#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 -0.56 -0.16 6.12 1.04 -1.26 -5.06 113.70 113.82 2b8a s SER 2 Ca 0.00 0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.65 2b8a s SER 2 Cb 0.00 0.57 -0.23 0.00 0.10 0.00 0.00 66.02 66.46 2b8a s SER 2 CO 0.00 -0.88 0.19 -1.14 0.98 0.00 0.00 173.24 172.39 2b8a n ARG 3 N -0.17 0.68 -1.75 4.02 0.63 -1.26 -4.86 116.66 113.94 2b8a n ARG 3 Ca -0.16 0.12 -0.41 0.00 -0.92 0.00 0.00 57.85 56.48 2b8a n ARG 3 Cb 0.63 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 31.91 2b8a n ARG 3 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2b8a s SER 4 N -5.99 5.33 -0.23 6.15 0.01 -1.26 -4.94 113.70 112.76 2b8a s SER 4 Ca -0.15 1.38 0.02 0.00 1.31 0.00 0.00 55.95 58.52 2b8a s SER 4 Cb 0.07 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.83 2b8a s SER 4 CO 0.78 -2.14 -0.14 0.20 0.41 0.00 0.00 173.24 172.35 2b8a s ASN 5 N 8.53 3.95 0.00 2.44 0.01 -1.26 -4.94 114.94 123.66 2b8a s ASN 5 Ca 0.91 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2b8a s ASN 5 Cb -0.24 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 39.89 2b8a s ASN 5 CO 0.31 -0.12 0.00 0.54 -1.51 0.00 0.00 177.10 176.33 2b8a n ARG 6 N 4.51 0.00 -3.59 -0.60 1.74 -1.26 -5.10 116.66 112.36 2b8a n ARG 6 Ca -0.17 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.79 2b8a n ARG 6 Cb 0.45 -0.89 -0.06 0.00 -1.02 0.00 0.00 32.46 30.94 2b8a n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b8a s GLN 7 N -2.00 0.70 -0.31 5.56 -0.21 -1.26 -5.14 119.66 117.00 2b8a s GLN 7 Ca 0.00 0.39 -0.09 0.00 0.02 0.00 0.00 55.36 55.68 2b8a s GLN 7 Cb 0.00 0.33 -0.00 0.00 1.00 0.00 0.00 33.01 34.34 2b8a s GLN 7 CO 0.00 -0.17 0.13 0.21 -2.12 0.00 0.00 175.29 173.33 2b8a s LYS 8 N -0.60 3.24 0.00 2.91 2.47 -1.26 -5.09 119.74 121.41 2b8a s LYS 8 Ca -0.02 -0.78 -0.10 0.00 -1.56 0.00 0.00 55.97 53.51 2b8a s LYS 8 Cb -0.02 -3.50 -0.05 0.00 -1.46 0.00 0.00 37.83 32.80 2b8a s LYS 8 CO 0.01 -0.43 0.33 -1.21 0.16 0.00 0.00 175.35 174.21 2b8a s GLU 9 N 1.57 3.72 0.24 4.03 8.01 -1.26 -5.04 118.70 129.96 2b8a s GLU 9 Ca 0.04 0.15 0.10 0.00 0.01 0.00 0.00 54.97 55.26 2b8a s GLU 9 Cb -0.17 -3.12 -0.04 0.00 -4.31 0.00 0.00 34.13 26.48 2b8a s GLU 9 CO 0.05 0.66 -0.06 0.71 0.01 0.00 0.00 175.26 176.63 2b8a s TYR 10 N -1.21 2.63 0.14 1.61 1.51 -1.26 -5.15 117.35 115.62 2b8a s TYR 10 Ca 0.26 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 56.14 2b8a s TYR 10 Cb -0.14 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2b8a s TYR 10 CO 0.14 0.59 -0.12 0.15 -1.11 0.00 0.00 175.55 175.20 2b8a s LYS 11 N -3.34 1.06 0.18 -0.62 -0.14 -1.26 -5.08 119.74 110.54 2b8a s LYS 11 Ca 0.29 -1.36 -0.33 0.00 -1.36 0.00 0.00 55.97 53.21 2b8a s LYS 11 Cb -0.07 -0.79 -0.14 0.00 -1.68 0.00 0.00 37.83 35.14 2b8a s LYS 11 CO 0.18 0.13 1.46 0.00 -0.76 0.00 0.00 175.35 176.35 2b8a n GLY 13 N 2.78 1.02 3.77 0.00 0.00 0.25 -4.96 105.19 108.05 2b8a n GLY 13 Ca 0.15 0.00 -0.39 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 -1.96 6.89 -0.27 1.61 2.15 -0.65 -4.73 116.67 119.71 2b8a s ASP 14 Ca 0.00 2.24 -0.18 0.00 0.43 0.00 0.00 52.55 55.03 2b8a s ASP 14 Cb 0.00 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 2b8a s ASP 14 CO 0.00 -0.41 0.54 -0.76 -0.17 0.00 0.00 175.17 174.37 2b8a s LEU 15 N -2.11 4.07 0.20 -1.34 1.43 -1.26 -0.99 118.68 118.69 2b8a s LEU 15 Ca 0.52 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 54.13 2b8a s LEU 15 Cb -0.29 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2b8a s LEU 15 CO 0.37 -0.32 0.15 0.68 0.23 0.00 0.00 176.35 177.46 2b8a s VAL 16 N 2.37 0.00 -0.10 -1.59 -7.23 -0.05 -2.40 120.40 111.40 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 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 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 -4.14 2.98 -0.19 2.82 0.08 0.21 -0.96 117.98 118.78 2b8a s PHE 17 Ca 0.38 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 2b8a s PHE 17 Cb 0.06 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2b8a s PHE 17 CO 0.12 0.21 -0.09 0.00 -0.10 0.00 0.00 175.22 175.36 2b8a s ALA 18 N -0.41 2.68 -0.13 5.36 0.00 -1.05 -1.35 121.76 126.85 2b8a s ALA 18 Ca 0.06 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2b8a s ALA 18 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2b8a s ALA 18 CO 0.02 -0.23 0.51 0.21 0.00 0.00 0.00 175.76 176.27 2b8a s LYS 19 N 1.14 4.32 0.07 0.00 2.47 -0.72 -1.83 119.74 125.18 2b8a s LYS 19 Ca 0.01 0.48 0.07 0.00 -1.56 0.00 0.00 55.97 54.97 2b8a s LYS 19 Cb -0.14 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 32.73 2b8a s LYS 19 CO -0.03 0.08 -0.18 -1.64 0.16 0.00 0.00 175.35 173.74 2b8a s MET 20 N 0.87 1.09 0.10 4.03 -1.94 -1.25 -4.92 119.30 117.28 2b8a s MET 20 Ca 0.27 -1.00 -0.31 0.00 -1.71 0.00 0.00 55.69 52.94 2b8a s MET 20 Cb -0.15 -1.22 -0.09 0.00 2.01 0.00 0.00 34.83 35.37 2b8a s MET 20 CO 0.11 0.29 1.73 -1.59 -0.01 0.00 0.00 175.02 175.55 2b8a s LYS 21 N -1.58 4.17 0.00 2.03 -2.85 -1.26 -1.67 119.74 118.58 2b8a s LYS 21 Ca 0.04 2.46 0.00 0.00 -1.00 0.00 0.00 55.97 57.47 2b8a s LYS 21 Cb -0.09 -3.57 0.00 0.00 -2.06 0.00 0.00 37.83 32.10 2b8a s LYS 21 CO 0.03 -0.78 0.00 0.41 0.10 0.00 0.00 175.35 175.11 2b8a n GLY 22 N 4.10 0.61 3.36 0.59 0.00 -1.26 -5.03 105.19 107.56 2b8a n GLY 22 Ca 0.17 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 0.67 1.61 2.02 -0.67 -5.11 117.35 113.51 2b8a s TYR 23 Ca 0.00 0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 57.10 2b8a s TYR 23 Cb 0.00 0.25 0.03 0.00 -0.40 0.00 0.00 41.96 41.84 2b8a s TYR 23 CO 0.00 -0.55 1.01 -1.25 -1.57 0.00 0.00 175.55 173.19 2b8a s PRO 24 N -1.89 2.65 -0.35 -1.71 0.04 -1.26 -3.80 135.00 128.68 2b8a s PRO 24 Ca -0.09 0.10 -0.40 0.00 0.04 0.00 0.00 61.00 60.65 2b8a s PRO 24 Cb -0.02 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 2b8a s PRO 24 CO 0.02 -1.00 1.96 0.72 0.04 0.00 0.00 177.00 178.74 2b8a n HIS 25 N -2.86 1.73 -3.64 0.56 8.25 -1.26 -4.62 115.22 113.38 2b8a n HIS 25 Ca 0.06 0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 2b8a n HIS 25 Cb 0.58 -2.44 -0.07 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 5.25 3.44 -0.12 4.41 -0.11 -0.76 -4.84 118.94 126.21 2b8a s TRP 26 Ca 1.06 0.46 -0.35 0.00 1.22 0.00 0.00 56.10 58.50 2b8a s TRP 26 Cb -1.10 -2.24 -0.12 0.00 -1.50 0.00 0.00 33.47 28.51 2b8a s TRP 26 CO 0.61 0.28 1.89 -0.35 -4.62 0.00 0.00 176.95 174.76 2b8a n PRO 27 N 3.50 2.04 -4.16 5.86 -0.04 -1.26 -2.52 135.00 138.42 2b8a n PRO 27 Ca -0.14 0.74 -0.15 0.00 -0.04 0.00 0.00 63.50 63.91 2b8a n PRO 27 Cb 0.52 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 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 4.23 1.05 0.05 0.55 0.00 -0.13 -2.33 121.76 125.18 2b8a s ALA 28 Ca 0.94 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 2b8a s ALA 28 Cb -0.73 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 2b8a s ALA 28 CO 0.53 -0.71 0.06 0.50 0.00 0.00 0.00 175.76 176.14 2b8a s ARG 29 N -3.57 0.61 0.16 0.00 3.52 -0.96 -0.87 118.95 117.84 2b8a s ARG 29 Ca 0.35 -0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 2b8a s ARG 29 Cb 0.02 0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 33.57 2b8a s ARG 29 CO 0.19 -0.15 1.01 0.42 -0.81 0.00 0.00 175.30 175.96 2b8a s ILE 30 N -3.13 4.16 0.00 4.11 -1.09 -0.16 -1.91 121.20 123.18 2b8a s ILE 30 Ca -0.00 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 2b8a s ILE 30 Cb 0.02 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2b8a s ILE 30 CO -0.07 0.34 0.00 -0.67 -1.23 0.00 0.00 174.94 173.31 2b8a n ASP 31 N 2.34 3.62 -3.52 3.58 2.03 -0.89 -0.58 116.55 123.13 2b8a n ASP 31 Ca 0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.19 2b8a n ASP 31 Cb 0.48 0.67 -0.05 0.00 -0.72 0.00 0.00 41.12 41.50 2b8a n ASP 31 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2b8a s GLU 32 N -1.49 0.93 0.22 -0.67 -6.30 -1.21 -4.92 118.70 105.27 2b8a s GLU 32 Ca 0.00 0.04 -0.17 0.00 -2.50 0.00 0.00 54.97 52.34 2b8a s GLU 32 Cb 0.00 0.44 0.02 0.00 0.00 0.00 0.00 34.13 34.59 2b8a s GLU 32 CO 0.00 -0.33 0.53 0.00 0.02 0.00 0.00 175.26 175.48 2b8a s MET 33 N -1.82 1.47 1.26 4.30 0.23 -1.26 -2.48 119.30 120.99 2b8a s MET 33 Ca -0.04 -0.98 -0.15 0.00 -1.03 0.00 0.00 55.69 53.48 2b8a s MET 33 Cb -0.00 0.52 0.32 0.00 -1.53 0.00 0.00 34.83 34.14 2b8a s MET 33 CO 0.02 -0.63 0.99 -2.14 -2.03 0.00 0.00 175.02 171.23 2b8a s PRO 34 N -3.91 -1.69 -0.13 3.16 0.02 -1.26 -5.00 135.00 126.19 2b8a s PRO 34 Ca 0.13 0.66 0.09 0.00 0.02 0.00 0.00 61.00 61.89 2b8a s PRO 34 Cb -0.01 -1.48 -0.14 0.00 0.02 0.00 0.00 34.50 32.88 2b8a s PRO 34 CO 0.01 -4.19 0.01 -0.85 -0.33 0.00 0.00 177.00 171.66 2b8a n GLU 35 N -5.22 1.75 0.00 5.54 0.28 -1.26 -4.96 120.64 116.76 2b8a n GLU 35 Ca 0.05 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2b8a n GLU 35 Cb 0.56 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.11 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 -2.53 0.00 0.01 -1.84 0.00 -1.26 -5.05 120.51 109.83 2b8a n ALA 36 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2b8a n ALA 36 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.19 2.43 -2.50 0.00 0.00 -1.26 -5.14 120.51 112.85 2b8a n ALA 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2b8a n ALA 37 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2b8a n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b8a n VAL 38 N -2.55-12.67 0.59 0.00 0.31 -1.26 -4.81 118.33 97.94 2b8a n VAL 38 Ca 0.00 2.76 0.12 0.00 -0.01 0.00 0.00 64.34 67.22 2b8a n VAL 38 Cb 0.00 -6.37 0.46 0.00 -0.91 0.00 0.00 33.84 27.01 2b8a n VAL 38 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2b8a n LYS 39 N 1.66 0.17 0.02 5.55 4.76 -1.26 -3.28 118.16 125.79 2b8a n LYS 39 Ca -0.34 0.26 -0.19 0.00 -2.87 0.00 0.00 58.31 55.16 2b8a n LYS 39 Cb 0.53 -1.75 -0.11 0.00 -1.84 0.00 0.00 35.03 31.86 2b8a n LYS 39 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2b8a h SER 40 N 0.00 0.65 -3.51 4.39 0.87 -2.05 -3.43 113.55 110.48 2b8a h SER 40 Ca 0.00 -0.77 -0.62 0.00 -1.23 0.00 0.00 61.79 59.17 2b8a h SER 40 Cb 0.53 -0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 62.17 2b8a h SER 40 CO 0.00 1.34 0.23 0.28 -0.53 0.00 0.00 176.83 178.16 2b8a s THR 41 N -3.17 4.88 -0.35 2.23 -1.32 -1.21 -4.94 115.64 111.76 2b8a s THR 41 Ca -0.12 0.92 -0.05 0.00 -1.21 0.00 0.00 61.69 61.23 2b8a s THR 41 Cb 0.04 -4.06 -0.16 0.00 -1.51 0.00 0.00 72.50 66.81 2b8a s THR 41 CO 0.86 -0.21 2.68 0.00 -2.21 0.00 0.00 174.62 175.74 2b8a n ALA 42 N 6.02 5.18 -3.45 11.08 0.00 -1.26 -4.44 120.51 133.64 2b8a n ALA 42 Ca 0.01 -1.70 -0.19 0.00 0.00 0.00 0.00 53.44 51.56 2b8a n ALA 42 Cb 0.49 -2.55 0.09 0.00 0.00 0.00 0.00 19.45 17.47 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 3.03 -3.29 -4.05 0.00 5.15 -1.26 -5.01 115.26 109.82 2b8a n ASN 43 Ca 0.39 -0.58 -0.21 0.00 -0.60 0.00 0.00 54.58 53.58 2b8a n ASN 43 Cb 0.52 -5.01 -0.15 0.00 -0.53 0.00 0.00 39.78 34.61 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 -5.61 1.01 0.33 1.20 1.02 -1.26 -4.57 119.74 111.86 2b8a s LYS 44 Ca 0.17 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.77 2b8a s LYS 44 Cb -0.07 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.25 2b8a s LYS 44 CO 0.72 0.21 0.52 0.71 -0.92 0.00 0.00 175.35 176.59 2b8a s TYR 45 N -0.12 3.49 -0.45 3.18 1.51 0.79 -4.79 117.35 120.96 2b8a s TYR 45 Ca 0.02 0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 56.22 2b8a s TYR 45 Cb -0.06 -1.85 0.05 0.00 -0.11 0.00 0.00 41.96 39.98 2b8a s TYR 45 CO -0.00 0.17 0.38 -1.14 -1.11 0.00 0.00 175.55 173.85 2b8a s GLN 46 N -4.26 3.00 -0.03 -0.62 0.74 -1.04 -1.80 119.66 115.65 2b8a s GLN 46 Ca 0.39 -1.13 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 2b8a s GLN 46 Cb -0.10 -4.06 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 2b8a s GLN 46 CO 0.35 -0.92 0.09 0.08 -0.55 0.00 0.00 175.29 174.34 2b8a s VAL 47 N 1.79 4.87 -0.23 1.34 1.01 -0.66 -2.11 120.40 126.41 2b8a s VAL 47 Ca 0.06 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2b8a s VAL 47 Cb -0.21 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2b8a s VAL 47 CO 0.09 0.43 0.05 0.12 0.00 0.00 0.00 175.10 175.79 2b8a s PHE 48 N -1.14 3.10 -0.43 5.22 5.36 -0.80 -2.58 117.98 126.71 2b8a s PHE 48 Ca 0.21 -0.34 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 2b8a s PHE 48 Cb -0.12 -2.18 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 2b8a s PHE 48 CO 0.11 -0.24 0.51 -0.06 -1.46 0.00 0.00 175.22 174.08 2b8a s PHE 49 N 1.27 3.13 1.46 10.12 0.08 0.10 -2.28 117.98 131.87 2b8a s PHE 49 Ca 0.05 -0.26 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 2b8a s PHE 49 Cb -0.15 -3.06 0.38 0.00 -0.57 0.00 0.00 43.02 39.62 2b8a s PHE 49 CO 0.03 -0.76 0.88 1.19 -0.10 0.00 0.00 175.22 176.45 2b8a n PHE 50 N 5.85 -3.55 0.00 0.36 3.72 -0.98 0.11 117.46 122.96 2b8a n PHE 50 Ca -0.05 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 2b8a n PHE 50 Cb 0.48 -1.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 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 1.83 0.77 0.10 1.37 0.00 -1.25 -3.30 105.19 104.71 2b8a n GLY 51 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 0.82 -3.03 2.61 -2.24 -1.24 -4.79 114.28 106.40 2b8a n THR 52 Ca 0.00 -0.61 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 2b8a n THR 52 Cb 0.00 -0.47 0.04 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.72 -1.83 -3.20 4.78 -0.00 0.30 -5.00 115.22 107.54 2b8a n HIS 53 Ca -0.05 0.55 -0.29 0.00 -0.00 0.00 0.00 57.72 57.93 2b8a n HIS 53 Cb 0.69 -4.01 -0.03 0.00 -0.00 0.00 0.00 29.99 26.64 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 -5.66 3.66 0.01 -0.41 2.02 -0.77 -4.81 118.70 112.74 2b8a s GLU 54 Ca 0.32 0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.48 2b8a s GLU 54 Cb -0.14 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 2b8a s GLU 54 CO 0.39 0.14 -0.20 0.95 0.02 0.00 0.00 175.26 176.56 2b8a s THR 55 N -2.18 1.60 0.24 3.63 -4.23 -1.26 0.02 115.64 113.46 2b8a s THR 55 Ca 0.46 -0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 2b8a s THR 55 Cb -0.11 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.39 2b8a s THR 55 CO 0.31 0.36 0.56 0.00 -0.54 0.00 0.00 174.62 175.30 2b8a s ALA 56 N -0.59 -0.74 -0.19 3.99 0.00 -1.07 -5.02 121.76 118.14 2b8a s ALA 56 Ca 0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 2b8a s ALA 56 Cb -0.08 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2b8a s ALA 56 CO 0.00 -0.89 -0.01 -0.06 0.00 0.00 0.00 175.76 174.80 2b8a s PHE 57 N -3.94 3.03 0.09 0.00 0.40 -1.26 -1.66 117.98 114.64 2b8a s PHE 57 Ca 0.15 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2b8a s PHE 57 Cb -0.02 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2b8a s PHE 57 CO 0.05 -0.23 0.00 -0.51 0.70 0.00 0.00 175.22 175.23 2b8a s LEU 58 N 0.93 2.19 0.73 -0.37 1.43 -0.75 -4.89 118.68 117.96 2b8a s LEU 58 Ca 0.01 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.01 2b8a s LEU 58 Cb -0.14 0.21 0.13 0.00 0.03 0.00 0.00 46.19 46.42 2b8a s LEU 58 CO 0.02 -0.64 1.00 -0.83 0.23 0.00 0.00 176.35 176.13 2b8a s GLY 59 N -2.99 1.76 0.46 -3.19 0.00 -1.26 -0.15 107.32 101.95 2b8a s GLY 59 Ca 0.15 -1.72 0.23 0.00 0.00 0.00 0.00 44.72 43.38 2b8a s GLY 59 CO -0.05 -1.15 1.93 -0.56 0.00 0.00 0.00 173.10 173.28 2b8a h PRO 60 N -0.55 0.00 0.00 2.90 0.13 -1.93 -2.51 132.00 130.04 2b8a h PRO 60 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2b8a h PRO 60 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2b8a h PRO 60 CO 0.40 0.22 -0.08 0.87 -0.23 0.00 0.00 178.00 179.18 2b8a h LYS 61 N 0.00 0.00 -0.36 0.86 1.57 -1.97 -2.41 116.57 114.25 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2b8a h LYS 61 CO 0.03 0.08 0.00 -0.25 -0.57 0.00 0.00 179.45 178.74 2b8a n ASP 62 N -3.25 3.38 -4.49 0.86 8.00 -0.95 -4.92 116.55 115.19 2b8a n ASP 62 Ca -0.00 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 2b8a n ASP 62 Cb 0.31 -0.23 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.52 2.82 0.14 0.64 1.43 -0.91 -1.76 118.68 119.52 2b8a s LEU 63 Ca 0.38 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2b8a s LEU 63 Cb 0.23 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2b8a s LEU 63 CO 0.32 0.34 0.01 -0.36 0.23 0.00 0.00 176.35 176.89 2b8a s PHE 64 N -0.72 0.99 -0.36 0.29 0.40 -0.46 -4.91 117.98 113.21 2b8a s PHE 64 Ca 0.11 -1.09 -0.29 0.00 -0.60 0.00 0.00 56.93 55.07 2b8a s PHE 64 Cb -0.11 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 42.85 2b8a s PHE 64 CO 0.01 -0.33 1.44 -2.14 0.70 0.00 0.00 175.22 174.90 2b8a s PRO 65 N -3.95 3.65 0.13 0.24 0.02 -1.26 -0.62 135.00 133.20 2b8a s PRO 65 Ca 0.21 1.13 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 2b8a s PRO 65 Cb 0.07 -4.01 -0.07 0.00 0.02 0.00 0.00 34.50 30.51 2b8a s PRO 65 CO 0.01 -1.46 1.58 -0.92 -0.33 0.00 0.00 177.00 175.88 2b8a h TYR 66 N 10.57 -1.21 -0.96 6.54 3.20 -1.76 0.30 116.97 133.65 2b8a h TYR 66 Ca -0.28 0.04 0.19 0.00 3.14 0.00 0.00 58.73 61.82 2b8a h TYR 66 Cb 1.11 0.54 -0.11 0.00 1.54 0.00 0.00 36.73 39.81 2b8a h TYR 66 CO 0.94 -0.49 0.55 0.93 -1.64 0.00 0.00 178.16 178.46 2b8a h GLU 67 N -0.54 0.67 -0.38 1.82 5.08 -1.92 2.21 114.58 121.52 2b8a h GLU 67 Ca 0.06 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2b8a h GLU 67 Cb 0.64 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2b8a h GLU 67 CO -0.35 0.44 -0.40 0.93 -1.00 0.00 0.00 179.01 178.63 2b8a h GLU 68 N 0.69 0.94 -0.40 2.33 4.39 -1.72 -3.25 114.58 117.56 2b8a h GLU 68 Ca 0.56 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2b8a h GLU 68 Cb 0.89 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2b8a h GLU 68 CO -0.40 1.16 0.00 0.43 -1.16 0.00 0.00 179.01 179.04 2b8a n SER 69 N -4.05 3.58 -0.13 1.42 7.64 0.00 -4.63 113.62 117.45 2b8a n SER 69 Ca -0.02 -2.36 -0.05 0.00 1.01 0.00 0.00 58.87 57.45 2b8a n SER 69 Cb 0.55 -0.39 0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 2.46 0.33 0.00 1.43 2.10 0.36 0.45 116.57 123.69 2b8a h LYS 70 Ca 0.00 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.58 2b8a h LYS 70 Cb 1.07 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 2b8a h LYS 70 CO 0.10 0.22 -0.26 1.05 -2.00 0.00 0.00 179.45 178.56 2b8a h GLU 71 N 0.34 0.00 0.04 0.07 4.11 -1.82 0.87 114.58 118.19 2b8a h GLU 71 Ca 0.19 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.46 2b8a h GLU 71 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2b8a h GLU 71 CO -0.18 0.26 -0.86 0.87 0.07 0.00 0.00 179.01 179.17 2b8a h LYS 72 N 0.00 0.09 -0.01 1.06 1.57 -1.60 -3.39 116.57 114.30 2b8a h LYS 72 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2b8a h LYS 72 Cb 0.73 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2b8a h LYS 72 CO 0.03 1.08 -0.74 1.19 -0.57 0.00 0.00 179.45 180.44 2b8a n PHE 73 N -4.32 0.00 -2.14 -1.35 3.72 0.15 -4.74 117.46 108.77 2b8a n PHE 73 Ca -0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 2b8a n PHE 73 Cb 0.69 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 2b8a n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b8a n GLY 74 N 1.43 4.03 3.23 1.37 0.00 0.30 -4.89 105.19 110.66 2b8a n GLY 74 Ca 0.06 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 2.65 0.80 0.79 1.61 1.02 -1.26 -4.84 119.74 120.51 2b8a s LYS 75 Ca 0.46 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.71 2b8a s LYS 75 Cb 0.10 0.34 0.03 0.00 -0.52 0.00 0.00 37.83 37.77 2b8a s LYS 75 CO -0.03 -0.25 0.87 -0.35 -0.92 0.00 0.00 175.35 174.67 2b8a n PRO 76 N 0.49 0.21 -4.30 -1.68 -0.04 -1.26 -4.81 135.00 123.62 2b8a n PRO 76 Ca -0.18 0.13 -0.17 0.00 -0.04 0.00 0.00 63.50 63.24 2b8a n PRO 76 Cb 0.60 -2.16 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.84 1.17 0.09 3.54 3.04 -1.26 -5.02 114.94 114.66 2b8a s ASN 77 Ca 0.69 -1.50 0.23 0.00 0.04 0.00 0.00 52.86 52.32 2b8a s ASN 77 Cb -0.31 0.35 0.11 0.00 -1.54 0.00 0.00 41.25 39.87 2b8a s ASN 77 CO 0.55 -0.86 1.10 1.17 -3.04 0.00 0.00 177.10 176.02 2b8a n LYS 78 N -0.49 0.36 0.13 0.43 0.00 -1.26 -3.90 118.16 113.43 2b8a n LYS 78 Ca 0.02 0.04 0.11 0.00 0.00 0.00 0.00 58.31 58.47 2b8a n LYS 78 Cb 0.65 -1.66 0.51 0.00 0.00 0.00 0.00 35.03 34.53 2b8a n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2b8a n ARG 79 N -2.14 0.16 -1.40 1.64 5.12 -1.26 -4.97 116.66 113.82 2b8a n ARG 79 Ca 0.02 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 2b8a n ARG 79 Cb 0.46 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 -2.20 -3.98 0.00 5.56 4.76 -1.25 -4.77 118.16 116.28 2b8a n LYS 80 Ca 0.01 2.98 0.00 0.00 -2.87 0.00 0.00 58.31 58.43 2b8a n LYS 80 Cb 0.15 -3.41 0.00 0.00 -1.84 0.00 0.00 35.03 29.93 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 -1.13 2.76 0.36 0.72 0.00 -1.26 -4.90 105.19 101.74 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 -0.83 -0.66 1.61 3.04 -1.90 -2.86 116.94 115.34 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 0.29 -0.08 0.00 2.56 0.00 0.00 35.95 38.72 2b8a h PHE 82 CO 0.00 -0.49 0.24 0.77 -2.02 0.00 0.00 178.31 176.80 2b8a h SER 83 N -0.82 0.21 -1.11 0.41 0.02 -1.90 0.13 113.55 110.49 2b8a h SER 83 Ca -0.07 0.09 0.32 0.00 -0.84 0.00 0.00 61.79 61.29 2b8a h SER 83 Cb 0.66 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 2b8a h SER 83 CO 0.09 0.11 0.79 -0.33 -1.14 0.00 0.00 176.83 176.34 2b8a h GLU 84 N 0.40 0.06 -0.03 3.45 4.39 -1.88 0.84 114.58 121.80 2b8a h GLU 84 Ca 0.34 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.88 2b8a h GLU 84 Cb 0.47 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2b8a h GLU 84 CO -0.35 0.04 -0.70 0.78 -1.16 0.00 0.00 179.01 177.61 2b8a h GLY 85 N 0.06 0.17 1.00 -3.84 0.00 -0.61 -2.99 103.07 96.86 2b8a h GLY 85 Ca 0.54 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2b8a h GLY 85 CO -0.05 0.21 0.37 1.41 0.00 0.00 0.00 176.54 178.48 2b8a h LEU 86 N 0.10 0.72 -0.38 3.11 3.38 0.80 -0.49 115.31 122.55 2b8a h LEU 86 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2b8a h LEU 86 Cb 1.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2b8a h LEU 86 CO 0.10 0.56 0.12 -0.25 0.09 0.00 0.00 178.44 179.06 2b8a h TRP 87 N 0.81 0.62 0.13 1.13 7.01 -1.49 -3.02 115.95 121.14 2b8a h TRP 87 Ca 0.22 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2b8a h TRP 87 Cb -0.03 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2b8a h TRP 87 CO -0.02 0.58 -0.06 0.93 -2.79 0.00 0.00 178.44 177.08 2b8a h GLU 88 N 0.47 -0.17 -0.72 2.65 3.07 -1.34 0.90 114.58 119.45 2b8a h GLU 88 Ca 0.12 0.01 0.21 0.00 -0.50 0.00 0.00 59.36 59.20 2b8a h GLU 88 Cb 0.26 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2b8a h GLU 88 CO -0.00 0.04 0.59 0.97 -1.40 0.00 0.00 179.01 179.20 2b8a h ILE 89 N -0.35 0.48 0.01 3.13 6.09 -1.10 1.25 117.51 127.01 2b8a h ILE 89 Ca -0.02 0.00 -0.41 0.00 -1.37 0.00 0.00 64.86 63.06 2b8a h ILE 89 Cb 0.28 0.57 -0.06 0.00 0.47 0.00 0.00 36.82 38.08 2b8a h ILE 89 CO 0.03 0.00 -2.42 -0.62 -3.07 0.00 0.00 178.15 172.07 2b8a n GLU 90 N -4.04 0.63 0.08 2.19 1.02 -1.04 -4.18 120.64 115.30 2b8a n GLU 90 Ca 0.14 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2b8a n GLU 90 Cb 0.85 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.22 -1.24 1.62 -0.26 0.12 -3.43 115.58 112.15 2b8a h ASN 91 Ca -0.61 -0.24 -0.13 0.00 -0.56 0.00 0.00 56.30 54.77 2b8a h ASN 91 Cb 1.76 -0.07 -0.22 0.00 -1.06 0.00 0.00 38.32 38.73 2b8a h ASN 91 CO -0.23 1.18 -0.50 0.21 -1.06 0.00 0.00 177.43 177.04 2b8a s ASN 92 N -6.93 -0.88 0.04 5.81 2.47 0.43 -5.00 114.94 110.88 2b8a s ASN 92 Ca -0.02 -0.87 0.26 0.00 0.42 0.00 0.00 52.86 52.66 2b8a s ASN 92 Cb 0.08 1.63 1.08 0.00 -1.45 0.00 0.00 41.25 42.59 2b8a s ASN 92 CO 0.85 -0.21 1.83 -0.81 -3.72 0.00 0.00 177.10 175.04 2b8a n PRO 93 N 4.49 0.04 -0.40 0.43 -0.04 -1.06 -3.08 135.00 135.38 2b8a n PRO 93 Ca 0.10 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 2b8a n PRO 93 Cb 0.54 -1.55 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.62 1.30 -1.85 0.52 -2.24 -1.26 -4.95 114.28 104.18 2b8a n THR 94 Ca 0.06 -1.10 -0.39 0.00 -2.27 0.00 0.00 64.05 60.35 2b8a n THR 94 Cb 0.32 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.33 2.21 0.19 2.28 0.11 -1.18 -5.03 120.40 117.65 2b8a s VAL 95 Ca 0.44 0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.61 2b8a s VAL 95 Cb 0.25 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.98 2b8a s VAL 95 CO 0.26 0.01 0.19 -1.59 -3.33 0.00 0.00 175.10 170.64 2b8a s LYS 96 N -2.72 1.22 -0.20 1.54 0.00 -1.26 -5.06 119.74 113.25 2b8a s LYS 96 Ca 0.67 -1.50 0.12 0.00 0.00 0.00 0.00 55.97 55.26 2b8a s LYS 96 Cb -0.40 0.31 0.42 0.00 0.00 0.00 0.00 37.83 38.16 2b8a s LYS 96 CO 0.49 -0.42 1.22 0.00 0.00 0.00 0.00 175.35 176.64 2b8a n ALA 97 N -0.26 3.62 -1.51 0.59 0.00 -1.26 -5.06 120.51 116.62 2b8a n ALA 97 Ca -0.01 -3.27 -0.34 0.00 0.00 0.00 0.00 53.44 49.82 2b8a n ALA 97 Cb 0.65 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.79 2b8a n ALA 97 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2b8a s SER 98 N -3.20 4.83 0.00 0.00 1.04 -1.26 -5.04 113.70 110.07 2b8a s SER 98 Ca 0.38 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.02 2b8a s SER 98 Cb 0.37 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2b8a s SER 98 CO -0.07 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 172.93 2b8a n GLY 99 N 0.04 3.03 2.65 7.32 0.00 -1.26 -5.06 105.19 111.91 2b8a n GLY 99 Ca 0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 2b8a n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2b8a n TYR 100 N 0.00 -3.68 -3.78 1.61 9.36 -1.26 -5.07 117.16 114.34 2b8a n TYR 100 Ca 0.00 1.61 -0.10 0.00 3.32 0.00 0.00 57.90 62.73 2b8a n TYR 100 Cb 0.00 -3.86 -0.01 0.00 -0.63 0.00 0.00 39.34 34.84 2b8a n TYR 100 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2b8a n GLN 101 N 0.52 1.27 -1.31 2.98 6.02 -1.26 -5.07 117.38 120.53 2b8a n GLN 101 Ca 0.02 -1.29 0.17 0.00 -0.01 0.00 0.00 57.00 55.88 2b8a n GLN 101 Cb 0.06 0.19 -0.06 0.00 1.02 0.00 0.00 30.24 31.45 2b8a n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2b8a n SER 102 N -1.76 -7.89 -1.43 1.08 2.88 -1.26 -5.03 113.62 100.21 2b8a n SER 102 Ca -0.02 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2b8a n SER 102 Cb 0.23 -4.24 0.00 0.00 -0.75 0.00 0.00 64.21 59.46 2b8a n SER 102 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2b8a n SER 103 N -4.14 -7.81 -2.67 -3.46 2.88 -1.26 -4.96 113.62 92.21 2b8a n SER 103 Ca -0.03 1.20 -0.01 0.00 -1.33 0.00 0.00 58.87 58.70 2b8a n SER 103 Cb 0.61 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2b8a n SER 103 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2b8a n GLN 104 N -1.13 -3.17 -4.35 -1.46 7.27 -1.26 -5.06 117.38 108.21 2b8a n GLN 104 Ca 0.00 2.59 -0.21 0.00 0.07 0.00 0.00 57.00 59.45 2b8a n GLN 104 Cb 0.06 -5.22 -0.11 0.00 2.41 0.00 0.00 30.24 27.38 2b8a n GLN 104 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2b8a s LYS 105 N -1.71 1.33 -0.01 3.69 2.47 -1.26 -5.05 119.74 119.20 2b8a s LYS 105 Ca 0.04 -1.50 0.01 0.00 -1.56 0.00 0.00 55.97 52.95 2b8a s LYS 105 Cb -0.01 -1.30 -0.01 0.00 -1.46 0.00 0.00 37.83 35.05 2b8a s LYS 105 CO 0.74 0.25 -0.01 0.36 0.16 0.00 0.00 175.35 176.86 2b8a n LYS 106 N -0.02 1.82 -2.51 4.03 0.00 -1.26 -5.02 118.16 115.20 2b8a n LYS 106 Ca -0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.01 2b8a n LYS 106 Cb 0.58 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.58 2b8a n LYS 106 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2b8a n SER 107 N -2.31 -5.68 -1.44 -5.58 7.64 -1.26 -4.69 113.62 100.30 2b8a n SER 107 Ca -0.02 -0.08 0.18 0.00 1.01 0.00 0.00 58.87 59.96 2b8a n SER 107 Cb 0.54 -4.67 -0.08 0.00 -1.01 0.00 0.00 64.21 58.99 2b8a n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b8a n ALA 109 N -3.89 0.00 1.23 0.00 0.00 -1.26 -5.27 120.51 111.33 2b8a n ALA 109 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2b8a n ALA 109 Cb 0.68 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.43 2b8a n ALA 109 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65