a s SER 98 Ca 0.22 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2b8a s SER 98 Cb -0.12 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2b8a s SER 98 CO 0.13 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2b8a n GLY 99 N 4.62 0.63 3.40 9.45 0.00 -1.26 -5.13 105.19 116.90 2b8a n GLY 99 Ca 0.07 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2b8a n GLY 99 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b8a s TYR 100 N 0.00 3.10 -0.14 1.61 5.04 -1.26 -4.85 117.35 120.86 2b8a s TYR 100 Ca 0.00 -0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 53.85 2b8a s TYR 100 Cb 0.00 -2.24 0.04 0.00 0.35 0.00 0.00 41.96 40.10 2b8a s TYR 100 CO 0.00 -0.46 0.20 0.94 -1.34 0.00 0.00 175.55 174.88 2b8a n GLN 101 N 4.90 -4.73 -4.48 4.97 0.00 -1.26 -5.04 117.38 111.74 2b8a n GLN 101 Ca -0.16 3.53 -0.23 0.00 -0.00 0.00 0.00 57.00 60.14 2b8a n GLN 101 Cb 0.50 -4.97 -0.16 0.00 0.00 0.00 0.00 30.24 25.60 2b8a n GLN 101 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2b8a s SER 102 N -0.64 1.55 0.21 1.69 0.01 -1.26 -5.14 113.70 110.11 2b8a s SER 102 Ca -0.23 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 56.79 2b8a s SER 102 Cb 0.02 -0.72 -0.00 0.00 0.21 0.00 0.00 66.02 65.52 2b8a s SER 102 CO 0.61 0.01 0.04 -1.20 0.41 0.00 0.00 173.24 173.12 2b8a n SER 103 N 3.85 1.74 -2.23 2.44 7.64 -1.26 -5.05 113.62 120.76 2b8a n SER 103 Ca -0.23 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2b8a n SER 103 Cb 0.52 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 2b8a n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8a n GLN 104 N -0.50 -4.79 -1.85 1.43 6.02 -1.26 -4.92 117.38 111.52 2b8a n GLN 104 Ca -0.06 3.51 0.00 0.00 -0.01 0.00 0.00 57.00 60.44 2b8a n GLN 104 Cb 0.29 -4.37 0.00 0.00 1.02 0.00 0.00 30.24 27.18 2b8a n GLN 104 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2b8a n LYS 105 N 1.68 -4.93 0.10 -1.09 5.02 -1.26 -5.06 118.16 112.62 2b8a n LYS 105 Ca 0.00 3.55 0.00 0.00 -2.02 0.00 0.00 58.31 59.84 2b8a n LYS 105 Cb 0.00 -3.78 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 2b8a n LYS 105 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2b8a n LYS 106 N 1.47 0.00 -0.07 1.97 5.02 -1.26 -4.93 118.16 120.36 2b8a n LYS 106 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2b8a n LYS 106 Cb 0.00 -0.02 -0.15 0.00 -0.02 0.00 0.00 35.03 34.84 2b8a n LYS 106 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2b8a n SER 107 N -3.19 0.42 -1.36 4.39 7.64 -1.26 -5.09 113.62 115.17 2b8a n SER 107 Ca 0.00 0.17 0.18 0.00 1.01 0.00 0.00 58.87 60.23 2b8a n SER 107 Cb 0.01 0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8a s ALA 109 N -2.93 3.54 0.00 0.00 0.00 -1.26 -5.22 121.76 115.89 2b8a s ALA 109 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2b8a s ALA 109 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2b8a s ALA 109 CO 0.00 -0.09 0.00 -1.91 0.00 0.00 0.00 175.76 173.76