#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t h PRO 2 N 0.00 -0.03 0.00 0.03 0.13 -2.15 -3.49 132.00 126.49 1b8t h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1b8t h PRO 2 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1b8t h PRO 2 CO 0.00 0.68 0.00 0.27 -0.23 0.00 0.00 178.00 178.72 1b8t n ASN 3 N -4.75 0.00 -3.60 1.44 6.94 -1.26 -5.19 115.26 108.84 1b8t n ASN 3 Ca -0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.44 1b8t n ASN 3 Cb 0.35 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.75 1b8t n ASN 3 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1b8t s TRP 4 N -2.00 -0.10 0.00 -2.53 1.48 -1.26 -5.19 118.94 109.34 1b8t s TRP 4 Ca 0.00 0.05 0.00 0.00 -1.06 0.00 0.00 56.10 55.09 1b8t s TRP 4 Cb 0.00 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.83 1b8t s TRP 4 CO 0.00 -0.20 0.00 0.41 -4.06 0.00 0.00 176.95 173.10 1b8t n GLY 5 N -0.17 4.31 0.00 3.67 0.00 -1.26 -5.18 105.19 106.57 1b8t n GLY 5 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.57 0.00 -0.02 0.00 -1.26 -5.18 105.19 99.30 1b8t n GLY 6 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.92 5.41 2.28 -0.02 0.00 -1.26 -5.01 105.19 105.67 1b8t n GLY 7 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1b8t n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b8t n LYS 8 N 0.00 0.60 -3.91 1.61 4.01 -0.26 -5.01 118.16 115.20 1b8t n LYS 8 Ca 0.00 -2.35 -0.28 0.00 -0.51 0.00 0.00 58.31 55.16 1b8t n LYS 8 Cb 0.00 1.42 -0.17 0.00 -0.51 0.00 0.00 35.03 35.77 1b8t n LYS 8 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1b8t s LYS 9 N -3.04 1.58 -0.37 1.97 -2.85 -1.26 -0.40 119.74 115.37 1b8t s LYS 9 Ca 0.17 -0.48 -0.28 0.00 -1.00 0.00 0.00 55.97 54.39 1b8t s LYS 9 Cb 0.01 -1.94 -0.03 0.00 -2.06 0.00 0.00 37.83 33.81 1b8t s LYS 9 CO 0.12 -0.37 1.98 0.00 0.10 0.00 0.00 175.35 177.18 1b8t n GLY 11 N 5.62 -0.95 0.02 0.00 0.00 -1.26 -0.07 105.19 108.55 1b8t n GLY 11 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.77 0.33 0.17 1.61 0.31 -1.26 -4.55 118.33 114.16 1b8t n VAL 12 Ca 0.12 0.43 0.06 0.00 -0.01 0.00 0.00 64.34 64.95 1b8t n VAL 12 Cb 0.06 -1.70 0.08 0.00 -0.91 0.00 0.00 33.84 31.36 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 -3.15 0.00 -4.62 0.00 6.02 0.90 -5.06 117.38 111.47 1b8t n GLN 14 Ca 0.02 0.11 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1b8t n GLN 14 Cb 0.65 -2.87 -0.12 0.00 1.02 0.00 0.00 30.24 28.93 1b8t n GLN 14 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1b8t s LYS 15 N -2.88 2.36 0.18 -1.09 2.20 -1.04 -4.88 119.74 114.60 1b8t s LYS 15 Ca 0.00 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 1b8t s LYS 15 Cb 0.00 -2.36 -0.08 0.00 -1.51 0.00 0.00 37.83 33.88 1b8t s LYS 15 CO 0.00 0.58 1.24 0.00 -0.36 0.00 0.00 175.35 176.81 1b8t s ALA 16 N -0.92 3.47 0.02 3.13 0.00 -1.26 0.26 121.76 126.47 1b8t s ALA 16 Ca 0.15 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.15 1b8t s ALA 16 Cb -0.11 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1b8t s ALA 16 CO 0.05 -0.44 -0.05 0.08 0.00 0.00 0.00 175.76 175.40 1b8t s VAL 17 N 0.07 3.76 0.18 0.00 1.01 0.46 -4.83 120.40 121.05 1b8t s VAL 17 Ca 0.55 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1b8t s VAL 17 Cb -0.34 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1b8t s VAL 17 CO 0.37 0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.79 1b8t n TYR 18 N 1.31 -3.01 -0.05 5.22 4.19 -1.26 -1.10 117.16 122.46 1b8t n TYR 18 Ca -0.14 0.62 -0.03 0.00 3.31 0.00 0.00 57.90 61.65 1b8t n TYR 18 Cb 0.52 1.78 -0.09 0.00 0.49 0.00 0.00 39.34 42.04 1b8t n TYR 18 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1b8t n PHE 19 N -2.86 0.00 -0.23 2.98 7.35 -1.26 -4.66 117.46 118.78 1b8t n PHE 19 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1b8t n PHE 19 Cb 0.00 -0.51 -0.07 0.00 0.35 0.00 0.00 39.48 39.25 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1b8t h ALA 20 N 0.70 -0.44 0.00 3.13 0.00 -1.93 -3.46 119.26 117.26 1b8t h ALA 20 Ca -0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1b8t h ALA 20 Cb 1.46 1.18 0.00 0.00 0.00 0.00 0.00 17.79 20.44 1b8t h ALA 20 CO 0.01 -0.69 0.00 -0.85 0.00 0.00 0.00 179.25 177.72 1b8t n GLU 21 N -4.50 0.00 -1.68 0.00 0.28 -1.26 -5.00 120.64 108.48 1b8t n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1b8t n GLU 21 Cb 0.19 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.06 1b8t n GLU 21 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1b8t n GLU 22 N 0.00 -4.50 -3.99 3.44 2.13 -1.26 -4.97 120.64 111.49 1b8t n GLU 22 Ca 0.00 3.26 -0.30 0.00 0.66 0.00 0.00 57.16 60.78 1b8t n GLU 22 Cb 0.00 -3.49 -0.16 0.00 0.27 0.00 0.00 31.44 28.06 1b8t n GLU 22 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1b8t s VAL 23 N -1.05 1.49 0.13 6.31 1.01 0.13 -4.83 120.40 123.60 1b8t s VAL 23 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1b8t s VAL 23 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1b8t s VAL 23 CO 0.00 0.32 0.09 -1.58 0.00 0.00 0.00 175.10 173.93 1b8t s GLN 24 N 1.50 2.81 0.12 2.72 0.74 -1.26 -0.37 119.66 125.91 1b8t s GLN 24 Ca 0.03 -0.83 -0.08 0.00 0.05 0.00 0.00 55.36 54.53 1b8t s GLN 24 Cb -0.14 -2.63 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1b8t s GLN 24 CO -0.09 0.52 0.20 0.00 -0.55 0.00 0.00 175.29 175.36 1b8t n GLU 26 N -0.12 -0.07 -2.61 0.00 -0.58 -1.26 -1.41 120.64 114.59 1b8t n GLU 26 Ca -0.11 1.30 -0.12 0.00 -0.42 0.00 0.00 57.16 57.81 1b8t n GLU 26 Cb 0.63 -1.98 0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b8t n GLY 27 N -1.50 2.89 3.63 0.62 0.00 -1.26 -5.08 105.19 104.49 1b8t n GLY 27 Ca 0.16 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.39 -0.24 -0.32 1.61 0.01 -0.50 -4.99 113.70 105.88 1b8t s SER 28 Ca 0.33 -0.59 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 1b8t s SER 28 Cb 0.41 0.62 0.20 0.00 0.21 0.00 0.00 66.02 67.47 1b8t s SER 28 CO -0.02 -1.15 1.11 -0.44 0.41 0.00 0.00 173.24 173.14 1b8t s SER 29 N -2.91 -0.19 0.26 2.44 0.01 -1.25 -0.88 113.70 111.18 1b8t s SER 29 Ca 0.12 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 1b8t s SER 29 Cb -0.02 0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1b8t s SER 29 CO 0.02 -0.02 0.27 -0.36 0.41 0.00 0.00 173.24 173.57 1b8t s PHE 30 N 1.63 1.20 1.10 2.43 0.08 0.50 -4.22 117.98 120.70 1b8t s PHE 30 Ca 0.17 -1.36 -0.14 0.00 0.12 0.00 0.00 56.93 55.73 1b8t s PHE 30 Cb 0.07 -0.42 0.20 0.00 -0.57 0.00 0.00 43.02 42.30 1b8t s PHE 30 CO -0.14 -0.83 0.76 0.72 -0.10 0.00 0.00 175.22 175.63 1b8t n HIS 31 N -0.43 -0.94 -0.03 0.36 8.25 -1.26 0.22 115.22 121.39 1b8t n HIS 31 Ca 0.03 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 1b8t n HIS 31 Cb 0.64 -1.73 -0.08 0.00 1.12 0.00 0.00 29.99 29.94 1b8t n HIS 31 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1b8t h LYS 32 N -2.32 0.18 -0.67 -0.41 3.64 -1.90 -0.29 116.57 114.81 1b8t h LYS 32 Ca -0.55 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 1b8t h LYS 32 Cb 1.32 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1b8t h LYS 32 CO 0.44 0.54 0.14 1.03 -2.27 0.00 0.00 179.45 179.33 1b8t h SER 33 N -0.19 1.04 -0.37 4.20 0.87 -1.91 -2.69 113.55 114.49 1b8t h SER 33 Ca 0.02 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1b8t h SER 33 Cb 0.49 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1b8t h SER 33 CO 0.01 1.02 0.24 0.00 -0.53 0.00 0.00 176.83 177.57 1b8t s PHE 35 N -6.16 1.84 -0.06 0.00 2.19 -0.13 -4.91 117.98 110.75 1b8t s PHE 35 Ca -0.13 0.52 -0.04 0.00 0.33 0.00 0.00 56.93 57.61 1b8t s PHE 35 Cb 0.11 -4.17 0.02 0.00 -1.31 0.00 0.00 43.02 37.67 1b8t s PHE 35 CO 0.72 -2.04 0.15 -1.17 1.83 0.00 0.00 175.22 174.70 1b8t s LEU 36 N 8.83 1.17 -0.27 6.12 0.20 -1.26 -1.53 118.68 131.94 1b8t s LEU 36 Ca 0.64 0.30 -0.35 0.00 0.69 0.00 0.00 54.13 55.40 1b8t s LEU 36 Cb -0.09 0.45 -0.12 0.00 -0.43 0.00 0.00 46.19 46.01 1b8t s LEU 36 CO 0.09 -0.09 2.04 0.00 -0.29 0.00 0.00 176.35 178.11 1b8t n MET 38 N 7.39 0.92 0.00 0.00 1.56 -0.35 -0.18 117.12 126.45 1b8t n MET 38 Ca 0.34 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 1b8t n MET 38 Cb 0.24 -1.00 0.00 0.00 2.15 0.00 0.00 33.22 34.61 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 -0.50 0.00 0.22 1.12 0.31 -1.26 -4.68 118.33 113.54 1b8t n VAL 39 Ca 0.00 0.34 0.11 0.00 -0.01 0.00 0.00 64.34 64.78 1b8t n VAL 39 Cb 0.00 -1.33 0.28 0.00 -0.91 0.00 0.00 33.84 31.88 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 -3.16 0.00 -3.76 0.00 4.81 0.74 -5.03 118.16 111.77 1b8t n LYS 41 Ca 0.02 0.41 -0.35 0.00 -0.87 0.00 0.00 58.31 57.52 1b8t n LYS 41 Cb 0.51 -3.77 -0.09 0.00 0.02 0.00 0.00 35.03 31.71 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 -2.23 4.13 0.67 1.64 2.36 -1.17 -4.79 119.74 120.34 1b8t s LYS 42 Ca 0.00 -0.25 -0.17 0.00 -2.55 0.00 0.00 55.97 53.00 1b8t s LYS 42 Cb 0.00 -3.41 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 1b8t s LYS 42 CO 0.00 0.24 0.74 0.27 1.55 0.00 0.00 175.35 178.15 1b8t n ASN 43 N 3.69 -0.29 -4.41 1.43 6.94 -1.26 0.24 115.26 121.59 1b8t n ASN 43 Ca -0.16 0.68 -0.26 0.00 -0.02 0.00 0.00 54.58 54.83 1b8t n ASN 43 Cb 0.52 -1.30 -0.11 0.00 -2.36 0.00 0.00 39.78 36.53 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b8t s LEU 44 N -1.21 2.45 0.00 -4.53 1.43 -0.58 -4.62 118.68 111.62 1b8t s LEU 44 Ca 0.71 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1b8t s LEU 44 Cb -0.38 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1b8t s LEU 44 CO 0.53 0.08 0.00 0.47 0.23 0.00 0.00 176.35 177.66 1b8t n ASP 45 N 0.16 0.00 -3.83 2.29 8.00 -1.26 -4.76 116.55 117.14 1b8t n ASP 45 Ca -0.12 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.15 1b8t n ASP 45 Cb 0.57 0.05 0.14 0.00 -0.02 0.00 0.00 41.12 41.86 1b8t n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1b8t n SER 46 N -1.29 -2.80 -4.06 -2.24 3.41 -1.26 -4.84 113.62 100.55 1b8t n SER 46 Ca 0.00 -0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 57.91 1b8t n SER 46 Cb 0.00 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 63.17 1b8t n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b8t n THR 47 N -4.28 4.94 -2.58 6.66 -2.24 -1.26 -4.36 114.28 111.17 1b8t n THR 47 Ca 0.03 -5.45 -0.02 0.00 -2.27 0.00 0.00 64.05 56.35 1b8t n THR 47 Cb 0.46 -2.24 0.02 0.00 -2.10 0.00 0.00 70.33 66.46 1b8t n THR 47 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1b8t n THR 48 N 2.17 0.00 -3.59 4.28 5.66 -1.26 -5.13 114.28 116.41 1b8t n THR 48 Ca 0.29 -0.37 -0.21 0.00 -3.05 0.00 0.00 64.05 60.71 1b8t n THR 48 Cb 0.35 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.71 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b8t s VAL 49 N 0.03 2.67 0.15 1.08 0.11 -1.26 -0.92 120.40 122.27 1b8t s VAL 49 Ca 0.03 -1.35 -0.10 0.00 -2.93 0.00 0.00 61.98 57.63 1b8t s VAL 49 Cb 0.09 -3.00 -0.00 0.00 -1.53 0.00 0.00 36.38 31.94 1b8t s VAL 49 CO -0.03 -0.01 0.28 0.00 -3.33 0.00 0.00 175.10 172.02 1b8t s ALA 50 N -2.47 -0.13 0.26 1.54 0.00 0.66 -4.64 121.76 116.98 1b8t s ALA 50 Ca 0.48 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.79 1b8t s ALA 50 Cb -0.03 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1b8t s ALA 50 CO 0.28 -0.62 -0.20 0.08 0.00 0.00 0.00 175.76 175.30 1b8t s VAL 51 N -3.93 2.37 -0.04 0.00 1.01 -1.26 -1.29 120.40 117.27 1b8t s VAL 51 Ca 0.13 -2.33 -0.08 0.00 0.00 0.00 0.00 61.98 59.71 1b8t s VAL 51 Cb 0.03 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1b8t s VAL 51 CO -0.03 -0.38 0.18 -2.28 0.00 0.00 0.00 175.10 172.58 1b8t s HIS 52 N -2.44 -0.10 -0.48 5.22 5.04 0.50 -4.84 115.29 118.19 1b8t s HIS 52 Ca 0.28 0.22 -0.26 0.00 -1.54 0.00 0.00 55.06 53.75 1b8t s HIS 52 Cb -0.05 0.02 -0.26 0.00 0.04 0.00 0.00 32.58 32.34 1b8t s HIS 52 CO 0.13 -0.21 1.79 0.41 -2.34 0.00 0.00 174.74 174.53 1b8t n GLY 53 N 2.18 1.37 0.00 1.59 0.00 -1.26 -0.82 105.19 108.25 1b8t n GLY 53 Ca -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1b8t n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b8t n ASP 54 N 9.40 0.00 -3.47 1.61 2.03 -1.26 -5.14 116.55 119.72 1b8t n ASP 54 Ca 0.48 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.81 1b8t n ASP 54 Cb 0.42 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.83 1b8t n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1b8t n GLU 55 N 0.00 0.20 -4.15 -0.67 1.02 -0.00 -5.16 120.64 111.87 1b8t n GLU 55 Ca 0.00 -0.74 -0.35 0.00 -0.02 0.00 0.00 57.16 56.05 1b8t n GLU 55 Cb 0.00 1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 32.53 1b8t n GLU 55 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1b8t s ILE 56 N -2.04 4.75 0.08 -3.67 -4.36 -1.26 -0.37 121.20 114.33 1b8t s ILE 56 Ca 0.26 -0.21 0.02 0.00 -0.26 0.00 0.00 60.65 60.46 1b8t s ILE 56 Cb -0.01 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 1b8t s ILE 56 CO -0.00 0.51 -0.07 -0.31 0.24 0.00 0.00 174.94 175.31 1b8t s TYR 57 N -1.04 0.82 0.35 1.37 2.02 -0.41 -1.21 117.35 119.26 1b8t s TYR 57 Ca 0.17 -0.81 -0.10 0.00 -0.37 0.00 0.00 57.07 55.96 1b8t s TYR 57 Cb -0.12 -0.48 -0.07 0.00 -0.40 0.00 0.00 41.96 40.89 1b8t s TYR 57 CO 0.07 -0.14 0.70 0.00 -1.57 0.00 0.00 175.55 174.61 1b8t n LYS 59 N -0.96 0.00 -0.02 0.00 4.81 -0.09 -0.36 118.16 121.54 1b8t n LYS 59 Ca 0.02 0.88 -0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1b8t n LYS 59 Cb 0.54 -1.34 -0.00 0.00 0.02 0.00 0.00 35.03 34.24 1b8t n LYS 59 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1b8t n SER 60 N -2.73 -0.04 -0.34 3.14 7.64 -1.26 0.14 113.62 120.17 1b8t n SER 60 Ca 0.00 0.62 -0.07 0.00 1.01 0.00 0.00 58.87 60.43 1b8t n SER 60 Cb 0.00 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1b8t n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8t h TYR 62 N -0.08 -0.75 0.00 0.00 3.20 0.42 1.31 116.97 121.07 1b8t h TYR 62 Ca 0.23 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1b8t h TYR 62 Cb 0.53 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1b8t h TYR 62 CO -0.87 -0.36 0.00 0.78 -1.64 0.00 0.00 178.16 176.07 1b8t h GLY 63 N -0.11 0.00 0.12 1.82 0.00 0.37 0.13 103.07 105.40 1b8t h GLY 63 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1b8t h GLY 63 CO -0.70 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 177.52 1b8t h LYS 64 N 0.00 -0.07 -0.26 4.80 1.63 0.61 0.38 116.57 123.66 1b8t h LYS 64 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1b8t h LYS 64 Cb 0.26 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1b8t h LYS 64 CO 0.00 0.45 0.07 0.87 -3.45 0.00 0.00 179.45 177.39 1b8t h LYS 65 N -0.95 0.42 -0.04 1.90 1.79 -0.50 -3.16 116.57 116.03 1b8t h LYS 65 Ca -0.01 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1b8t h LYS 65 Cb 0.56 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1b8t h LYS 65 CO 0.01 0.51 -0.01 1.88 -1.08 0.00 0.00 179.45 180.75 1b8t h TYR 66 N 0.26 0.09 0.00 -1.35 -1.99 -0.88 -3.43 116.97 109.67 1b8t h TYR 66 Ca 0.08 -0.02 -0.42 0.00 2.00 0.00 0.00 58.73 60.37 1b8t h TYR 66 Cb 0.27 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 38.90 1b8t h TYR 66 CO 0.01 0.45 1.58 0.41 -0.00 0.00 0.00 178.16 180.61 1b8t n GLY 67 N -0.03 -0.43 3.77 3.88 0.00 0.13 -4.85 105.19 107.66 1b8t n GLY 67 Ca -0.07 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 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 7.60 0.17 0.26 1.61 0.04 -1.26 -4.91 135.00 138.51 1b8t s PRO 68 Ca 1.19 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 62.16 1b8t s PRO 68 Cb -1.05 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1b8t s PRO 68 CO 0.44 -2.78 0.23 -1.59 0.04 0.00 0.00 177.00 173.34 1b8t s LYS 69 N -5.54 1.49 0.00 4.56 -2.85 -1.26 -5.18 119.74 110.95 1b8t s LYS 69 Ca 0.70 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1b8t s LYS 69 Cb -0.09 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1b8t s LYS 69 CO 0.54 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.87 1b8t n GLY 70 N -0.44 5.91 3.86 0.59 0.00 -1.26 -5.17 105.19 108.68 1b8t n GLY 70 Ca 0.04 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.96 1b8t n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 71 N -0.36 0.56 0.25 1.61 2.47 -1.26 -5.19 119.74 117.82 1b8t s LYS 71 Ca 0.00 -0.35 0.04 0.00 -1.56 0.00 0.00 55.97 54.10 1b8t s LYS 71 Cb 0.00 0.16 -0.01 0.00 -1.46 0.00 0.00 37.83 36.52 1b8t s LYS 71 CO 0.00 -0.26 0.26 0.41 0.16 0.00 0.00 175.35 175.91 1b8t n GLY 72 N -0.75 2.95 3.53 5.54 0.00 -1.26 -5.19 105.19 110.03 1b8t n GLY 72 Ca -0.01 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1b8t n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 73 N -2.88 1.77 0.00 1.61 3.01 -1.26 -5.18 119.74 116.80 1b8t s LYS 73 Ca 0.27 -1.55 0.00 0.00 -1.01 0.00 0.00 55.97 53.69 1b8t s LYS 73 Cb 0.01 0.46 0.00 0.00 -1.01 0.00 0.00 37.83 37.29 1b8t s LYS 73 CO 0.19 -0.74 0.00 0.41 0.51 0.00 0.00 175.35 175.73 1b8t n GLY 74 N -0.48 2.24 3.59 -3.33 0.00 -1.26 -5.19 105.19 100.76 1b8t n GLY 74 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.42 1b8t n GLY 74 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b8t s MET 75 N -2.00 0.17 0.00 1.61 -1.94 -1.26 -5.19 119.30 110.70 1b8t s MET 75 Ca 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.88 1b8t s MET 75 Cb 0.00 0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.90 1b8t s MET 75 CO 0.00 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1b8t n GLY 76 N -0.51 2.94 3.80 -0.03 0.00 -1.26 -5.19 105.19 104.94 1b8t n GLY 76 Ca -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.98 -2.34 0.00 4.61 0.00 -1.26 -5.19 121.76 115.61 1b8t s ALA 77 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1b8t s ALA 77 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1b8t s ALA 77 CO 0.00 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1b8t n GLY 78 N -0.69 4.01 3.57 0.00 0.00 -1.26 -5.19 105.19 105.63 1b8t n GLY 78 Ca -0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 1b8t n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b8t s THR 79 N -1.19 0.00 -0.29 2.61 -1.32 -1.26 -5.18 115.64 109.01 1b8t s THR 79 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1b8t s THR 79 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 1b8t s THR 79 CO 0.00 0.00 1.30 -0.22 -2.21 0.00 0.00 174.62 173.49 1b8t s LEU 80 N -1.97 -0.16 -0.18 9.08 1.98 -1.26 -5.18 118.68 120.99 1b8t s LEU 80 Ca 0.06 0.28 -0.32 0.00 -2.89 0.00 0.00 54.13 51.26 1b8t s LEU 80 Cb -0.01 1.28 0.14 0.00 0.66 0.00 0.00 46.19 48.26 1b8t s LEU 80 CO -0.05 -0.05 1.15 -0.55 -1.89 0.00 0.00 176.35 174.96 1b8t s SER 81 N 0.41 -0.20 -0.19 3.68 0.15 -1.26 -5.18 113.70 111.10 1b8t s SER 81 Ca 0.02 0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.48 1b8t s SER 81 Cb -0.04 0.19 0.15 0.00 -1.71 0.00 0.00 66.02 64.60 1b8t s SER 81 CO -0.13 -0.27 1.10 0.28 1.20 0.00 0.00 173.24 175.42 1b8t s THR 82 N -1.88 0.00 -0.14 6.45 -1.32 -1.26 -5.19 115.64 112.31 1b8t s THR 82 Ca 0.06 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.20 1b8t s THR 82 Cb -0.01 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.12 1b8t s THR 82 CO -0.04 0.00 1.35 1.51 -2.21 0.00 0.00 174.62 175.23 1b8t s ASP 83 N -1.08 -0.04 -0.15 8.08 -4.77 -1.26 -5.19 116.67 112.26 1b8t s ASP 83 Ca 0.01 -0.04 -0.30 0.00 -3.30 0.00 0.00 52.55 48.92 1b8t s ASP 83 Cb -0.01 0.07 0.13 0.00 -1.09 0.00 0.00 42.92 42.03 1b8t s ASP 83 CO -0.01 -0.12 1.05 -0.54 0.70 0.00 0.00 175.17 176.25 1b8t s LYS 84 N -2.19 0.53 0.09 2.11 -0.14 -1.26 -5.19 119.74 113.69 1b8t s LYS 84 Ca 0.13 0.01 -0.00 0.00 -1.36 0.00 0.00 55.97 54.74 1b8t s LYS 84 Cb 0.03 0.25 0.00 0.00 -1.68 0.00 0.00 37.83 36.43 1b8t s LYS 84 CO -0.05 -0.19 0.12 0.41 -0.76 0.00 0.00 175.35 174.89 1b8t n GLY 85 N 0.40 2.89 3.77 -3.33 0.00 -1.26 -5.19 105.19 102.47 1b8t n GLY 85 Ca -0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 1b8t n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b8t s GLU 86 N -2.20 1.24 0.00 1.61 2.12 -1.26 -5.19 118.70 115.03 1b8t s GLU 86 Ca 0.07 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.42 1b8t s GLU 86 Cb -0.00 0.42 0.10 0.00 0.26 0.00 0.00 34.13 34.90 1b8t s GLU 86 CO 0.05 -0.57 0.94 -1.12 -0.54 0.00 0.00 175.26 174.03 1b8t s SER 87 N -2.98 -0.30 0.11 -1.70 0.01 -1.26 -5.19 113.70 102.39 1b8t s SER 87 Ca 0.13 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 1b8t s SER 87 Cb -0.02 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1b8t s SER 87 CO 0.03 -0.62 0.26 -0.22 0.41 0.00 0.00 173.24 173.10 1b8t s LEU 88 N -2.55 1.10 0.00 2.44 1.98 -1.26 -5.18 118.68 115.22 1b8t s LEU 88 Ca 0.07 -0.60 -0.29 0.00 -2.89 0.00 0.00 54.13 50.41 1b8t s LEU 88 Cb -0.01 1.27 0.10 0.00 0.66 0.00 0.00 46.19 48.21 1b8t s LEU 88 CO -0.07 -0.79 1.08 -0.83 -1.89 0.00 0.00 176.35 173.85 1b8t s GLY 89 N -2.86 -0.35 0.07 7.98 0.00 -1.26 -5.19 107.32 105.71 1b8t s GLY 89 Ca 0.06 0.78 -0.28 0.00 0.00 0.00 0.00 44.72 45.29 1b8t s GLY 89 CO -0.10 0.22 1.09 -1.50 0.00 0.00 0.00 173.10 172.82 1b8t s ILE 90 N -2.85 0.00 -0.03 0.90 2.07 -1.26 -5.19 121.20 114.83 1b8t s ILE 90 Ca 0.10 -0.45 -0.30 0.00 -1.41 0.00 0.00 60.65 58.60 1b8t s ILE 90 Cb 0.00 -1.93 0.11 0.00 0.13 0.00 0.00 42.46 40.77 1b8t s ILE 90 CO -0.03 0.00 1.31 -0.75 -1.91 0.00 0.00 174.94 173.56 1b8t s LYS 91 N -2.92 0.30 0.07 3.50 2.20 -1.26 -5.19 119.74 116.44 1b8t s LYS 91 Ca 0.13 -0.19 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 1b8t s LYS 91 Cb 0.01 0.09 0.09 0.00 -1.51 0.00 0.00 37.83 36.51 1b8t s LYS 91 CO -0.01 -0.14 1.15 -0.47 -0.36 0.00 0.00 175.35 175.52 1b8t s TYR 92 N -2.12 -0.05 -0.07 4.03 5.04 -1.26 -5.19 117.35 117.74 1b8t s TYR 92 Ca 0.24 -0.17 -0.32 0.00 -2.44 0.00 0.00 57.07 54.39 1b8t s TYR 92 Cb 0.02 0.60 0.13 0.00 0.35 0.00 0.00 41.96 43.06 1b8t s TYR 92 CO -0.02 -0.55 1.32 -1.21 -1.34 0.00 0.00 175.55 173.75 1b8t s GLU 93 N -2.63 0.28 0.07 4.97 0.41 -1.26 -5.19 118.70 115.35 1b8t s GLU 93 Ca 0.16 -0.15 -0.28 0.00 -0.41 0.00 0.00 54.97 54.30 1b8t s GLU 93 Cb 0.01 0.10 0.09 0.00 -1.78 0.00 0.00 34.13 32.55 1b8t s GLU 93 CO -0.00 -0.13 1.13 -1.83 -0.49 0.00 0.00 175.26 173.94 1b8t s GLU 94 N -2.31 0.80 0.21 1.61 1.03 -1.26 -5.19 118.70 113.59 1b8t s GLU 94 Ca 0.14 -0.44 -0.21 0.00 0.03 0.00 0.00 54.97 54.48 1b8t s GLU 94 Cb 0.05 0.27 0.07 0.00 -0.80 0.00 0.00 34.13 33.72 1b8t s GLU 94 CO -0.05 -0.36 1.00 0.20 -1.33 0.00 0.00 175.26 174.72 1b8t s GLY 95 N -2.97 0.14 -0.29 -3.83 0.00 -1.26 -5.19 107.32 93.93 1b8t s GLY 95 Ca 0.13 -0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.20 1b8t s GLY 95 CO -0.01 2.05 1.39 1.62 0.00 0.00 0.00 173.10 178.15 1b8t s GLN 96 N -2.21 0.07 0.16 2.90 2.00 -1.26 -5.19 119.66 116.12 1b8t s GLN 96 Ca 0.21 0.04 -0.24 0.00 -2.00 0.00 0.00 55.36 53.36 1b8t s GLN 96 Cb -0.03 0.03 0.06 0.00 0.80 0.00 0.00 33.01 33.87 1b8t s GLN 96 CO 0.06 -0.02 0.84 0.45 -0.50 0.00 0.00 175.29 176.12 1b8t s SER 97 N -0.62 -0.28 -0.11 6.67 0.15 -1.26 -5.19 113.70 113.05 1b8t s SER 97 Ca 0.08 -0.33 -0.33 0.00 0.70 0.00 0.00 55.95 56.07 1b8t s SER 97 Cb -0.02 0.54 0.13 0.00 -1.71 0.00 0.00 66.02 64.96 1b8t s SER 97 CO -0.11 -0.97 1.25 -1.00 1.20 0.00 0.00 173.24 173.61 1b8t s HIS 98 N -3.48 -0.09 -0.13 3.44 3.76 -1.26 -5.19 115.29 112.35 1b8t s HIS 98 Ca 0.09 0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 54.72 1b8t s HIS 98 Cb -0.02 0.53 0.10 0.00 1.11 0.00 0.00 32.58 34.30 1b8t s HIS 98 CO -0.01 -0.23 0.86 -0.98 -0.85 0.00 0.00 174.74 173.53 1b8t s ARG 99 N -2.42 0.78 1.07 1.40 3.03 -1.26 -5.18 118.95 116.38 1b8t s ARG 99 Ca 0.12 0.26 -0.17 0.00 2.03 0.00 0.00 55.73 57.96 1b8t s ARG 99 Cb 0.02 0.37 0.24 0.00 -1.03 0.00 0.00 34.95 34.54 1b8t s ARG 99 CO -0.04 -0.23 1.21 -1.25 -1.13 0.00 0.00 175.30 173.86 1b8t s PRO 100 N -0.98 -0.19 -0.15 3.89 0.04 -1.26 -5.10 135.00 131.26 1b8t s PRO 100 Ca -0.05 -0.21 -0.31 0.00 0.04 0.00 0.00 61.00 60.47 1b8t s PRO 100 Cb -0.01 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.93 1b8t s PRO 100 CO 0.04 -3.00 1.08 -0.08 0.04 0.00 0.00 177.00 175.09 1b8t s THR 101 N -3.45 0.00 0.00 1.26 -1.32 -1.26 -5.15 115.64 105.73 1b8t s THR 101 Ca 0.72 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 1b8t s THR 101 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1b8t s THR 101 CO 0.54 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.75 1b8t n ASN 102 N 0.19 0.00 -4.17 8.08 2.85 -1.26 -5.18 115.26 115.78 1b8t n ASN 102 Ca -0.05 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.12 1b8t n ASN 102 Cb 0.59 0.00 0.19 0.00 1.24 0.00 0.00 39.78 41.80 1b8t n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1b8t s PRO 103 N 0.00 0.07 0.21 1.20 0.04 -1.26 -5.10 135.00 130.16 1b8t s PRO 103 Ca 0.00 -0.11 -0.20 0.00 0.04 0.00 0.00 61.00 60.72 1b8t s PRO 103 Cb 0.00 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.83 1b8t s PRO 103 CO 0.00 -2.84 0.61 0.54 0.04 0.00 0.00 177.00 175.34 1b8t s ASN 104 N -4.31 -0.36 0.08 6.66 4.22 -1.26 -5.18 114.94 114.79 1b8t s ASN 104 Ca 0.70 -0.37 -0.26 0.00 -2.14 0.00 0.00 52.86 50.79 1b8t s ASN 104 Cb -0.09 0.63 0.09 0.00 1.28 0.00 0.00 41.25 43.17 1b8t s ASN 104 CO 0.54 -1.12 1.14 0.00 -2.04 0.00 0.00 177.10 175.62 1b8t s ALA 105 N -3.85 -1.96 -0.08 3.54 0.00 -1.26 -5.19 121.76 112.96 1b8t s ALA 105 Ca 0.07 0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.81 1b8t s ALA 105 Cb -0.03 0.66 0.14 0.00 0.00 0.00 0.00 23.12 23.89 1b8t s ALA 105 CO -0.03 -1.08 1.37 -1.54 0.00 0.00 0.00 175.76 174.48 1b8t s SER 106 N -3.29 -0.03 -0.06 0.00 1.04 -1.26 -5.19 113.70 104.91 1b8t s SER 106 Ca 0.20 -0.06 -0.32 0.00 0.48 0.00 0.00 55.95 56.25 1b8t s SER 106 Cb 0.00 0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.33 1b8t s SER 106 CO 0.01 -0.14 1.31 -0.60 0.98 0.00 0.00 173.24 174.80 1b8t s ARG 107 N -2.21 0.31 -0.13 4.02 3.52 -1.26 -5.19 118.95 118.01 1b8t s ARG 107 Ca 0.14 -0.17 -0.34 0.00 -0.13 0.00 0.00 55.73 55.24 1b8t s ARG 107 Cb 0.06 0.11 0.14 0.00 -1.56 0.00 0.00 34.95 33.70 1b8t s ARG 107 CO -0.05 -0.14 1.33 0.00 -0.81 0.00 0.00 175.30 175.63 1b8t s MET 108 N -2.34 0.20 -0.12 5.12 0.23 -1.26 -5.19 119.30 115.94 1b8t s MET 108 Ca 0.14 -0.10 -0.33 0.00 -1.03 0.00 0.00 55.69 54.37 1b8t s MET 108 Cb 0.05 0.08 0.13 0.00 -1.53 0.00 0.00 34.83 33.55 1b8t s MET 108 CO -0.04 -0.09 1.18 0.00 -2.03 0.00 0.00 175.02 174.04 1b8t s ALA 109 N -2.23 -2.07 -0.18 3.16 0.00 -1.26 -5.19 121.76 113.99 1b8t s ALA 109 Ca 0.13 1.28 -0.35 0.00 0.00 0.00 0.00 51.96 53.02 1b8t s ALA 109 Cb 0.03 0.07 0.14 0.00 0.00 0.00 0.00 23.12 23.36 1b8t s ALA 109 CO -0.04 -0.72 1.19 1.14 0.00 0.00 0.00 175.76 177.32 1b8t s GLN 110 N -2.53 0.33 -0.23 0.00 1.03 -1.26 -5.18 119.66 111.82 1b8t s GLN 110 Ca 0.10 -0.12 -0.30 0.00 0.04 0.00 0.00 55.36 55.08 1b8t s GLN 110 Cb 0.00 0.15 0.16 0.00 0.03 0.00 0.00 33.01 33.36 1b8t s GLN 110 CO -0.05 -0.15 1.22 -1.59 -2.54 0.00 0.00 175.29 172.19 1b8t s LYS 111 N -2.45 0.27 0.30 9.60 -2.85 -1.26 -5.19 119.74 118.16 1b8t s LYS 111 Ca 0.09 0.05 -0.06 0.00 -1.00 0.00 0.00 55.97 55.05 1b8t s LYS 111 Cb -0.01 0.13 -0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1b8t s LYS 111 CO -0.05 -0.09 0.45 0.14 0.10 0.00 0.00 175.35 175.91 1b8t s VAL 112 N -1.17 0.00 0.00 1.79 -7.23 -1.26 -5.18 120.40 107.35 1b8t s VAL 112 Ca 0.05 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1b8t s VAL 112 Cb -0.01 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1b8t s VAL 112 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1b8t n GLY 113 N -0.48 1.68 0.00 2.32 0.00 -1.26 -5.18 105.19 102.27 1b8t n GLY 113 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.61 3.73 3.59 -0.02 0.00 -1.26 -5.18 105.19 105.44 1b8t n GLY 114 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1b8t n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b8t s SER 115 N 0.00 -0.59 -0.14 1.61 0.15 -1.26 -4.93 113.70 108.54 1b8t s SER 115 Ca 0.00 0.92 -0.34 0.00 0.70 0.00 0.00 55.95 57.23 1b8t s SER 115 Cb 0.00 0.86 0.15 0.00 -1.71 0.00 0.00 66.02 65.32 1b8t s SER 115 CO 0.00 -0.35 1.42 -1.81 1.20 0.00 0.00 173.24 173.69 1b8t s ASP 116 N -0.38 -0.01 0.57 5.45 1.01 -0.66 -5.07 116.67 117.58 1b8t s ASP 116 Ca -0.03 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.22 1b8t s ASP 116 Cb -0.03 0.02 0.04 0.00 1.01 0.00 0.00 42.92 43.96 1b8t s ASP 116 CO 0.02 -0.04 0.81 -0.83 0.21 0.00 0.00 175.17 175.35 1b8t s GLY 117 N -2.74 1.80 -0.43 0.21 0.00 -1.26 -0.01 107.32 104.89 1b8t s GLY 117 Ca 0.14 -1.26 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 1b8t s GLY 117 CO -0.05 -0.96 0.33 0.00 0.00 0.00 0.00 173.10 172.42 1b8t n PRO 119 N 5.19 0.75 0.00 0.00 -0.04 -1.25 0.31 135.00 139.97 1b8t n PRO 119 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1b8t n PRO 119 Cb 0.46 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1b8t n PRO 119 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1b8t n ARG 120 N -0.97 0.00 0.09 0.54 0.00 -1.26 -4.65 116.66 110.42 1b8t n ARG 120 Ca 0.17 0.14 -0.12 0.00 -0.00 0.00 0.00 57.85 58.03 1b8t n ARG 120 Cb 0.08 -0.63 -0.08 0.00 0.00 0.00 0.00 32.46 31.82 1b8t n ARG 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b8t n GLY 122 N 1.20 2.78 3.77 0.00 0.00 0.15 -5.07 105.19 108.02 1b8t n GLY 122 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.48 4.02 0.74 1.61 1.11 -1.24 -4.40 119.66 121.02 1b8t s GLN 123 Ca 0.00 2.01 -0.14 0.00 0.01 0.00 0.00 55.36 57.24 1b8t s GLN 123 Cb 0.00 -2.73 0.04 0.00 -1.01 0.00 0.00 33.01 29.31 1b8t s GLN 123 CO 0.00 -0.40 1.15 0.00 0.01 0.00 0.00 175.29 176.05 1b8t s ALA 124 N -1.32 2.16 -0.15 6.09 0.00 -1.26 -0.11 121.76 127.17 1b8t s ALA 124 Ca 0.57 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 1b8t s ALA 124 Cb -0.35 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.42 1b8t s ALA 124 CO 0.44 -1.80 -0.05 0.08 0.00 0.00 0.00 175.76 174.44 1b8t s VAL 125 N -2.32 1.01 0.00 0.00 1.01 0.98 -4.65 120.40 116.43 1b8t s VAL 125 Ca 0.69 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1b8t s VAL 125 Cb -0.24 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1b8t s VAL 125 CO 0.47 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1b8t n TYR 126 N 4.92 -1.31 0.00 5.22 9.36 -1.26 -1.66 117.16 132.43 1b8t n TYR 126 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 1b8t n TYR 126 Cb 0.48 0.26 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 1b8t n TYR 126 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1b8t n ALA 127 N -2.09 -0.13 -3.28 2.98 0.00 -1.26 -4.89 120.51 111.85 1b8t n ALA 127 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1b8t n ALA 127 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1b8t n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8t s ALA 128 N -3.26 -1.02 -0.67 0.00 0.00 -1.26 -4.98 121.76 110.57 1b8t s ALA 128 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1b8t s ALA 128 Cb 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1b8t s ALA 128 CO 0.00 -0.78 0.57 -1.91 0.00 0.00 0.00 175.76 173.64 1b8t n GLU 129 N -0.33 -3.01 -4.45 0.00 4.07 -1.26 -4.96 120.64 110.70 1b8t n GLU 129 Ca -0.12 0.50 -0.34 0.00 -0.06 0.00 0.00 57.16 57.15 1b8t n GLU 129 Cb 0.63 -4.33 -0.11 0.00 -0.06 0.00 0.00 31.44 27.57 1b8t n GLU 129 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1b8t s LYS 130 N -4.46 3.32 0.10 5.31 -2.85 -1.26 -2.08 119.74 117.81 1b8t s LYS 130 Ca 0.09 -0.50 0.07 0.00 -1.00 0.00 0.00 55.97 54.63 1b8t s LYS 130 Cb -0.01 -2.82 -0.03 0.00 -2.06 0.00 0.00 37.83 32.91 1b8t s LYS 130 CO 0.43 0.44 -0.18 0.54 0.10 0.00 0.00 175.35 176.68 1b8t s VAL 131 N -0.17 1.51 -0.17 1.79 0.11 0.14 -4.63 120.40 118.98 1b8t s VAL 131 Ca 0.03 -1.52 -0.00 0.00 -2.93 0.00 0.00 61.98 57.56 1b8t s VAL 131 Cb -0.13 -1.44 0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1b8t s VAL 131 CO 0.02 -0.16 -0.08 -0.63 -3.33 0.00 0.00 175.10 170.92 1b8t s ILE 132 N -1.36 1.28 -0.02 7.04 -1.09 -1.26 -1.04 121.20 124.76 1b8t s ILE 132 Ca 0.05 -0.68 -0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1b8t s ILE 132 Cb -0.09 -1.39 0.01 0.00 -1.58 0.00 0.00 42.46 39.41 1b8t s ILE 132 CO 0.04 0.20 0.05 -0.83 -1.23 0.00 0.00 174.94 173.18 1b8t s GLY 133 N 1.57 -0.04 -1.06 6.18 0.00 0.14 -4.90 107.32 109.22 1b8t s GLY 133 Ca 0.01 0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 1b8t s GLY 133 CO -0.08 0.16 0.74 0.00 0.00 0.00 0.00 173.10 173.92 1b8t n ALA 134 N 3.10 -2.60 -3.27 3.20 0.00 -1.26 0.03 120.51 119.71 1b8t n ALA 134 Ca -0.13 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 1b8t n ALA 134 Cb 0.59 -3.12 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 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 -1.75 -0.46 3.25 0.00 0.00 -1.26 -4.85 105.19 100.12 1b8t n GLY 135 Ca -0.12 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.86 1.22 0.09 1.61 1.02 0.11 -5.17 119.74 112.75 1b8t s LYS 136 Ca 0.32 -1.63 0.06 0.00 0.02 0.00 0.00 55.97 54.75 1b8t s LYS 136 Cb -0.19 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 36.96 1b8t s LYS 136 CO 0.39 -0.25 -0.17 0.45 -0.92 0.00 0.00 175.35 174.86 1b8t s SER 137 N -3.21 2.03 0.12 2.83 0.15 -1.26 0.26 113.70 114.61 1b8t s SER 137 Ca 0.31 -0.65 -0.26 0.00 0.70 0.00 0.00 55.95 56.06 1b8t s SER 137 Cb 0.07 -0.08 0.08 0.00 -1.71 0.00 0.00 66.02 64.38 1b8t s SER 137 CO 0.09 -0.03 1.08 -1.66 1.20 0.00 0.00 173.24 173.91 1b8t s TRP 138 N -1.27 -0.04 0.02 3.44 -2.14 -0.20 -3.84 118.94 114.90 1b8t s TRP 138 Ca 0.02 -0.23 -0.30 0.00 2.66 0.00 0.00 56.10 58.24 1b8t s TRP 138 Cb -0.10 0.63 -0.06 0.00 -3.10 0.00 0.00 33.47 30.85 1b8t s TRP 138 CO 0.03 -0.70 1.41 -1.01 -2.66 0.00 0.00 176.95 174.02 1b8t s HIS 139 N -2.70 2.88 -0.80 1.66 3.76 -1.26 0.24 115.29 119.07 1b8t s HIS 139 Ca 0.16 0.81 -0.25 0.00 -0.15 0.00 0.00 55.06 55.64 1b8t s HIS 139 Cb -0.00 -3.68 -0.20 0.00 1.11 0.00 0.00 32.58 29.81 1b8t s HIS 139 CO 0.02 -2.49 1.90 1.17 -0.85 0.00 0.00 174.74 174.48 1b8t n LYS 140 N 5.21 0.90 0.00 1.40 4.81 -0.88 -1.54 118.16 128.05 1b8t n LYS 140 Ca 0.13 -1.82 0.00 0.00 -0.87 0.00 0.00 58.31 55.75 1b8t n LYS 140 Cb 0.43 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 32.19 1b8t n LYS 140 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1b8t n SER 141 N 12.64 0.00 0.25 3.14 7.64 -1.26 -4.93 113.62 131.10 1b8t n SER 141 Ca 0.46 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.47 1b8t n SER 141 Cb 0.44 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.26 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8t n PHE 143 N -3.38 0.46 -4.20 0.00 -0.00 -1.07 -4.73 117.46 104.54 1b8t n PHE 143 Ca -0.00 0.31 -0.35 0.00 -0.00 0.00 0.00 57.45 57.41 1b8t n PHE 143 Cb 0.33 -1.95 -0.09 0.00 -0.00 0.00 0.00 39.48 37.76 1b8t n PHE 143 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1b8t s ARG 144 N 7.41 3.43 0.12 -4.13 0.52 -1.26 -1.23 118.95 123.81 1b8t s ARG 144 Ca 1.12 -0.36 -0.32 0.00 -0.52 0.00 0.00 55.73 55.64 1b8t s ARG 144 Cb -1.04 -2.99 -0.12 0.00 0.52 0.00 0.00 34.95 31.33 1b8t s ARG 144 CO 0.40 0.53 1.76 0.00 0.02 0.00 0.00 175.30 178.02 1b8t n ALA 146 N 4.92 4.39 0.00 0.00 0.00 -0.49 -0.22 120.51 129.11 1b8t n ALA 146 Ca 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1b8t n ALA 146 Cb 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.01 0.00 -0.00 0.00 3.00 -1.26 -4.86 118.16 115.04 1b8t n LYS 147 Ca 0.28 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.64 1b8t n LYS 147 Cb 0.85 -0.35 -0.08 0.00 0.00 0.00 0.00 35.03 35.46 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 1.73 0.57 3.77 0.00 0.00 0.69 -5.00 105.19 106.96 1b8t n GLY 149 Ca -0.01 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1b8t n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 150 N -1.43 4.43 0.22 1.61 2.36 -1.25 -4.68 119.74 121.01 1b8t s LYS 150 Ca 0.00 0.97 -0.30 0.00 -2.55 0.00 0.00 55.97 54.09 1b8t s LYS 150 Cb 0.00 -3.30 -0.09 0.00 -1.05 0.00 0.00 37.83 33.39 1b8t s LYS 150 CO 0.00 0.47 1.40 -1.12 1.55 0.00 0.00 175.35 177.65 1b8t s SER 151 N -0.68 6.74 0.36 1.43 0.01 -1.26 -0.87 113.70 119.43 1b8t s SER 151 Ca 0.34 2.55 0.05 0.00 1.31 0.00 0.00 55.95 60.20 1b8t s SER 151 Cb -0.21 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.46 1b8t s SER 151 CO 0.22 -0.64 0.46 0.18 0.41 0.00 0.00 173.24 173.87 1b8t n LEU 152 N 2.60 0.00 -3.59 2.44 4.77 -0.36 -4.90 117.00 117.97 1b8t n LEU 152 Ca 0.07 -1.36 0.01 0.00 -0.03 0.00 0.00 56.01 54.70 1b8t n LEU 152 Cb 0.41 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1b8t n LEU 152 CO 0.60 -0.64 0.84 -1.83 -1.33 0.00 0.00 177.39 175.02 1b8t s GLU 153 N -3.53 0.20 0.21 3.23 -1.05 -1.26 -4.82 118.70 111.68 1b8t s GLU 153 Ca 0.34 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.52 1b8t s GLU 153 Cb -0.03 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.74 1b8t s GLU 153 CO 0.22 -0.05 0.00 0.45 0.95 0.00 0.00 175.26 176.83 1b8t n SER 154 N 3.62 -4.49 -4.56 0.83 2.88 -1.26 -4.44 113.62 106.19 1b8t n SER 154 Ca -0.16 0.40 -0.16 0.00 -1.33 0.00 0.00 58.87 57.62 1b8t n SER 154 Cb 0.56 -2.35 -0.07 0.00 -0.75 0.00 0.00 64.21 61.61 1b8t n SER 154 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1b8t s THR 155 N -2.08 3.03 0.00 2.46 -4.23 -1.26 -4.29 115.64 109.26 1b8t s THR 155 Ca 0.00 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1b8t s THR 155 Cb 0.00 -3.06 0.02 0.00 1.34 0.00 0.00 72.50 70.80 1b8t s THR 155 CO 0.00 -0.06 0.81 1.07 -0.54 0.00 0.00 174.62 175.91 1b8t n THR 156 N 8.69 0.00 -4.04 3.99 5.66 -1.26 -5.08 114.28 122.24 1b8t n THR 156 Ca 0.46 -0.04 -0.22 0.00 -3.05 0.00 0.00 64.05 61.19 1b8t n THR 156 Cb 0.44 0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 69.51 1b8t n THR 156 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1b8t s LEU 157 N 0.00 4.06 -0.18 1.09 0.05 -1.26 -0.68 118.68 121.76 1b8t s LEU 157 Ca 0.01 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.12 1b8t s LEU 157 Cb 0.01 -2.61 0.04 0.00 -2.05 0.00 0.00 46.19 41.59 1b8t s LEU 157 CO -0.01 -0.03 -0.09 0.00 -0.55 0.00 0.00 176.35 175.68 1b8t s ALA 158 N -1.99 1.75 -0.95 1.48 0.00 0.14 -4.75 121.76 117.44 1b8t s ALA 158 Ca 0.33 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1b8t s ALA 158 Cb -0.09 -1.18 0.20 0.00 0.00 0.00 0.00 23.12 22.05 1b8t s ALA 158 CO 0.27 -0.74 1.00 0.16 0.00 0.00 0.00 175.76 176.45 1b8t s ASP 159 N 1.51 6.84 -0.01 0.00 -4.77 -1.25 -0.21 116.67 118.78 1b8t s ASP 159 Ca 0.00 -2.67 0.07 0.00 -3.30 0.00 0.00 52.55 46.66 1b8t s ASP 159 Cb -0.15 -2.29 -0.02 0.00 -1.09 0.00 0.00 42.92 39.37 1b8t s ASP 159 CO -0.08 -0.70 -0.23 -0.75 0.70 0.00 0.00 175.17 174.11 1b8t s LYS 160 N 0.87 1.86 -1.06 2.11 2.20 0.11 -4.78 119.74 121.06 1b8t s LYS 160 Ca 0.27 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 1b8t s LYS 160 Cb -0.08 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1b8t s LYS 160 CO -0.08 0.50 0.73 -0.25 -0.36 0.00 0.00 175.35 175.89 1b8t n ASP 161 N 2.43 -5.28 -3.34 1.43 10.43 -1.26 0.03 116.55 120.99 1b8t n ASP 161 Ca -0.16 -0.97 -0.21 0.00 2.57 0.00 0.00 54.79 56.02 1b8t n ASP 161 Cb 0.52 -2.94 -0.04 0.00 1.84 0.00 0.00 41.12 40.50 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1b8t n GLY 162 N -1.76 -0.40 3.09 0.44 0.00 -1.26 -4.86 105.19 100.43 1b8t n GLY 162 Ca -0.13 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1b8t n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b8t s GLU 163 N -5.64 0.60 -0.09 1.61 2.02 0.10 -5.08 118.70 112.22 1b8t s GLU 163 Ca 0.40 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1b8t s GLU 163 Cb -0.24 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.73 1b8t s GLU 163 CO 0.50 0.02 -0.08 0.96 0.02 0.00 0.00 175.26 176.68 1b8t s ILE 164 N -2.00 3.61 0.31 -1.63 -4.36 -1.25 0.10 121.20 115.96 1b8t s ILE 164 Ca -0.04 -0.50 0.06 0.00 -0.26 0.00 0.00 60.65 59.90 1b8t s ILE 164 Cb -0.06 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 1b8t s ILE 164 CO -0.01 0.57 0.29 -1.22 0.24 0.00 0.00 174.94 174.81 1b8t n TYR 165 N 2.64 -0.84 -3.57 1.37 4.01 0.70 -1.39 117.16 120.08 1b8t n TYR 165 Ca -0.18 -2.49 -0.34 0.00 -0.16 0.00 0.00 57.90 54.73 1b8t n TYR 165 Cb 0.53 0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 39.81 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 3.39 0.44 -0.06 0.00 3.11 -1.19 1.57 116.57 123.82 1b8t h LYS 167 Ca -0.48 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.35 1b8t h LYS 167 Cb 1.18 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1b8t h LYS 167 CO 0.68 0.29 0.04 0.78 -2.81 0.00 0.00 179.45 178.43 1b8t h GLY 168 N 0.45 0.00 0.32 5.01 0.00 -1.93 0.41 103.07 107.33 1b8t h GLY 168 Ca 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.89 1b8t h GLY 168 CO -0.54 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 175.56 1b8t h TYR 170 N -0.70 0.44 0.01 0.00 3.20 -0.19 0.43 116.97 120.16 1b8t h TYR 170 Ca -0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 1b8t h TYR 170 Cb 1.32 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1b8t h TYR 170 CO 0.23 0.27 -0.01 0.00 -1.64 0.00 0.00 178.16 177.01 1b8t h ALA 171 N 1.76 -0.03 -0.23 1.82 0.00 -0.27 -3.19 119.26 119.13 1b8t h ALA 171 Ca 0.16 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1b8t h ALA 171 Cb 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1b8t h ALA 171 CO -0.04 -0.02 -0.50 0.87 0.00 0.00 0.00 179.25 179.56 1b8t h LYS 172 N -0.70 -0.44 -1.07 0.00 1.57 -1.04 0.52 116.57 115.41 1b8t h LYS 172 Ca -0.00 0.03 0.42 0.00 -1.87 0.00 0.00 60.65 59.23 1b8t h LYS 172 Cb 0.01 0.10 -0.16 0.00 0.08 0.00 0.00 32.23 32.26 1b8t h LYS 172 CO 0.00 -0.30 0.61 0.09 -0.57 0.00 0.00 179.45 179.29 1b8t n ASN 173 N -5.15 0.30 -2.95 0.86 3.02 0.15 -0.07 115.26 111.43 1b8t n ASN 173 Ca -0.05 1.54 -0.25 0.00 -0.03 0.00 0.00 54.58 55.79 1b8t n ASN 173 Cb 0.33 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 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 -5.06 3.36 0.00 3.10 3.72 0.15 -4.90 117.46 117.83 1b8t n PHE 174 Ca 0.38 -3.90 0.00 0.00 -0.05 0.00 0.00 57.45 53.87 1b8t n PHE 174 Cb 1.32 -0.45 0.00 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 -0.18 -1.05 0.20 1.37 0.00 0.90 -4.80 105.19 101.64 1b8t n GLY 175 Ca 0.30 0.81 -0.18 0.00 0.00 0.00 0.00 46.02 46.95 1b8t n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8t h PRO 176 N 0.00 0.69 -0.27 1.61 0.13 -1.85 -3.38 132.00 128.93 1b8t h PRO 176 Ca 0.00 -0.67 0.25 0.00 -0.87 0.00 0.00 66.00 64.71 1b8t h PRO 176 Cb 0.00 0.17 -0.22 0.00 0.13 0.00 0.00 31.00 31.08 1b8t h PRO 176 CO 0.00 1.26 0.23 0.21 -0.23 0.00 0.00 178.00 179.47 1b8t s LYS 177 N -3.46 0.13 0.00 0.86 2.20 -1.26 -5.11 119.74 113.10 1b8t s LYS 177 Ca -0.09 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1b8t s LYS 177 Cb 0.08 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1b8t s LYS 177 CO 0.91 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 176.18 1b8t n GLY 178 N 5.35 2.85 3.45 5.54 0.00 -1.26 -5.12 105.19 116.00 1b8t n GLY 178 Ca -0.08 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1b8t n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b8t n PHE 179 N 0.00 -1.04 -1.65 1.61 3.01 -1.26 -4.99 117.46 113.15 1b8t n PHE 179 Ca 0.00 0.29 -0.30 0.00 1.01 0.00 0.00 57.45 58.44 1b8t n PHE 179 Cb 0.00 -1.85 0.22 0.00 -0.01 0.00 0.00 39.48 37.84 1b8t n PHE 179 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b8t s GLY 180 N -1.82 1.74 0.06 1.37 0.00 -1.26 -5.10 107.32 102.30 1b8t s GLY 180 Ca 0.61 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 44.12 1b8t s GLY 180 CO 0.63 -0.36 -0.06 -1.36 0.00 0.00 0.00 173.10 171.95 1b8t s PHE 181 N -3.64 0.64 0.00 1.90 0.40 -1.26 -5.13 117.98 110.90 1b8t s PHE 181 Ca 0.75 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1b8t s PHE 181 Cb -0.04 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.09 1b8t s PHE 181 CO 0.54 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.71 1b8t n GLY 182 N 0.88 1.88 3.65 4.36 0.00 -1.26 -5.17 105.19 109.52 1b8t n GLY 182 Ca -0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 1.67 0.23 -0.04 1.61 0.74 -1.26 -5.17 119.66 117.43 1b8t s GLN 183 Ca 0.00 0.37 -0.05 0.00 0.05 0.00 0.00 55.36 55.73 1b8t s GLN 183 Cb 0.00 0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.18 1b8t s GLN 183 CO 0.00 -0.04 0.14 0.20 -0.55 0.00 0.00 175.29 175.03 1b8t s GLY 184 N 0.97 -0.08 -0.00 2.59 0.00 -1.26 -5.15 107.32 104.39 1b8t s GLY 184 Ca -0.06 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1b8t s GLY 184 CO -0.12 0.25 1.27 0.00 0.00 0.00 0.00 173.10 174.49 1b8t s ALA 185 N -0.14 -2.32 0.00 3.20 0.00 -1.26 -5.13 121.76 116.12 1b8t s ALA 185 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1b8t s ALA 185 Cb -0.02 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1b8t s ALA 185 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1b8t n GLY 186 N -0.72 -1.45 3.42 0.00 0.00 -1.26 -5.13 105.19 100.04 1b8t n GLY 186 Ca -0.02 0.66 -0.40 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 3.33 -0.40 4.61 0.00 -1.26 -4.93 121.76 123.11 1b8t s ALA 187 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1b8t s ALA 187 Cb 0.00 -2.59 0.24 0.00 0.00 0.00 0.00 23.12 20.77 1b8t s ALA 187 CO 0.00 -1.23 1.05 -0.11 0.00 0.00 0.00 175.76 175.47 1b8t n LEU 188 N 5.03 -2.04 -3.68 0.00 0.00 -1.26 -5.14 117.00 109.92 1b8t n LEU 188 Ca -0.12 -2.16 -0.09 0.00 0.00 0.00 0.00 56.01 53.64 1b8t n LEU 188 Cb 0.47 0.65 -0.10 0.00 0.00 0.00 0.00 43.42 44.45 1b8t n LEU 188 CO 0.36 1.65 0.06 -0.51 0.00 0.00 0.00 177.39 178.96 1b8t s ILE 189 N 0.55 -0.29 0.12 1.96 -1.16 -1.26 -5.05 121.20 116.07 1b8t s ILE 189 Ca 0.28 0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.53 1b8t s ILE 189 Cb 0.17 -0.66 0.00 0.00 0.61 0.00 0.00 42.46 42.58 1b8t s ILE 189 CO -0.13 0.05 0.00 1.57 -2.81 0.00 0.00 174.94 173.62 1b8t n HIS 190 N 4.73 -0.69 0.21 3.50 -0.00 -1.26 -5.08 115.22 116.63 1b8t n HIS 190 Ca -0.17 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1b8t n HIS 190 Cb 0.53 0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.72 1b8t n HIS 190 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1b8t n SER 191 N -3.23 -3.60 -0.80 0.26 2.88 -1.26 -5.37 113.62 102.51 1b8t n SER 191 Ca 0.00 0.79 0.10 0.00 -1.33 0.00 0.00 58.87 58.43 1b8t n SER 191 Cb 0.00 3.40 0.08 0.00 -0.75 0.00 0.00 64.21 66.94 1b8t n SER 191 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48