#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t s PRO 2 N 0.00 -0.44 0.37 0.03 0.04 -1.26 -5.09 135.00 128.65 1b8t s PRO 2 Ca 0.00 -0.30 0.08 0.00 0.04 0.00 0.00 61.00 60.82 1b8t s PRO 2 Cb 0.00 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 1b8t s PRO 2 CO 0.00 -3.15 0.05 0.54 0.04 0.00 0.00 177.00 174.47 1b8t s ASN 3 N -4.44 4.15 0.06 6.66 4.22 -1.26 -5.15 114.94 119.18 1b8t s ASN 3 Ca 0.73 -1.10 0.01 0.00 -2.14 0.00 0.00 52.86 50.36 1b8t s ASN 3 Cb -0.06 -0.48 -0.04 0.00 1.28 0.00 0.00 41.25 41.96 1b8t s ASN 3 CO 0.55 -0.35 -0.05 0.26 -2.04 0.00 0.00 177.10 175.46 1b8t s TRP 4 N -2.58 0.65 0.00 1.54 0.52 -1.26 -5.16 118.94 112.64 1b8t s TRP 4 Ca 0.36 -0.88 0.00 0.00 0.02 0.00 0.00 56.10 55.61 1b8t s TRP 4 Cb 0.03 -0.41 0.00 0.00 -1.15 0.00 0.00 33.47 31.94 1b8t s TRP 4 CO 0.20 -0.23 0.00 0.41 0.02 0.00 0.00 176.95 177.34 1b8t n GLY 5 N 0.40 5.42 0.00 0.98 0.00 -1.26 -5.19 105.19 105.55 1b8t n GLY 5 Ca -0.16 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1b8t n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 6 N 1.76 4.57 0.00 -0.02 0.00 -1.26 -5.19 105.19 105.05 1b8t n GLY 6 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1b8t n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 7 N 0.00 3.03 3.82 -0.02 0.00 -1.26 -4.92 105.19 105.85 1b8t n GLY 7 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1b8t n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 8 N 0.37 2.22 -0.20 1.61 1.02 0.33 -4.94 119.74 120.15 1b8t s LYS 8 Ca 0.00 -2.18 0.01 0.00 0.02 0.00 0.00 55.97 53.81 1b8t s LYS 8 Cb 0.00 -1.83 0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1b8t s LYS 8 CO 0.00 -0.46 -0.09 -1.59 -0.92 0.00 0.00 175.35 172.29 1b8t s LYS 9 N -4.06 1.90 -0.45 1.68 -2.85 -1.26 -0.05 119.74 114.64 1b8t s LYS 9 Ca 0.22 -0.82 -0.28 0.00 -1.00 0.00 0.00 55.97 54.09 1b8t s LYS 9 Cb 0.00 -2.38 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 1b8t s LYS 9 CO 0.13 -0.45 1.56 0.00 0.10 0.00 0.00 175.35 176.69 1b8t n GLY 11 N 5.28 -0.98 0.02 0.00 0.00 -1.22 -0.10 105.19 108.19 1b8t n GLY 11 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1b8t n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b8t n VAL 12 N -0.75 0.44 0.15 1.61 0.31 -1.26 -4.57 118.33 114.26 1b8t n VAL 12 Ca 0.12 0.40 0.04 0.00 -0.01 0.00 0.00 64.34 64.89 1b8t n VAL 12 Cb 0.05 -1.76 0.05 0.00 -0.91 0.00 0.00 33.84 31.27 1b8t n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b8t n GLN 14 N -3.17 0.00 -4.78 0.00 -0.06 0.85 -5.07 117.38 105.16 1b8t n GLN 14 Ca 0.02 0.09 -0.30 0.00 -2.00 0.00 0.00 57.00 54.81 1b8t n GLN 14 Cb 0.70 -2.71 -0.14 0.00 -4.06 0.00 0.00 30.24 24.03 1b8t n GLN 14 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1b8t s LYS 15 N -2.81 1.91 0.16 3.69 1.02 -1.05 -4.88 119.74 117.78 1b8t s LYS 15 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.63 1b8t s LYS 15 Cb 0.00 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 35.16 1b8t s LYS 15 CO 0.00 0.52 1.15 0.00 -0.92 0.00 0.00 175.35 176.10 1b8t s ALA 16 N -0.87 3.39 -0.00 5.17 0.00 -1.26 0.06 121.76 128.25 1b8t s ALA 16 Ca 0.13 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1b8t s ALA 16 Cb -0.10 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1b8t s ALA 16 CO 0.04 -0.30 0.16 0.08 0.00 0.00 0.00 175.76 175.73 1b8t s VAL 17 N 0.05 5.24 -0.17 0.00 1.01 0.92 -4.86 120.40 122.60 1b8t s VAL 17 Ca 0.52 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1b8t s VAL 17 Cb -0.30 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1b8t s VAL 17 CO 0.34 0.31 -0.15 0.00 0.00 0.00 0.00 175.10 175.61 1b8t n TYR 18 N 0.94 0.72 0.00 5.22 9.36 -1.26 -0.51 117.16 131.63 1b8t n TYR 18 Ca -0.11 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1b8t n TYR 18 Cb 0.52 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 1b8t n TYR 18 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1b8t n PHE 19 N -4.53 0.00 0.00 2.98 3.72 -1.26 -4.62 117.46 113.75 1b8t n PHE 19 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1b8t n PHE 19 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b8t n ALA 20 N -0.06 0.00 -0.13 4.37 0.00 -1.26 -4.33 120.51 119.10 1b8t n ALA 20 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1b8t n ALA 20 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1b8t n ALA 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b8t h GLU 21 N 0.00 0.57 -6.14 0.00 4.81 -1.95 -3.43 114.58 108.44 1b8t h GLU 21 Ca 0.00 -0.10 -0.75 0.00 -0.13 0.00 0.00 59.36 58.39 1b8t h GLU 21 Cb 0.00 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.30 1b8t h GLU 21 CO 0.00 0.53 0.85 -1.91 -0.73 0.00 0.00 179.01 177.75 1b8t n GLU 22 N -4.68 1.05 -4.01 1.92 0.00 -1.26 -0.04 120.64 113.62 1b8t n GLU 22 Ca -0.00 0.39 -0.30 0.00 0.00 0.00 0.00 57.16 57.24 1b8t n GLU 22 Cb 0.13 -2.05 -0.16 0.00 0.00 0.00 0.00 31.44 29.36 1b8t n GLU 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1b8t s VAL 23 N 3.30 1.62 0.77 6.31 1.01 0.13 -4.85 120.40 128.69 1b8t s VAL 23 Ca 0.98 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 1b8t s VAL 23 Cb -1.10 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 33.75 1b8t s VAL 23 CO 0.66 0.34 1.15 -1.10 0.00 0.00 0.00 175.10 176.15 1b8t s GLN 24 N 1.44 2.00 -0.48 2.72 -0.21 -1.26 -0.99 119.66 122.87 1b8t s GLN 24 Ca 0.02 1.51 0.07 0.00 0.02 0.00 0.00 55.36 56.99 1b8t s GLN 24 Cb -0.14 -1.84 0.19 0.00 1.00 0.00 0.00 33.01 32.21 1b8t s GLN 24 CO -0.10 -1.89 0.68 0.00 -2.12 0.00 0.00 175.29 171.86 1b8t n GLU 26 N 3.41 -0.55 0.00 0.00 1.02 -1.26 -0.12 120.64 123.14 1b8t n GLU 26 Ca 0.16 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1b8t n GLU 26 Cb 0.56 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b8t n GLY 27 N -1.93 2.70 3.59 0.62 0.00 -1.26 -5.01 105.19 103.91 1b8t n GLY 27 Ca -0.16 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1b8t n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8t s SER 28 N 0.00 1.45 -0.28 1.61 0.01 0.83 -5.06 113.70 112.25 1b8t s SER 28 Ca 0.00 0.98 -0.15 0.00 1.31 0.00 0.00 55.95 58.09 1b8t s SER 28 Cb 0.00 -1.48 0.09 0.00 0.21 0.00 0.00 66.02 64.84 1b8t s SER 28 CO 0.00 -3.84 0.71 -0.55 0.41 0.00 0.00 173.24 169.97 1b8t s SER 29 N -3.48 -0.94 0.12 2.44 0.15 -1.26 0.22 113.70 110.94 1b8t s SER 29 Ca 0.68 1.47 -0.03 0.00 0.70 0.00 0.00 55.95 58.77 1b8t s SER 29 Cb -0.16 1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 65.65 1b8t s SER 29 CO 0.58 -0.23 0.08 -0.36 1.20 0.00 0.00 173.24 174.52 1b8t s PHE 30 N 1.83 0.66 0.49 3.44 0.08 -0.17 -3.42 117.98 120.90 1b8t s PHE 30 Ca -0.09 -1.07 -0.24 0.00 0.12 0.00 0.00 56.93 55.65 1b8t s PHE 30 Cb -0.06 -0.36 -0.07 0.00 -0.57 0.00 0.00 43.02 41.96 1b8t s PHE 30 CO -0.19 -0.52 1.40 -1.01 -0.10 0.00 0.00 175.22 174.79 1b8t s HIS 31 N -3.99 2.37 0.27 0.36 3.76 -1.26 0.22 115.29 117.02 1b8t s HIS 31 Ca 0.18 1.31 -0.00 0.00 -0.15 0.00 0.00 55.06 56.40 1b8t s HIS 31 Cb 0.07 -3.88 0.62 0.00 1.11 0.00 0.00 32.58 30.51 1b8t s HIS 31 CO -0.02 -2.95 1.67 1.57 -0.85 0.00 0.00 174.74 174.17 1b8t h LYS 32 N 1.93 0.28 -0.25 1.40 2.10 -0.77 0.93 116.57 122.19 1b8t h LYS 32 Ca -0.51 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.00 1b8t h LYS 32 Cb 1.28 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 1b8t h LYS 32 CO 0.59 0.18 -0.37 1.03 -2.00 0.00 0.00 179.45 178.89 1b8t h SER 33 N 0.29 0.58 0.16 7.07 0.87 -1.89 -3.08 113.55 117.54 1b8t h SER 33 Ca 0.50 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1b8t h SER 33 Cb 0.95 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1b8t h SER 33 CO -0.57 0.89 -0.08 0.00 -0.53 0.00 0.00 176.83 176.55 1b8t n PHE 35 N -5.10 1.25 -3.76 0.00 -0.00 0.23 -4.86 117.46 105.22 1b8t n PHE 35 Ca -0.09 0.07 -0.13 0.00 -0.00 0.00 0.00 57.45 57.30 1b8t n PHE 35 Cb 0.18 -2.57 -0.13 0.00 -0.00 0.00 0.00 39.48 36.96 1b8t n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1b8t s LEU 36 N 13.00 0.75 -0.33 -2.13 0.20 -1.26 -1.25 118.68 127.66 1b8t s LEU 36 Ca 0.98 0.48 -0.36 0.00 0.69 0.00 0.00 54.13 55.93 1b8t s LEU 36 Cb -0.21 0.74 -0.12 0.00 -0.43 0.00 0.00 46.19 46.18 1b8t s LEU 36 CO 0.20 -0.13 2.14 0.00 -0.29 0.00 0.00 176.35 178.27 1b8t n MET 38 N 7.91 0.81 0.00 0.00 1.56 -0.44 -0.08 117.12 126.88 1b8t n MET 38 Ca 0.39 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.82 1b8t n MET 38 Cb 0.22 -1.35 0.00 0.00 2.15 0.00 0.00 33.22 34.25 1b8t n MET 38 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1b8t n VAL 39 N -0.85 0.00 0.24 1.12 0.31 -1.26 -4.56 118.33 113.34 1b8t n VAL 39 Ca 0.13 0.33 0.13 0.00 -0.01 0.00 0.00 64.34 64.93 1b8t n VAL 39 Cb 0.06 -1.28 0.50 0.00 -0.91 0.00 0.00 33.84 32.21 1b8t n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b8t n LYS 41 N -3.21 -0.06 -3.84 0.00 4.81 0.89 -5.03 118.16 111.73 1b8t n LYS 41 Ca 0.01 0.40 -0.36 0.00 -0.87 0.00 0.00 58.31 57.49 1b8t n LYS 41 Cb 0.40 -3.93 -0.07 0.00 0.02 0.00 0.00 35.03 31.44 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1b8t s LYS 42 N -2.58 3.74 0.43 1.64 2.20 -1.13 -4.84 119.74 119.20 1b8t s LYS 42 Ca 0.00 -0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.21 1b8t s LYS 42 Cb 0.00 -3.27 -0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1b8t s LYS 42 CO 0.00 0.57 0.58 0.09 -0.36 0.00 0.00 175.35 176.24 1b8t n ASN 43 N 2.64 -0.71 -3.87 1.43 3.02 -1.26 -0.07 115.26 116.43 1b8t n ASN 43 Ca -0.18 0.90 -0.30 0.00 -0.03 0.00 0.00 54.58 54.97 1b8t n ASN 43 Cb 0.54 -1.14 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b8t s LEU 44 N 1.47 3.00 -0.44 3.41 1.43 -0.38 -4.54 118.68 122.63 1b8t s LEU 44 Ca 0.64 -1.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1b8t s LEU 44 Cb -0.59 -1.16 0.18 0.00 0.03 0.00 0.00 46.19 44.66 1b8t s LEU 44 CO 0.58 -0.35 0.69 -0.62 0.23 0.00 0.00 176.35 176.88 1b8t s ASP 45 N 1.36 -1.43 0.00 2.29 2.15 -1.26 -4.41 116.67 115.38 1b8t s ASP 45 Ca 0.05 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 51.96 1b8t s ASP 45 Cb -0.18 1.84 0.00 0.00 -0.30 0.00 0.00 42.92 44.28 1b8t s ASP 45 CO -0.14 -0.12 0.00 -0.24 -0.17 0.00 0.00 175.17 174.50 1b8t n SER 46 N 3.83 0.00 -3.66 -0.34 2.88 -1.26 -5.17 113.62 109.89 1b8t n SER 46 Ca 0.13 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.68 1b8t n SER 46 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1b8t n SER 46 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1b8t s THR 47 N 0.00 0.00 -1.00 2.46 -1.32 -1.26 -5.03 115.64 109.49 1b8t s THR 47 Ca 0.00 -0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1b8t s THR 47 Cb 0.00 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.55 1b8t s THR 47 CO 0.00 0.00 0.85 0.41 -2.21 0.00 0.00 174.62 173.67 1b8t n THR 48 N -0.65 -6.06 -4.62 5.08 -1.04 -1.26 -4.91 114.28 100.82 1b8t n THR 48 Ca -0.04 -0.65 -0.30 0.00 -2.04 0.00 0.00 64.05 61.02 1b8t n THR 48 Cb 0.61 -5.08 -0.08 0.00 -1.82 0.00 0.00 70.33 63.95 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1b8t s VAL 49 N -3.32 1.58 0.19 12.58 0.11 -1.26 -1.34 120.40 128.93 1b8t s VAL 49 Ca 0.12 -1.95 -0.16 0.00 -2.93 0.00 0.00 61.98 57.06 1b8t s VAL 49 Cb -0.02 -2.53 0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1b8t s VAL 49 CO 0.64 0.00 0.47 0.00 -3.33 0.00 0.00 175.10 172.88 1b8t s ALA 50 N -2.79 -0.74 0.42 1.54 0.00 0.66 -4.57 121.76 116.28 1b8t s ALA 50 Ca 0.20 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1b8t s ALA 50 Cb 0.05 0.85 -0.07 0.00 0.00 0.00 0.00 23.12 23.95 1b8t s ALA 50 CO 0.11 -0.77 0.01 0.08 0.00 0.00 0.00 175.76 175.19 1b8t s VAL 51 N -3.89 1.88 -0.29 0.00 1.01 -1.26 -1.40 120.40 116.44 1b8t s VAL 51 Ca 0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 1b8t s VAL 51 Cb -0.00 -2.88 0.19 0.00 0.00 0.00 0.00 36.38 33.69 1b8t s VAL 51 CO -0.02 0.00 0.77 -2.28 0.00 0.00 0.00 175.10 173.56 1b8t s HIS 52 N -2.73 -1.30 0.00 5.22 5.04 0.37 -4.81 115.29 117.08 1b8t s HIS 52 Ca 0.31 0.92 0.00 0.00 -1.54 0.00 0.00 55.06 54.75 1b8t s HIS 52 Cb 0.09 0.28 0.00 0.00 0.04 0.00 0.00 32.58 32.99 1b8t s HIS 52 CO 0.16 -0.74 0.00 0.41 -2.34 0.00 0.00 174.74 172.22 1b8t n GLY 53 N 5.35 1.29 2.31 1.59 0.00 -1.26 0.29 105.19 114.76 1b8t n GLY 53 Ca 0.04 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 1b8t n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8t n ASP 54 N 7.87 5.81 -3.66 1.61 8.00 -1.26 -4.99 116.55 129.94 1b8t n ASP 54 Ca 0.00 -3.76 -0.10 0.00 0.71 0.00 0.00 54.79 51.63 1b8t n ASP 54 Cb 0.00 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.45 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1b8t s GLU 55 N -3.70 1.06 -0.03 -1.24 2.02 0.15 -5.17 118.70 111.80 1b8t s GLU 55 Ca 0.53 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.84 1b8t s GLU 55 Cb 0.43 0.46 -0.01 0.00 0.10 0.00 0.00 34.13 35.11 1b8t s GLU 55 CO -0.08 -0.41 -0.18 0.96 0.02 0.00 0.00 175.26 175.56 1b8t s ILE 56 N -3.81 1.48 0.01 -1.63 -4.36 -1.26 -0.48 121.20 111.15 1b8t s ILE 56 Ca 0.03 -0.77 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 1b8t s ILE 56 Cb 0.02 -1.25 -0.01 0.00 1.25 0.00 0.00 42.46 42.46 1b8t s ILE 56 CO -0.11 0.42 -0.00 -0.31 0.24 0.00 0.00 174.94 175.17 1b8t s TYR 57 N -0.22 0.19 0.44 1.37 2.02 -0.49 -1.33 117.35 119.33 1b8t s TYR 57 Ca 0.02 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.10 1b8t s TYR 57 Cb -0.09 -0.15 -0.10 0.00 -0.40 0.00 0.00 41.96 41.22 1b8t s TYR 57 CO 0.01 -0.17 0.98 0.00 -1.57 0.00 0.00 175.55 174.80 1b8t n LYS 59 N -0.61 0.00 -0.03 0.00 4.81 -0.45 -0.26 118.16 121.63 1b8t n LYS 59 Ca 0.07 0.85 -0.01 0.00 -0.87 0.00 0.00 58.31 58.35 1b8t n LYS 59 Cb 0.53 -1.33 -0.01 0.00 0.02 0.00 0.00 35.03 34.24 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1b8t n SER 60 N -2.46 -0.06 -0.35 3.14 2.88 -1.26 0.11 113.62 115.61 1b8t n SER 60 Ca 0.00 0.62 -0.11 0.00 -1.33 0.00 0.00 58.87 58.05 1b8t n SER 60 Cb 0.00 -0.27 -0.09 0.00 -0.75 0.00 0.00 64.21 63.09 1b8t n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t h TYR 62 N -0.09 -0.84 0.00 0.00 3.20 0.39 1.64 116.97 121.27 1b8t h TYR 62 Ca 0.15 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1b8t h TYR 62 Cb 0.46 0.49 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 1b8t h TYR 62 CO -0.95 -0.38 -0.06 0.78 -1.64 0.00 0.00 178.16 175.91 1b8t h GLY 63 N -0.07 0.00 0.56 1.82 0.00 0.33 -0.43 103.07 105.29 1b8t h GLY 63 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 1b8t h GLY 63 CO -0.82 0.00 -0.35 1.70 0.00 0.00 0.00 176.54 177.07 1b8t h LYS 64 N 0.00 0.25 -0.14 4.80 3.64 0.67 0.35 116.57 126.15 1b8t h LYS 64 Ca -0.00 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1b8t h LYS 64 Cb 0.23 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1b8t h LYS 64 CO 0.01 0.97 0.06 0.87 -2.27 0.00 0.00 179.45 179.09 1b8t h LYS 65 N -0.36 0.20 -0.12 1.90 1.57 0.08 -3.10 116.57 116.74 1b8t h LYS 65 Ca -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1b8t h LYS 65 Cb 1.09 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1b8t h LYS 65 CO 0.07 0.27 -0.02 1.88 -0.57 0.00 0.00 179.45 181.08 1b8t h TYR 66 N 0.08 0.26 -6.40 -1.35 0.05 -1.18 -3.48 116.97 104.95 1b8t h TYR 66 Ca 0.05 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1b8t h TYR 66 Cb 0.14 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1b8t h TYR 66 CO -0.02 0.51 -1.03 0.41 -1.05 0.00 0.00 178.16 176.97 1b8t n GLY 67 N -0.17 0.02 3.77 3.88 0.00 0.12 -4.87 105.19 107.95 1b8t n GLY 67 Ca -0.06 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1b8t n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 68 N -1.21 4.34 0.31 1.61 0.04 -1.26 -5.05 135.00 133.77 1b8t s PRO 68 Ca 0.06 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1b8t s PRO 68 Cb -0.01 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1b8t s PRO 68 CO 0.13 -0.01 0.17 0.21 0.04 0.00 0.00 177.00 177.53 1b8t s LYS 69 N -2.12 1.60 0.00 4.56 2.20 -1.26 -5.17 119.74 119.55 1b8t s LYS 69 Ca 0.53 -1.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.22 1b8t s LYS 69 Cb -0.25 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 1b8t s LYS 69 CO 0.32 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1b8t n GLY 70 N -0.58 1.78 3.72 5.54 0.00 -1.26 -5.19 105.19 109.20 1b8t n GLY 70 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1b8t n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s LYS 71 N -1.14 0.67 0.00 1.61 -2.85 -1.26 -5.19 119.74 111.57 1b8t s LYS 71 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1b8t s LYS 71 Cb 0.00 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1b8t s LYS 71 CO 0.00 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.55 1b8t n GLY 72 N -0.56 2.14 3.83 0.59 0.00 -1.26 -5.19 105.19 104.73 1b8t n GLY 72 Ca -0.06 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1b8t n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s LYS 73 N -2.00 1.86 0.00 1.61 0.00 -1.26 -5.19 119.74 114.77 1b8t s LYS 73 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 55.97 54.81 1b8t s LYS 73 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 37.83 38.38 1b8t s LYS 73 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.35 174.89 1b8t n GLY 74 N -0.55 1.61 3.67 0.59 0.00 -1.26 -5.19 105.19 104.05 1b8t n GLY 74 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.32 1b8t n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8t s MET 75 N -2.00 0.56 0.00 1.61 1.75 -1.26 -5.19 119.30 114.76 1b8t s MET 75 Ca 0.00 -0.31 0.00 0.00 -1.25 0.00 0.00 55.69 54.13 1b8t s MET 75 Cb 0.00 0.19 0.00 0.00 2.84 0.00 0.00 34.83 37.86 1b8t s MET 75 CO 0.00 -0.25 0.00 0.41 -0.65 0.00 0.00 175.02 174.53 1b8t n GLY 76 N -0.51 0.31 3.83 2.11 0.00 -1.26 -5.19 105.19 104.48 1b8t n GLY 76 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.11 1b8t n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 77 N -2.00 -2.35 0.00 4.61 0.00 -1.26 -5.19 121.76 115.58 1b8t s ALA 77 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1b8t s ALA 77 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1b8t s ALA 77 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1b8t n GLY 78 N -0.73 1.54 3.03 0.00 0.00 -1.26 -5.18 105.19 102.60 1b8t n GLY 78 Ca -0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1b8t n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s THR 79 N -1.70 0.36 0.30 2.61 2.01 -1.26 -5.16 115.64 112.80 1b8t s THR 79 Ca 0.00 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1b8t s THR 79 Cb 0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1b8t s THR 79 CO 0.00 -0.47 0.30 -1.48 -0.69 0.00 0.00 174.62 172.28 1b8t s LEU 80 N -1.64 1.38 -0.27 4.42 2.34 -1.26 -5.18 118.68 118.47 1b8t s LEU 80 Ca -0.11 -1.57 -0.27 0.00 0.06 0.00 0.00 54.13 52.24 1b8t s LEU 80 Cb -0.09 0.79 0.17 0.00 -0.56 0.00 0.00 46.19 46.50 1b8t s LEU 80 CO -0.01 -1.07 1.29 -0.55 -1.06 0.00 0.00 176.35 174.95 1b8t s SER 81 N -3.28 -0.16 0.03 1.48 0.15 -1.26 -5.18 113.70 105.48 1b8t s SER 81 Ca 0.37 0.26 -0.13 0.00 0.70 0.00 0.00 55.95 57.15 1b8t s SER 81 Cb 0.03 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 1b8t s SER 81 CO 0.22 -0.09 0.29 -0.89 1.20 0.00 0.00 173.24 173.96 1b8t s THR 82 N -0.37 0.08 0.00 6.45 2.01 -1.26 -5.17 115.64 117.38 1b8t s THR 82 Ca 0.06 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1b8t s THR 82 Cb -0.03 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1b8t s THR 82 CO -0.10 -0.37 0.00 -0.67 -0.69 0.00 0.00 174.62 172.79 1b8t n ASP 83 N 0.74 0.00 -3.67 3.53 -0.08 -1.26 -5.19 116.55 110.61 1b8t n ASP 83 Ca -0.19 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.04 1b8t n ASP 83 Cb 0.59 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.03 1b8t n ASP 83 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1b8t s LYS 84 N -2.00 1.11 0.00 -0.67 2.20 -1.26 -5.19 119.74 113.93 1b8t s LYS 84 Ca 0.00 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1b8t s LYS 84 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1b8t s LYS 84 CO 0.00 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1b8t n GLY 85 N -0.40 3.26 0.00 5.54 0.00 -1.26 -5.19 105.19 107.14 1b8t n GLY 85 Ca -0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1b8t n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b8t n GLU 86 N 0.00 0.00 -3.64 1.61 1.02 -1.26 -5.19 120.64 113.18 1b8t n GLU 86 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1b8t n GLU 86 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1b8t n GLU 86 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1b8t s SER 87 N 0.00 -0.02 0.24 1.62 1.04 -1.26 -5.19 113.70 110.13 1b8t s SER 87 Ca 0.00 0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 1b8t s SER 87 Cb 0.00 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.21 1b8t s SER 87 CO 0.00 -0.03 0.94 -1.48 0.98 0.00 0.00 173.24 173.65 1b8t s LEU 88 N -1.97 -0.04 0.00 2.42 0.05 -1.26 -5.19 118.68 112.69 1b8t s LEU 88 Ca 0.11 -0.75 0.00 0.00 0.05 0.00 0.00 54.13 53.54 1b8t s LEU 88 Cb -0.01 2.34 0.00 0.00 -2.05 0.00 0.00 46.19 46.47 1b8t s LEU 88 CO -0.03 -1.19 0.00 0.61 -0.55 0.00 0.00 176.35 175.20 1b8t n GLY 89 N -0.60 3.76 3.61 -3.48 0.00 -1.26 -5.18 105.19 102.04 1b8t n GLY 89 Ca -0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 1b8t n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b8t s ILE 90 N -1.71 0.00 0.18 -0.61 1.10 -1.26 -5.19 121.20 113.71 1b8t s ILE 90 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.05 1b8t s ILE 90 Cb 0.00 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.60 1b8t s ILE 90 CO 0.00 0.00 0.30 -0.54 -2.11 0.00 0.00 174.94 172.59 1b8t s LYS 91 N -0.80 1.20 0.01 3.50 1.02 -1.26 -5.18 119.74 118.23 1b8t s LYS 91 Ca 0.04 -1.21 -0.28 0.00 0.02 0.00 0.00 55.97 54.53 1b8t s LYS 91 Cb -0.02 0.38 0.10 0.00 -0.52 0.00 0.00 37.83 37.77 1b8t s LYS 91 CO -0.05 -0.44 0.84 -0.47 -0.92 0.00 0.00 175.35 174.31 1b8t s TYR 92 N -3.99 -0.39 -0.19 3.18 5.04 -1.26 -5.19 117.35 114.56 1b8t s TYR 92 Ca 0.19 0.30 -0.36 0.00 -2.44 0.00 0.00 57.07 54.76 1b8t s TYR 92 Cb 0.03 0.53 0.15 0.00 0.35 0.00 0.00 41.96 43.02 1b8t s TYR 92 CO 0.02 -0.58 1.37 -1.83 -1.34 0.00 0.00 175.55 173.18 1b8t s GLU 93 N -3.01 0.10 0.00 4.97 -1.05 -1.26 -5.19 118.70 113.26 1b8t s GLU 93 Ca 0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 1b8t s GLU 93 Cb -0.01 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1b8t s GLU 93 CO -0.08 -0.05 0.00 -1.91 0.95 0.00 0.00 175.26 174.17 1b8t n GLU 94 N -0.21 0.00 -3.73 -4.83 4.07 -1.26 -5.19 120.64 109.48 1b8t n GLU 94 Ca -0.01 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1b8t n GLU 94 Cb 0.59 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.97 1b8t n GLU 94 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1b8t s GLY 95 N 0.00 -0.27 -0.15 8.31 0.00 -1.26 -5.19 107.32 108.76 1b8t s GLY 95 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 44.72 44.72 1b8t s GLY 95 CO 0.00 0.94 1.37 -0.86 0.00 0.00 0.00 173.10 174.55 1b8t s GLN 96 N -2.60 0.12 -0.06 2.90 1.03 -1.26 -5.19 119.66 114.60 1b8t s GLN 96 Ca 0.16 -0.06 -0.32 0.00 0.04 0.00 0.00 55.36 55.19 1b8t s GLN 96 Cb 0.02 0.05 0.14 0.00 0.03 0.00 0.00 33.01 33.24 1b8t s GLN 96 CO -0.01 -0.05 1.38 -1.12 -2.54 0.00 0.00 175.29 172.94 1b8t s SER 97 N -2.61 -0.03 -0.00 12.60 0.01 -1.26 -5.19 113.70 117.21 1b8t s SER 97 Ca 0.13 -0.06 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 1b8t s SER 97 Cb 0.04 0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.45 1b8t s SER 97 CO -0.05 -0.14 1.27 -1.38 0.41 0.00 0.00 173.24 173.36 1b8t s HIS 98 N -2.19 -0.01 -0.32 2.43 -3.43 -1.26 -5.14 115.29 105.37 1b8t s HIS 98 Ca 0.15 -0.12 -0.08 0.00 -0.80 0.00 0.00 55.06 54.21 1b8t s HIS 98 Cb 0.06 0.56 0.19 0.00 -1.43 0.00 0.00 32.58 31.96 1b8t s HIS 98 CO -0.06 -0.31 0.99 0.50 -2.00 0.00 0.00 174.74 173.87 1b8t s ARG 99 N -2.24 0.23 1.12 -0.38 3.52 -1.26 -5.17 118.95 114.77 1b8t s ARG 99 Ca 0.21 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.65 1b8t s ARG 99 Cb 0.02 0.05 0.27 0.00 -1.56 0.00 0.00 34.95 33.74 1b8t s ARG 99 CO -0.02 -0.37 1.24 -1.25 -0.81 0.00 0.00 175.30 174.09 1b8t s PRO 100 N 2.38 -0.64 0.32 5.12 0.04 -1.26 -5.10 135.00 135.86 1b8t s PRO 100 Ca 0.20 -0.38 0.06 0.00 0.04 0.00 0.00 61.00 60.92 1b8t s PRO 100 Cb 0.00 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1b8t s PRO 100 CO -0.18 -3.27 0.24 0.95 0.04 0.00 0.00 177.00 174.78 1b8t s THR 101 N -3.50 0.07 -0.06 1.26 -4.23 -1.26 -5.17 115.64 102.75 1b8t s THR 101 Ca 0.75 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1b8t s THR 101 Cb -0.05 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1b8t s THR 101 CO 0.55 0.00 0.14 0.20 -0.54 0.00 0.00 174.62 174.97 1b8t s ASN 102 N -3.38 -0.12 1.11 3.99 0.01 -1.26 -5.16 114.94 110.13 1b8t s ASN 102 Ca 0.39 0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 52.64 1b8t s ASN 102 Cb 0.03 0.21 0.26 0.00 0.41 0.00 0.00 41.25 42.15 1b8t s ASN 102 CO 0.24 -0.12 1.23 -2.16 -1.51 0.00 0.00 177.10 174.78 1b8t s PRO 103 N 0.88 -0.49 0.15 -0.60 0.04 -1.26 -5.10 135.00 128.62 1b8t s PRO 103 Ca -0.07 -0.32 -0.01 0.00 0.04 0.00 0.00 61.00 60.64 1b8t s PRO 103 Cb -0.09 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1b8t s PRO 103 CO -0.04 -3.18 0.07 0.54 0.04 0.00 0.00 177.00 174.43 1b8t s ASN 104 N -4.46 0.31 0.34 6.66 2.20 -1.26 -5.18 114.94 113.56 1b8t s ASN 104 Ca 0.74 -1.25 0.03 0.00 -0.94 0.00 0.00 52.86 51.44 1b8t s ASN 104 Cb -0.05 0.31 -0.04 0.00 -2.00 0.00 0.00 41.25 39.47 1b8t s ASN 104 CO 0.55 -0.75 0.13 0.00 -2.94 0.00 0.00 177.10 174.09 1b8t s ALA 105 N -4.06 2.32 0.15 3.54 0.00 -1.26 -5.17 121.76 117.28 1b8t s ALA 105 Ca 0.28 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.34 1b8t s ALA 105 Cb 0.07 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.21 1b8t s ALA 105 CO 0.04 -0.42 0.96 -1.12 0.00 0.00 0.00 175.76 175.21 1b8t s SER 106 N -3.47 -0.19 0.24 0.00 0.01 -1.26 -5.19 113.70 103.85 1b8t s SER 106 Ca 0.32 -0.39 -0.22 0.00 1.31 0.00 0.00 55.95 56.97 1b8t s SER 106 Cb 0.05 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.80 1b8t s SER 106 CO 0.16 -0.89 0.72 -0.13 0.41 0.00 0.00 173.24 173.51 1b8t s ARG 107 N -3.28 1.63 0.03 12.44 0.52 -1.26 -5.19 118.95 123.83 1b8t s ARG 107 Ca 0.12 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 1b8t s ARG 107 Cb -0.01 0.59 0.10 0.00 0.52 0.00 0.00 34.95 36.14 1b8t s ARG 107 CO 0.02 -0.74 1.09 0.00 0.02 0.00 0.00 175.30 175.69 1b8t s MET 108 N -3.82 0.76 -0.11 3.54 0.23 -1.26 -5.19 119.30 113.45 1b8t s MET 108 Ca 0.09 -0.39 -0.33 0.00 -1.03 0.00 0.00 55.69 54.03 1b8t s MET 108 Cb -0.05 0.28 0.13 0.00 -1.53 0.00 0.00 34.83 33.66 1b8t s MET 108 CO 0.02 -0.34 1.25 0.00 -2.03 0.00 0.00 175.02 173.92 1b8t s ALA 109 N -2.86 -2.15 -0.14 3.16 0.00 -1.26 -5.19 121.76 113.31 1b8t s ALA 109 Ca 0.11 1.16 -0.34 0.00 0.00 0.00 0.00 51.96 52.90 1b8t s ALA 109 Cb 0.01 0.11 0.15 0.00 0.00 0.00 0.00 23.12 23.39 1b8t s ALA 109 CO -0.02 -0.82 1.44 -1.14 0.00 0.00 0.00 175.76 175.21 1b8t s GLN 110 N -2.41 0.01 -0.13 0.00 2.00 -1.26 -5.19 119.66 112.68 1b8t s GLN 110 Ca 0.12 -0.00 -0.33 0.00 -2.00 0.00 0.00 55.36 53.14 1b8t s GLN 110 Cb 0.02 0.00 0.13 0.00 0.80 0.00 0.00 33.01 33.96 1b8t s GLN 110 CO -0.04 -0.00 1.27 0.21 -0.50 0.00 0.00 175.29 176.22 1b8t s LYS 111 N -2.01 0.30 -0.22 1.67 2.20 -1.26 -5.19 119.74 115.24 1b8t s LYS 111 Ca 0.14 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 1b8t s LYS 111 Cb 0.06 0.12 0.16 0.00 -1.51 0.00 0.00 37.83 36.66 1b8t s LYS 111 CO -0.06 -0.14 1.19 0.54 -0.36 0.00 0.00 175.35 176.53 1b8t s VAL 112 N -2.37 0.00 0.00 4.02 0.11 -1.26 -5.18 120.40 115.72 1b8t s VAL 112 Ca 0.12 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1b8t s VAL 112 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1b8t s VAL 112 CO -0.04 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 1b8t n GLY 113 N 0.57 5.09 0.00 6.54 0.00 -1.26 -5.14 105.19 110.99 1b8t n GLY 113 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1b8t n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8t n GLY 114 N 0.00 -1.51 3.60 -0.02 0.00 -1.26 -5.19 105.19 100.82 1b8t n GLY 114 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.68 1b8t n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8t s SER 115 N 0.00 -0.05 0.00 1.61 1.04 -1.26 -4.98 113.70 110.06 1b8t s SER 115 Ca 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1b8t s SER 115 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1b8t s SER 115 CO 0.00 -0.19 0.00 -0.67 0.98 0.00 0.00 173.24 173.36 1b8t n ASP 116 N -0.42 0.00 -4.29 7.02 -0.08 -0.56 -5.06 116.55 113.17 1b8t n ASP 116 Ca -0.07 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.02 1b8t n ASP 116 Cb 0.62 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.98 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1b8t s GLY 117 N -0.02 1.97 -0.44 0.27 0.00 -1.26 -0.13 107.32 107.71 1b8t s GLY 117 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 44.72 42.74 1b8t s GLY 117 CO 0.00 -1.68 0.33 0.00 0.00 0.00 0.00 173.10 171.75 1b8t n PRO 119 N 5.12 0.68 -0.03 0.00 -0.04 -1.26 0.44 135.00 139.90 1b8t n PRO 119 Ca -0.12 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1b8t n PRO 119 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1b8t n PRO 119 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1b8t h ARG 120 N 0.00 0.00 0.19 0.54 9.65 -1.91 -3.42 114.38 119.43 1b8t h ARG 120 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1b8t h ARG 120 Cb 0.04 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1b8t h ARG 120 CO 0.00 0.00 -1.72 0.00 2.80 0.00 0.00 179.97 181.05 1b8t n GLY 122 N 1.84 0.90 3.75 0.00 0.00 0.17 -5.08 105.19 106.77 1b8t n GLY 122 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1b8t n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 123 N -0.01 3.21 0.92 1.61 -0.21 -1.24 -4.35 119.66 119.60 1b8t s GLN 123 Ca 0.00 2.27 -0.11 0.00 0.02 0.00 0.00 55.36 57.54 1b8t s GLN 123 Cb 0.00 -2.31 0.15 0.00 1.00 0.00 0.00 33.01 31.84 1b8t s GLN 123 CO 0.00 -1.15 1.10 0.00 -2.12 0.00 0.00 175.29 173.12 1b8t s ALA 124 N -1.29 1.32 -0.07 6.09 0.00 -1.26 0.32 121.76 126.87 1b8t s ALA 124 Ca 0.70 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 1b8t s ALA 124 Cb -0.41 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1b8t s ALA 124 CO 0.49 -2.62 -0.04 0.08 0.00 0.00 0.00 175.76 173.67 1b8t s VAL 125 N -2.76 0.60 0.03 0.00 1.01 0.81 -4.52 120.40 115.58 1b8t s VAL 125 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1b8t s VAL 125 Cb -0.20 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1b8t s VAL 125 CO 0.58 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.96 1b8t n TYR 126 N 4.63 -0.20 -3.61 5.22 4.11 -1.26 -1.50 117.16 124.56 1b8t n TYR 126 Ca -0.15 0.03 -0.01 0.00 -0.00 0.00 0.00 57.90 57.77 1b8t n TYR 126 Cb 0.50 0.20 0.01 0.00 -0.00 0.00 0.00 39.34 40.05 1b8t n TYR 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b8t n ALA 127 N -2.95 -0.87 0.00 -3.48 0.00 -1.26 -4.86 120.51 107.09 1b8t n ALA 127 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1b8t n ALA 127 Cb 0.25 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1b8t n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8t n ALA 128 N -2.30 0.00 -2.61 0.00 0.00 -1.26 -3.93 120.51 110.41 1b8t n ALA 128 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1b8t n ALA 128 Cb 0.18 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.67 1b8t n ALA 128 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1b8t n GLU 129 N 0.00 2.05 -3.28 0.00 2.13 -1.26 -4.99 120.64 115.29 1b8t n GLU 129 Ca 0.00 -3.66 -0.30 0.00 0.66 0.00 0.00 57.16 53.86 1b8t n GLU 129 Cb 0.00 -1.68 -0.04 0.00 0.27 0.00 0.00 31.44 29.99 1b8t n GLU 129 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1b8t s LYS 130 N -3.52 3.72 -0.04 5.31 0.00 -1.25 0.55 119.74 124.51 1b8t s LYS 130 Ca 0.33 0.19 -0.09 0.00 0.00 0.00 0.00 55.97 56.40 1b8t s LYS 130 Cb 0.39 -2.60 0.01 0.00 0.00 0.00 0.00 37.83 35.63 1b8t s LYS 130 CO -0.02 0.21 0.21 0.54 0.00 0.00 0.00 175.35 176.28 1b8t s VAL 131 N -2.04 0.04 -0.17 1.79 0.11 0.20 -4.13 120.40 116.20 1b8t s VAL 131 Ca 0.46 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1b8t s VAL 131 Cb -0.11 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1b8t s VAL 131 CO 0.27 -0.20 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.15 1b8t s ILE 132 N -0.75 1.14 -0.00 7.04 1.09 -1.26 -1.25 121.20 127.19 1b8t s ILE 132 Ca -0.08 -0.66 -0.25 0.00 -1.10 0.00 0.00 60.65 58.56 1b8t s ILE 132 Cb -0.05 -1.31 0.06 0.00 -1.06 0.00 0.00 42.46 40.10 1b8t s ILE 132 CO 0.02 0.13 0.56 -0.83 -0.10 0.00 0.00 174.94 174.71 1b8t s GLY 133 N 1.62 -0.45 -1.29 6.18 0.00 0.32 -4.95 107.32 108.74 1b8t s GLY 133 Ca 0.01 0.87 -0.09 0.00 0.00 0.00 0.00 44.72 45.51 1b8t s GLY 133 CO -0.08 0.56 0.58 0.00 0.00 0.00 0.00 173.10 174.17 1b8t n ALA 134 N 0.76 -2.23 -4.43 3.20 0.00 -1.26 -0.23 120.51 116.32 1b8t n ALA 134 Ca -0.19 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 1b8t n ALA 134 Cb 0.58 -2.51 -0.07 0.00 0.00 0.00 0.00 19.45 17.44 1b8t n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8t n GLY 135 N -1.85 -0.41 3.27 0.00 0.00 -1.26 -4.53 105.19 100.41 1b8t n GLY 135 Ca -0.22 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1b8t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 136 N -7.12 1.00 0.12 1.61 -0.14 0.69 -5.04 119.74 110.85 1b8t s LYS 136 Ca 0.79 -1.04 0.09 0.00 -1.36 0.00 0.00 55.97 54.45 1b8t s LYS 136 Cb -0.46 0.37 -0.04 0.00 -1.68 0.00 0.00 37.83 36.02 1b8t s LYS 136 CO 0.97 -0.35 -0.18 0.45 -0.76 0.00 0.00 175.35 175.49 1b8t s SER 137 N -2.90 3.91 0.15 2.83 0.15 -1.26 -0.52 113.70 116.06 1b8t s SER 137 Ca 0.10 -0.55 -0.12 0.00 0.70 0.00 0.00 55.95 56.08 1b8t s SER 137 Cb 0.04 -0.56 0.04 0.00 -1.71 0.00 0.00 66.02 63.83 1b8t s SER 137 CO -0.06 0.18 0.61 0.79 1.20 0.00 0.00 173.24 175.96 1b8t n TRP 138 N 0.79 -1.28 -2.86 3.44 7.02 -0.38 -4.33 117.44 119.84 1b8t n TRP 138 Ca -0.15 -0.90 -0.37 0.00 -1.02 0.00 0.00 57.50 55.05 1b8t n TRP 138 Cb 0.53 0.44 -0.06 0.00 -2.42 0.00 0.00 31.31 29.80 1b8t n TRP 138 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1b8t s HIS 139 N -3.87 3.74 -0.03 -5.99 3.76 -1.26 0.61 115.29 112.25 1b8t s HIS 139 Ca 0.13 1.71 -0.03 0.00 -0.15 0.00 0.00 55.06 56.72 1b8t s HIS 139 Cb -0.02 -2.86 -0.10 0.00 1.11 0.00 0.00 32.58 30.71 1b8t s HIS 139 CO 0.05 0.29 2.71 1.17 -0.85 0.00 0.00 174.74 178.11 1b8t n LYS 140 N 0.79 1.51 0.00 1.40 3.00 0.19 -2.40 118.16 122.65 1b8t n LYS 140 Ca -0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 58.31 57.73 1b8t n LYS 140 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1b8t n LYS 140 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1b8t n SER 141 N 1.84 0.00 0.07 3.14 2.88 -1.26 -4.90 113.62 115.39 1b8t n SER 141 Ca 0.21 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.59 1b8t n SER 141 Cb 0.68 0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 64.24 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t n PHE 143 N -3.74 0.77 -4.00 0.00 7.35 -1.01 -4.85 117.46 111.99 1b8t n PHE 143 Ca -0.09 0.24 -0.08 0.00 -0.76 0.00 0.00 57.45 56.76 1b8t n PHE 143 Cb 0.90 -2.25 -0.10 0.00 0.35 0.00 0.00 39.48 38.37 1b8t n PHE 143 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1b8t s ARG 144 N 8.58 0.54 0.03 -4.13 1.70 -1.26 -1.40 118.95 123.00 1b8t s ARG 144 Ca 1.23 -0.89 -0.36 0.00 -0.47 0.00 0.00 55.73 55.23 1b8t s ARG 144 Cb -0.85 0.20 -0.15 0.00 -0.57 0.00 0.00 34.95 33.58 1b8t s ARG 144 CO 0.41 -0.11 1.56 0.00 -1.08 0.00 0.00 175.30 176.08 1b8t n ALA 146 N 3.87 4.32 0.00 0.00 0.00 -0.18 -0.15 120.51 128.37 1b8t n ALA 146 Ca 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1b8t n ALA 146 Cb 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1b8t n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b8t n LYS 147 N 0.10 0.00 -0.01 0.00 3.00 -1.26 -4.87 118.16 115.11 1b8t n LYS 147 Ca 0.26 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.61 1b8t n LYS 147 Cb 0.81 -0.31 -0.08 0.00 0.00 0.00 0.00 35.03 35.45 1b8t n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b8t n GLY 149 N 1.97 0.48 3.67 0.00 0.00 0.79 -5.01 105.19 107.08 1b8t n GLY 149 Ca -0.04 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1b8t n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 150 N -1.66 4.31 0.10 1.61 1.02 -1.24 -4.64 119.74 119.23 1b8t s LYS 150 Ca 0.00 1.56 -0.31 0.00 0.02 0.00 0.00 55.97 57.24 1b8t s LYS 150 Cb 0.00 -3.63 -0.08 0.00 -0.52 0.00 0.00 37.83 33.59 1b8t s LYS 150 CO 0.00 -0.54 1.56 -1.12 -0.92 0.00 0.00 175.35 174.33 1b8t s SER 151 N 1.52 6.66 0.15 2.83 0.01 -1.26 0.02 113.70 123.63 1b8t s SER 151 Ca 0.52 2.46 0.02 0.00 1.31 0.00 0.00 55.95 60.26 1b8t s SER 151 Cb -0.21 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.47 1b8t s SER 151 CO 0.16 -0.81 0.19 0.18 0.41 0.00 0.00 173.24 173.37 1b8t n LEU 152 N 4.79 0.00 0.12 2.44 4.77 -0.49 -4.91 117.00 123.72 1b8t n LEU 152 Ca 0.14 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1b8t n LEU 152 Cb 0.40 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1b8t n LEU 152 CO 0.61 -0.51 0.00 -1.84 -1.33 0.00 0.00 177.39 174.32 1b8t n GLU 153 N -1.23 0.00 0.00 3.23 0.28 -1.26 -4.82 120.64 116.84 1b8t n GLU 153 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1b8t n GLU 153 Cb 0.16 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.03 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1b8t n SER 154 N -3.06 0.00 0.00 -1.84 2.88 -1.26 -4.98 113.62 105.36 1b8t n SER 154 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1b8t n SER 154 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1b8t n SER 154 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1b8t n THR 155 N 0.00 0.00 -2.92 2.46 -2.24 -1.26 -5.03 114.28 105.29 1b8t n THR 155 Ca 0.00 0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1b8t n THR 155 Cb 0.00 -0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1b8t n THR 155 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1b8t n THR 156 N -1.59 -0.29 -3.84 4.28 -1.04 -1.26 -5.12 114.28 105.43 1b8t n THR 156 Ca 0.00 -2.02 -0.34 0.00 -2.04 0.00 0.00 64.05 59.65 1b8t n THR 156 Cb 0.00 0.32 -0.05 0.00 -1.82 0.00 0.00 70.33 68.79 1b8t n THR 156 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1b8t s LEU 157 N -0.17 4.37 0.14 -4.42 0.05 -1.26 -0.61 118.68 116.78 1b8t s LEU 157 Ca 0.32 0.44 0.04 0.00 0.05 0.00 0.00 54.13 54.98 1b8t s LEU 157 Cb 0.12 -2.66 -0.04 0.00 -2.05 0.00 0.00 46.19 41.56 1b8t s LEU 157 CO -0.16 0.25 0.17 0.00 -0.55 0.00 0.00 176.35 176.07 1b8t s ALA 158 N -1.32 3.71 -0.35 1.48 0.00 0.76 -4.85 121.76 121.19 1b8t s ALA 158 Ca 0.28 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1b8t s ALA 158 Cb -0.13 -1.52 0.11 0.00 0.00 0.00 0.00 23.12 21.58 1b8t s ALA 158 CO 0.18 0.58 0.12 0.16 0.00 0.00 0.00 175.76 176.80 1b8t s ASP 159 N -2.97 4.07 -0.62 0.00 -4.77 -1.26 -1.21 116.67 109.91 1b8t s ASP 159 Ca 0.32 -1.95 -0.17 0.00 -3.30 0.00 0.00 52.55 47.45 1b8t s ASP 159 Cb -0.11 -1.03 0.13 0.00 -1.09 0.00 0.00 42.92 40.82 1b8t s ASP 159 CO 0.25 -0.38 0.65 -0.75 0.70 0.00 0.00 175.17 175.64 1b8t s LYS 160 N 1.21 3.12 -0.80 2.11 2.36 0.12 -4.63 119.74 123.23 1b8t s LYS 160 Ca 0.12 -1.64 -0.03 0.00 -2.55 0.00 0.00 55.97 51.86 1b8t s LYS 160 Cb -0.19 -4.33 0.00 0.00 -1.05 0.00 0.00 37.83 32.26 1b8t s LYS 160 CO -0.17 -1.44 0.56 -0.25 1.55 0.00 0.00 175.35 175.61 1b8t n ASP 161 N 5.60 -4.37 0.00 1.43 8.00 -1.26 0.20 116.55 126.16 1b8t n ASP 161 Ca -0.07 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1b8t n ASP 161 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8t n GLY 162 N -1.61 1.96 3.55 0.44 0.00 -1.26 -4.98 105.19 103.30 1b8t n GLY 162 Ca -0.29 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1b8t n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b8t n GLU 163 N 0.00 0.73 -4.54 1.61 -0.58 0.13 -4.84 120.64 113.16 1b8t n GLU 163 Ca 0.00 0.28 -0.24 0.00 -0.42 0.00 0.00 57.16 56.78 1b8t n GLU 163 Cb 0.00 -1.96 -0.17 0.00 -0.57 0.00 0.00 31.44 28.74 1b8t n GLU 163 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1b8t s ILE 164 N -1.60 1.06 0.17 -3.67 -4.36 -1.26 0.16 121.20 111.71 1b8t s ILE 164 Ca 0.73 -0.43 0.04 0.00 -0.26 0.00 0.00 60.65 60.72 1b8t s ILE 164 Cb -0.43 -0.98 -0.01 0.00 1.25 0.00 0.00 42.46 42.29 1b8t s ILE 164 CO 0.50 0.34 0.14 -1.22 0.24 0.00 0.00 174.94 174.94 1b8t n TYR 165 N 3.84 -0.35 -3.93 1.37 4.01 -0.35 -1.01 117.16 120.73 1b8t n TYR 165 Ca -0.23 -1.41 -0.32 0.00 -0.16 0.00 0.00 57.90 55.77 1b8t n TYR 165 Cb 0.52 0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 1b8t n TYR 165 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b8t h LYS 167 N 3.48 0.29 -0.31 0.00 3.64 -1.19 1.68 116.57 124.16 1b8t h LYS 167 Ca -0.47 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.97 1b8t h LYS 167 Cb 1.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1b8t h LYS 167 CO 0.71 0.19 0.22 0.78 -2.27 0.00 0.00 179.45 179.08 1b8t h GLY 168 N 0.29 0.11 0.23 5.01 0.00 -1.94 0.44 103.07 107.22 1b8t h GLY 168 Ca 0.60 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.80 1b8t h GLY 168 CO -0.61 0.02 -0.48 0.00 0.00 0.00 0.00 176.54 175.48 1b8t h TYR 170 N -0.78 0.29 0.00 0.00 3.20 0.20 0.41 116.97 120.29 1b8t h TYR 170 Ca -0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1b8t h TYR 170 Cb 1.27 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1b8t h TYR 170 CO 0.22 0.15 -0.04 0.00 -1.64 0.00 0.00 178.16 176.85 1b8t h ALA 171 N 1.76 0.00 -0.25 1.82 0.00 -0.22 -3.23 119.26 119.14 1b8t h ALA 171 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1b8t h ALA 171 Cb 0.45 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1b8t h ALA 171 CO -0.04 0.04 -0.50 0.87 0.00 0.00 0.00 179.25 179.61 1b8t h LYS 172 N -0.90 -0.43 -1.01 0.00 1.79 -1.02 0.53 116.57 115.54 1b8t h LYS 172 Ca 0.00 0.03 0.41 0.00 -2.18 0.00 0.00 60.65 58.91 1b8t h LYS 172 Cb 0.04 0.10 -0.17 0.00 -1.58 0.00 0.00 32.23 30.61 1b8t h LYS 172 CO 0.00 -0.28 0.56 0.09 -1.08 0.00 0.00 179.45 178.73 1b8t n ASN 173 N -5.13 0.32 -3.05 0.86 3.02 0.14 -0.38 115.26 111.04 1b8t n ASN 173 Ca -0.04 1.58 -0.25 0.00 -0.03 0.00 0.00 54.58 55.83 1b8t n ASN 173 Cb 0.33 -0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1b8t n PHE 174 N -5.13 3.11 -2.67 3.10 3.72 0.15 -4.85 117.46 114.89 1b8t n PHE 174 Ca 0.37 -3.97 -0.05 0.00 -0.05 0.00 0.00 57.45 53.75 1b8t n PHE 174 Cb 1.28 -0.48 0.07 0.00 -0.94 0.00 0.00 39.48 39.41 1b8t n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b8t n GLY 175 N 0.04 -1.65 3.76 1.37 0.00 0.85 -4.80 105.19 104.76 1b8t n GLY 175 Ca 0.29 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.98 1b8t n GLY 175 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 176 N 0.17 -0.42 -0.35 1.61 0.04 -1.26 -4.66 135.00 130.13 1b8t s PRO 176 Ca 0.26 -0.30 0.02 0.00 0.04 0.00 0.00 61.00 61.02 1b8t s PRO 176 Cb 0.20 -1.71 0.30 0.00 0.04 0.00 0.00 34.50 33.33 1b8t s PRO 176 CO -0.09 -3.14 1.27 1.17 0.04 0.00 0.00 177.00 176.25 1b8t n LYS 177 N -4.31 0.25 -0.31 4.56 4.81 -1.26 -5.15 118.16 116.76 1b8t n LYS 177 Ca 0.15 -0.87 0.00 0.00 -0.87 0.00 0.00 58.31 56.72 1b8t n LYS 177 Cb 0.59 -0.36 0.00 0.00 0.02 0.00 0.00 35.03 35.29 1b8t n LYS 177 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b8t n GLY 178 N 1.03 -0.66 3.71 3.14 0.00 -1.26 -5.18 105.19 105.96 1b8t n GLY 178 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1b8t n GLY 178 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8t s PHE 179 N -3.91 -0.02 0.09 1.61 0.08 -1.26 -5.19 117.98 109.37 1b8t s PHE 179 Ca 0.00 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1b8t s PHE 179 Cb 0.00 0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 43.00 1b8t s PHE 179 CO 0.00 -0.27 0.03 0.41 -0.10 0.00 0.00 175.22 175.29 1b8t n GLY 180 N -0.59 3.93 3.69 4.36 0.00 -1.26 -5.18 105.19 110.14 1b8t n GLY 180 Ca -0.06 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 44.01 1b8t n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8t s PHE 181 N -1.84 -0.03 0.00 1.61 0.08 -1.26 -5.18 117.98 111.37 1b8t s PHE 181 Ca 0.04 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1b8t s PHE 181 Cb 0.00 0.55 0.00 0.00 -0.57 0.00 0.00 43.02 43.00 1b8t s PHE 181 CO 0.03 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 1b8t n GLY 182 N -0.57 1.76 3.64 4.36 0.00 -1.26 -5.18 105.19 107.95 1b8t n GLY 182 Ca -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1b8t n GLY 182 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b8t s GLN 183 N -0.01 0.16 0.00 1.61 2.00 -1.26 -5.16 119.66 117.00 1b8t s GLN 183 Ca 0.00 0.16 0.00 0.00 -2.00 0.00 0.00 55.36 53.52 1b8t s GLN 183 Cb 0.00 0.08 0.00 0.00 0.80 0.00 0.00 33.01 33.89 1b8t s GLN 183 CO 0.00 -0.03 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 1b8t n GLY 184 N 1.52 1.54 1.26 2.59 0.00 -1.26 -5.17 105.19 105.68 1b8t n GLY 184 Ca -0.09 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1b8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t n ALA 185 N -3.00 -3.04 0.00 4.61 0.00 -1.26 -5.09 120.51 112.74 1b8t n ALA 185 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1b8t n ALA 185 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1b8t n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b8t n GLY 186 N -3.78 1.36 3.65 0.00 0.00 -1.26 -5.17 105.19 99.98 1b8t n GLY 186 Ca -0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 1b8t n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 187 N -2.00 -2.35 0.45 4.61 0.00 -1.26 -5.18 121.76 116.03 1b8t s ALA 187 Ca 0.00 1.98 0.07 0.00 0.00 0.00 0.00 51.96 54.00 1b8t s ALA 187 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 1b8t s ALA 187 CO 0.00 -0.27 0.29 -1.17 0.00 0.00 0.00 175.76 174.61 1b8t s LEU 188 N 0.81 3.05 -0.30 0.00 2.96 -1.26 -5.14 118.68 118.80 1b8t s LEU 188 Ca -0.04 -1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.66 1b8t s LEU 188 Cb -0.04 -1.51 0.17 0.00 0.50 0.00 0.00 46.19 45.31 1b8t s LEU 188 CO -0.12 -0.74 1.05 -0.51 -1.32 0.00 0.00 176.35 174.71 1b8t s ILE 189 N -2.62 -0.34 -0.16 6.68 -1.16 -1.26 -5.17 121.20 117.17 1b8t s ILE 189 Ca 0.40 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.24 1b8t s ILE 189 Cb 0.00 -1.00 0.12 0.00 0.61 0.00 0.00 42.46 42.19 1b8t s ILE 189 CO 0.23 0.00 0.95 -1.38 -2.81 0.00 0.00 174.94 171.93 1b8t s HIS 190 N 2.16 -0.43 0.26 3.50 -3.43 -1.26 -5.15 115.29 110.95 1b8t s HIS 190 Ca -0.03 0.78 -0.29 0.00 -0.80 0.00 0.00 55.06 54.71 1b8t s HIS 190 Cb -0.05 0.43 -0.09 0.00 -1.43 0.00 0.00 32.58 31.44 1b8t s HIS 190 CO -0.17 -0.37 1.22 -1.54 -2.00 0.00 0.00 174.74 171.88 1b8t s SER 191 N -0.96 7.02 0.00 7.38 1.04 -1.26 -5.37 113.70 121.55 1b8t s SER 191 Ca -0.03 2.40 0.20 0.00 0.48 0.00 0.00 55.95 59.01 1b8t s SER 191 Cb -0.01 -2.63 1.20 0.00 0.10 0.00 0.00 66.02 64.68 1b8t s SER 191 CO 0.02 -0.37 1.58 1.67 0.98 0.00 0.00 173.24 177.12