#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 4.14 0.04 0.03 0.04 -1.26 -4.96 135.00 133.03 1b8t s PRO 2 Ca 0.00 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 1b8t s PRO 2 Cb 0.00 -3.81 0.09 0.00 0.04 0.00 0.00 34.50 30.83 1b8t s PRO 2 CO 0.00 -0.83 1.07 1.21 0.04 0.00 0.00 177.00 178.49 1b8t s ASN 3 N 2.29 -0.17 0.15 6.66 2.47 -1.26 -5.19 114.94 119.90 1b8t s ASN 3 Ca 0.56 -0.21 -0.18 0.00 0.42 0.00 0.00 52.86 53.45 1b8t s ASN 3 Cb -0.21 0.34 0.04 0.00 -1.45 0.00 0.00 41.25 39.97 1b8t s ASN 3 CO 0.17 -0.61 0.47 0.26 -3.72 0.00 0.00 177.10 173.68 1b8t s TRP 4 N -2.91 -0.25 0.00 0.43 0.52 -1.26 -5.18 118.94 110.29 1b8t s TRP 4 Ca 0.11 -0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.18 1b8t s TRP 4 Cb 0.01 0.35 0.00 0.00 -1.15 0.00 0.00 33.47 32.68 1b8t s TRP 4 CO -0.02 -0.79 0.00 0.41 0.02 0.00 0.00 176.95 176.57 1b8t n GLY 5 N -0.29 3.95 4.00 0.98 0.00 -1.26 -5.19 105.19 107.38 1b8t n GLY 5 Ca -0.15 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 0.10 3.24 -0.02 0.00 -1.26 -5.19 105.19 102.05 1b8t n GLY 6 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.98 0.34 3.86 -0.02 0.00 -1.26 -4.82 105.19 102.32 1b8t n GLY 7 Ca 0.06 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.02 2.24 -0.06 1.61 1.02 -0.40 -4.96 119.74 117.18 1b8t s LYS 8 Ca 0.24 -2.12 0.01 0.00 0.02 0.00 0.00 55.97 54.11 1b8t s LYS 8 Cb -0.01 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1b8t s LYS 8 CO 0.00 -0.53 -0.05 -1.59 -0.92 0.00 0.00 175.35 172.27 1b8t s LYS 9 N -4.15 0.93 -0.50 1.68 0.00 -1.26 -0.55 119.74 115.88 1b8t s LYS 9 Ca 0.26 -0.11 -0.26 0.00 0.00 0.00 0.00 55.97 55.86 1b8t s LYS 9 Cb -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 37.83 36.88 1b8t s LYS 9 CO 0.16 -0.12 0.99 0.00 0.00 0.00 0.00 175.35 176.37 1b8t n GLY 11 N 4.99 -0.94 0.01 0.00 0.00 -1.21 -0.12 105.19 107.93 1b8t n GLY 11 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.78 0.25 0.17 1.61 0.31 -1.26 -4.57 118.33 114.06 1b8t n VAL 12 Ca 0.13 0.44 0.05 0.00 -0.01 0.00 0.00 64.34 64.95 1b8t n VAL 12 Cb 0.06 -1.65 0.15 0.00 -0.91 0.00 0.00 33.84 31.49 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 -3.26 0.00 -4.85 0.00 0.00 0.83 -5.06 117.38 105.04 1b8t n GLN 14 Ca 0.02 0.12 -0.30 0.00 -0.00 0.00 0.00 57.00 56.84 1b8t n GLN 14 Cb 0.64 -2.98 -0.15 0.00 0.00 0.00 0.00 30.24 27.76 1b8t n GLN 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1b8t s LYS 15 N -2.89 1.74 0.83 3.69 2.47 -1.08 -4.88 119.74 119.61 1b8t s LYS 15 Ca 0.00 -1.12 -0.13 0.00 -1.56 0.00 0.00 55.97 53.16 1b8t s LYS 15 Cb 0.00 -1.94 0.10 0.00 -1.46 0.00 0.00 37.83 34.53 1b8t s LYS 15 CO 0.00 0.50 1.19 0.00 0.16 0.00 0.00 175.35 177.20 1b8t s ALA 16 N -0.83 1.77 0.17 3.13 0.00 -1.26 -0.36 121.76 124.38 1b8t s ALA 16 Ca 0.12 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1b8t s ALA 16 Cb -0.10 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1b8t s ALA 16 CO 0.02 -2.38 -0.09 0.08 0.00 0.00 0.00 175.76 173.39 1b8t s VAL 17 N -2.27 1.23 0.63 0.00 1.01 0.29 -4.69 120.40 116.60 1b8t s VAL 17 Ca 0.72 -2.08 0.03 0.00 0.00 0.00 0.00 61.98 60.65 1b8t s VAL 17 Cb -0.27 -1.97 0.09 0.00 0.00 0.00 0.00 36.38 34.23 1b8t s VAL 17 CO 0.52 -0.65 0.87 -0.31 0.00 0.00 0.00 175.10 175.53 1b8t s TYR 18 N -3.29 1.84 -1.40 5.22 2.02 -1.26 -1.27 117.35 119.21 1b8t s TYR 18 Ca 0.20 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 1b8t s TYR 18 Cb 0.03 -2.69 0.08 0.00 -0.40 0.00 0.00 41.96 38.98 1b8t s TYR 18 CO 0.03 -1.32 2.12 0.34 -1.57 0.00 0.00 175.55 175.15 1b8t n PHE 19 N -2.51 3.28 0.00 2.71 7.35 -1.26 -3.22 117.46 123.80 1b8t n PHE 19 Ca 0.13 -2.91 0.00 0.00 -0.76 0.00 0.00 57.45 53.91 1b8t n PHE 19 Cb 0.61 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 38.11 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1b8t n ALA 20 N 5.19 0.00 -0.17 3.13 0.00 -1.26 -4.96 120.51 122.44 1b8t n ALA 20 Ca 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1b8t n ALA 20 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.83 1b8t n ALA 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1b8t h GLU 21 N 0.00 0.71 -6.01 0.00 4.39 -1.97 -3.44 114.58 108.26 1b8t h GLU 21 Ca 0.00 -0.12 -0.83 0.00 0.34 0.00 0.00 59.36 58.75 1b8t h GLU 21 Cb 0.00 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1b8t h GLU 21 CO 0.00 0.62 0.43 -0.85 -1.16 0.00 0.00 179.01 178.05 1b8t n GLU 22 N -4.59 0.06 -4.06 2.33 -0.00 -1.20 -3.45 120.64 109.73 1b8t n GLU 22 Ca 0.02 0.02 -0.33 0.00 -0.00 0.00 0.00 57.16 56.86 1b8t n GLU 22 Cb 0.14 -1.53 -0.15 0.00 -0.00 0.00 0.00 31.44 29.89 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 1.74 2.38 -0.08 3.84 1.01 0.08 -4.95 120.40 124.41 1b8t s VAL 23 Ca 0.99 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1b8t s VAL 23 Cb -1.38 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1b8t s VAL 23 CO 0.71 0.35 1.04 -1.58 0.00 0.00 0.00 175.10 175.62 1b8t s GLN 24 N 1.28 4.43 -0.01 2.72 0.74 -1.26 -0.45 119.66 127.11 1b8t s GLN 24 Ca 0.02 1.46 0.02 0.00 0.05 0.00 0.00 55.36 56.90 1b8t s GLN 24 Cb -0.15 -3.53 -0.00 0.00 1.10 0.00 0.00 33.01 30.43 1b8t s GLN 24 CO -0.09 -0.30 -0.06 0.00 -0.55 0.00 0.00 175.29 174.29 1b8t n GLU 26 N 3.06 0.00 0.00 0.00 -0.58 -1.26 0.24 120.64 122.10 1b8t n GLU 26 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1b8t n GLU 26 Cb 0.57 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 6.77 3.17 3.82 0.62 0.00 -1.26 -4.79 105.19 113.51 1b8t n GLY 27 Ca 0.57 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.03 -0.06 1.61 0.01 0.14 -5.16 113.70 110.20 1b8t s SER 28 Ca 0.00 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.26 1b8t s SER 28 Cb 0.00 0.80 -0.03 0.00 0.21 0.00 0.00 66.02 67.01 1b8t s SER 28 CO 0.00 -1.58 -0.13 -0.94 0.41 0.00 0.00 173.24 171.00 1b8t s SER 29 N -3.07 4.13 0.20 2.44 1.04 -1.26 -0.46 113.70 116.72 1b8t s SER 29 Ca 0.15 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1b8t s SER 29 Cb -0.05 -1.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.02 1b8t s SER 29 CO 0.10 0.32 -0.01 -0.36 0.98 0.00 0.00 173.24 174.28 1b8t s PHE 30 N -0.60 1.40 0.99 5.02 0.08 0.40 -3.33 117.98 121.95 1b8t s PHE 30 Ca 0.09 -0.95 -0.12 0.00 0.12 0.00 0.00 56.93 56.07 1b8t s PHE 30 Cb -0.11 -0.80 0.14 0.00 -0.57 0.00 0.00 43.02 41.68 1b8t s PHE 30 CO 0.01 -0.09 0.85 0.72 -0.10 0.00 0.00 175.22 176.60 1b8t n HIS 31 N -0.33 -0.29 0.29 0.36 8.25 -1.26 -0.75 115.22 121.49 1b8t n HIS 31 Ca -0.06 0.24 -0.18 0.00 -0.26 0.00 0.00 57.72 57.46 1b8t n HIS 31 Cb 0.63 -1.86 -0.09 0.00 1.12 0.00 0.00 29.99 29.80 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 -1.98 -0.91 -0.01 -0.41 1.63 -1.92 0.18 116.57 113.15 1b8t h LYS 32 Ca -0.47 0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.34 1b8t h LYS 32 Cb 1.29 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 33.12 1b8t h LYS 32 CO 0.40 -0.61 -0.23 0.66 -3.45 0.00 0.00 179.45 176.23 1b8t h SER 33 N -0.94 0.01 -0.75 4.20 4.64 -1.92 -2.07 113.55 116.71 1b8t h SER 33 Ca -0.06 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1b8t h SER 33 Cb 0.82 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 1b8t h SER 33 CO -0.03 0.24 0.46 0.00 -0.87 0.00 0.00 176.83 176.63 1b8t n PHE 35 N -4.67 1.28 -3.86 0.00 -0.00 -0.03 -4.79 117.46 105.39 1b8t n PHE 35 Ca 0.09 -0.91 -0.15 0.00 -0.00 0.00 0.00 57.45 56.48 1b8t n PHE 35 Cb 0.13 -1.90 -0.16 0.00 -0.00 0.00 0.00 39.48 37.56 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 7.58 1.31 -0.46 -2.13 0.20 -1.25 -1.41 118.68 122.53 1b8t s LEU 36 Ca 0.70 0.01 -0.44 0.00 0.69 0.00 0.00 54.13 55.09 1b8t s LEU 36 Cb 0.06 -0.12 -0.18 0.00 -0.43 0.00 0.00 46.19 45.52 1b8t s LEU 36 CO 0.21 -0.09 1.90 0.00 -0.29 0.00 0.00 176.35 178.08 1b8t n MET 38 N 6.05 0.86 0.00 0.00 1.56 0.30 -0.26 117.12 125.63 1b8t n MET 38 Ca 0.41 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.84 1b8t n MET 38 Cb 0.00 -1.16 0.00 0.00 2.15 0.00 0.00 33.22 34.21 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 -0.29 0.00 0.24 1.12 0.31 -1.26 -4.73 118.33 113.72 1b8t n VAL 39 Ca 0.00 0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.61 1b8t n VAL 39 Cb 0.08 -1.07 0.40 0.00 -0.91 0.00 0.00 33.84 32.34 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 -3.13 -0.15 -3.39 0.00 5.02 0.64 -5.02 118.16 112.13 1b8t n LYS 41 Ca 0.02 0.45 -0.38 0.00 -2.02 0.00 0.00 58.31 56.38 1b8t n LYS 41 Cb 0.44 -4.04 -0.06 0.00 -0.02 0.00 0.00 35.03 31.35 1b8t n LYS 41 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1b8t s LYS 42 N -2.68 4.16 0.44 1.97 -2.85 -1.21 -4.78 119.74 114.79 1b8t s LYS 42 Ca 0.00 0.45 -0.26 0.00 -1.00 0.00 0.00 55.97 55.17 1b8t s LYS 42 Cb 0.00 -3.33 -0.09 0.00 -2.06 0.00 0.00 37.83 32.35 1b8t s LYS 42 CO 0.00 0.42 1.43 -0.80 0.10 0.00 0.00 175.35 176.50 1b8t s ASN 43 N -0.23 5.94 0.22 0.03 -0.87 -1.26 0.36 114.94 119.13 1b8t s ASN 43 Ca 0.25 2.93 0.09 0.00 -1.57 0.00 0.00 52.86 54.56 1b8t s ASN 43 Cb -0.16 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.25 38.37 1b8t s ASN 43 CO 0.12 -1.13 -0.02 -0.76 -2.57 0.00 0.00 177.10 172.74 1b8t s LEU 44 N -2.64 3.19 0.04 0.60 1.43 -0.50 -4.76 118.68 116.04 1b8t s LEU 44 Ca 0.60 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1b8t s LEU 44 Cb -0.44 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1b8t s LEU 44 CO 0.57 0.05 0.00 0.47 0.23 0.00 0.00 176.35 177.67 1b8t n ASP 45 N -0.46 -0.36 -3.93 2.29 9.92 -1.26 -4.81 116.55 117.94 1b8t n ASP 45 Ca -0.08 0.23 -0.26 0.00 -0.53 0.00 0.00 54.79 54.15 1b8t n ASP 45 Cb 0.57 0.55 0.15 0.00 -0.64 0.00 0.00 41.12 41.75 1b8t n ASP 45 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1b8t n SER 46 N -2.49 -2.74 -1.94 -2.24 2.88 -1.26 -4.78 113.62 101.04 1b8t n SER 46 Ca 0.00 -0.25 -0.16 0.00 -1.33 0.00 0.00 58.87 57.13 1b8t n SER 46 Cb 0.00 -0.82 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 1b8t n SER 46 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1b8t n THR 47 N -4.35 2.79 -0.44 2.46 -1.04 -1.26 -3.60 114.28 108.84 1b8t n THR 47 Ca 0.03 -1.72 0.00 0.00 -2.04 0.00 0.00 64.05 60.32 1b8t n THR 47 Cb 0.51 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1b8t n THR 47 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1b8t n THR 48 N 0.61 0.46 -2.32 12.58 -2.24 -1.26 -5.06 114.28 117.04 1b8t n THR 48 Ca 0.30 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 1b8t n THR 48 Cb 0.58 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b8t s VAL 49 N -0.46 4.58 0.12 2.28 0.11 -1.24 -0.43 120.40 125.36 1b8t s VAL 49 Ca 0.00 1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 60.17 1b8t s VAL 49 Cb 0.00 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 1b8t s VAL 49 CO 0.00 -0.77 0.04 0.00 -3.33 0.00 0.00 175.10 171.04 1b8t s ALA 50 N -2.71 0.85 0.45 1.54 0.00 0.17 -4.74 121.76 117.32 1b8t s ALA 50 Ca 0.58 -1.44 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1b8t s ALA 50 Cb -0.10 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 1b8t s ALA 50 CO 0.35 -0.46 0.01 0.08 0.00 0.00 0.00 175.76 175.74 1b8t s VAL 51 N -4.00 1.65 0.23 0.00 1.01 -1.26 -1.22 120.40 116.82 1b8t s VAL 51 Ca 0.21 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.97 1b8t s VAL 51 Cb 0.07 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.84 1b8t s VAL 51 CO 0.00 0.00 0.81 -2.28 0.00 0.00 0.00 175.10 173.63 1b8t s HIS 52 N -2.78 -0.18 -0.95 5.22 2.46 0.26 -4.72 115.29 114.61 1b8t s HIS 52 Ca 0.23 -0.22 -0.32 0.00 0.47 0.00 0.00 55.06 55.22 1b8t s HIS 52 Cb 0.07 0.68 -0.21 0.00 -0.13 0.00 0.00 32.58 32.98 1b8t s HIS 52 CO 0.12 -1.07 2.65 0.41 -2.47 0.00 0.00 174.74 174.37 1b8t n GLY 53 N -0.46 -0.44 4.10 1.59 0.00 -1.26 0.23 105.19 108.95 1b8t n GLY 53 Ca -0.05 1.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.79 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 10.48 -0.83 -3.54 1.61 2.03 -1.26 -4.91 116.55 120.13 1b8t n ASP 54 Ca 0.64 -1.17 -0.09 0.00 0.52 0.00 0.00 54.79 54.69 1b8t n ASP 54 Cb 0.04 -2.25 -0.02 0.00 -0.72 0.00 0.00 41.12 38.17 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1b8t s GLU 55 N -6.99 1.12 -0.08 -0.67 2.02 0.13 -5.16 118.70 109.07 1b8t s GLU 55 Ca 0.12 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1b8t s GLU 55 Cb -0.06 0.48 0.01 0.00 0.10 0.00 0.00 34.13 34.66 1b8t s GLU 55 CO 0.95 -0.50 -0.14 0.96 0.02 0.00 0.00 175.26 176.55 1b8t s ILE 56 N -3.43 1.30 0.06 -1.63 -4.36 -1.26 -0.57 121.20 111.31 1b8t s ILE 56 Ca 0.05 -0.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.90 1b8t s ILE 56 Cb -0.01 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.48 1b8t s ILE 56 CO -0.07 0.40 -0.07 -0.31 0.24 0.00 0.00 174.94 175.12 1b8t s TYR 57 N 0.75 0.74 0.40 1.37 2.02 -0.35 -0.54 117.35 121.73 1b8t s TYR 57 Ca -0.12 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 1b8t s TYR 57 Cb -0.16 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1b8t s TYR 57 CO 0.03 -0.12 0.67 0.00 -1.57 0.00 0.00 175.55 174.55 1b8t n LYS 59 N -1.80 -0.07 -0.04 0.00 5.02 0.43 -0.47 118.16 121.23 1b8t n LYS 59 Ca -0.01 1.05 -0.01 0.00 -2.02 0.00 0.00 58.31 57.31 1b8t n LYS 59 Cb 0.55 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 1b8t n LYS 59 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1b8t n SER 60 N -3.35 -0.09 -0.32 4.39 7.64 -1.26 0.14 113.62 120.77 1b8t n SER 60 Ca 0.00 0.75 -0.03 0.00 1.01 0.00 0.00 58.87 60.61 1b8t n SER 60 Cb 0.04 -0.32 0.03 0.00 -1.01 0.00 0.00 64.21 62.95 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 -0.06 -0.98 0.00 0.00 3.20 0.40 1.03 116.97 120.56 1b8t h TYR 62 Ca 0.31 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1b8t h TYR 62 Cb 0.58 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1b8t h TYR 62 CO -0.80 -0.25 0.00 0.78 -1.64 0.00 0.00 178.16 176.26 1b8t h GLY 63 N -0.14 0.00 0.32 1.82 0.00 1.00 0.29 103.07 106.36 1b8t h GLY 63 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1b8t h GLY 63 CO -0.40 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 177.80 1b8t h LYS 64 N 0.00 -0.11 0.12 4.80 3.64 0.51 0.39 116.57 125.93 1b8t h LYS 64 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1b8t h LYS 64 Cb 0.01 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1b8t h LYS 64 CO 0.00 0.44 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.34 1b8t h LYS 65 N -0.79 -0.16 -0.91 1.90 3.11 0.05 -3.29 116.57 116.48 1b8t h LYS 65 Ca -0.01 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1b8t h LYS 65 Cb 0.59 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.82 1b8t h LYS 65 CO 0.02 0.32 0.51 1.88 -2.81 0.00 0.00 179.45 179.36 1b8t h TYR 66 N -0.85 1.24 0.00 1.91 0.05 -0.61 -3.42 116.97 115.29 1b8t h TYR 66 Ca -0.02 -0.02 -0.42 0.00 0.05 0.00 0.00 58.73 58.31 1b8t h TYR 66 Cb 0.55 -0.40 -0.08 0.00 1.01 0.00 0.00 36.73 37.81 1b8t h TYR 66 CO 0.10 0.85 1.60 0.41 -1.05 0.00 0.00 178.16 180.07 1b8t n GLY 67 N -1.15 -0.44 3.70 3.88 0.00 0.14 -4.86 105.19 106.46 1b8t n GLY 67 Ca 0.10 0.87 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 1b8t n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8t n PRO 68 N 7.14 -2.20 -4.12 1.61 -0.04 -1.26 -4.94 135.00 131.18 1b8t n PRO 68 Ca 0.59 -1.91 -0.11 0.00 -0.04 0.00 0.00 63.50 62.03 1b8t n PRO 68 Cb 0.04 -1.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 1b8t n PRO 68 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1b8t s LYS 69 N -5.71 1.22 0.00 0.54 2.36 -1.26 -5.17 119.74 111.71 1b8t s LYS 69 Ca 0.74 -1.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.68 1b8t s LYS 69 Cb -0.04 0.32 0.00 0.00 -1.05 0.00 0.00 37.83 37.05 1b8t s LYS 69 CO 0.54 -0.42 0.00 0.41 1.55 0.00 0.00 175.35 177.42 1b8t n GLY 70 N -0.26 0.06 3.87 5.54 0.00 -1.26 -5.19 105.19 107.95 1b8t n GLY 70 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 0.56 0.00 1.61 -2.85 -1.26 -5.19 119.74 110.61 1b8t s LYS 71 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 1b8t s LYS 71 Cb 0.00 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 1b8t s LYS 71 CO 0.00 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 175.60 1b8t n GLY 72 N -0.75 0.91 3.86 0.59 0.00 -1.26 -5.19 105.19 103.35 1b8t n GLY 72 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.48 -0.06 1.61 0.00 -1.26 -5.19 119.74 113.31 1b8t s LYS 73 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 55.97 55.37 1b8t s LYS 73 Cb 0.00 0.14 0.12 0.00 0.00 0.00 0.00 37.83 38.09 1b8t s LYS 73 CO 0.00 -0.22 1.36 0.20 0.00 0.00 0.00 175.35 176.69 1b8t s GLY 74 N -3.49 -0.30 -0.09 0.59 0.00 -1.26 -5.19 107.32 97.57 1b8t s GLY 74 Ca 0.24 0.42 -0.33 0.00 0.00 0.00 0.00 44.72 45.05 1b8t s GLY 74 CO -0.01 3.81 1.43 1.06 0.00 0.00 0.00 173.10 179.39 1b8t s MET 75 N -2.07 0.04 0.06 2.90 -1.94 -1.26 -5.19 119.30 111.83 1b8t s MET 75 Ca 0.24 -0.02 -0.26 0.00 -1.71 0.00 0.00 55.69 53.94 1b8t s MET 75 Cb 0.03 0.01 0.09 0.00 2.01 0.00 0.00 34.83 36.97 1b8t s MET 75 CO -0.04 -0.02 1.19 0.20 -0.01 0.00 0.00 175.02 176.35 1b8t s GLY 76 N -3.03 -0.08 -0.03 -0.03 0.00 -1.26 -5.19 107.32 97.69 1b8t s GLY 76 Ca 0.15 -0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 1b8t s GLY 76 CO -0.07 3.68 1.31 0.00 0.00 0.00 0.00 173.10 178.03 1b8t s ALA 77 N -2.16 -2.44 -0.02 3.20 0.00 -1.26 -5.19 121.76 113.88 1b8t s ALA 77 Ca 0.24 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 1b8t s ALA 77 Cb -0.01 0.68 0.12 0.00 0.00 0.00 0.00 23.12 23.91 1b8t s ALA 77 CO 0.01 -1.12 1.28 0.20 0.00 0.00 0.00 175.76 176.13 1b8t s GLY 78 N -3.51 -0.41 -0.23 0.00 0.00 -1.26 -5.18 107.32 96.73 1b8t s GLY 78 Ca 0.24 0.73 -0.28 0.00 0.00 0.00 0.00 44.72 45.41 1b8t s GLY 78 CO -0.02 0.14 1.15 -1.08 0.00 0.00 0.00 173.10 173.28 1b8t s THR 79 N -2.44 0.00 -0.12 0.90 -1.32 -1.26 -5.18 115.64 106.22 1b8t s THR 79 Ca 0.14 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 1b8t s THR 79 Cb 0.04 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.16 1b8t s THR 79 CO -0.04 0.00 0.97 -0.22 -2.21 0.00 0.00 174.62 173.12 1b8t s LEU 80 N -0.71 -0.37 -0.24 9.08 2.96 -1.26 -5.19 118.68 122.96 1b8t s LEU 80 Ca 0.03 0.31 -0.37 0.00 -0.22 0.00 0.00 54.13 53.87 1b8t s LEU 80 Cb -0.02 1.90 0.15 0.00 0.50 0.00 0.00 46.19 48.72 1b8t s LEU 80 CO -0.04 -0.41 1.38 -0.55 -1.32 0.00 0.00 176.35 175.41 1b8t s SER 81 N -1.46 -0.02 -0.04 3.68 0.15 -1.26 -5.19 113.70 109.56 1b8t s SER 81 Ca -0.00 -0.01 -0.31 0.00 0.70 0.00 0.00 55.95 56.34 1b8t s SER 81 Cb -0.01 0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.44 1b8t s SER 81 CO -0.01 -0.04 1.13 0.28 1.20 0.00 0.00 173.24 175.80 1b8t s THR 82 N -2.07 0.00 0.00 6.45 -1.32 -1.26 -5.19 115.64 112.25 1b8t s THR 82 Ca 0.12 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1b8t s THR 82 Cb 0.01 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.50 1b8t s THR 82 CO -0.03 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.71 1b8t n ASP 83 N -0.32 0.00 -3.59 8.08 -0.08 -1.26 -5.19 116.55 114.19 1b8t n ASP 83 Ca -0.05 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.22 1b8t n ASP 83 Cb 0.61 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.07 1b8t n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1b8t s LYS 84 N -2.00 0.89 0.00 -0.67 -0.14 -1.26 -5.19 119.74 111.38 1b8t s LYS 84 Ca 0.00 -0.55 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 1b8t s LYS 84 Cb 0.00 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 36.42 1b8t s LYS 84 CO 0.00 -0.42 0.00 0.41 -0.76 0.00 0.00 175.35 174.58 1b8t n GLY 85 N -0.66 3.96 0.00 -3.33 0.00 -1.26 -5.19 105.19 98.71 1b8t n GLY 85 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.41 0.00 -3.58 1.61 -0.58 -1.26 -5.19 120.64 110.22 1b8t n GLU 86 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1b8t n GLU 86 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1b8t n GLU 86 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1b8t s SER 87 N 0.00 -0.03 -0.00 1.62 1.04 -1.26 -5.19 113.70 109.88 1b8t s SER 87 Ca 0.00 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 1b8t s SER 87 Cb 0.00 0.08 0.11 0.00 0.10 0.00 0.00 66.02 66.30 1b8t s SER 87 CO 0.00 -0.14 1.27 -0.22 0.98 0.00 0.00 173.24 175.13 1b8t s LEU 88 N -2.96 -0.02 0.00 2.42 2.96 -1.26 -5.19 118.68 114.62 1b8t s LEU 88 Ca 0.14 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1b8t s LEU 88 Cb 0.06 1.39 0.00 0.00 0.50 0.00 0.00 46.19 48.15 1b8t s LEU 88 CO -0.05 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 1b8t n GLY 89 N -0.70 2.36 3.71 7.98 0.00 -1.26 -5.19 105.19 112.08 1b8t n GLY 89 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 0.00 0.00 -0.61 2.07 -1.26 -5.19 121.20 114.21 1b8t s ILE 90 Ca 0.00 -0.33 -0.29 0.00 -1.41 0.00 0.00 60.65 58.62 1b8t s ILE 90 Cb 0.00 -2.17 0.10 0.00 0.13 0.00 0.00 42.46 40.52 1b8t s ILE 90 CO 0.00 0.00 1.26 -0.75 -1.91 0.00 0.00 174.94 173.54 1b8t s LYS 91 N -2.53 0.49 -0.04 3.50 2.20 -1.26 -5.19 119.74 116.90 1b8t s LYS 91 Ca 0.16 -0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 1b8t s LYS 91 Cb 0.03 0.15 0.12 0.00 -1.51 0.00 0.00 37.83 36.61 1b8t s LYS 91 CO -0.02 -0.23 1.22 -0.47 -0.36 0.00 0.00 175.35 175.49 1b8t s TYR 92 N -2.24 -0.09 -0.08 4.03 6.14 -1.26 -5.19 117.35 118.67 1b8t s TYR 92 Ca 0.22 -0.02 -0.32 0.00 0.64 0.00 0.00 57.07 57.58 1b8t s TYR 92 Cb 0.02 0.55 0.14 0.00 0.42 0.00 0.00 41.96 43.08 1b8t s TYR 92 CO -0.02 -0.32 1.40 -1.83 0.64 0.00 0.00 175.55 175.42 1b8t s GLU 93 N -2.54 0.11 -0.07 4.97 -1.05 -1.26 -5.19 118.70 113.67 1b8t s GLU 93 Ca 0.12 -0.06 -0.32 0.00 -0.15 0.00 0.00 54.97 54.56 1b8t s GLU 93 Cb 0.02 0.04 0.13 0.00 -0.44 0.00 0.00 34.13 33.88 1b8t s GLU 93 CO -0.04 -0.05 1.39 -1.83 0.95 0.00 0.00 175.26 175.68 1b8t s GLU 94 N -2.10 0.14 -0.03 -4.83 -1.05 -1.26 -5.19 118.70 104.38 1b8t s GLU 94 Ca 0.17 -0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.61 1b8t s GLU 94 Cb 0.06 0.05 0.12 0.00 -0.44 0.00 0.00 34.13 33.91 1b8t s GLU 94 CO -0.06 -0.06 1.32 0.20 0.95 0.00 0.00 175.26 177.61 1b8t s GLY 95 N -3.11 -0.32 0.00 -3.83 0.00 -1.26 -5.19 107.32 93.61 1b8t s GLY 95 Ca 0.17 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1b8t s GLY 95 CO -0.05 2.45 0.00 -0.18 0.00 0.00 0.00 173.10 175.32 1b8t n GLN 96 N -0.67 0.00 -3.61 2.90 0.00 -1.26 -5.19 117.38 109.56 1b8t n GLN 96 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 56.98 1b8t n GLN 96 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.85 1b8t n GLN 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1b8t s SER 97 N 0.00 -0.05 -0.07 1.69 1.04 -1.26 -5.19 113.70 109.86 1b8t s SER 97 Ca 0.00 -0.11 -0.31 0.00 0.48 0.00 0.00 55.95 56.01 1b8t s SER 97 Cb 0.00 0.13 0.12 0.00 0.10 0.00 0.00 66.02 66.37 1b8t s SER 97 CO 0.00 -0.24 1.38 -2.28 0.98 0.00 0.00 173.24 173.08 1b8t s HIS 98 N -2.34 -0.00 -0.05 5.02 2.46 -1.26 -5.18 115.29 113.93 1b8t s HIS 98 Ca 0.14 -0.03 -0.21 0.00 0.47 0.00 0.00 55.06 55.43 1b8t s HIS 98 Cb 0.05 0.52 0.04 0.00 -0.13 0.00 0.00 32.58 33.07 1b8t s HIS 98 CO -0.04 -0.09 0.47 -0.98 -2.47 0.00 0.00 174.74 171.62 1b8t s ARG 99 N -2.08 0.81 1.10 2.88 1.70 -1.26 -5.17 118.95 116.93 1b8t s ARG 99 Ca 0.22 0.08 -0.19 0.00 -0.47 0.00 0.00 55.73 55.37 1b8t s ARG 99 Cb 0.04 0.37 0.26 0.00 -0.57 0.00 0.00 34.95 35.06 1b8t s ARG 99 CO -0.04 -0.23 1.21 -0.35 -1.08 0.00 0.00 175.30 174.81 1b8t n PRO 100 N 1.30 -2.22 -3.54 3.89 -0.04 -1.26 -5.10 135.00 128.03 1b8t n PRO 100 Ca -0.20 -1.90 -0.07 0.00 -0.04 0.00 0.00 63.50 61.29 1b8t n PRO 100 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1b8t n PRO 100 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1b8t s THR 101 N -3.45 0.00 -0.29 0.52 -1.32 -1.26 -5.14 115.64 104.70 1b8t s THR 101 Ca 0.73 -0.06 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 1b8t s THR 101 Cb -0.04 -1.11 0.20 0.00 -1.51 0.00 0.00 72.50 70.03 1b8t s THR 101 CO 0.54 0.00 0.70 0.21 -2.21 0.00 0.00 174.62 173.85 1b8t s ASN 102 N -2.49 -1.35 1.12 8.08 2.47 -1.26 -5.17 114.94 116.34 1b8t s ASN 102 Ca 0.06 0.14 -0.18 0.00 0.42 0.00 0.00 52.86 53.31 1b8t s ASN 102 Cb -0.01 1.86 0.26 0.00 -1.45 0.00 0.00 41.25 41.90 1b8t s ASN 102 CO -0.07 -0.25 1.18 -0.81 -3.72 0.00 0.00 177.10 173.43 1b8t n PRO 103 N 5.33 -2.17 -3.82 0.43 -0.04 -1.26 -5.10 135.00 128.36 1b8t n PRO 103 Ca 0.06 -1.86 -0.09 0.00 -0.04 0.00 0.00 63.50 61.58 1b8t n PRO 103 Cb 0.55 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1b8t n PRO 103 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1b8t s ASN 104 N -5.07 -0.25 -0.04 3.54 -0.87 -1.26 -5.18 114.94 105.80 1b8t s ASN 104 Ca 0.71 -0.59 -0.31 0.00 -1.57 0.00 0.00 52.86 51.11 1b8t s ASN 104 Cb -0.04 0.65 0.13 0.00 -0.02 0.00 0.00 41.25 41.97 1b8t s ASN 104 CO 0.52 -1.20 1.34 0.00 -2.57 0.00 0.00 177.10 175.19 1b8t s ALA 105 N -3.91 -2.35 -0.08 0.60 0.00 -1.26 -5.19 121.76 109.57 1b8t s ALA 105 Ca 0.12 0.71 -0.32 0.00 0.00 0.00 0.00 51.96 52.47 1b8t s ALA 105 Cb -0.03 0.37 0.14 0.00 0.00 0.00 0.00 23.12 23.60 1b8t s ALA 105 CO 0.03 -1.07 1.41 -1.54 0.00 0.00 0.00 175.76 174.59 1b8t s SER 106 N -3.07 -0.01 0.00 0.00 1.04 -1.26 -5.19 113.70 105.20 1b8t s SER 106 Ca 0.16 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1b8t s SER 106 Cb 0.05 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1b8t s SER 106 CO -0.05 -0.08 0.00 -1.14 0.98 0.00 0.00 173.24 172.96 1b8t n ARG 107 N -0.52 0.00 -3.82 4.02 3.00 -1.26 -5.19 116.66 112.89 1b8t n ARG 107 Ca -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.70 1b8t n ARG 107 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.08 1b8t n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b8t s MET 108 N -2.00 1.59 0.33 -0.14 0.23 -1.26 -5.19 119.30 112.86 1b8t s MET 108 Ca 0.00 -0.89 -0.11 0.00 -1.03 0.00 0.00 55.69 53.67 1b8t s MET 108 Cb 0.00 0.53 0.02 0.00 -1.53 0.00 0.00 34.83 33.85 1b8t s MET 108 CO 0.00 -0.73 0.59 0.00 -2.03 0.00 0.00 175.02 172.86 1b8t s ALA 109 N -3.59 -0.12 0.17 3.16 0.00 -1.26 -5.19 121.76 114.93 1b8t s ALA 109 Ca 0.12 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 1b8t s ALA 109 Cb -0.04 0.96 0.06 0.00 0.00 0.00 0.00 23.12 24.10 1b8t s ALA 109 CO 0.05 -0.89 0.95 -1.14 0.00 0.00 0.00 175.76 174.74 1b8t s GLN 110 N -3.14 1.28 0.14 0.00 0.74 -1.26 -5.19 119.66 112.24 1b8t s GLN 110 Ca 0.22 -0.73 -0.06 0.00 0.05 0.00 0.00 55.36 54.84 1b8t s GLN 110 Cb -0.02 0.42 -0.02 0.00 1.10 0.00 0.00 33.01 34.49 1b8t s GLN 110 CO 0.14 -0.59 0.18 0.15 -0.55 0.00 0.00 175.29 174.62 1b8t s LYS 111 N -3.16 1.03 -0.11 1.67 1.02 -1.26 -5.17 119.74 113.76 1b8t s LYS 111 Ca 0.13 -1.25 -0.09 0.00 0.02 0.00 0.00 55.97 54.78 1b8t s LYS 111 Cb -0.02 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1b8t s LYS 111 CO 0.03 -0.34 0.28 0.08 -0.92 0.00 0.00 175.35 174.49 1b8t s VAL 112 N -3.98 -0.01 0.20 3.17 1.01 -1.26 -5.16 120.40 114.37 1b8t s VAL 112 Ca 0.18 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1b8t s VAL 112 Cb 0.05 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.07 1b8t s VAL 112 CO -0.01 0.01 0.74 -0.83 0.00 0.00 0.00 175.10 175.01 1b8t s GLY 113 N 0.38 -0.29 0.00 4.51 0.00 -1.26 -5.18 107.32 105.48 1b8t s GLY 113 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1b8t s GLY 113 CO -0.02 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1b8t n GLY 114 N -0.42 -0.57 1.16 0.20 0.00 -1.26 -5.16 105.19 99.13 1b8t n GLY 114 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1b8t n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b8t n SER 115 N 0.00 -6.53 0.00 1.61 7.64 -1.26 -5.11 113.62 109.97 1b8t n SER 115 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1b8t n SER 115 Cb 0.00 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1b8t n SER 115 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1b8t n ASP 116 N -0.79 0.00 -4.48 6.43 -0.08 -0.58 -5.05 116.55 112.00 1b8t n ASP 116 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 1b8t n ASP 116 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 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 -0.22 2.23 -0.43 0.27 0.00 -1.26 -0.25 107.32 107.66 1b8t s GLY 117 Ca 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 44.72 42.55 1b8t s GLY 117 CO 0.00 -1.89 0.33 0.00 0.00 0.00 0.00 173.10 171.54 1b8t n PRO 119 N 5.17 0.75 -0.00 0.00 -0.04 -1.25 0.23 135.00 139.86 1b8t n PRO 119 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1b8t n PRO 119 Cb 0.46 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.99 0.01 0.08 0.54 3.00 -1.26 -4.62 116.66 113.42 1b8t n ARG 120 Ca 0.18 0.18 -0.11 0.00 -0.00 0.00 0.00 57.85 58.09 1b8t n ARG 120 Cb 0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 32.46 31.79 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 1.09 1.17 3.47 0.00 0.00 0.14 -5.08 105.19 105.98 1b8t n GLY 122 Ca -0.05 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.77 2.96 0.49 1.61 -0.21 -1.15 -4.83 119.66 117.77 1b8t s GLN 123 Ca 0.00 -0.63 -0.22 0.00 0.02 0.00 0.00 55.36 54.52 1b8t s GLN 123 Cb 0.00 -2.57 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 1b8t s GLN 123 CO 0.00 0.47 0.98 0.00 -2.12 0.00 0.00 175.29 174.62 1b8t n ALA 124 N 2.79 0.17 -3.59 6.09 0.00 -1.26 -0.29 120.51 124.41 1b8t n ALA 124 Ca -0.18 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 1b8t n ALA 124 Cb 0.53 -2.08 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 1b8t n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1b8t s VAL 125 N -1.38 0.66 0.13 0.00 1.01 0.66 -4.69 120.40 116.78 1b8t s VAL 125 Ca 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1b8t s VAL 125 Cb -0.50 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1b8t s VAL 125 CO 0.54 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.89 1b8t n TYR 126 N 3.98 -2.93 -0.52 5.22 9.36 -1.26 -1.52 117.16 129.50 1b8t n TYR 126 Ca -0.25 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1b8t n TYR 126 Cb 0.51 1.42 0.00 0.00 -0.63 0.00 0.00 39.34 40.64 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 -2.73 0.00 -1.30 2.98 0.00 -1.26 -4.80 120.51 113.41 1b8t n ALA 127 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1b8t n ALA 127 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.00 -2.91 -2.26 0.00 0.00 -1.26 -3.45 120.51 107.63 1b8t n ALA 128 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1b8t n ALA 128 Cb 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.00 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 1.32 -1.35 -3.80 0.00 4.07 -1.26 -5.04 120.64 114.58 1b8t n GLU 129 Ca 0.10 0.31 -0.30 0.00 -0.06 0.00 0.00 57.16 57.21 1b8t n GLU 129 Cb 0.42 -3.28 -0.15 0.00 -0.06 0.00 0.00 31.44 28.37 1b8t n GLU 129 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1b8t s LYS 130 N -3.84 0.90 0.16 5.31 2.20 -1.22 -3.91 119.74 119.34 1b8t s LYS 130 Ca 0.11 -1.19 -0.08 0.00 -0.36 0.00 0.00 55.97 54.45 1b8t s LYS 130 Cb -0.01 -2.25 -0.06 0.00 -1.51 0.00 0.00 37.83 33.99 1b8t s LYS 130 CO 0.26 -0.94 0.46 0.54 -0.36 0.00 0.00 175.35 175.31 1b8t s VAL 131 N 1.48 5.05 -0.17 4.02 0.11 0.11 -4.85 120.40 126.14 1b8t s VAL 131 Ca 0.09 0.33 -0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1b8t s VAL 131 Cb -0.18 -3.63 0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1b8t s VAL 131 CO -0.20 0.06 -0.07 -0.63 -3.33 0.00 0.00 175.10 170.93 1b8t s ILE 132 N -1.65 1.31 -0.01 7.04 1.09 -1.26 -1.24 121.20 126.47 1b8t s ILE 132 Ca 0.42 -0.75 -0.10 0.00 -1.10 0.00 0.00 60.65 59.11 1b8t s ILE 132 Cb -0.12 -1.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.86 1b8t s ILE 132 CO 0.22 0.16 0.22 -0.83 -0.10 0.00 0.00 174.94 174.61 1b8t s GLY 133 N 1.55 -0.06 -1.26 6.18 0.00 0.70 -4.91 107.32 109.52 1b8t s GLY 133 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.67 1b8t s GLY 133 CO -0.08 -0.02 0.61 0.00 0.00 0.00 0.00 173.10 173.60 1b8t n ALA 134 N 1.54 -2.41 -4.46 3.20 0.00 -1.26 0.25 120.51 117.37 1b8t n ALA 134 Ca -0.21 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 1b8t n ALA 134 Cb 0.56 -2.80 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 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 -1.97 -0.35 3.23 0.00 0.00 -1.26 -4.48 105.19 100.36 1b8t n GLY 135 Ca -0.16 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.22 0.93 0.00 1.61 1.02 0.14 -5.05 119.74 111.17 1b8t s LYS 136 Ca 0.66 -1.09 0.08 0.00 0.02 0.00 0.00 55.97 55.64 1b8t s LYS 136 Cb -0.38 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1b8t s LYS 136 CO 1.01 -0.30 -0.25 0.45 -0.92 0.00 0.00 175.35 175.34 1b8t s SER 137 N -2.91 2.94 0.27 2.83 0.15 -1.26 -0.21 113.70 115.50 1b8t s SER 137 Ca 0.10 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.05 1b8t s SER 137 Cb 0.05 -0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1b8t s SER 137 CO -0.07 0.28 0.78 -1.66 1.20 0.00 0.00 173.24 173.77 1b8t s TRP 138 N -0.65 -0.14 0.08 3.44 -2.14 -0.37 -3.85 118.94 115.29 1b8t s TRP 138 Ca 0.10 -0.31 -0.31 0.00 2.66 0.00 0.00 56.10 58.24 1b8t s TRP 138 Cb -0.10 0.71 -0.07 0.00 -3.10 0.00 0.00 33.47 30.91 1b8t s TRP 138 CO 0.00 -1.19 1.42 -1.01 -2.66 0.00 0.00 176.95 173.51 1b8t s HIS 139 N -3.61 3.04 -0.58 1.66 3.76 -1.26 0.08 115.29 118.38 1b8t s HIS 139 Ca 0.12 0.84 -0.25 0.00 -0.15 0.00 0.00 55.06 55.62 1b8t s HIS 139 Cb -0.05 -3.71 -0.22 0.00 1.11 0.00 0.00 32.58 29.71 1b8t s HIS 139 CO 0.07 -2.57 1.83 1.17 -0.85 0.00 0.00 174.74 174.39 1b8t n LYS 140 N 4.56 1.03 0.00 1.40 0.00 -1.25 -2.08 118.16 121.82 1b8t n LYS 140 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 58.31 56.80 1b8t n LYS 140 Cb 0.42 -2.87 0.00 0.00 0.00 0.00 0.00 35.03 32.59 1b8t n LYS 140 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1b8t n SER 141 N 8.66 0.00 0.27 3.14 3.41 -1.26 -4.93 113.62 122.91 1b8t n SER 141 Ca 0.48 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 1b8t n SER 141 Cb 0.41 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.11 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b8t n PHE 143 N -4.15 0.41 -4.31 0.00 -0.00 -1.12 -4.73 117.46 103.56 1b8t n PHE 143 Ca -0.03 0.28 -0.35 0.00 -0.00 0.00 0.00 57.45 57.35 1b8t n PHE 143 Cb 0.12 -1.77 -0.10 0.00 -0.00 0.00 0.00 39.48 37.73 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 7.08 3.24 0.14 -4.13 0.52 -1.26 -0.69 118.95 123.84 1b8t s ARG 144 Ca 1.09 -0.41 -0.31 0.00 -0.52 0.00 0.00 55.73 55.58 1b8t s ARG 144 Cb -0.98 -2.88 -0.10 0.00 0.52 0.00 0.00 34.95 31.51 1b8t s ARG 144 CO 0.40 0.58 1.59 0.00 0.02 0.00 0.00 175.30 177.89 1b8t n ALA 146 N 4.39 4.50 0.00 0.00 0.00 -0.57 -0.27 120.51 128.56 1b8t n ALA 146 Ca 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1b8t n ALA 146 Cb 0.39 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.08 0.00 -0.00 0.00 3.00 -1.26 -4.86 118.16 115.12 1b8t n LYS 147 Ca 0.28 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.64 1b8t n LYS 147 Cb 0.80 -0.28 -0.08 0.00 0.00 0.00 0.00 35.03 35.47 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 1.69 0.72 3.74 0.00 0.00 0.63 -4.99 105.19 106.98 1b8t n GLY 149 Ca -0.01 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.91 4.45 -0.04 1.61 -0.14 -1.25 -4.69 119.74 117.77 1b8t s LYS 150 Ca 0.00 0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 55.28 1b8t s LYS 150 Cb 0.00 -3.38 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 1b8t s LYS 150 CO 0.00 0.24 1.58 0.45 -0.76 0.00 0.00 175.35 176.86 1b8t s SER 151 N 0.14 6.72 0.64 2.83 0.15 -1.26 -1.47 113.70 121.44 1b8t s SER 151 Ca 0.37 2.20 -0.02 0.00 0.70 0.00 0.00 55.95 59.20 1b8t s SER 151 Cb -0.19 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1b8t s SER 151 CO 0.21 -0.87 0.37 0.18 1.20 0.00 0.00 173.24 174.33 1b8t n LEU 152 N 6.60 0.00 0.00 3.45 4.77 0.13 -4.95 117.00 126.99 1b8t n LEU 152 Ca 0.16 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1b8t n LEU 152 Cb 0.43 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1b8t n LEU 152 CO 0.61 -0.71 0.00 1.21 -1.33 0.00 0.00 177.39 177.17 1b8t n GLU 153 N -1.72 0.00 -2.90 3.23 0.00 -1.26 -4.74 120.64 113.25 1b8t n GLU 153 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.10 1b8t n GLU 153 Cb 0.20 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.70 1b8t n GLU 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1b8t n SER 154 N 0.00 -3.18 -2.95 4.31 7.64 -1.26 -4.98 113.62 113.20 1b8t n SER 154 Ca 0.00 -0.45 -0.19 0.00 1.01 0.00 0.00 58.87 59.23 1b8t n SER 154 Cb 0.00 -3.75 -0.02 0.00 -1.01 0.00 0.00 64.21 59.43 1b8t n SER 154 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1b8t n THR 155 N -3.01 1.13 -2.95 0.44 -1.04 -1.26 -5.02 114.28 102.58 1b8t n THR 155 Ca -0.15 -4.57 -0.00 0.00 -2.04 0.00 0.00 64.05 57.29 1b8t n THR 155 Cb 0.61 -0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1b8t n THR 155 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1b8t n THR 156 N 0.00 -6.77 -3.68 12.58 -1.04 -1.26 -4.17 114.28 109.94 1b8t n THR 156 Ca 0.25 1.18 -0.36 0.00 -2.04 0.00 0.00 64.05 63.08 1b8t n THR 156 Cb 0.63 -4.80 -0.09 0.00 -1.82 0.00 0.00 70.33 64.25 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 -1.14 4.17 0.43 -4.42 0.05 -1.26 -0.62 118.68 115.89 1b8t s LEU 157 Ca -0.02 0.20 -0.13 0.00 0.05 0.00 0.00 54.13 54.23 1b8t s LEU 157 Cb 0.00 -2.12 -0.07 0.00 -2.05 0.00 0.00 46.19 41.95 1b8t s LEU 157 CO 0.37 0.12 0.82 0.00 -0.55 0.00 0.00 176.35 177.12 1b8t s ALA 158 N 0.68 3.27 -0.36 1.48 0.00 0.11 -4.88 121.76 122.05 1b8t s ALA 158 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1b8t s ALA 158 Cb -0.12 -2.82 0.12 0.00 0.00 0.00 0.00 23.12 20.29 1b8t s ALA 158 CO 0.01 -0.03 0.16 0.16 0.00 0.00 0.00 175.76 176.06 1b8t s ASP 159 N -3.04 3.83 -0.60 0.00 -4.77 -1.26 -1.18 116.67 109.66 1b8t s ASP 159 Ca 0.54 -2.08 -0.18 0.00 -3.30 0.00 0.00 52.55 47.53 1b8t s ASP 159 Cb -0.10 -0.92 0.11 0.00 -1.09 0.00 0.00 42.92 40.92 1b8t s ASP 159 CO 0.30 -0.35 0.68 -0.75 0.70 0.00 0.00 175.17 175.75 1b8t s LYS 160 N 1.07 3.06 -0.75 2.11 2.20 0.15 -4.61 119.74 122.96 1b8t s LYS 160 Ca 0.13 -1.42 -0.02 0.00 -0.36 0.00 0.00 55.97 54.30 1b8t s LYS 160 Cb -0.21 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1b8t s LYS 160 CO -0.13 -1.51 0.56 -0.25 -0.36 0.00 0.00 175.35 173.66 1b8t n ASP 161 N 6.11 -4.48 0.00 1.43 8.00 -1.26 0.22 116.55 126.58 1b8t n ASP 161 Ca -0.09 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1b8t n ASP 161 Cb 0.42 -1.48 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 -1.49 1.75 3.57 0.44 0.00 -1.26 -4.97 105.19 103.24 1b8t n GLY 162 Ca -0.29 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 0.83 -4.74 1.61 -0.58 0.13 -4.77 120.64 113.13 1b8t n GLU 163 Ca 0.00 0.32 -0.25 0.00 -0.42 0.00 0.00 57.16 56.81 1b8t n GLU 163 Cb 0.00 -2.02 -0.16 0.00 -0.57 0.00 0.00 31.44 28.69 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 -1.55 1.30 0.25 -3.67 -4.36 -1.26 0.30 121.20 112.21 1b8t s ILE 164 Ca 0.72 -0.63 0.03 0.00 -0.26 0.00 0.00 60.65 60.51 1b8t s ILE 164 Cb -0.44 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 1b8t s ILE 164 CO 0.50 0.38 0.26 -1.22 0.24 0.00 0.00 174.94 175.10 1b8t n TYR 165 N 3.25 -0.81 -3.72 1.37 4.01 -0.33 -1.51 117.16 119.43 1b8t n TYR 165 Ca -0.19 -1.90 -0.35 0.00 -0.16 0.00 0.00 57.90 55.30 1b8t n TYR 165 Cb 0.53 0.29 -0.05 0.00 -0.31 0.00 0.00 39.34 39.79 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 4.04 0.38 -0.30 0.00 2.10 -1.03 1.65 116.57 123.41 1b8t h LYS 167 Ca -0.50 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.18 1b8t h LYS 167 Cb 1.20 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1b8t h LYS 167 CO 0.65 0.25 0.21 0.78 -2.00 0.00 0.00 179.45 179.34 1b8t h GLY 168 N 0.39 0.21 0.27 0.07 0.00 -1.89 0.42 103.07 102.54 1b8t h GLY 168 Ca 0.68 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.86 1b8t h GLY 168 CO -0.57 0.05 -0.37 0.00 0.00 0.00 0.00 176.54 175.65 1b8t h TYR 170 N -0.75 0.32 0.00 0.00 3.20 -0.14 0.46 116.97 120.07 1b8t h TYR 170 Ca -0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1b8t h TYR 170 Cb 1.27 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1b8t h TYR 170 CO 0.24 0.17 -0.00 0.00 -1.64 0.00 0.00 178.16 176.93 1b8t h ALA 171 N 1.77 0.00 -0.21 1.82 0.00 -0.24 -3.20 119.26 119.20 1b8t h ALA 171 Ca 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1b8t h ALA 171 Cb 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1b8t h ALA 171 CO -0.04 0.00 -0.45 0.87 0.00 0.00 0.00 179.25 179.63 1b8t h LYS 172 N -0.61 -0.39 -1.04 0.00 1.57 -1.07 0.54 116.57 115.57 1b8t h LYS 172 Ca 0.00 0.03 0.41 0.00 -1.87 0.00 0.00 60.65 59.22 1b8t h LYS 172 Cb 0.00 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.24 1b8t h LYS 172 CO 0.00 -0.26 0.60 -1.71 -0.57 0.00 0.00 179.45 177.51 1b8t n ASN 173 N -4.87 0.29 -2.90 0.86 2.85 0.16 0.15 115.26 111.81 1b8t n ASN 173 Ca -0.04 1.49 -0.25 0.00 -0.11 0.00 0.00 54.58 55.67 1b8t n ASN 173 Cb 0.29 -0.73 -0.03 0.00 1.24 0.00 0.00 39.78 40.56 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1b8t n PHE 174 N -4.97 3.28 -2.22 1.20 3.72 0.15 -5.04 117.46 113.58 1b8t n PHE 174 Ca 0.36 -3.80 0.00 0.00 -0.05 0.00 0.00 57.45 53.97 1b8t n PHE 174 Cb 1.29 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 -0.20 0.84 2.47 1.37 0.00 0.12 -4.80 105.19 104.99 1b8t n GLY 175 Ca 0.31 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 1b8t n GLY 175 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8t n PRO 176 N -0.93 2.73 -2.72 1.61 -0.04 -1.26 -4.08 135.00 130.30 1b8t n PRO 176 Ca 0.00 -1.73 -0.07 0.00 -0.04 0.00 0.00 63.50 61.66 1b8t n PRO 176 Cb 0.00 -2.57 0.08 0.00 -0.04 0.00 0.00 33.50 30.97 1b8t n PRO 176 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1b8t n LYS 177 N 3.87 0.68 0.00 0.54 3.00 -1.26 -5.09 118.16 119.90 1b8t n LYS 177 Ca 0.58 -1.50 0.00 0.00 -0.00 0.00 0.00 58.31 57.39 1b8t n LYS 177 Cb 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1b8t n LYS 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b8t n GLY 178 N 1.05 2.73 2.63 3.14 0.00 -1.26 -5.05 105.19 108.43 1b8t n GLY 178 Ca 0.05 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1b8t n GLY 178 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b8t s PHE 179 N 0.00 0.12 0.00 1.61 2.19 -1.26 -4.88 117.98 115.75 1b8t s PHE 179 Ca 0.00 -1.03 0.00 0.00 0.33 0.00 0.00 56.93 56.23 1b8t s PHE 179 Cb 0.00 -0.65 0.00 0.00 -1.31 0.00 0.00 43.02 41.06 1b8t s PHE 179 CO 0.00 -0.90 0.00 0.41 1.83 0.00 0.00 175.22 176.56 1b8t n GLY 180 N 4.44 0.72 3.10 13.12 0.00 -1.26 -5.16 105.19 120.14 1b8t n GLY 180 Ca 0.08 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.32 1b8t n GLY 180 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b8t s PHE 181 N 0.00 -1.45 -0.29 1.61 2.19 -1.26 -5.15 117.98 113.64 1b8t s PHE 181 Ca 0.00 1.49 -0.26 0.00 0.33 0.00 0.00 56.93 58.48 1b8t s PHE 181 Cb 0.00 0.43 0.18 0.00 -1.31 0.00 0.00 43.02 42.33 1b8t s PHE 181 CO 0.00 -0.86 1.37 0.20 1.83 0.00 0.00 175.22 177.76 1b8t s GLY 182 N 2.79 0.22 0.41 13.12 0.00 -1.26 -5.18 107.32 117.42 1b8t s GLY 182 Ca 0.19 3.22 0.07 0.00 0.00 0.00 0.00 44.72 48.20 1b8t s GLY 182 CO -0.20 1.70 0.01 1.20 0.00 0.00 0.00 173.10 175.81 1b8t s GLN 183 N -0.25 1.95 0.00 2.90 -0.21 -1.26 -5.09 119.66 117.71 1b8t s GLN 183 Ca 0.07 -2.11 0.00 0.00 0.02 0.00 0.00 55.36 53.34 1b8t s GLN 183 Cb -0.04 -1.60 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1b8t s GLN 183 CO -0.12 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.39 1b8t n GLY 184 N -0.97 -1.71 0.06 3.09 0.00 -1.26 -5.09 105.19 99.31 1b8t n GLY 184 Ca -0.05 0.76 -0.04 0.00 0.00 0.00 0.00 46.02 46.68 1b8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t h ALA 185 N 0.00 0.00 -0.62 4.61 0.00 -2.10 -3.51 119.26 117.64 1b8t h ALA 185 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1b8t h ALA 185 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1b8t h ALA 185 CO 0.00 0.42 -0.17 0.41 0.00 0.00 0.00 179.25 179.90 1b8t n GLY 186 N 1.64 -2.17 3.43 0.00 0.00 -1.26 -4.98 105.19 101.85 1b8t n GLY 186 Ca -0.06 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.37 2.50 -0.58 4.61 0.00 -1.26 -5.07 121.76 119.59 1b8t s ALA 187 Ca 0.00 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.56 1b8t s ALA 187 Cb 0.00 -0.45 0.26 0.00 0.00 0.00 0.00 23.12 22.93 1b8t s ALA 187 CO 0.00 0.53 0.72 1.28 0.00 0.00 0.00 175.76 178.30 1b8t n LEU 188 N 0.75 3.08 -4.71 0.00 7.99 -1.26 -5.07 117.00 117.78 1b8t n LEU 188 Ca -0.16 -5.32 -0.64 0.00 -0.01 0.00 0.00 56.01 49.88 1b8t n LEU 188 Cb 0.53 -0.37 -0.09 0.00 -0.11 0.00 0.00 43.42 43.38 1b8t n LEU 188 CO 0.26 2.10 1.25 0.00 -1.51 0.00 0.00 177.39 179.48 1b8t n ILE 189 N 0.83 0.11 -2.33 -0.08 0.00 -1.26 -4.81 119.36 111.82 1b8t n ILE 189 Ca 0.28 -0.02 -0.43 0.00 0.00 0.00 0.00 62.75 62.58 1b8t n ILE 189 Cb 0.44 -0.76 -0.02 0.00 0.00 0.00 0.00 39.64 39.30 1b8t n ILE 189 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1b8t s HIS 190 N 3.42 2.58 0.09 9.51 5.65 -1.26 -4.92 115.29 130.36 1b8t s HIS 190 Ca 1.04 0.80 -0.34 0.00 0.25 0.00 0.00 55.06 56.81 1b8t s HIS 190 Cb -1.35 -3.79 -0.15 0.00 -1.18 0.00 0.00 32.58 26.12 1b8t s HIS 190 CO 0.75 -2.10 1.58 1.03 -0.65 0.00 0.00 174.74 175.36 1b8t h SER 191 N 9.22 -1.25 0.00 9.88 0.87 -2.06 -3.57 113.55 126.63 1b8t h SER 191 Ca -0.29 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1b8t h SER 191 Cb 1.12 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1b8t h SER 191 CO 1.00 -0.60 0.00 1.67 -0.53 0.00 0.00 176.83 178.38