#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 3.65 -0.30 0.03 0.04 -1.26 -5.05 135.00 132.12 1b8t s PRO 2 Ca 0.00 1.28 -0.38 0.00 0.04 0.00 0.00 61.00 61.95 1b8t s PRO 2 Cb 0.00 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.63 1b8t s PRO 2 CO 0.00 -0.54 1.40 0.54 0.04 0.00 0.00 177.00 178.43 1b8t s ASN 3 N -2.32 -0.00 -0.00 6.66 2.20 -1.26 -5.18 114.94 115.04 1b8t s ASN 3 Ca 0.65 0.00 -0.21 0.00 -0.94 0.00 0.00 52.86 52.36 1b8t s ASN 3 Cb -0.16 0.00 0.04 0.00 -2.00 0.00 0.00 41.25 39.14 1b8t s ASN 3 CO 0.26 -0.00 0.46 0.86 -2.94 0.00 0.00 177.10 175.74 1b8t s TRP 4 N -1.88 -0.36 0.05 1.54 -0.00 -1.26 -5.18 118.94 111.84 1b8t s TRP 4 Ca 0.12 0.53 0.01 0.00 -0.00 0.00 0.00 56.10 56.76 1b8t s TRP 4 Cb -0.01 0.24 -0.00 0.00 -0.00 0.00 0.00 33.47 33.70 1b8t s TRP 4 CO -0.03 -0.52 0.04 0.41 -0.00 0.00 0.00 176.95 176.84 1b8t n GLY 5 N 0.90 3.90 0.00 5.86 0.00 -1.26 -5.18 105.19 109.41 1b8t n GLY 5 Ca -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.47 -0.41 0.00 -0.02 0.00 -1.26 -5.19 105.19 98.77 1b8t n GLY 6 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.40 4.50 3.80 -0.02 0.00 -1.26 -5.01 105.19 106.80 1b8t n GLY 7 Ca 0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.64 2.24 -0.07 1.61 3.01 -0.44 -4.98 119.74 117.47 1b8t s LYS 8 Ca 0.00 -1.97 0.01 0.00 -1.01 0.00 0.00 55.97 53.00 1b8t s LYS 8 Cb 0.00 -1.97 0.02 0.00 -1.01 0.00 0.00 37.83 34.87 1b8t s LYS 8 CO 0.00 -0.30 -0.08 -1.59 0.51 0.00 0.00 175.35 173.88 1b8t s LYS 9 N -4.02 1.36 -0.50 1.68 -2.85 -1.26 -0.55 119.74 113.59 1b8t s LYS 9 Ca 0.34 -0.26 -0.27 0.00 -1.00 0.00 0.00 55.97 54.78 1b8t s LYS 9 Cb 0.01 -1.28 0.03 0.00 -2.06 0.00 0.00 37.83 34.54 1b8t s LYS 9 CO 0.19 -0.10 1.03 0.00 0.10 0.00 0.00 175.35 176.58 1b8t n GLY 11 N 4.97 -0.93 0.01 0.00 0.00 -1.24 -0.10 105.19 107.90 1b8t n GLY 11 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.24 0.18 1.61 0.31 -1.26 -4.57 118.33 114.06 1b8t n VAL 12 Ca 0.13 0.45 0.07 0.00 -0.01 0.00 0.00 64.34 64.97 1b8t n VAL 12 Cb 0.06 -1.64 0.18 0.00 -0.91 0.00 0.00 33.84 31.53 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 -3.22 0.00 -4.59 0.00 7.27 0.86 -5.06 117.38 112.64 1b8t n GLN 14 Ca 0.02 0.15 -0.30 0.00 0.07 0.00 0.00 57.00 56.95 1b8t n GLN 14 Cb 0.60 -3.17 -0.14 0.00 2.41 0.00 0.00 30.24 29.94 1b8t n GLN 14 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1b8t s LYS 15 N -2.93 1.59 0.65 3.69 2.20 -1.08 -4.88 119.74 118.99 1b8t s LYS 15 Ca 0.00 -1.24 -0.17 0.00 -0.36 0.00 0.00 55.97 54.20 1b8t s LYS 15 Cb 0.00 -1.95 -0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1b8t s LYS 15 CO 0.00 0.48 1.18 0.00 -0.36 0.00 0.00 175.35 176.64 1b8t s ALA 16 N -0.96 2.40 0.17 3.13 0.00 -1.26 -0.01 121.76 125.22 1b8t s ALA 16 Ca 0.13 0.83 0.07 0.00 0.00 0.00 0.00 51.96 53.00 1b8t s ALA 16 Cb -0.10 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1b8t s ALA 16 CO 0.05 -1.38 -0.14 0.08 0.00 0.00 0.00 175.76 174.36 1b8t s VAL 17 N -1.92 1.54 0.48 0.00 1.01 0.28 -4.74 120.40 117.05 1b8t s VAL 17 Ca 0.73 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1b8t s VAL 17 Cb -0.27 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1b8t s VAL 17 CO 0.38 -0.55 0.66 -0.31 0.00 0.00 0.00 175.10 175.29 1b8t s TYR 18 N -2.72 2.89 -1.22 5.22 2.02 -1.26 -1.33 117.35 120.95 1b8t s TYR 18 Ca 0.17 -0.16 -0.17 0.00 -0.37 0.00 0.00 57.07 56.54 1b8t s TYR 18 Cb -0.02 -2.52 0.10 0.00 -0.40 0.00 0.00 41.96 39.12 1b8t s TYR 18 CO 0.05 -0.59 1.58 0.12 -1.57 0.00 0.00 175.55 175.14 1b8t s PHE 19 N -2.54 2.97 0.00 2.71 2.19 -1.26 -3.04 117.98 119.01 1b8t s PHE 19 Ca 0.55 -1.66 0.00 0.00 0.33 0.00 0.00 56.93 56.15 1b8t s PHE 19 Cb -0.10 -4.60 0.00 0.00 -1.31 0.00 0.00 43.02 37.01 1b8t s PHE 19 CO 0.36 -1.69 0.00 0.00 1.83 0.00 0.00 175.22 175.71 1b8t n ALA 20 N 7.59 0.00 0.08 11.12 0.00 -1.26 -4.95 120.51 133.10 1b8t n ALA 20 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1b8t n ALA 20 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1b8t n ALA 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1b8t h GLU 21 N 0.00 0.36 -5.65 0.00 4.11 -1.99 -3.46 114.58 107.95 1b8t h GLU 21 Ca 0.00 -0.47 -0.79 0.00 0.07 0.00 0.00 59.36 58.17 1b8t h GLU 21 Cb 0.00 0.15 0.03 0.00 0.50 0.00 0.00 28.75 29.43 1b8t h GLU 21 CO 0.00 1.16 0.39 -1.91 0.07 0.00 0.00 179.01 178.72 1b8t n GLU 22 N -3.67 0.00 -4.01 1.06 0.00 -1.17 -3.80 120.64 109.05 1b8t n GLU 22 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.74 1b8t n GLU 22 Cb 0.91 -1.41 -0.15 0.00 0.00 0.00 0.00 31.44 30.79 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 1.61 2.66 0.10 6.31 1.01 -0.26 -4.95 120.40 126.87 1b8t s VAL 23 Ca 0.93 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1b8t s VAL 23 Cb -1.32 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1b8t s VAL 23 CO 0.67 0.39 0.51 -1.10 0.00 0.00 0.00 175.10 175.56 1b8t s GLN 24 N 1.34 3.98 -0.07 2.72 -0.21 -1.26 -0.58 119.66 125.58 1b8t s GLN 24 Ca 0.03 0.48 -0.05 0.00 0.02 0.00 0.00 55.36 55.84 1b8t s GLN 24 Cb -0.15 -3.05 0.03 0.00 1.00 0.00 0.00 33.01 30.84 1b8t s GLN 24 CO -0.08 0.56 0.18 0.00 -2.12 0.00 0.00 175.29 173.83 1b8t n GLU 26 N 3.49 0.00 0.00 0.00 0.00 -1.26 0.20 120.64 123.07 1b8t n GLU 26 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1b8t n GLU 26 Cb 0.56 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.58 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b8t n GLY 27 N 6.63 3.17 3.73 8.31 0.00 -1.26 -4.77 105.19 121.00 1b8t n GLY 27 Ca 0.58 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1b8t n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8t s SER 28 N 0.00 0.06 0.02 1.61 1.04 0.13 -5.17 113.70 111.39 1b8t s SER 28 Ca 0.00 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.47 1b8t s SER 28 Cb 0.00 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 1b8t s SER 28 CO 0.00 -1.43 -0.16 -0.94 0.98 0.00 0.00 173.24 171.69 1b8t s SER 29 N -3.05 1.87 0.26 7.02 1.04 -1.26 -0.43 113.70 119.15 1b8t s SER 29 Ca 0.18 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.23 1b8t s SER 29 Cb -0.04 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1b8t s SER 29 CO 0.11 0.12 0.17 -0.36 0.98 0.00 0.00 173.24 174.26 1b8t s PHE 30 N -0.64 1.42 1.19 5.02 0.08 0.26 -3.59 117.98 121.72 1b8t s PHE 30 Ca 0.04 -1.43 -0.15 0.00 0.12 0.00 0.00 56.93 55.51 1b8t s PHE 30 Cb -0.07 -0.68 0.25 0.00 -0.57 0.00 0.00 43.02 41.95 1b8t s PHE 30 CO 0.01 -0.65 0.69 0.72 -0.10 0.00 0.00 175.22 175.89 1b8t n HIS 31 N -0.43 -1.57 0.33 0.36 8.25 -1.26 -1.10 115.22 119.79 1b8t n HIS 31 Ca 0.03 -0.14 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 1b8t n HIS 31 Cb 0.65 -1.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.06 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 -2.62 -0.80 0.00 -0.41 3.11 -1.93 -1.98 116.57 111.93 1b8t h LYS 32 Ca -0.59 0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.24 1b8t h LYS 32 Cb 1.34 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.74 1b8t h LYS 32 CO 0.45 -0.49 -0.31 0.77 -2.81 0.00 0.00 179.45 177.06 1b8t h SER 33 N -1.01 0.00 -0.93 4.20 0.02 -1.92 -2.26 113.55 111.64 1b8t h SER 33 Ca -0.09 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1b8t h SER 33 Cb 0.69 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 1b8t h SER 33 CO 0.14 0.31 0.59 0.00 -1.14 0.00 0.00 176.83 176.73 1b8t n PHE 35 N -4.57 1.89 -3.89 0.00 -0.00 -0.76 -4.80 117.46 105.33 1b8t n PHE 35 Ca 0.14 -1.63 -0.16 0.00 -0.00 0.00 0.00 57.45 55.80 1b8t n PHE 35 Cb 0.19 -1.82 -0.16 0.00 -0.00 0.00 0.00 39.48 37.69 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 3.11 1.33 -0.41 -2.13 0.20 -1.23 -1.47 118.68 118.08 1b8t s LEU 36 Ca 0.61 -0.01 -0.41 0.00 0.69 0.00 0.00 54.13 55.01 1b8t s LEU 36 Cb 0.11 -0.15 -0.16 0.00 -0.43 0.00 0.00 46.19 45.56 1b8t s LEU 36 CO 0.14 -0.08 2.00 0.00 -0.29 0.00 0.00 176.35 178.12 1b8t n MET 38 N 6.81 1.00 -0.02 0.00 2.81 -0.57 -0.14 117.12 127.01 1b8t n MET 38 Ca 0.42 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 56.28 1b8t n MET 38 Cb 0.07 -1.07 -0.01 0.00 -0.71 0.00 0.00 33.22 31.50 1b8t n MET 38 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1b8t n VAL 39 N -0.56 0.49 0.08 2.03 0.31 -1.26 -4.68 118.33 114.74 1b8t n VAL 39 Ca 0.03 0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 64.68 1b8t n VAL 39 Cb 0.02 -1.72 -0.07 0.00 -0.91 0.00 0.00 33.84 31.16 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 -3.26 0.00 -4.00 0.00 0.00 0.80 -5.06 118.16 106.65 1b8t n LYS 41 Ca -0.01 0.09 -0.35 0.00 0.00 0.00 0.00 58.31 58.04 1b8t n LYS 41 Cb 0.87 -2.13 -0.10 0.00 0.00 0.00 0.00 35.03 33.68 1b8t n LYS 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1b8t s LYS 42 N -2.27 3.96 0.45 1.64 2.20 -1.16 -4.83 119.74 119.74 1b8t s LYS 42 Ca 0.00 -0.34 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 1b8t s LYS 42 Cb 0.00 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 1b8t s LYS 42 CO 0.00 0.29 1.21 -1.71 -0.36 0.00 0.00 175.35 174.78 1b8t n ASN 43 N 3.48 2.17 -4.11 1.43 5.15 -1.26 0.25 115.26 122.36 1b8t n ASN 43 Ca -0.17 1.05 -0.27 0.00 -0.60 0.00 0.00 54.58 54.59 1b8t n ASN 43 Cb 0.52 -1.47 -0.17 0.00 -0.53 0.00 0.00 39.78 38.13 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1b8t s LEU 44 N -1.74 1.85 0.00 1.20 1.43 -0.54 -4.72 118.68 116.16 1b8t s LEU 44 Ca 0.64 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1b8t s LEU 44 Cb -0.50 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1b8t s LEU 44 CO 0.56 0.10 0.00 -0.90 0.23 0.00 0.00 176.35 176.34 1b8t n ASP 45 N 3.55 0.00 -3.72 2.29 5.75 -1.26 -4.63 116.55 118.52 1b8t n ASP 45 Ca -0.21 0.18 -0.06 0.00 -0.01 0.00 0.00 54.79 54.69 1b8t n ASP 45 Cb 0.52 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 1b8t n ASP 45 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1b8t s SER 46 N -3.64 -0.28 0.46 -1.12 0.01 -1.26 -5.06 113.70 102.81 1b8t s SER 46 Ca 0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1b8t s SER 46 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1b8t s SER 46 CO 0.00 -1.03 0.00 1.07 0.41 0.00 0.00 173.24 173.69 1b8t n THR 47 N -0.43 -5.62 0.00 1.44 5.66 -1.26 -4.57 114.28 109.50 1b8t n THR 47 Ca -0.07 2.57 0.00 0.00 -3.05 0.00 0.00 64.05 63.50 1b8t n THR 47 Cb 0.61 -3.45 0.00 0.00 -1.55 0.00 0.00 70.33 65.94 1b8t n THR 47 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1b8t n THR 48 N -0.18 0.00 -1.83 1.09 -1.04 -1.26 -4.96 114.28 106.10 1b8t n THR 48 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1b8t n THR 48 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 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 -0.12 2.13 0.31 12.58 0.11 -1.26 -0.20 120.40 133.94 1b8t s VAL 49 Ca 0.00 0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1b8t s VAL 49 Cb 0.00 -3.08 -0.06 0.00 -1.53 0.00 0.00 36.38 31.71 1b8t s VAL 49 CO 0.00 0.03 -0.08 0.00 -3.33 0.00 0.00 175.10 171.72 1b8t s ALA 50 N -0.88 2.61 -0.04 1.54 0.00 0.14 -4.78 121.76 120.36 1b8t s ALA 50 Ca 0.55 -1.98 0.05 0.00 0.00 0.00 0.00 51.96 50.58 1b8t s ALA 50 Cb -0.46 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1b8t s ALA 50 CO 0.59 -0.00 -0.20 0.08 0.00 0.00 0.00 175.76 176.22 1b8t s VAL 51 N -2.83 2.53 -0.03 0.00 1.01 -1.26 -1.40 120.40 118.42 1b8t s VAL 51 Ca 0.31 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1b8t s VAL 51 Cb 0.03 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1b8t s VAL 51 CO 0.14 0.58 0.05 -2.28 0.00 0.00 0.00 175.10 173.59 1b8t s HIS 52 N -0.55 -0.01 0.00 5.22 5.04 -0.59 -5.01 115.29 119.39 1b8t s HIS 52 Ca 0.08 0.20 0.00 0.00 -1.54 0.00 0.00 55.06 53.80 1b8t s HIS 52 Cb -0.11 -0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.30 1b8t s HIS 52 CO 0.01 -0.11 0.00 0.41 -2.34 0.00 0.00 174.74 172.71 1b8t n GLY 53 N 4.19 0.51 2.56 1.59 0.00 -1.26 -0.04 105.19 112.74 1b8t n GLY 53 Ca -0.28 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 3.84 1.77 -3.49 1.61 -0.08 -1.26 -5.03 116.55 113.92 1b8t n ASP 54 Ca 0.00 -2.90 -0.11 0.00 -1.51 0.00 0.00 54.79 50.26 1b8t n ASP 54 Cb 0.00 -0.54 -0.02 0.00 2.34 0.00 0.00 41.12 42.89 1b8t n ASP 54 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1b8t s GLU 55 N -3.05 1.27 0.00 -0.67 2.56 0.94 -4.96 118.70 114.80 1b8t s GLU 55 Ca 0.32 -0.55 0.05 0.00 0.00 0.00 0.00 54.97 54.79 1b8t s GLU 55 Cb 0.43 0.57 -0.03 0.00 2.00 0.00 0.00 34.13 37.10 1b8t s GLU 55 CO -0.01 -0.55 -0.14 -1.50 -0.56 0.00 0.00 175.26 172.50 1b8t s ILE 56 N -3.77 3.07 0.29 -3.70 -1.16 -1.26 -1.53 121.20 113.13 1b8t s ILE 56 Ca 0.02 -0.95 -0.05 0.00 -0.51 0.00 0.00 60.65 59.16 1b8t s ILE 56 Cb -0.01 -2.28 -0.01 0.00 0.61 0.00 0.00 42.46 40.78 1b8t s ILE 56 CO -0.11 0.43 0.42 -0.31 -2.81 0.00 0.00 174.94 172.55 1b8t s TYR 57 N -0.88 0.88 -0.11 3.50 2.02 -0.49 -1.51 117.35 120.76 1b8t s TYR 57 Ca 0.14 -1.14 -0.06 0.00 -0.37 0.00 0.00 57.07 55.64 1b8t s TYR 57 Cb -0.11 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.33 1b8t s TYR 57 CO 0.04 -1.01 0.12 0.00 -1.57 0.00 0.00 175.55 173.13 1b8t n LYS 59 N 1.94 0.00 0.00 0.00 5.02 0.72 -0.70 118.16 125.14 1b8t n LYS 59 Ca -0.19 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1b8t n LYS 59 Cb 0.55 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1b8t n SER 60 N -2.72 0.00 -0.34 4.39 2.88 -1.26 0.19 113.62 116.75 1b8t n SER 60 Ca 0.00 0.49 -0.05 0.00 -1.33 0.00 0.00 58.87 57.97 1b8t n SER 60 Cb 0.00 -0.23 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 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 -0.06 -0.92 0.00 0.00 5.03 0.43 1.28 116.97 122.73 1b8t h TYR 62 Ca 0.26 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.64 1b8t h TYR 62 Cb 0.54 0.49 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1b8t h TYR 62 CO -0.86 -0.38 0.00 0.78 -1.32 0.00 0.00 178.16 176.38 1b8t h GLY 63 N -0.15 0.00 0.09 1.82 0.00 0.35 0.15 103.07 105.33 1b8t h GLY 63 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1b8t h GLY 63 CO -0.69 0.00 -0.02 0.50 0.00 0.00 0.00 176.54 176.33 1b8t h LYS 64 N 0.00 -0.04 -0.24 4.80 1.57 0.58 0.25 116.57 123.49 1b8t h LYS 64 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1b8t h LYS 64 Cb 0.25 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1b8t h LYS 64 CO 0.00 0.57 0.05 -0.22 -0.57 0.00 0.00 179.45 179.28 1b8t h LYS 65 N -0.95 0.39 -0.02 3.15 3.11 -0.25 -3.17 116.57 118.82 1b8t h LYS 65 Ca -0.00 -0.10 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1b8t h LYS 65 Cb 0.63 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1b8t h LYS 65 CO 0.01 0.51 -0.00 1.88 -2.81 0.00 0.00 179.45 179.03 1b8t h TYR 66 N 0.21 0.05 -5.93 1.91 -1.99 -0.85 -3.48 116.97 106.89 1b8t h TYR 66 Ca 0.07 -0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.61 1b8t h TYR 66 Cb 0.30 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.02 1b8t h TYR 66 CO 0.02 0.37 -0.99 0.41 -0.00 0.00 0.00 178.16 177.97 1b8t n GLY 67 N -0.17 0.09 3.82 3.88 0.00 0.87 -4.89 105.19 108.79 1b8t n GLY 67 Ca -0.08 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.55 3.08 -0.23 1.61 0.04 -1.26 -5.07 135.00 131.62 1b8t s PRO 68 Ca 0.18 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 1b8t s PRO 68 Cb -0.02 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.68 1b8t s PRO 68 CO 0.40 -0.99 1.19 0.21 0.04 0.00 0.00 177.00 177.85 1b8t s LYS 69 N -4.75 0.31 0.28 4.56 2.47 -1.26 -5.19 119.74 116.15 1b8t s LYS 69 Ca 0.59 0.09 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 1b8t s LYS 69 Cb -0.14 0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.35 1b8t s LYS 69 CO 0.49 -0.09 0.29 0.20 0.16 0.00 0.00 175.35 176.40 1b8t s GLY 70 N -0.98 1.66 -0.15 5.54 0.00 -1.26 -5.18 107.32 106.94 1b8t s GLY 70 Ca 0.04 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 42.77 1b8t s GLY 70 CO -0.04 -1.25 0.89 0.54 0.00 0.00 0.00 173.10 173.24 1b8t s LYS 71 N -3.66 0.73 0.28 2.90 1.02 -1.26 -5.19 119.74 114.57 1b8t s LYS 71 Ca 0.36 0.31 -0.20 0.00 0.02 0.00 0.00 55.97 56.46 1b8t s LYS 71 Cb 0.03 0.35 0.02 0.00 -0.52 0.00 0.00 37.83 37.71 1b8t s LYS 71 CO 0.19 -0.20 0.69 0.20 -0.92 0.00 0.00 175.35 175.31 1b8t s GLY 72 N -0.82 0.00 -0.30 -3.33 0.00 -1.26 -5.17 107.32 96.45 1b8t s GLY 72 Ca -0.04 -0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.12 1b8t s GLY 72 CO 0.03 -0.16 1.14 -1.59 0.00 0.00 0.00 173.10 172.52 1b8t s LYS 73 N -3.89 0.16 -0.07 2.90 0.00 -1.26 -5.16 119.74 112.43 1b8t s LYS 73 Ca 0.13 0.39 -0.02 0.00 0.00 0.00 0.00 55.97 56.47 1b8t s LYS 73 Cb -0.05 0.22 -0.04 0.00 0.00 0.00 0.00 37.83 37.96 1b8t s LYS 73 CO 0.07 -0.05 0.05 0.20 0.00 0.00 0.00 175.35 175.62 1b8t s GLY 74 N 2.11 1.96 -0.30 0.59 0.00 -1.26 -5.09 107.32 105.34 1b8t s GLY 74 Ca -0.02 -0.79 -0.16 0.00 0.00 0.00 0.00 44.72 43.74 1b8t s GLY 74 CO -0.16 -0.59 1.09 -0.29 0.00 0.00 0.00 173.10 173.15 1b8t s MET 75 N -1.17 0.21 0.25 2.90 0.00 -1.26 -5.18 119.30 115.05 1b8t s MET 75 Ca 0.16 0.51 0.02 0.00 0.00 0.00 0.00 55.69 56.38 1b8t s MET 75 Cb -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 34.83 34.94 1b8t s MET 75 CO 0.06 -0.07 0.05 0.20 0.00 0.00 0.00 175.02 175.27 1b8t s GLY 76 N 2.21 1.70 -0.29 2.11 0.00 -1.26 -5.16 107.32 106.63 1b8t s GLY 76 Ca -0.02 -1.85 -0.23 0.00 0.00 0.00 0.00 44.72 42.61 1b8t s GLY 76 CO -0.17 -1.65 1.09 0.00 0.00 0.00 0.00 173.10 172.38 1b8t s ALA 77 N -3.58 -2.07 0.41 3.20 0.00 -1.26 -5.19 121.76 113.27 1b8t s ALA 77 Ca 0.34 1.90 0.03 0.00 0.00 0.00 0.00 51.96 54.23 1b8t s ALA 77 Cb 0.07 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1b8t s ALA 77 CO 0.12 -0.23 0.08 0.20 0.00 0.00 0.00 175.76 175.92 1b8t s GLY 78 N 0.39 2.55 0.01 0.00 0.00 -1.26 -5.17 107.32 103.84 1b8t s GLY 78 Ca 0.02 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 1b8t s GLY 78 CO -0.09 -1.91 0.06 -1.59 0.00 0.00 0.00 173.10 169.56 1b8t s THR 79 N -3.14 0.08 -0.03 0.90 2.01 -1.26 -5.16 115.64 109.04 1b8t s THR 79 Ca 0.24 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.59 1b8t s THR 79 Cb 0.04 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1b8t s THR 79 CO 0.13 -0.38 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.30 1b8t s LEU 80 N -1.22 1.93 0.05 4.42 2.96 -1.26 -5.14 118.68 120.43 1b8t s LEU 80 Ca -0.13 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1b8t s LEU 80 Cb -0.08 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 1b8t s LEU 80 CO 0.00 0.16 -0.15 -0.94 -1.32 0.00 0.00 176.35 174.10 1b8t s SER 81 N -0.07 1.77 0.01 3.68 1.04 -1.26 -5.15 113.70 113.71 1b8t s SER 81 Ca -0.00 -0.53 -0.07 0.00 0.48 0.00 0.00 55.95 55.83 1b8t s SER 81 Cb -0.09 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 1b8t s SER 81 CO 0.01 0.00 0.13 0.42 0.98 0.00 0.00 173.24 174.78 1b8t s THR 82 N -1.01 0.09 -0.30 2.02 -4.23 -1.26 -5.16 115.64 105.79 1b8t s THR 82 Ca 0.01 -0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1b8t s THR 82 Cb -0.09 -0.46 0.20 0.00 1.34 0.00 0.00 72.50 73.50 1b8t s THR 82 CO 0.02 -0.40 1.42 -0.62 -0.54 0.00 0.00 174.62 174.49 1b8t s ASP 83 N -1.45 -0.03 -0.12 3.99 2.15 -1.26 -5.19 116.67 114.76 1b8t s ASP 83 Ca -0.14 0.06 -0.31 0.00 0.43 0.00 0.00 52.55 52.59 1b8t s ASP 83 Cb -0.07 0.30 0.13 0.00 -0.30 0.00 0.00 42.92 42.97 1b8t s ASP 83 CO 0.01 -0.01 1.05 -1.59 -0.17 0.00 0.00 175.17 174.46 1b8t s LYS 84 N 0.27 0.55 0.00 4.34 0.00 -1.26 -5.17 119.74 118.47 1b8t s LYS 84 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 55.90 1b8t s LYS 84 Cb -0.04 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.04 1b8t s LYS 84 CO -0.15 -0.22 0.00 0.41 0.00 0.00 0.00 175.35 175.39 1b8t n GLY 85 N 0.11 4.23 3.16 0.59 0.00 -1.26 -5.17 105.19 106.84 1b8t n GLY 85 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.28 0.01 0.23 1.61 2.56 -1.26 -5.18 118.70 112.39 1b8t s GLU 86 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.97 55.05 1b8t s GLU 86 Cb 0.00 0.01 -0.05 0.00 2.00 0.00 0.00 34.13 36.09 1b8t s GLU 86 CO 0.00 -0.00 -0.08 -1.54 -0.56 0.00 0.00 175.26 173.08 1b8t s SER 87 N 2.13 2.35 -0.17 -1.70 1.04 -1.26 -5.16 113.70 110.92 1b8t s SER 87 Ca -0.01 -1.12 -0.29 0.00 0.48 0.00 0.00 55.95 55.01 1b8t s SER 87 Cb -0.01 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.13 1b8t s SER 87 CO -0.15 -0.33 0.93 -0.22 0.98 0.00 0.00 173.24 174.45 1b8t s LEU 88 N -3.33 -0.46 -0.29 2.42 2.96 -1.26 -5.18 118.68 113.53 1b8t s LEU 88 Ca 0.25 0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 54.53 1b8t s LEU 88 Cb 0.03 2.03 0.19 0.00 0.50 0.00 0.00 46.19 48.94 1b8t s LEU 88 CO 0.08 -0.35 1.42 -0.83 -1.32 0.00 0.00 176.35 175.35 1b8t s GLY 89 N -0.75 0.30 -0.00 7.98 0.00 -1.26 -5.17 107.32 108.42 1b8t s GLY 89 Ca -0.02 3.38 0.01 0.00 0.00 0.00 0.00 44.72 48.08 1b8t s GLY 89 CO 0.01 1.79 -0.02 -1.50 0.00 0.00 0.00 173.10 173.38 1b8t s ILE 90 N -0.17 0.15 0.32 0.90 1.10 -1.26 -5.16 121.20 117.08 1b8t s ILE 90 Ca 0.08 -0.06 0.03 0.00 -0.51 0.00 0.00 60.65 60.19 1b8t s ILE 90 Cb -0.04 -0.15 -0.06 0.00 0.15 0.00 0.00 42.46 42.36 1b8t s ILE 90 CO -0.14 0.05 0.07 -0.54 -2.11 0.00 0.00 174.94 172.27 1b8t s LYS 91 N 0.10 1.62 0.26 3.50 1.02 -1.26 -5.17 119.74 119.81 1b8t s LYS 91 Ca -0.01 -1.90 -0.21 0.00 0.02 0.00 0.00 55.97 53.88 1b8t s LYS 91 Cb -0.02 -0.76 0.03 0.00 -0.52 0.00 0.00 37.83 36.55 1b8t s LYS 91 CO -0.00 -0.21 0.69 1.52 -0.92 0.00 0.00 175.35 176.42 1b8t s TYR 92 N -3.37 -0.23 0.07 3.18 1.13 -1.26 -5.18 117.35 111.69 1b8t s TYR 92 Ca 0.36 -0.18 -0.12 0.00 -1.41 0.00 0.00 57.07 55.72 1b8t s TYR 92 Cb 0.08 0.66 0.01 0.00 -1.10 0.00 0.00 41.96 41.62 1b8t s TYR 92 CO 0.15 -1.16 0.27 -1.83 -2.51 0.00 0.00 175.55 170.48 1b8t s GLU 93 N -3.89 0.86 -0.00 -3.49 1.03 -1.26 -5.17 118.70 106.77 1b8t s GLU 93 Ca 0.10 -0.70 -0.01 0.00 0.03 0.00 0.00 54.97 54.39 1b8t s GLU 93 Cb -0.05 0.36 -0.00 0.00 -0.80 0.00 0.00 34.13 33.64 1b8t s GLU 93 CO 0.03 -0.28 0.02 -2.00 -1.33 0.00 0.00 175.26 171.70 1b8t s GLU 94 N -3.20 0.13 -0.28 -4.83 2.12 -1.26 -5.15 118.70 106.24 1b8t s GLU 94 Ca -0.00 -0.16 -0.21 0.00 0.36 0.00 0.00 54.97 54.96 1b8t s GLU 94 Cb 0.01 0.05 0.10 0.00 0.26 0.00 0.00 34.13 34.55 1b8t s GLU 94 CO -0.07 -0.02 0.82 0.20 -0.54 0.00 0.00 175.26 175.64 1b8t s GLY 95 N -0.45 -0.40 -0.27 -1.50 0.00 -1.26 -5.17 107.32 98.26 1b8t s GLY 95 Ca -0.05 2.48 -0.38 0.00 0.00 0.00 0.00 44.72 46.76 1b8t s GLY 95 CO -0.00 2.12 1.40 1.20 0.00 0.00 0.00 173.10 177.82 1b8t s GLN 96 N 0.91 0.01 -0.04 2.90 -1.52 -1.26 -5.19 119.66 115.47 1b8t s GLN 96 Ca -0.04 -0.00 -0.31 0.00 -1.95 0.00 0.00 55.36 53.06 1b8t s GLN 96 Cb -0.05 0.00 0.12 0.00 -0.22 0.00 0.00 33.01 32.87 1b8t s GLN 96 CO -0.10 -0.00 1.28 0.45 -0.25 0.00 0.00 175.29 176.67 1b8t s SER 97 N -2.14 -0.07 -0.10 5.90 0.15 -1.26 -5.19 113.70 111.00 1b8t s SER 97 Ca 0.12 -0.12 -0.33 0.00 0.70 0.00 0.00 55.95 56.33 1b8t s SER 97 Cb 0.00 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.61 1b8t s SER 97 CO -0.03 -0.29 1.32 -2.28 1.20 0.00 0.00 173.24 173.16 1b8t s HIS 98 N -2.42 -0.04 -0.21 3.44 5.04 -1.26 -5.19 115.29 114.64 1b8t s HIS 98 Ca 0.14 -0.02 -0.29 0.00 -1.54 0.00 0.00 55.06 53.35 1b8t s HIS 98 Cb 0.04 0.53 0.15 0.00 0.04 0.00 0.00 32.58 33.34 1b8t s HIS 98 CO -0.04 -0.17 1.13 -0.98 -2.34 0.00 0.00 174.74 172.34 1b8t s ARG 99 N -2.29 0.40 1.12 2.88 1.70 -1.26 -5.18 118.95 116.33 1b8t s ARG 99 Ca 0.13 0.13 -0.19 0.00 -0.47 0.00 0.00 55.73 55.34 1b8t s ARG 99 Cb 0.04 0.19 0.27 0.00 -0.57 0.00 0.00 34.95 34.88 1b8t s ARG 99 CO -0.05 -0.12 1.23 -0.35 -1.08 0.00 0.00 175.30 174.94 1b8t n PRO 100 N 0.81 -2.24 -3.64 3.89 -0.04 -1.26 -5.10 135.00 127.42 1b8t n PRO 100 Ca -0.07 -1.93 -0.04 0.00 -0.04 0.00 0.00 63.50 61.41 1b8t n PRO 100 Cb 0.58 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -3.48 0.00 -0.29 0.52 -1.32 -1.26 -5.16 115.64 104.64 1b8t s THR 101 Ca 0.74 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 61.09 1b8t s THR 101 Cb -0.04 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.06 1b8t s THR 101 CO 0.54 0.00 0.71 0.21 -2.21 0.00 0.00 174.62 173.87 1b8t s ASN 102 N 0.54 -0.98 1.12 8.08 3.84 -1.26 -5.17 114.94 121.10 1b8t s ASN 102 Ca 0.00 1.45 -0.17 0.00 0.21 0.00 0.00 52.86 54.35 1b8t s ASN 102 Cb -0.04 1.79 0.25 0.00 -0.55 0.00 0.00 41.25 42.70 1b8t s ASN 102 CO -0.11 -0.22 1.14 -0.81 -2.79 0.00 0.00 177.10 174.31 1b8t n PRO 103 N 4.81 -2.11 -3.64 0.43 -0.04 -1.26 -5.10 135.00 128.09 1b8t n PRO 103 Ca -0.16 -1.79 -0.04 0.00 -0.04 0.00 0.00 63.50 61.47 1b8t n PRO 103 Cb 0.54 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.93 -0.31 -0.24 3.54 -0.87 -1.26 -5.18 114.94 105.70 1b8t s ASN 104 Ca 0.69 0.56 -0.28 0.00 -1.57 0.00 0.00 52.86 52.25 1b8t s ASN 104 Cb -0.04 0.77 0.15 0.00 -0.02 0.00 0.00 41.25 42.10 1b8t s ASN 104 CO 0.50 -0.09 1.15 0.00 -2.57 0.00 0.00 177.10 176.09 1b8t s ALA 105 N 0.53 -2.03 -0.30 0.60 0.00 -1.26 -5.18 121.76 114.13 1b8t s ALA 105 Ca 0.00 1.73 -0.27 0.00 0.00 0.00 0.00 51.96 53.43 1b8t s ALA 105 Cb -0.04 -1.22 0.19 0.00 0.00 0.00 0.00 23.12 22.06 1b8t s ALA 105 CO -0.11 -0.25 1.43 -1.54 0.00 0.00 0.00 175.76 175.29 1b8t s SER 106 N -0.63 -0.03 0.00 0.00 1.04 -1.26 -5.18 113.70 107.64 1b8t s SER 106 Ca 0.03 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1b8t s SER 106 Cb -0.02 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1b8t s SER 106 CO -0.05 -0.02 0.00 -1.14 0.98 0.00 0.00 173.24 173.02 1b8t n ARG 107 N 1.14 0.00 -3.63 4.02 3.00 -1.26 -5.19 116.66 114.74 1b8t n ARG 107 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.75 1b8t n ARG 107 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.99 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 -1.49 0.18 0.05 -0.14 0.23 -1.26 -5.18 119.30 111.69 1b8t s MET 108 Ca 0.00 0.06 -0.10 0.00 -1.03 0.00 0.00 55.69 54.62 1b8t s MET 108 Cb 0.00 0.08 0.01 0.00 -1.53 0.00 0.00 34.83 33.39 1b8t s MET 108 CO 0.00 -0.05 0.22 0.00 -2.03 0.00 0.00 175.02 173.16 1b8t s ALA 109 N -0.89 -0.41 -0.30 3.16 0.00 -1.26 -5.16 121.76 116.90 1b8t s ALA 109 Ca 0.06 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1b8t s ALA 109 Cb -0.01 0.33 0.21 0.00 0.00 0.00 0.00 23.12 23.64 1b8t s ALA 109 CO -0.07 -0.40 1.28 1.14 0.00 0.00 0.00 175.76 177.72 1b8t s GLN 110 N -2.78 0.04 -0.29 0.00 1.03 -1.26 -5.17 119.66 111.22 1b8t s GLN 110 Ca -0.03 0.07 -0.22 0.00 0.04 0.00 0.00 55.36 55.22 1b8t s GLN 110 Cb -0.00 0.01 0.17 0.00 0.03 0.00 0.00 33.01 33.22 1b8t s GLN 110 CO -0.05 -0.01 1.23 0.21 -2.54 0.00 0.00 175.29 174.13 1b8t s LYS 111 N 0.93 0.22 -0.24 9.60 2.20 -1.26 -5.18 119.74 126.01 1b8t s LYS 111 Ca -0.06 0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 1b8t s LYS 111 Cb -0.02 0.09 0.16 0.00 -1.51 0.00 0.00 37.83 36.55 1b8t s LYS 111 CO -0.10 -0.03 1.22 0.54 -0.36 0.00 0.00 175.35 176.61 1b8t s VAL 112 N 0.47 0.00 0.00 4.02 0.11 -1.26 -5.19 120.40 118.55 1b8t s VAL 112 Ca 0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1b8t s VAL 112 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1b8t s VAL 112 CO -0.12 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 1b8t n GLY 113 N 0.81 1.66 0.00 6.54 0.00 -1.26 -5.15 105.19 107.78 1b8t n GLY 113 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.64 2.49 3.60 -0.02 0.00 -1.26 -5.18 105.19 104.17 1b8t n GLY 114 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1b8t n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8t s SER 115 N 0.00 -0.34 0.00 1.61 0.01 -1.26 -4.97 113.70 108.75 1b8t s SER 115 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1b8t s SER 115 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1b8t s SER 115 CO 0.00 -0.27 0.00 0.47 0.41 0.00 0.00 173.24 173.85 1b8t n ASP 116 N 0.97 0.00 -4.20 2.44 8.00 -0.54 -5.06 116.55 118.16 1b8t n ASP 116 Ca -0.10 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.22 1b8t n ASP 116 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 1b8t n ASP 116 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1b8t s GLY 117 N 0.00 1.91 -0.42 0.44 0.00 -1.26 -0.26 107.32 107.73 1b8t s GLY 117 Ca 0.00 -1.80 -0.16 0.00 0.00 0.00 0.00 44.72 42.76 1b8t s GLY 117 CO 0.00 -1.61 0.38 0.00 0.00 0.00 0.00 173.10 171.86 1b8t n PRO 119 N 5.39 0.67 -0.00 0.00 -0.04 -1.26 0.55 135.00 140.31 1b8t n PRO 119 Ca -0.09 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1b8t n PRO 119 Cb 0.47 -1.50 -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 -1.05 0.02 0.10 0.54 0.63 -1.26 -4.65 116.66 110.98 1b8t n ARG 120 Ca 0.17 0.20 -0.16 0.00 -0.92 0.00 0.00 57.85 57.14 1b8t n ARG 120 Cb 0.10 -0.74 -0.14 0.00 0.45 0.00 0.00 32.46 32.13 1b8t n ARG 120 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b8t n GLY 122 N 1.56 1.83 3.74 0.00 0.00 0.19 -5.07 105.19 107.45 1b8t n GLY 122 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1b8t n GLY 122 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b8t n GLN 123 N -0.22 2.31 -0.67 1.61 1.13 -1.25 -4.19 117.38 116.11 1b8t n GLN 123 Ca 0.00 0.81 -0.31 0.00 -1.94 0.00 0.00 57.00 55.56 1b8t n GLN 123 Cb 0.00 -2.52 0.17 0.00 0.11 0.00 0.00 30.24 28.00 1b8t n GLN 123 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b8t n ALA 124 N 0.15 -1.70 -3.76 -1.58 0.00 -1.26 0.17 120.51 112.53 1b8t n ALA 124 Ca 0.04 -0.70 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 1b8t n ALA 124 Cb 0.39 -2.05 -0.18 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.53 0.34 0.17 0.00 1.01 0.65 -4.48 120.40 115.56 1b8t s VAL 125 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1b8t s VAL 125 Cb -0.22 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1b8t s VAL 125 CO 0.62 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.97 1b8t n TYR 126 N 5.11 -3.23 -0.57 5.22 9.36 -1.26 -1.46 117.16 130.33 1b8t n TYR 126 Ca -0.08 0.59 0.00 0.00 3.32 0.00 0.00 57.90 61.73 1b8t n TYR 126 Cb 0.50 1.77 0.00 0.00 -0.63 0.00 0.00 39.34 40.98 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 -2.85 0.00 -1.27 2.98 0.00 -1.26 -4.86 120.51 113.25 1b8t n ALA 127 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1b8t n ALA 127 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.97 -2.04 0.00 0.00 -1.26 -3.67 120.51 107.58 1b8t n ALA 128 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1b8t n ALA 128 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.03 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 1.41 -0.83 -3.82 0.00 4.07 -1.26 -5.01 120.64 115.19 1b8t n GLU 129 Ca 0.09 0.20 -0.30 0.00 -0.06 0.00 0.00 57.16 57.09 1b8t n GLU 129 Cb 0.46 -2.74 -0.14 0.00 -0.06 0.00 0.00 31.44 28.95 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 -3.62 1.38 0.18 5.31 2.20 -1.24 -3.74 119.74 120.20 1b8t s LYS 130 Ca 0.07 -1.96 -0.10 0.00 -0.36 0.00 0.00 55.97 53.63 1b8t s LYS 130 Cb -0.01 -2.65 -0.07 0.00 -1.51 0.00 0.00 37.83 33.59 1b8t s LYS 130 CO 0.17 -1.08 0.51 0.54 -0.36 0.00 0.00 175.35 175.13 1b8t s VAL 131 N 0.52 4.97 -0.17 4.02 0.11 0.94 -4.87 120.40 125.93 1b8t s VAL 131 Ca 0.15 0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1b8t s VAL 131 Cb -0.23 -3.64 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1b8t s VAL 131 CO -0.06 0.05 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.07 1b8t s ILE 132 N -1.68 1.23 0.06 7.04 -1.09 -1.26 -1.36 121.20 124.15 1b8t s ILE 132 Ca 0.43 -0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 58.00 1b8t s ILE 132 Cb -0.12 -1.37 0.03 0.00 -1.58 0.00 0.00 42.46 39.41 1b8t s ILE 132 CO 0.21 0.16 0.36 -0.83 -1.23 0.00 0.00 174.94 173.61 1b8t s GLY 133 N 1.58 -0.20 -1.42 6.18 0.00 0.03 -4.92 107.32 108.56 1b8t s GLY 133 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 1b8t s GLY 133 CO -0.08 -0.15 0.33 0.00 0.00 0.00 0.00 173.10 173.20 1b8t n ALA 134 N 0.35 -2.06 -4.30 3.20 0.00 -1.26 0.29 120.51 116.73 1b8t n ALA 134 Ca -0.18 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1b8t n ALA 134 Cb 0.61 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.13 -0.33 3.48 0.00 0.00 -1.26 -4.86 105.19 100.09 1b8t n GLY 135 Ca -0.30 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -7.06 1.40 -0.02 1.61 -0.14 0.14 -5.17 119.74 110.50 1b8t s LYS 136 Ca 0.51 -1.25 0.06 0.00 -1.36 0.00 0.00 55.97 53.93 1b8t s LYS 136 Cb -0.29 0.43 -0.01 0.00 -1.68 0.00 0.00 37.83 36.28 1b8t s LYS 136 CO 0.97 -0.56 -0.20 0.45 -0.76 0.00 0.00 175.35 175.25 1b8t s SER 137 N -3.01 2.35 0.30 2.83 0.15 -1.26 -0.79 113.70 114.26 1b8t s SER 137 Ca 0.22 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1b8t s SER 137 Cb 0.01 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1b8t s SER 137 CO 0.06 0.23 0.66 0.26 1.20 0.00 0.00 173.24 175.65 1b8t s TRP 138 N -0.36 0.08 -0.05 3.44 0.52 -0.46 -4.11 118.94 117.99 1b8t s TRP 138 Ca 0.05 -0.54 -0.30 0.00 0.02 0.00 0.00 56.10 55.33 1b8t s TRP 138 Cb -0.09 0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 32.76 1b8t s TRP 138 CO -0.00 -1.24 1.20 -1.01 0.02 0.00 0.00 176.95 175.93 1b8t s HIS 139 N -3.59 3.19 0.66 -1.98 3.76 -1.26 -0.04 115.29 116.03 1b8t s HIS 139 Ca 0.16 1.21 0.29 0.00 -0.15 0.00 0.00 55.06 56.57 1b8t s HIS 139 Cb -0.04 -3.42 1.60 0.00 1.11 0.00 0.00 32.58 31.82 1b8t s HIS 139 CO 0.09 -1.32 1.91 -0.22 -0.85 0.00 0.00 174.74 174.34 1b8t h LYS 140 N 7.46 0.00 0.03 1.40 3.64 -1.89 0.49 116.57 127.70 1b8t h LYS 140 Ca -0.34 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1b8t h LYS 140 Cb 1.16 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1b8t h LYS 140 CO 0.88 0.00 -0.41 0.66 -2.27 0.00 0.00 179.45 178.31 1b8t h SER 141 N 0.00 0.31 0.32 4.20 4.64 -1.88 -3.38 113.55 117.77 1b8t h SER 141 Ca 0.01 -0.85 -0.02 0.00 -0.47 0.00 0.00 61.79 60.47 1b8t h SER 141 Cb 0.71 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1b8t h SER 141 CO -0.00 1.12 -0.16 0.00 -0.87 0.00 0.00 176.83 176.93 1b8t n PHE 143 N -4.57 0.21 -4.15 0.00 7.35 0.13 -4.82 117.46 111.61 1b8t n PHE 143 Ca -0.05 0.14 -0.15 0.00 -0.76 0.00 0.00 57.45 56.63 1b8t n PHE 143 Cb 0.17 -1.02 -0.13 0.00 0.35 0.00 0.00 39.48 38.86 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 5.18 0.57 -0.19 -4.13 1.70 -1.26 -1.38 118.95 119.44 1b8t s ARG 144 Ca 0.85 -0.57 -0.40 0.00 -0.47 0.00 0.00 55.73 55.14 1b8t s ARG 144 Cb -0.69 -0.45 -0.17 0.00 -0.57 0.00 0.00 34.95 33.06 1b8t s ARG 144 CO 0.33 0.11 1.55 0.00 -1.08 0.00 0.00 175.30 176.20 1b8t n ALA 146 N 4.00 4.10 0.00 0.00 0.00 -0.45 -0.15 120.51 128.01 1b8t n ALA 146 Ca 0.24 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1b8t n ALA 146 Cb 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.17 0.00 -0.01 0.00 3.00 -1.26 -4.86 118.16 114.85 1b8t n LYS 147 Ca 0.28 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.62 1b8t n LYS 147 Cb 0.98 -0.43 -0.08 0.00 0.00 0.00 0.00 35.03 35.49 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 1.98 0.48 3.58 0.00 0.00 0.78 -5.02 105.19 107.00 1b8t n GLY 149 Ca -0.05 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.65 3.72 0.19 1.61 2.47 -1.24 -4.69 119.74 120.16 1b8t s LYS 150 Ca 0.00 0.22 -0.32 0.00 -1.56 0.00 0.00 55.97 54.30 1b8t s LYS 150 Cb 0.00 -3.81 -0.15 0.00 -1.46 0.00 0.00 37.83 32.41 1b8t s LYS 150 CO 0.00 -0.82 1.28 -1.13 0.16 0.00 0.00 175.35 174.84 1b8t n SER 151 N 6.30 1.95 -2.90 1.43 3.41 -1.26 -0.94 113.62 121.60 1b8t n SER 151 Ca 0.02 1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 59.70 1b8t n SER 151 Cb 0.48 -1.30 0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1b8t n SER 151 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b8t n LEU 152 N 2.16 0.00 0.16 1.04 4.77 -0.48 -4.81 117.00 119.85 1b8t n LEU 152 Ca 0.14 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1b8t n LEU 152 Cb 0.27 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1b8t n LEU 152 CO 0.62 -0.57 0.00 -0.62 -1.33 0.00 0.00 177.39 175.48 1b8t n GLU 153 N -1.41 0.00 -3.63 3.23 1.02 -1.26 -4.82 120.64 113.77 1b8t n GLU 153 Ca 0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1b8t n GLU 153 Cb 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.55 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1b8t s SER 154 N -4.63 -0.12 0.36 1.62 0.15 -1.26 -4.86 113.70 104.96 1b8t s SER 154 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1b8t s SER 154 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1b8t s SER 154 CO 0.00 -0.09 0.00 0.41 1.20 0.00 0.00 173.24 174.76 1b8t n THR 155 N 0.87 0.00 -2.63 6.45 -1.04 -1.26 -4.78 114.28 111.90 1b8t n THR 155 Ca -0.05 0.29 -0.10 0.00 -2.04 0.00 0.00 64.05 62.15 1b8t n THR 155 Cb 0.58 -0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 68.40 1b8t n THR 155 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1b8t n THR 156 N -3.88 -0.41 -4.73 12.58 5.66 -1.26 -4.90 114.28 117.33 1b8t n THR 156 Ca -0.02 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.65 1b8t n THR 156 Cb 0.54 -1.10 -0.13 0.00 -1.55 0.00 0.00 70.33 68.09 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 -5.54 2.85 -0.57 1.09 0.05 -1.26 -1.15 118.68 114.16 1b8t s LEU 157 Ca 0.07 -0.23 -0.18 0.00 0.05 0.00 0.00 54.13 53.84 1b8t s LEU 157 Cb -0.04 -1.63 0.11 0.00 -2.05 0.00 0.00 46.19 42.58 1b8t s LEU 157 CO 0.08 0.23 0.61 0.00 -0.55 0.00 0.00 176.35 176.73 1b8t s ALA 158 N -0.02 3.51 -0.76 1.48 0.00 0.10 -4.86 121.76 121.21 1b8t s ALA 158 Ca -0.02 -2.34 -0.23 0.00 0.00 0.00 0.00 51.96 49.37 1b8t s ALA 158 Cb -0.14 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.64 1b8t s ALA 158 CO 0.04 -2.19 1.11 0.16 0.00 0.00 0.00 175.76 174.88 1b8t s ASP 159 N 3.57 6.28 -0.74 0.00 -4.77 -1.26 -0.45 116.67 119.30 1b8t s ASP 159 Ca 0.08 -1.09 -0.21 0.00 -3.30 0.00 0.00 52.55 48.03 1b8t s ASP 159 Cb -0.26 -2.46 0.10 0.00 -1.09 0.00 0.00 42.92 39.20 1b8t s ASP 159 CO 0.05 -1.48 0.97 -0.75 0.70 0.00 0.00 175.17 174.67 1b8t s LYS 160 N 4.31 3.27 0.84 2.11 2.47 0.16 -4.81 119.74 128.09 1b8t s LYS 160 Ca 0.29 -1.24 0.00 0.00 -1.56 0.00 0.00 55.97 53.46 1b8t s LYS 160 Cb -0.11 -4.47 0.00 0.00 -1.46 0.00 0.00 37.83 31.79 1b8t s LYS 160 CO 0.06 -1.75 0.00 -0.25 0.16 0.00 0.00 175.35 173.57 1b8t n ASP 161 N 7.06 0.00 -0.02 1.43 9.92 -1.26 -0.09 116.55 133.59 1b8t n ASP 161 Ca 0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.29 1b8t n ASP 161 Cb 0.46 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b8t n GLY 162 N 0.00 -0.16 3.82 0.44 0.00 -1.26 -4.86 105.19 103.17 1b8t n GLY 162 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.08 2.48 -0.01 1.61 8.01 0.87 -4.93 118.70 124.64 1b8t s GLU 163 Ca -0.02 0.75 0.00 0.00 0.01 0.00 0.00 54.97 55.71 1b8t s GLU 163 Cb 0.01 -1.95 0.02 0.00 -4.31 0.00 0.00 34.13 27.89 1b8t s GLU 163 CO 0.14 -1.37 0.01 0.96 0.01 0.00 0.00 175.26 175.01 1b8t s ILE 164 N -3.13 -0.02 0.17 -1.63 -0.00 -1.26 0.37 121.20 115.70 1b8t s ILE 164 Ca 0.59 0.12 0.03 0.00 -0.00 0.00 0.00 60.65 61.39 1b8t s ILE 164 Cb -0.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 42.46 42.24 1b8t s ILE 164 CO 0.54 0.06 0.10 -1.22 -0.00 0.00 0.00 174.94 174.42 1b8t n TYR 165 N 3.71 -0.15 -3.80 1.37 4.01 0.41 -1.34 117.16 121.37 1b8t n TYR 165 Ca -0.21 -1.22 -0.35 0.00 -0.16 0.00 0.00 57.90 55.96 1b8t n TYR 165 Cb 0.54 0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 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 4.25 0.35 -0.50 0.00 3.11 -1.47 1.63 116.57 123.95 1b8t h LYS 167 Ca -0.51 -0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.43 1b8t h LYS 167 Cb 1.20 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.33 1b8t h LYS 167 CO 0.64 0.23 0.35 0.78 -2.81 0.00 0.00 179.45 178.64 1b8t h GLY 168 N 0.36 0.21 0.26 5.01 0.00 -1.93 0.43 103.07 107.41 1b8t h GLY 168 Ca 0.67 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.81 1b8t h GLY 168 CO -0.58 0.03 -0.67 0.00 0.00 0.00 0.00 176.54 175.32 1b8t h TYR 170 N -0.73 0.06 0.00 0.00 3.20 0.05 0.46 116.97 120.02 1b8t h TYR 170 Ca -0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1b8t h TYR 170 Cb 1.34 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1b8t h TYR 170 CO 0.20 0.03 -0.17 0.00 -1.64 0.00 0.00 178.16 176.58 1b8t h ALA 171 N 1.80 0.00 -0.03 1.82 0.00 -0.25 -3.28 119.26 119.31 1b8t h ALA 171 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1b8t h ALA 171 Cb 0.69 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1b8t h ALA 171 CO -0.01 0.17 -0.12 0.87 0.00 0.00 0.00 179.25 180.16 1b8t h LYS 172 N -0.49 -0.12 -1.77 0.00 1.79 -0.99 0.43 116.57 115.41 1b8t h LYS 172 Ca 0.00 0.01 0.53 0.00 -2.18 0.00 0.00 60.65 59.01 1b8t h LYS 172 Cb 0.17 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.76 1b8t h LYS 172 CO 0.00 -0.08 1.25 -1.71 -1.08 0.00 0.00 179.45 177.83 1b8t n ASN 173 N -3.20 0.05 -2.87 0.86 2.85 0.16 0.12 115.26 113.22 1b8t n ASN 173 Ca -0.01 1.04 -0.29 0.00 -0.11 0.00 0.00 54.58 55.21 1b8t n ASN 173 Cb 0.08 -0.52 -0.02 0.00 1.24 0.00 0.00 39.78 40.57 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 -4.01 3.74 -3.27 1.20 3.01 0.14 -4.86 117.46 113.41 1b8t n PHE 174 Ca 0.42 -3.57 -0.25 0.00 1.01 0.00 0.00 57.45 55.06 1b8t n PHE 174 Cb 1.84 -0.46 -0.07 0.00 -0.01 0.00 0.00 39.48 40.77 1b8t n PHE 174 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b8t n GLY 175 N -0.31 3.34 3.71 1.37 0.00 0.31 -4.78 105.19 108.83 1b8t n GLY 175 Ca 0.35 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 1.33 -2.22 0.08 1.61 -0.04 -1.26 -5.01 135.00 129.49 1b8t n PRO 176 Ca 0.24 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1b8t n PRO 176 Cb 0.50 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -4.35 0.00 -3.30 0.54 4.81 -1.26 -5.10 118.16 109.50 1b8t n LYS 177 Ca 0.16 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.63 1b8t n LYS 177 Cb 0.59 -0.11 -0.02 0.00 0.02 0.00 0.00 35.03 35.51 1b8t n LYS 177 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1b8t s GLY 178 N -4.32 -0.70 -0.03 3.14 0.00 -1.26 -5.16 107.32 98.99 1b8t s GLY 178 Ca 0.00 2.30 0.03 0.00 0.00 0.00 0.00 44.72 47.05 1b8t s GLY 178 CO 0.00 3.37 -0.10 -0.12 0.00 0.00 0.00 173.10 176.24 1b8t s PHE 179 N 2.83 1.07 0.10 1.90 2.19 -1.26 -5.15 117.98 119.66 1b8t s PHE 179 Ca 0.08 -0.27 -0.03 0.00 0.33 0.00 0.00 56.93 57.04 1b8t s PHE 179 Cb -0.12 -0.74 -0.03 0.00 -1.31 0.00 0.00 43.02 40.81 1b8t s PHE 179 CO -0.18 -0.10 0.07 0.20 1.83 0.00 0.00 175.22 177.04 1b8t s GLY 180 N 0.11 0.65 -0.24 13.12 0.00 -1.26 -5.17 107.32 114.54 1b8t s GLY 180 Ca -0.02 -1.22 -0.26 0.00 0.00 0.00 0.00 44.72 43.22 1b8t s GLY 180 CO 0.01 -1.22 0.96 -1.36 0.00 0.00 0.00 173.10 171.48 1b8t s PHE 181 N -3.98 -0.51 0.25 1.90 0.08 -1.26 -5.18 117.98 109.29 1b8t s PHE 181 Ca 0.16 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1b8t s PHE 181 Cb 0.07 0.37 -0.00 0.00 -0.57 0.00 0.00 43.02 42.89 1b8t s PHE 181 CO -0.04 -0.30 0.01 0.41 -0.10 0.00 0.00 175.22 175.21 1b8t n GLY 182 N 1.88 3.84 3.96 4.36 0.00 -1.26 -5.15 105.19 112.81 1b8t n GLY 182 Ca -0.13 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.92 3.09 -0.06 1.61 -0.44 -1.26 -5.06 119.66 114.61 1b8t s GLN 183 Ca 0.02 -0.53 -0.07 0.00 -2.50 0.00 0.00 55.36 52.27 1b8t s GLN 183 Cb 0.00 -2.59 -0.02 0.00 -1.64 0.00 0.00 33.01 28.76 1b8t s GLN 183 CO 0.01 -0.22 -0.14 0.41 0.50 0.00 0.00 175.29 175.85 1b8t n GLY 184 N -2.03 -0.40 1.39 2.59 0.00 -1.26 -5.12 105.19 100.36 1b8t n GLY 184 Ca 0.01 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.36 -3.63 0.00 4.61 0.00 -1.26 -5.06 120.51 111.81 1b8t n ALA 185 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1b8t n ALA 185 Cb 0.20 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -4.25 -1.36 1.27 0.00 0.00 -1.26 -5.16 105.19 94.43 1b8t n GLY 186 Ca -0.06 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.58 1b8t n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t n ALA 187 N 0.00 -2.56 -2.79 4.61 0.00 -1.26 -4.94 120.51 113.57 1b8t n ALA 187 Ca 0.00 0.63 -0.10 0.00 0.00 0.00 0.00 53.44 53.97 1b8t n ALA 187 Cb 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 18.19 1b8t n ALA 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1b8t n LEU 188 N -3.31 -1.37 -1.49 0.00 -0.00 -1.26 -5.11 117.00 104.47 1b8t n LEU 188 Ca -0.05 -3.85 0.00 0.00 -0.00 0.00 0.00 56.01 52.12 1b8t n LEU 188 Cb 0.51 0.60 0.00 0.00 -0.00 0.00 0.00 43.42 44.53 1b8t n LEU 188 CO 0.02 2.02 -0.41 -0.38 -0.00 0.00 0.00 177.39 178.64 1b8t n ILE 189 N 0.04 -4.96 0.09 1.47 5.41 -1.26 -5.05 119.36 115.10 1b8t n ILE 189 Ca 0.07 2.20 0.00 0.00 1.00 0.00 0.00 62.75 66.02 1b8t n ILE 189 Cb 0.75 -3.03 0.00 0.00 -0.71 0.00 0.00 39.64 36.65 1b8t n ILE 189 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1b8t n HIS 190 N -0.44 -1.32 -3.25 1.39 8.25 -1.26 -5.10 115.22 113.48 1b8t n HIS 190 Ca 0.00 0.23 -0.19 0.00 -0.26 0.00 0.00 57.72 57.50 1b8t n HIS 190 Cb 0.00 0.36 0.02 0.00 1.12 0.00 0.00 29.99 31.49 1b8t n HIS 190 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1b8t n SER 191 N -3.30 -6.38 0.00 0.41 7.64 -1.26 -5.34 113.62 105.40 1b8t n SER 191 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1b8t n SER 191 Cb 0.00 -2.41 0.00 0.00 -1.01 0.00 0.00 64.21 60.79 1b8t n SER 191 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70