#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 2.50 -0.27 7.83 0.01 -1.26 -5.09 113.70 117.42 2b8a s SER 2 Ca 0.00 -1.37 -0.13 0.00 1.31 0.00 0.00 55.95 55.76 2b8a s SER 2 Cb 0.00 -0.11 -0.12 0.00 0.21 0.00 0.00 66.02 66.00 2b8a s SER 2 CO 0.00 -0.59 -0.34 -1.14 0.41 0.00 0.00 173.24 171.58 2b8a n ARG 3 N -0.70 0.57 0.00 12.44 3.00 -1.26 -4.93 116.66 125.78 2b8a n ARG 3 Ca -0.03 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 2b8a n ARG 3 Cb 0.66 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.66 2b8a n ARG 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2b8a n SER 4 N -4.18 0.52 -4.68 6.15 2.88 -1.26 -5.05 113.62 108.00 2b8a n SER 4 Ca -0.53 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.59 2b8a n SER 4 Cb 0.88 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.32 2b8a n SER 4 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2b8a s ASN 5 N -4.46 6.85 0.25 -3.46 -0.87 -1.26 -4.61 114.94 107.38 2b8a s ASN 5 Ca 0.00 2.04 0.00 0.00 -1.57 0.00 0.00 52.86 53.33 2b8a s ASN 5 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2b8a s ASN 5 CO 0.00 -0.76 0.00 -1.14 -2.57 0.00 0.00 177.10 172.63 2b8a n ARG 6 N 5.91 -4.75 -3.44 -0.60 3.00 -1.26 -4.72 116.66 110.81 2b8a n ARG 6 Ca 0.14 3.43 -0.13 0.00 -0.00 0.00 0.00 57.85 61.29 2b8a n ARG 6 Cb 0.44 -3.69 -0.05 0.00 0.00 0.00 0.00 32.46 29.16 2b8a n ARG 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2b8a n GLN 7 N 1.07 0.28 0.00 -0.14 6.02 -1.26 -4.59 117.38 118.75 2b8a n GLN 7 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 2b8a n GLN 7 Cb 0.00 1.78 0.00 0.00 1.02 0.00 0.00 30.24 33.04 2b8a n GLN 7 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2b8a n LYS 8 N -0.41 0.00 -0.04 -1.09 0.00 -1.26 -5.15 118.16 110.21 2b8a n LYS 8 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2b8a n LYS 8 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.42 2b8a n LYS 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2b8a n GLU 9 N 0.00 -0.12 -4.50 -1.58 1.02 -1.26 -5.08 120.64 109.13 2b8a n GLU 9 Ca 0.00 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 2b8a n GLU 9 Cb 0.00 -0.10 -0.11 0.00 -0.02 0.00 0.00 31.44 31.21 2b8a n GLU 9 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2b8a s TYR 10 N -2.72 2.18 0.16 -0.32 1.51 -1.26 -5.16 117.35 111.74 2b8a s TYR 10 Ca 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 2b8a s TYR 10 Cb 0.00 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2b8a s TYR 10 CO 0.00 0.37 0.04 0.15 -1.11 0.00 0.00 175.55 175.00 2b8a s LYS 11 N -3.71 1.06 0.15 -0.62 3.01 -1.26 -5.01 119.74 113.36 2b8a s LYS 11 Ca 0.32 -1.52 -0.34 0.00 -1.01 0.00 0.00 55.97 53.42 2b8a s LYS 11 Cb 0.05 -0.00 -0.15 0.00 -1.01 0.00 0.00 37.83 36.72 2b8a s LYS 11 CO 0.15 -0.22 1.47 0.00 0.51 0.00 0.00 175.35 177.25 2b8a n GLY 13 N 2.95 1.17 3.76 0.00 0.00 0.12 -4.96 105.19 108.23 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 0.99 0.00 0.00 0.00 173.32 174.31 2b8a s ASP 14 N -2.21 7.08 -0.27 1.61 1.01 -0.41 -4.70 116.67 118.77 2b8a s ASP 14 Ca 0.00 2.34 -0.19 0.00 0.71 0.00 0.00 52.55 55.41 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 -0.29 0.55 -0.76 0.21 0.00 0.00 175.17 174.88 2b8a s LEU 15 N -1.68 4.09 0.24 1.23 1.43 -1.26 -0.17 118.68 122.55 2b8a s LEU 15 Ca 0.47 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 2b8a s LEU 15 Cb -0.33 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2b8a s LEU 15 CO 0.42 -0.34 0.15 0.68 0.23 0.00 0.00 176.35 177.49 2b8a s VAL 16 N 2.39 0.10 -0.11 -1.59 -7.23 0.69 -2.45 120.40 112.22 2b8a s VAL 16 Ca 0.22 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2b8a s VAL 16 Cb -0.15 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2b8a s VAL 16 CO 0.10 0.00 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.45 2b8a s PHE 17 N -3.94 2.92 -0.18 2.82 0.08 0.11 -0.37 117.98 119.41 2b8a s PHE 17 Ca 0.39 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.18 2b8a s PHE 17 Cb 0.06 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2b8a s PHE 17 CO 0.15 0.09 -0.07 0.00 -0.10 0.00 0.00 175.22 175.30 2b8a s ALA 18 N -0.20 2.77 -0.07 5.36 0.00 -1.06 -1.17 121.76 127.39 2b8a s ALA 18 Ca 0.02 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2b8a s ALA 18 Cb -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 2b8a s ALA 18 CO 0.03 -0.14 0.50 0.21 0.00 0.00 0.00 175.76 176.36 2b8a s LYS 19 N 0.99 4.27 0.07 0.00 2.47 -0.32 -2.09 119.74 125.14 2b8a s LYS 19 Ca -0.00 0.53 0.05 0.00 -1.56 0.00 0.00 55.97 54.98 2b8a s LYS 19 Cb -0.15 -3.38 -0.03 0.00 -1.46 0.00 0.00 37.83 32.82 2b8a s LYS 19 CO -0.00 0.29 -0.13 -1.64 0.16 0.00 0.00 175.35 174.03 2b8a s MET 20 N 0.16 0.79 0.04 4.03 -1.94 -1.24 -4.90 119.30 116.23 2b8a s MET 20 Ca 0.27 -0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 2b8a s MET 20 Cb -0.16 -0.77 -0.08 0.00 2.01 0.00 0.00 34.83 35.82 2b8a s MET 20 CO 0.13 0.17 1.82 0.15 -0.01 0.00 0.00 175.02 177.28 2b8a s LYS 21 N -1.75 4.16 0.00 2.03 1.02 -1.26 -1.62 119.74 122.32 2b8a s LYS 21 Ca -0.03 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.44 2b8a s LYS 21 Cb -0.10 -3.93 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2b8a s LYS 21 CO 0.02 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 173.99 2b8a n GLY 22 N 4.31 0.48 3.29 -3.33 0.00 -1.26 -5.03 105.19 103.65 2b8a n GLY 22 Ca 0.18 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 0.67 1.61 2.02 -0.64 -5.09 117.35 113.62 2b8a s TYR 23 Ca 0.00 0.56 -0.10 0.00 -0.37 0.00 0.00 57.07 57.16 2b8a s TYR 23 Cb 0.00 0.15 0.02 0.00 -0.40 0.00 0.00 41.96 41.73 2b8a s TYR 23 CO 0.00 -0.39 1.04 -1.25 -1.57 0.00 0.00 175.55 173.38 2b8a s PRO 24 N -1.00 2.82 -0.34 -1.71 0.04 -1.26 -3.72 135.00 129.82 2b8a s PRO 24 Ca -0.10 0.27 -0.39 0.00 0.04 0.00 0.00 61.00 60.82 2b8a s PRO 24 Cb -0.04 -2.10 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 2b8a s PRO 24 CO 0.04 -0.96 1.94 0.72 0.04 0.00 0.00 177.00 178.78 2b8a n HIS 25 N -2.88 1.78 -3.67 0.56 8.25 -1.26 -4.66 115.22 113.34 2b8a n HIS 25 Ca 0.06 0.51 -0.35 0.00 -0.26 0.00 0.00 57.72 57.67 2b8a n HIS 25 Cb 0.58 -2.45 -0.08 0.00 1.12 0.00 0.00 29.99 29.16 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 5.09 3.43 -0.08 4.41 -0.11 -0.89 -4.85 118.94 125.94 2b8a s TRP 26 Ca 1.05 0.42 -0.35 0.00 1.22 0.00 0.00 56.10 58.44 2b8a s TRP 26 Cb -1.08 -2.22 -0.13 0.00 -1.50 0.00 0.00 33.47 28.55 2b8a s TRP 26 CO 0.61 0.28 1.82 -0.35 -4.62 0.00 0.00 176.95 174.69 2b8a n PRO 27 N 3.52 2.03 -4.13 5.86 -0.04 -1.26 -2.56 135.00 138.42 2b8a n PRO 27 Ca -0.15 0.74 -0.14 0.00 -0.04 0.00 0.00 63.50 63.91 2b8a n PRO 27 Cb 0.52 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 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 3.58 0.92 0.03 0.55 0.00 0.50 -2.46 121.76 124.88 2b8a s ALA 28 Ca 0.92 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2b8a s ALA 28 Cb -0.74 1.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 2b8a s ALA 28 CO 0.52 -0.74 0.02 0.50 0.00 0.00 0.00 175.76 176.05 2b8a s ARG 29 N -3.44 0.50 0.21 0.00 3.52 -0.96 -0.22 118.95 118.56 2b8a s ARG 29 Ca 0.33 -0.83 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 2b8a s ARG 29 Cb 0.01 0.18 -0.09 0.00 -1.56 0.00 0.00 34.95 33.50 2b8a s ARG 29 CO 0.19 -0.10 0.87 0.42 -0.81 0.00 0.00 175.30 175.86 2b8a s ILE 30 N -2.58 4.20 -0.00 4.11 -1.09 0.76 -1.30 121.20 125.30 2b8a s ILE 30 Ca -0.05 1.91 0.01 0.00 -2.23 0.00 0.00 60.65 60.29 2b8a s ILE 30 Cb -0.02 -4.24 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 2b8a s ILE 30 CO -0.05 0.50 0.02 0.47 -1.23 0.00 0.00 174.94 174.65 2b8a n ASP 31 N 1.51 4.79 -3.51 3.58 9.92 -0.87 0.11 116.55 132.08 2b8a n ASP 31 Ca -0.04 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.10 2b8a n ASP 31 Cb 0.48 0.91 -0.04 0.00 -0.64 0.00 0.00 41.12 41.83 2b8a n ASP 31 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2b8a s GLU 32 N -2.05 0.94 0.46 -1.24 -1.05 -1.24 -4.85 118.70 109.67 2b8a s GLU 32 Ca -0.00 -0.09 -0.01 0.00 -0.15 0.00 0.00 54.97 54.72 2b8a s GLU 32 Cb 0.01 0.44 -0.01 0.00 -0.44 0.00 0.00 34.13 34.12 2b8a s GLU 32 CO 0.04 -0.36 0.70 -1.64 0.95 0.00 0.00 175.26 174.95 2b8a s MET 33 N -2.28 3.16 -0.37 -4.83 -1.94 -1.26 -3.66 119.30 108.11 2b8a s MET 33 Ca -0.02 -0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 53.64 2b8a s MET 33 Cb -0.01 -2.51 0.29 0.00 2.01 0.00 0.00 34.83 34.61 2b8a s MET 33 CO -0.02 -0.27 1.94 -0.35 -0.01 0.00 0.00 175.02 176.31 2b8a n PRO 34 N -2.13 1.94 -2.73 2.03 -0.04 -1.26 -3.91 135.00 128.90 2b8a n PRO 34 Ca 0.01 -1.89 -0.02 0.00 -0.04 0.00 0.00 63.50 61.55 2b8a n PRO 34 Cb 0.57 -1.74 0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2b8a n PRO 34 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2b8a n GLU 35 N -0.01 1.48 0.00 0.54 2.13 -1.26 -4.89 120.64 118.63 2b8a n GLU 35 Ca 0.37 -2.19 0.00 0.00 0.66 0.00 0.00 57.16 56.00 2b8a n GLU 35 Cb 0.70 -0.42 0.00 0.00 0.27 0.00 0.00 31.44 31.98 2b8a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2b8a n ALA 36 N -1.07 0.00 -3.34 4.31 0.00 -1.26 -5.02 120.51 114.13 2b8a n ALA 36 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 2b8a n ALA 36 Cb 0.85 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.68 2.86 -3.31 0.00 0.00 -1.25 -5.10 120.51 113.04 2b8a n ALA 37 Ca 0.00 -3.59 -0.10 0.00 0.00 0.00 0.00 53.44 49.76 2b8a n ALA 37 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 2b8a n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2b8a s VAL 38 N -1.00 0.00 0.07 0.00 -7.23 -1.26 -4.87 120.40 106.11 2b8a s VAL 38 Ca 0.34 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2b8a s VAL 38 Cb 0.11 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2b8a s VAL 38 CO -0.13 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 174.95 2b8a n LYS 39 N -0.44 0.00 -1.49 4.82 4.76 -1.26 -4.95 118.16 119.59 2b8a n LYS 39 Ca -0.02 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.11 2b8a n LYS 39 Cb 0.61 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.82 2b8a n LYS 39 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2b8a n SER 40 N -2.65 7.05 -3.73 4.39 7.64 -1.26 -4.86 113.62 120.20 2b8a n SER 40 Ca 0.00 -3.49 -0.14 0.00 1.01 0.00 0.00 58.87 56.24 2b8a n SER 40 Cb 0.00 -1.10 -0.15 0.00 -1.01 0.00 0.00 64.21 61.95 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 -3.64 -0.09 -0.05 0.44 -4.23 -1.26 -5.05 115.64 101.77 2b8a s THR 41 Ca 0.53 0.21 -0.24 0.00 -1.18 0.00 0.00 61.69 61.02 2b8a s THR 41 Cb 0.40 -0.24 -0.18 0.00 1.34 0.00 0.00 72.50 73.82 2b8a s THR 41 CO -0.20 0.09 1.01 0.00 -0.54 0.00 0.00 174.62 174.97 2b8a h ALA 42 N 7.45 -0.14 -0.18 3.99 0.00 -1.96 -3.42 119.26 124.99 2b8a h ALA 42 Ca -0.38 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.04 2b8a h ALA 42 Cb 1.13 0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 2b8a h ALA 42 CO 0.38 -0.28 -0.51 -1.71 0.00 0.00 0.00 179.25 177.13 2b8a n ASN 43 N -4.89 -1.18 -4.72 0.00 5.15 -1.26 -5.05 115.26 103.31 2b8a n ASN 43 Ca -0.08 -2.46 -0.35 0.00 -0.60 0.00 0.00 54.58 51.08 2b8a n ASN 43 Cb 0.28 0.67 -0.08 0.00 -0.53 0.00 0.00 39.78 40.12 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 -0.50 4.18 0.26 1.20 -0.14 -1.26 -4.12 119.74 119.36 2b8a s LYS 44 Ca 0.21 -0.17 -0.03 0.00 -1.36 0.00 0.00 55.97 54.62 2b8a s LYS 44 Cb 0.41 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 33.07 2b8a s LYS 44 CO -0.07 0.25 0.50 0.71 -0.76 0.00 0.00 175.35 175.98 2b8a s TYR 45 N 0.50 3.48 -0.61 3.18 1.51 0.17 -4.46 117.35 121.12 2b8a s TYR 45 Ca 0.09 0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 56.52 2b8a s TYR 45 Cb -0.12 -2.02 0.12 0.00 -0.11 0.00 0.00 41.96 39.84 2b8a s TYR 45 CO 0.00 0.24 0.66 -1.14 -1.11 0.00 0.00 175.55 174.20 2b8a s GLN 46 N -3.49 3.09 0.04 -0.62 0.74 -1.24 -1.28 119.66 116.90 2b8a s GLN 46 Ca 0.42 -1.56 -0.01 0.00 0.05 0.00 0.00 55.36 54.27 2b8a s GLN 46 Cb -0.11 -4.32 -0.04 0.00 1.10 0.00 0.00 33.01 29.65 2b8a s GLN 46 CO 0.30 -1.46 0.21 0.54 -0.55 0.00 0.00 175.29 174.32 2b8a s VAL 47 N 2.14 5.39 -0.21 1.34 0.11 -0.54 -2.06 120.40 126.57 2b8a s VAL 47 Ca 0.10 -0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 2b8a s VAL 47 Cb -0.24 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 2b8a s VAL 47 CO 0.03 0.19 0.05 0.12 -3.33 0.00 0.00 175.10 172.16 2b8a s PHE 48 N -1.46 3.12 -0.38 1.54 5.36 -0.42 -2.54 117.98 123.20 2b8a s PHE 48 Ca 0.33 -0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 55.86 2b8a s PHE 48 Cb -0.13 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.43 2b8a s PHE 48 CO 0.25 -0.13 0.63 -0.06 -1.46 0.00 0.00 175.22 174.45 2b8a s PHE 49 N 0.97 3.12 1.27 10.12 0.08 0.12 -2.26 117.98 131.41 2b8a s PHE 49 Ca 0.03 0.20 -0.18 0.00 0.12 0.00 0.00 56.93 57.10 2b8a s PHE 49 Cb -0.14 -3.19 0.31 0.00 -0.57 0.00 0.00 43.02 39.43 2b8a s PHE 49 CO 0.03 -0.70 1.00 -0.06 -0.10 0.00 0.00 175.22 175.39 2b8a s PHE 50 N 2.72 0.47 0.00 0.36 0.08 -1.03 0.12 117.98 120.70 2b8a s PHE 50 Ca 0.23 0.80 0.00 0.00 0.12 0.00 0.00 56.93 58.08 2b8a s PHE 50 Cb -0.14 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 2b8a s PHE 50 CO 0.16 -4.28 0.00 0.41 -0.10 0.00 0.00 175.22 171.41 2b8a n GLY 51 N 0.63 0.78 0.10 4.36 0.00 -1.26 -3.52 105.19 106.29 2b8a n GLY 51 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 0.95 -3.18 2.61 -2.24 -1.24 -4.80 114.28 106.37 2b8a n THR 52 Ca 0.00 -0.64 -0.19 0.00 -2.27 0.00 0.00 64.05 60.95 2b8a n THR 52 Cb 0.00 -0.57 0.05 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.80 -2.06 -3.36 4.78 -0.00 0.32 -5.00 115.22 107.10 2b8a n HIS 53 Ca -0.06 0.66 -0.27 0.00 -0.00 0.00 0.00 57.72 58.06 2b8a n HIS 53 Cb 0.73 -4.15 -0.02 0.00 -0.00 0.00 0.00 29.99 26.54 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 -5.83 3.56 0.02 -0.41 2.02 -0.84 -4.81 118.70 112.42 2b8a s GLU 54 Ca 0.38 -0.14 0.07 0.00 0.02 0.00 0.00 54.97 55.30 2b8a s GLU 54 Cb -0.17 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2b8a s GLU 54 CO 0.48 0.20 -0.21 0.95 0.02 0.00 0.00 175.26 176.69 2b8a s THR 55 N -2.16 1.71 0.24 3.63 -4.23 -1.26 0.15 115.64 113.71 2b8a s THR 55 Ca 0.42 -1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 2b8a s THR 55 Cb -0.10 -1.46 0.01 0.00 1.34 0.00 0.00 72.50 72.29 2b8a s THR 55 CO 0.33 0.31 0.57 0.00 -0.54 0.00 0.00 174.62 175.28 2b8a s ALA 56 N -0.70 -0.78 -0.65 3.99 0.00 -1.05 -5.03 121.76 117.54 2b8a s ALA 56 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 2b8a s ALA 56 Cb -0.09 0.93 0.17 0.00 0.00 0.00 0.00 23.12 24.13 2b8a s ALA 56 CO 0.01 -0.90 0.48 -0.06 0.00 0.00 0.00 175.76 175.29 2b8a s PHE 57 N -3.94 3.44 0.24 0.00 0.40 -1.26 -1.47 117.98 115.39 2b8a s PHE 57 Ca 0.14 -2.69 0.02 0.00 -0.60 0.00 0.00 56.93 53.80 2b8a s PHE 57 Cb -0.02 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 2b8a s PHE 57 CO 0.04 -0.84 0.40 -0.51 0.70 0.00 0.00 175.22 175.01 2b8a s LEU 58 N -0.14 4.23 0.61 -0.37 1.02 -0.41 -4.71 118.68 118.92 2b8a s LEU 58 Ca 0.18 0.28 -0.00 0.00 0.02 0.00 0.00 54.13 54.60 2b8a s LEU 58 Cb -0.19 -3.07 0.06 0.00 0.02 0.00 0.00 46.19 43.01 2b8a s LEU 58 CO -0.04 -0.09 0.86 -0.83 0.02 0.00 0.00 176.35 176.27 2b8a s GLY 59 N -3.61 1.79 0.49 -3.19 0.00 -1.26 0.41 107.32 101.95 2b8a s GLY 59 Ca 0.37 -1.36 0.26 0.00 0.00 0.00 0.00 44.72 43.99 2b8a s GLY 59 CO 0.30 -0.99 1.98 -0.56 0.00 0.00 0.00 173.10 173.83 2b8a h PRO 60 N -0.17 0.00 0.00 2.90 0.13 -1.93 -2.34 132.00 130.59 2b8a h PRO 60 Ca -0.41 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 2b8a h PRO 60 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2b8a h PRO 60 CO 0.51 0.17 -0.30 0.87 -0.23 0.00 0.00 178.00 179.02 2b8a h LYS 61 N 0.00 0.00 -0.62 0.86 1.57 -1.94 -2.17 116.57 114.28 2b8a h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b8a h LYS 61 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2b8a h LYS 61 CO 0.02 0.30 0.00 -0.25 -0.57 0.00 0.00 179.45 178.95 2b8a n ASP 62 N -3.86 4.62 -4.46 0.86 8.00 -0.89 -4.92 116.55 115.90 2b8a n ASP 62 Ca -0.02 -2.45 -0.33 0.00 0.71 0.00 0.00 54.79 52.71 2b8a n ASP 62 Cb 0.38 -0.56 -0.13 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.84 2.83 0.07 0.64 1.02 -0.82 -1.17 118.68 119.42 2b8a s LEU 63 Ca 0.49 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.46 2b8a s LEU 63 Cb 0.32 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.89 2b8a s LEU 63 CO 0.24 0.28 -0.07 -0.36 0.02 0.00 0.00 176.35 176.46 2b8a s PHE 64 N -0.35 0.79 -0.33 0.29 0.40 -0.32 -4.92 117.98 113.55 2b8a s PHE 64 Ca 0.04 -0.73 -0.29 0.00 -0.60 0.00 0.00 56.93 55.35 2b8a s PHE 64 Cb -0.13 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 2b8a s PHE 64 CO 0.02 -0.12 1.51 -2.14 0.70 0.00 0.00 175.22 175.19 2b8a s PRO 65 N -2.82 3.65 0.13 0.24 0.02 -1.26 0.09 135.00 135.05 2b8a s PRO 65 Ca 0.02 1.27 -0.32 0.00 0.02 0.00 0.00 61.00 61.99 2b8a s PRO 65 Cb -0.02 -4.03 -0.09 0.00 0.02 0.00 0.00 34.50 30.39 2b8a s PRO 65 CO -0.02 -1.46 1.56 -0.92 -0.33 0.00 0.00 177.00 175.82 2b8a h TYR 66 N 10.83 -1.48 -0.86 6.54 3.20 -1.76 -0.02 116.97 133.42 2b8a h TYR 66 Ca -0.30 0.06 0.20 0.00 3.14 0.00 0.00 58.73 61.84 2b8a h TYR 66 Cb 1.13 0.67 -0.12 0.00 1.54 0.00 0.00 36.73 39.95 2b8a h TYR 66 CO 0.93 -0.51 0.35 0.93 -1.64 0.00 0.00 178.16 178.22 2b8a h GLU 67 N -0.50 0.37 -0.35 1.82 5.08 -1.92 2.40 114.58 121.49 2b8a h GLU 67 Ca 0.06 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 2b8a h GLU 67 Cb 0.65 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2b8a h GLU 67 CO -0.47 0.25 -0.44 0.93 -1.00 0.00 0.00 179.01 178.27 2b8a h GLU 68 N 0.38 0.90 -0.53 2.33 4.39 -1.74 -3.25 114.58 117.07 2b8a h GLU 68 Ca 0.52 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2b8a h GLU 68 Cb 0.96 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2b8a h GLU 68 CO -0.52 1.16 0.00 0.43 -1.16 0.00 0.00 179.01 178.92 2b8a n SER 69 N -4.04 3.54 -0.10 1.42 7.64 -0.11 -4.59 113.62 117.39 2b8a n SER 69 Ca -0.03 -2.07 -0.06 0.00 1.01 0.00 0.00 58.87 57.72 2b8a n SER 69 Cb 0.57 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 63.41 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 3.13 0.20 0.00 1.43 2.10 0.40 0.36 116.57 124.19 2b8a h LYS 70 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2b8a h LYS 70 Cb 0.92 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2b8a h LYS 70 CO 0.03 0.13 0.00 0.93 -2.00 0.00 0.00 179.45 178.54 2b8a h GLU 71 N 0.20 0.00 0.00 0.07 4.39 -1.81 0.66 114.58 118.10 2b8a h GLU 71 Ca 0.17 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 2b8a h GLU 71 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2b8a h GLU 71 CO -0.21 0.00 -0.65 -0.22 -1.16 0.00 0.00 179.01 176.77 2b8a h LYS 72 N 0.00 0.01 -0.01 2.33 3.64 -1.44 -3.40 116.57 117.70 2b8a h LYS 72 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2b8a h LYS 72 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2b8a h LYS 72 CO 0.00 1.01 -0.35 1.19 -2.27 0.00 0.00 179.45 179.03 2b8a n PHE 73 N -4.51 0.00 -1.85 1.91 3.72 0.11 -4.78 117.46 112.07 2b8a n PHE 73 Ca -0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.77 2b8a n PHE 73 Cb 0.59 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.20 4.14 3.24 1.37 0.00 0.23 -4.87 105.19 110.51 2b8a n GLY 74 Ca 0.07 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 3.36 0.70 0.81 1.61 1.02 -1.26 -4.86 119.74 121.12 2b8a s LYS 75 Ca 0.48 -0.27 -0.14 0.00 0.02 0.00 0.00 55.97 56.06 2b8a s LYS 75 Cb 0.13 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.77 2b8a s LYS 75 CO -0.06 -0.20 0.80 -2.30 -0.92 0.00 0.00 175.35 172.66 2b8a n PRO 76 N 1.10 0.13 -2.58 -1.68 -0.02 -1.26 -4.86 135.00 125.83 2b8a n PRO 76 Ca -0.21 0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.32 2b8a n PRO 76 Cb 0.57 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 2b8a n PRO 76 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2b8a n ASN 77 N -1.82 -0.03 0.00 2.55 6.94 -1.26 -5.05 115.26 116.60 2b8a n ASN 77 Ca 0.11 -1.57 0.11 0.00 -0.02 0.00 0.00 54.58 53.21 2b8a n ASN 77 Cb 0.51 0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 38.23 2b8a n ASN 77 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2b8a n LYS 78 N -0.17 0.25 0.13 -3.83 4.76 -1.26 -4.17 118.16 113.86 2b8a n LYS 78 Ca 0.02 -0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.50 2b8a n LYS 78 Cb 0.16 -1.52 0.49 0.00 -1.84 0.00 0.00 35.03 32.32 2b8a n LYS 78 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2b8a n ARG 79 N -1.80 0.17 -1.47 1.97 5.12 -1.26 -4.98 116.66 114.41 2b8a n ARG 79 Ca 0.01 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 2b8a n ARG 79 Cb 0.42 -1.86 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 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 -2.19 -4.13 0.00 5.56 4.76 -1.26 -4.78 118.16 116.12 2b8a n LYS 80 Ca 0.01 3.11 0.00 0.00 -2.87 0.00 0.00 58.31 58.56 2b8a n LYS 80 Cb 0.18 -3.59 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 -1.32 2.51 0.47 0.72 0.00 -1.26 -4.91 105.19 101.39 2b8a n GLY 81 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.19 -0.64 1.61 3.04 -1.93 -2.85 116.94 114.98 2b8a h PHE 82 Ca 0.00 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.06 2b8a h PHE 82 Cb 0.00 0.43 -0.09 0.00 2.56 0.00 0.00 35.95 38.86 2b8a h PHE 82 CO 0.00 -0.65 0.17 0.77 -2.02 0.00 0.00 178.31 176.59 2b8a h SER 83 N -1.04 0.08 -1.09 0.41 0.02 -1.91 0.14 113.55 110.16 2b8a h SER 83 Ca -0.08 0.11 0.30 0.00 -0.84 0.00 0.00 61.79 61.28 2b8a h SER 83 Cb 0.85 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 2b8a h SER 83 CO 0.05 0.04 0.75 -0.08 -1.14 0.00 0.00 176.83 176.45 2b8a h GLU 84 N 0.31 0.16 -0.03 3.45 4.81 -1.90 0.84 114.58 122.22 2b8a h GLU 84 Ca 0.34 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.40 2b8a h GLU 84 Cb 0.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2b8a h GLU 84 CO -0.40 0.10 -0.69 0.78 -0.73 0.00 0.00 179.01 178.07 2b8a h GLY 85 N 0.16 0.15 1.00 1.92 0.00 -0.53 -3.03 103.07 102.74 2b8a h GLY 85 Ca 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2b8a h GLY 85 CO -0.13 0.19 0.39 1.41 0.00 0.00 0.00 176.54 178.40 2b8a h LEU 86 N 0.09 0.73 -0.54 3.11 3.38 0.88 -1.31 115.31 121.66 2b8a h LEU 86 Ca -0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2b8a h LEU 86 Cb 1.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2b8a h LEU 86 CO 0.10 0.56 0.19 -0.25 0.09 0.00 0.00 178.44 179.12 2b8a h TRP 87 N 0.84 0.85 0.21 1.13 7.01 -1.46 -3.03 115.95 121.51 2b8a h TRP 87 Ca 0.23 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 2b8a h TRP 87 Cb -0.06 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.76 2b8a h TRP 87 CO -0.02 0.72 -0.10 0.93 -2.79 0.00 0.00 178.44 177.17 2b8a h GLU 88 N 0.74 -0.27 -0.44 2.65 4.39 -1.35 0.91 114.58 121.21 2b8a h GLU 88 Ca 0.18 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.02 2b8a h GLU 88 Cb 0.25 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2b8a h GLU 88 CO -0.01 -0.07 0.49 0.97 -1.16 0.00 0.00 179.01 179.22 2b8a h ILE 89 N -0.42 0.35 0.00 3.13 6.09 -1.24 1.04 117.51 126.46 2b8a h ILE 89 Ca -0.03 0.00 -0.41 0.00 -1.37 0.00 0.00 64.86 63.05 2b8a h ILE 89 Cb 0.32 0.61 -0.07 0.00 0.47 0.00 0.00 36.82 38.16 2b8a h ILE 89 CO 0.05 0.00 -2.47 1.21 -3.07 0.00 0.00 178.15 173.87 2b8a n GLU 90 N -3.68 0.60 0.08 2.19 0.00 -1.00 -4.22 120.64 114.60 2b8a n GLU 90 Ca 0.08 0.20 -0.12 0.00 0.00 0.00 0.00 57.16 57.31 2b8a n GLU 90 Cb 0.67 -1.48 -0.13 0.00 0.00 0.00 0.00 31.44 30.49 2b8a n GLU 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2b8a h ASN 91 N -0.46 0.24 -1.28 4.31 -0.26 0.12 -3.43 115.58 114.82 2b8a h ASN 91 Ca -0.62 -0.27 -0.16 0.00 -0.56 0.00 0.00 56.30 54.68 2b8a h ASN 91 Cb 1.74 -0.08 -0.22 0.00 -1.06 0.00 0.00 38.32 38.70 2b8a h ASN 91 CO -0.24 1.22 -0.53 0.21 -1.06 0.00 0.00 177.43 177.02 2b8a s ASN 92 N -6.91 -0.75 0.10 5.81 2.47 0.36 -5.00 114.94 111.01 2b8a s ASN 92 Ca -0.03 -1.14 0.25 0.00 0.42 0.00 0.00 52.86 52.37 2b8a s ASN 92 Cb 0.08 1.54 0.98 0.00 -1.45 0.00 0.00 41.25 42.40 2b8a s ASN 92 CO 0.85 -0.18 1.79 -0.81 -3.72 0.00 0.00 177.10 175.03 2b8a n PRO 93 N 4.20 0.11 -0.43 0.43 -0.04 -1.02 -3.11 135.00 135.14 2b8a n PRO 93 Ca 0.12 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 2b8a n PRO 93 Cb 0.54 -1.64 0.27 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.83 1.67 -1.89 0.52 -2.24 -1.26 -4.96 114.28 104.29 2b8a n THR 94 Ca 0.05 -1.31 -0.35 0.00 -2.27 0.00 0.00 64.05 60.17 2b8a n THR 94 Cb 0.33 0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.81 2.64 0.18 2.28 0.11 -1.18 -5.05 120.40 117.57 2b8a s VAL 95 Ca 0.40 0.37 0.02 0.00 -2.93 0.00 0.00 61.98 59.84 2b8a s VAL 95 Cb 0.26 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 2b8a s VAL 95 CO 0.18 -0.11 0.00 -0.54 -3.33 0.00 0.00 175.10 171.30 2b8a s LYS 96 N -3.50 1.14 0.43 1.54 1.02 -1.26 -5.11 119.74 113.99 2b8a s LYS 96 Ca 0.76 -1.55 0.06 0.00 0.02 0.00 0.00 55.97 55.26 2b8a s LYS 96 Cb -0.29 -0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 36.65 2b8a s LYS 96 CO 0.36 -0.13 0.05 0.00 -0.92 0.00 0.00 175.35 174.71 2b8a s ALA 97 N -3.63 3.42 0.56 5.17 0.00 -1.26 -5.06 121.76 120.96 2b8a s ALA 97 Ca 0.25 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2b8a s ALA 97 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2b8a s ALA 97 CO 0.05 -0.12 0.00 0.43 0.00 0.00 0.00 175.76 176.11 2b8a n SER 98 N -1.08 -8.01 0.00 0.00 7.64 -1.26 -5.09 113.62 105.82 2b8a n SER 98 Ca -0.06 1.77 0.00 0.00 1.01 0.00 0.00 58.87 61.59 2b8a n SER 98 Cb 0.66 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 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 -2.62 3.58 3.03 0.23 0.00 -1.26 -5.18 105.19 102.97 2b8a n GLY 99 Ca -0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 0.11 -0.08 1.61 6.14 -1.26 -5.15 117.35 118.72 2b8a s TYR 100 Ca 0.00 -0.24 -0.03 0.00 0.64 0.00 0.00 57.07 57.44 2b8a s TYR 100 Cb 0.00 -0.10 0.04 0.00 0.42 0.00 0.00 41.96 42.33 2b8a s TYR 100 CO 0.00 -0.20 0.16 -0.65 0.64 0.00 0.00 175.55 175.49 2b8a s GLN 101 N -1.17 0.05 0.00 4.97 -0.21 -1.26 -4.83 119.66 117.22 2b8a s GLN 101 Ca -0.13 0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.75 2b8a s GLN 101 Cb -0.07 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.70 2b8a s GLN 101 CO 0.00 -0.26 0.00 0.43 -2.12 0.00 0.00 175.29 173.34 2b8a n SER 102 N 4.94 0.00 -0.99 5.90 7.64 -1.26 -4.87 113.62 124.98 2b8a n SER 102 Ca -0.12 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.88 2b8a n SER 102 Cb 0.50 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 2b8a n SER 102 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2b8a n SER 103 N 0.00 -5.60 -0.78 6.43 7.64 -1.26 -4.93 113.62 115.12 2b8a n SER 103 Ca 0.00 0.46 0.09 0.00 1.01 0.00 0.00 58.87 60.42 2b8a n SER 103 Cb 0.00 -3.18 -0.02 0.00 -1.01 0.00 0.00 64.21 60.00 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 -3.09 -1.29 0.00 1.43 6.02 -1.26 -4.98 117.38 114.21 2b8a n GLN 104 Ca -0.00 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 2b8a n GLN 104 Cb 0.61 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2b8a n GLN 104 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2b8a n LYS 105 N -2.31 0.00 -0.04 -1.09 2.85 -1.26 -4.97 118.16 111.34 2b8a n LYS 105 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2b8a n LYS 105 Cb 0.29 -0.02 -0.12 0.00 -0.65 0.00 0.00 35.03 34.53 2b8a n LYS 105 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2b8a h LYS 106 N 0.00 0.07 -3.23 -1.58 1.79 -2.03 -3.50 116.57 108.09 2b8a h LYS 106 Ca 0.00 -0.08 0.37 0.00 -2.18 0.00 0.00 60.65 58.76 2b8a h LYS 106 Cb 0.00 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 30.56 2b8a h LYS 106 CO 0.00 0.88 -0.69 -1.13 -1.08 0.00 0.00 179.45 177.44 2b8a n SER 107 N -4.60 -8.42 -3.83 0.86 3.41 -1.26 -4.73 113.62 95.04 2b8a n SER 107 Ca -0.10 0.77 -0.30 0.00 -0.26 0.00 0.00 58.87 58.99 2b8a n SER 107 Cb 0.46 -4.45 -0.13 0.00 -0.26 0.00 0.00 64.21 59.82 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b8a n ALA 109 N 3.29 0.00 -0.51 0.00 0.00 -1.26 -5.30 120.51 116.73 2b8a n ALA 109 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2b8a n ALA 109 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2b8a n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59