#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 3.98 -0.02 0.03 0.04 -1.26 -4.99 135.00 132.79 1b8t s PRO 2 Ca 0.00 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1b8t s PRO 2 Cb 0.00 -3.87 0.02 0.00 0.04 0.00 0.00 34.50 30.69 1b8t s PRO 2 CO 0.00 -1.04 0.26 -0.80 0.04 0.00 0.00 177.00 175.47 1b8t s ASN 3 N 2.74 -0.14 -0.29 6.66 -0.87 -1.26 -5.13 114.94 116.64 1b8t s ASN 3 Ca 0.57 0.05 -0.13 0.00 -1.57 0.00 0.00 52.86 51.78 1b8t s ASN 3 Cb -0.19 0.31 -0.04 0.00 -0.02 0.00 0.00 41.25 41.31 1b8t s ASN 3 CO 0.22 -0.40 0.29 0.26 -2.57 0.00 0.00 177.10 174.89 1b8t s TRP 4 N -1.23 3.23 -0.03 2.20 0.51 -1.26 -4.98 118.94 117.37 1b8t s TRP 4 Ca -0.13 0.18 -0.09 0.00 -2.12 0.00 0.00 56.10 53.94 1b8t s TRP 4 Cb -0.06 -2.50 -0.05 0.00 -0.81 0.00 0.00 33.47 30.05 1b8t s TRP 4 CO 0.03 -0.24 0.45 0.78 -0.51 0.00 0.00 176.95 177.46 1b8t h GLY 5 N 8.53 -0.33 0.00 0.98 0.00 -2.00 -3.49 103.07 106.75 1b8t h GLY 5 Ca -0.33 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1b8t h GLY 5 CO 0.61 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1b8t n GLY 6 N 0.77 3.03 0.00 4.60 0.00 -1.26 -5.16 105.19 107.17 1b8t n GLY 6 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.44 1.53 3.67 -0.02 0.00 -1.22 -4.94 105.19 103.76 1b8t n GLY 7 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1b8t n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b8t s LYS 8 N 0.93 2.09 -0.21 1.61 2.47 -0.33 -4.94 119.74 121.36 1b8t s LYS 8 Ca 0.00 -2.31 0.01 0.00 -1.56 0.00 0.00 55.97 52.11 1b8t s LYS 8 Cb 0.00 -1.20 0.04 0.00 -1.46 0.00 0.00 37.83 35.22 1b8t s LYS 8 CO 0.00 -0.40 -0.11 0.21 0.16 0.00 0.00 175.35 175.21 1b8t s LYS 9 N -3.81 2.16 -0.58 4.03 2.20 -1.26 -0.15 119.74 122.32 1b8t s LYS 9 Ca 0.13 -0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 54.54 1b8t s LYS 9 Cb 0.02 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.87 1b8t s LYS 9 CO 0.08 -0.43 1.18 0.00 -0.36 0.00 0.00 175.35 175.82 1b8t n GLY 11 N 5.07 -1.00 0.03 0.00 0.00 -1.20 -0.11 105.19 107.99 1b8t n GLY 11 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.72 0.61 0.13 1.61 0.31 -1.26 -4.55 118.33 114.46 1b8t n VAL 12 Ca 0.10 0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.87 1b8t n VAL 12 Cb 0.05 -1.87 0.04 0.00 -0.91 0.00 0.00 33.84 31.15 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 -3.02 0.00 -4.38 0.00 0.00 0.84 -5.07 117.38 105.75 1b8t n GLN 14 Ca -0.00 0.04 -0.25 0.00 -0.00 0.00 0.00 57.00 56.79 1b8t n GLN 14 Cb 0.67 -2.89 -0.09 0.00 0.00 0.00 0.00 30.24 27.92 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 -3.28 1.90 0.16 3.69 2.20 -1.06 -4.90 119.74 118.45 1b8t s LYS 15 Ca 0.00 -1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 53.78 1b8t s LYS 15 Cb 0.00 -1.97 -0.07 0.00 -1.51 0.00 0.00 37.83 34.28 1b8t s LYS 15 CO 0.00 0.37 1.02 0.00 -0.36 0.00 0.00 175.35 176.38 1b8t s ALA 16 N -2.17 3.31 0.19 3.13 0.00 -1.26 -0.04 121.76 124.92 1b8t s ALA 16 Ca 0.28 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.94 1b8t s ALA 16 Cb -0.07 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1b8t s ALA 16 CO 0.16 -0.08 0.35 0.08 0.00 0.00 0.00 175.76 176.26 1b8t s VAL 17 N -0.26 5.26 0.03 0.00 1.01 0.79 -4.86 120.40 122.37 1b8t s VAL 17 Ca 0.47 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1b8t s VAL 17 Cb -0.26 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1b8t s VAL 17 CO 0.32 -0.17 0.01 -0.47 0.00 0.00 0.00 175.10 174.79 1b8t s TYR 18 N -1.84 0.31 -0.69 5.22 5.04 -1.26 -1.19 117.35 122.94 1b8t s TYR 18 Ca 0.36 -0.65 -0.26 0.00 -2.44 0.00 0.00 57.07 54.07 1b8t s TYR 18 Cb -0.11 -0.23 -0.13 0.00 0.35 0.00 0.00 41.96 41.84 1b8t s TYR 18 CO 0.29 -0.29 2.48 0.34 -1.34 0.00 0.00 175.55 177.04 1b8t n PHE 19 N 1.00 1.09 0.00 4.97 7.35 -1.26 -3.27 117.46 127.34 1b8t n PHE 19 Ca -0.20 0.17 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1b8t n PHE 19 Cb 0.57 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.95 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 14.28 0.00 -2.72 3.13 0.00 -1.26 -4.99 120.51 128.95 1b8t n ALA 20 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 1b8t n ALA 20 Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.88 1b8t n ALA 20 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b8t n GLU 21 N 0.00 1.14 -3.38 0.00 0.28 -1.20 -5.09 120.64 112.38 1b8t n GLU 21 Ca 0.00 -2.77 -0.38 0.00 -0.16 0.00 0.00 57.16 53.85 1b8t n GLU 21 Cb 0.00 -0.91 -0.06 0.00 1.43 0.00 0.00 31.44 31.90 1b8t n GLU 21 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1b8t s GLU 22 N -1.91 4.19 -0.20 3.44 2.12 -1.26 -0.84 118.70 124.24 1b8t s GLU 22 Ca 0.26 0.45 0.01 0.00 0.36 0.00 0.00 54.97 56.05 1b8t s GLU 22 Cb 0.43 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 31.50 1b8t s GLU 22 CO -0.01 0.38 -0.18 0.08 -0.54 0.00 0.00 175.26 174.99 1b8t s VAL 23 N -0.10 2.08 0.40 3.70 1.01 0.09 -4.86 120.40 122.71 1b8t s VAL 23 Ca 0.25 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1b8t s VAL 23 Cb -0.16 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1b8t s VAL 23 CO 0.12 0.41 0.70 0.00 0.00 0.00 0.00 175.10 176.33 1b8t s GLN 24 N 1.25 3.63 -0.00 2.72 1.03 -1.26 -0.92 119.66 126.11 1b8t s GLN 24 Ca 0.02 0.18 -0.01 0.00 0.04 0.00 0.00 55.36 55.60 1b8t s GLN 24 Cb -0.15 -2.48 -0.00 0.00 0.03 0.00 0.00 33.01 30.42 1b8t s GLN 24 CO -0.11 -0.01 0.01 0.00 -2.54 0.00 0.00 175.29 172.64 1b8t n GLU 26 N 2.82 -0.14 -2.54 0.00 -0.58 -1.26 -1.34 120.64 117.60 1b8t n GLU 26 Ca -0.14 1.30 -0.17 0.00 -0.42 0.00 0.00 57.16 57.73 1b8t n GLU 26 Cb 0.59 -1.94 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.46 3.93 0.00 0.62 0.00 -1.26 -5.06 105.19 101.95 1b8t n GLY 27 Ca 0.11 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1b8t n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b8t n SER 28 N -0.34 0.00 -3.63 1.61 2.88 -0.45 -4.96 113.62 108.72 1b8t n SER 28 Ca 0.25 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1b8t n SER 28 Cb 0.76 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.16 1b8t n SER 28 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1b8t s SER 29 N -1.17 -0.35 0.30 -3.46 1.04 -1.26 0.24 113.70 109.03 1b8t s SER 29 Ca 0.00 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 1b8t s SER 29 Cb 0.00 1.16 -0.01 0.00 0.10 0.00 0.00 66.02 67.27 1b8t s SER 29 CO 0.00 -0.09 0.37 -0.36 0.98 0.00 0.00 173.24 174.14 1b8t s PHE 30 N 1.30 1.12 1.07 5.02 0.08 -0.10 -3.23 117.98 123.24 1b8t s PHE 30 Ca -0.08 -1.30 -0.14 0.00 0.12 0.00 0.00 56.93 55.53 1b8t s PHE 30 Cb -0.03 -0.27 0.22 0.00 -0.57 0.00 0.00 43.02 42.37 1b8t s PHE 30 CO -0.13 -0.96 1.09 -1.01 -0.10 0.00 0.00 175.22 174.11 1b8t s HIS 31 N -3.51 1.69 0.10 0.36 3.76 -1.26 -0.73 115.29 115.70 1b8t s HIS 31 Ca 0.33 0.89 -0.15 0.00 -0.15 0.00 0.00 55.06 55.98 1b8t s HIS 31 Cb 0.02 -3.29 -0.09 0.00 1.11 0.00 0.00 32.58 30.34 1b8t s HIS 31 CO 0.18 -3.23 1.42 -0.22 -0.85 0.00 0.00 174.74 172.04 1b8t h LYS 32 N -2.14 0.70 -1.33 1.40 3.11 -1.32 -2.89 116.57 114.09 1b8t h LYS 32 Ca -0.54 -0.36 -0.34 0.00 -2.81 0.00 0.00 60.65 56.60 1b8t h LYS 32 Cb 1.33 0.01 -0.16 0.00 -1.00 0.00 0.00 32.23 32.41 1b8t h LYS 32 CO 0.53 0.98 0.44 0.43 -2.81 0.00 0.00 179.45 179.01 1b8t n SER 33 N -4.27 5.70 0.00 4.20 7.64 -1.26 -3.79 113.62 121.83 1b8t n SER 33 Ca -0.04 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1b8t n SER 33 Cb 0.47 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1b8t n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b8t n PHE 35 N -2.62 0.69 -3.69 0.00 -0.00 -1.15 -4.79 117.46 105.89 1b8t n PHE 35 Ca 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.45 57.33 1b8t n PHE 35 Cb 0.30 -1.79 -0.10 0.00 -0.00 0.00 0.00 39.48 37.89 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 9.24 -0.17 -0.36 -2.13 0.20 -1.26 -1.48 118.68 122.70 1b8t s LEU 36 Ca 1.01 0.94 -0.37 0.00 0.69 0.00 0.00 54.13 56.40 1b8t s LEU 36 Cb -0.37 1.42 -0.13 0.00 -0.43 0.00 0.00 46.19 46.69 1b8t s LEU 36 CO 0.25 -0.20 2.14 0.00 -0.29 0.00 0.00 176.35 178.25 1b8t n MET 38 N 7.82 0.81 0.00 0.00 2.81 -0.19 -0.15 117.12 128.23 1b8t n MET 38 Ca 0.42 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1b8t n MET 38 Cb 0.18 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.53 0.00 0.19 2.03 0.31 -1.26 -4.69 118.33 114.37 1b8t n VAL 39 Ca 0.01 0.24 0.07 0.00 -0.01 0.00 0.00 64.34 64.65 1b8t n VAL 39 Cb 0.01 -1.19 0.32 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.42 0.00 -3.58 0.00 0.00 0.79 -5.04 118.16 106.91 1b8t n LYS 41 Ca 0.00 0.21 -0.36 0.00 0.00 0.00 0.00 58.31 58.16 1b8t n LYS 41 Cb 0.52 -2.96 -0.08 0.00 0.00 0.00 0.00 35.03 32.52 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 -2.40 4.21 0.49 1.64 2.20 -1.18 -4.81 119.74 119.90 1b8t s LYS 42 Ca 0.00 -0.01 -0.24 0.00 -0.36 0.00 0.00 55.97 55.37 1b8t s LYS 42 Cb 0.00 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1b8t s LYS 42 CO 0.00 0.20 1.39 -0.80 -0.36 0.00 0.00 175.35 175.78 1b8t s ASN 43 N 0.58 5.64 -0.02 1.43 -0.87 -1.26 0.31 114.94 120.76 1b8t s ASN 43 Ca 0.14 2.84 0.06 0.00 -1.57 0.00 0.00 52.86 54.33 1b8t s ASN 43 Cb -0.13 -2.65 -0.01 0.00 -0.02 0.00 0.00 41.25 38.44 1b8t s ASN 43 CO 0.03 -1.33 -0.19 -0.76 -2.57 0.00 0.00 177.10 172.28 1b8t s LEU 44 N -3.05 2.03 -0.31 0.60 1.43 -0.55 -4.76 118.68 114.07 1b8t s LEU 44 Ca 0.65 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.30 1b8t s LEU 44 Cb -0.42 -0.98 0.21 0.00 0.03 0.00 0.00 46.19 45.02 1b8t s LEU 44 CO 0.52 0.23 1.15 -1.81 0.23 0.00 0.00 176.35 176.67 1b8t s ASP 45 N -0.43 -0.10 0.00 2.29 1.01 -1.26 -4.58 116.67 113.60 1b8t s ASP 45 Ca 0.07 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.23 1b8t s ASP 45 Cb -0.08 0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.99 1b8t s ASP 45 CO -0.01 -0.01 0.00 -1.20 0.21 0.00 0.00 175.17 174.17 1b8t n SER 46 N 2.91 0.00 -1.20 0.27 7.64 -1.26 -5.16 113.62 116.82 1b8t n SER 46 Ca 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.95 1b8t n SER 46 Cb 0.66 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1b8t n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1b8t n THR 47 N 0.00 0.00 -2.17 0.44 -2.24 -1.26 -4.92 114.28 104.13 1b8t n THR 47 Ca 0.00 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1b8t n THR 47 Cb 0.00 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1b8t n THR 47 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b8t n THR 48 N -0.06 -0.55 -4.08 4.28 -2.24 -1.26 -4.91 114.28 105.46 1b8t n THR 48 Ca -0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 1b8t n THR 48 Cb 0.06 -2.05 -0.06 0.00 -2.10 0.00 0.00 70.33 66.18 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 -2.66 4.39 0.18 2.28 0.11 -1.26 0.23 120.40 123.66 1b8t s VAL 49 Ca 0.00 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1b8t s VAL 49 Cb 0.00 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 1b8t s VAL 49 CO 0.00 0.02 0.04 0.00 -3.33 0.00 0.00 175.10 171.82 1b8t s ALA 50 N -1.54 1.27 0.46 1.54 0.00 0.13 -4.73 121.76 118.89 1b8t s ALA 50 Ca 0.29 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1b8t s ALA 50 Cb -0.11 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 1b8t s ALA 50 CO 0.22 -0.40 0.01 0.08 0.00 0.00 0.00 175.76 175.67 1b8t s VAL 51 N -3.80 1.57 -0.32 0.00 1.01 -1.26 -1.34 120.40 116.26 1b8t s VAL 51 Ca 0.27 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.21 1b8t s VAL 51 Cb 0.07 -2.58 0.19 0.00 0.00 0.00 0.00 36.38 34.06 1b8t s VAL 51 CO 0.05 0.00 0.88 -2.28 0.00 0.00 0.00 175.10 173.75 1b8t s HIS 52 N -2.80 -0.95 0.00 5.22 5.04 0.94 -4.71 115.29 118.03 1b8t s HIS 52 Ca 0.20 0.38 0.00 0.00 -1.54 0.00 0.00 55.06 54.10 1b8t s HIS 52 Cb 0.06 0.17 0.00 0.00 0.04 0.00 0.00 32.58 32.85 1b8t s HIS 52 CO 0.10 -0.59 0.00 0.41 -2.34 0.00 0.00 174.74 172.32 1b8t n GLY 53 N 4.66 3.29 1.87 1.59 0.00 -1.26 0.27 105.19 115.61 1b8t n GLY 53 Ca 0.08 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1b8t n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8t n ASP 54 N 4.64 5.21 -3.79 1.61 8.00 -1.26 -4.85 116.55 126.10 1b8t n ASP 54 Ca 0.00 -3.10 -0.11 0.00 0.71 0.00 0.00 54.79 52.29 1b8t n ASP 54 Cb 0.00 -0.88 -0.08 0.00 -0.02 0.00 0.00 41.12 40.14 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1b8t s GLU 55 N -2.11 0.76 0.04 -1.24 0.41 0.14 -4.76 118.70 111.94 1b8t s GLU 55 Ca 0.36 -0.57 0.08 0.00 -0.41 0.00 0.00 54.97 54.44 1b8t s GLU 55 Cb 0.29 0.32 -0.03 0.00 -1.78 0.00 0.00 34.13 32.94 1b8t s GLU 55 CO 0.03 -0.24 -0.23 0.96 -0.49 0.00 0.00 175.26 175.29 1b8t s ILE 56 N -2.59 2.39 0.00 -1.63 -5.25 -1.26 -0.04 121.20 112.82 1b8t s ILE 56 Ca -0.05 -1.29 -0.05 0.00 -0.99 0.00 0.00 60.65 58.27 1b8t s ILE 56 Cb -0.01 -1.95 -0.00 0.00 2.95 0.00 0.00 42.46 43.44 1b8t s ILE 56 CO -0.04 0.37 0.09 -0.31 -1.79 0.00 0.00 174.94 173.27 1b8t s TYR 57 N -0.84 0.08 0.46 1.37 2.02 -0.45 -1.02 117.35 118.97 1b8t s TYR 57 Ca 0.13 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.54 1b8t s TYR 57 Cb -0.10 -0.07 -0.06 0.00 -0.40 0.00 0.00 41.96 41.33 1b8t s TYR 57 CO 0.03 -0.24 0.84 0.00 -1.57 0.00 0.00 175.55 174.61 1b8t n LYS 59 N -1.65 -0.01 -0.02 0.00 4.81 0.14 -0.44 118.16 120.99 1b8t n LYS 59 Ca 0.03 0.97 -0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1b8t n LYS 59 Cb 0.54 -1.45 -0.00 0.00 0.02 0.00 0.00 35.03 34.14 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1b8t n SER 60 N -3.00 -0.04 -0.33 3.14 2.88 -1.26 0.11 113.62 115.11 1b8t n SER 60 Ca 0.00 0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 58.08 1b8t n SER 60 Cb 0.01 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.11 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 -0.11 -1.11 0.00 0.00 3.20 0.35 1.63 116.97 120.94 1b8t h TYR 62 Ca 0.18 0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1b8t h TYR 62 Cb 0.50 0.59 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 1b8t h TYR 62 CO -0.90 -0.40 -0.00 0.78 -1.64 0.00 0.00 178.16 176.00 1b8t h GLY 63 N -0.13 0.00 0.39 1.82 0.00 0.30 0.13 103.07 105.58 1b8t h GLY 63 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 1b8t h GLY 63 CO -0.78 0.00 -0.38 1.70 0.00 0.00 0.00 176.54 177.07 1b8t h LYS 64 N 0.00 0.17 0.20 4.80 3.64 0.62 0.39 116.57 126.38 1b8t h LYS 64 Ca -0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1b8t h LYS 64 Cb 0.16 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1b8t h LYS 64 CO 0.00 1.08 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.94 1b8t h LYS 65 N -0.62 -0.26 -0.08 1.90 3.11 0.35 -3.26 116.57 117.72 1b8t h LYS 65 Ca -0.06 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1b8t h LYS 65 Cb 1.25 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.54 1b8t h LYS 65 CO 0.07 0.04 -0.02 1.88 -2.81 0.00 0.00 179.45 178.61 1b8t h TYR 66 N -0.56 0.18 -6.45 1.91 0.05 -0.91 -3.48 116.97 107.71 1b8t h TYR 66 Ca -0.03 -0.04 -0.32 0.00 0.05 0.00 0.00 58.73 58.39 1b8t h TYR 66 Cb 0.42 -0.04 0.02 0.00 1.01 0.00 0.00 36.73 38.13 1b8t h TYR 66 CO 0.02 0.49 -1.15 0.41 -1.05 0.00 0.00 178.16 176.88 1b8t n GLY 67 N -0.08 0.02 0.12 3.88 0.00 0.14 -4.90 105.19 104.36 1b8t n GLY 67 Ca -0.07 1.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.83 1b8t n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b8t h PRO 68 N 2.28 0.29 -4.98 1.61 0.13 -1.94 -3.45 132.00 125.93 1b8t h PRO 68 Ca -0.46 -0.28 -0.50 0.00 -0.87 0.00 0.00 66.00 63.88 1b8t h PRO 68 Cb 1.33 0.07 -0.31 0.00 0.13 0.00 0.00 31.00 32.22 1b8t h PRO 68 CO 0.20 0.97 -0.82 -1.59 -0.23 0.00 0.00 178.00 176.53 1b8t s LYS 69 N -3.31 1.42 0.00 0.86 -2.85 -1.26 -5.15 119.74 109.45 1b8t s LYS 69 Ca -0.15 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 1b8t s LYS 69 Cb 0.02 -1.26 0.00 0.00 -2.06 0.00 0.00 37.83 34.53 1b8t s LYS 69 CO 0.77 0.18 0.00 0.41 0.10 0.00 0.00 175.35 176.82 1b8t n GLY 70 N 3.22 0.75 3.68 0.59 0.00 -1.26 -5.14 105.19 107.02 1b8t n GLY 70 Ca -0.18 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 1b8t n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s LYS 71 N 1.17 1.58 0.06 1.61 0.00 -1.26 -5.19 119.74 117.71 1b8t s LYS 71 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 55.97 54.92 1b8t s LYS 71 Cb 0.00 0.60 0.10 0.00 0.00 0.00 0.00 37.83 38.53 1b8t s LYS 71 CO 0.00 -0.71 1.16 0.20 0.00 0.00 0.00 175.35 176.00 1b8t s GLY 72 N -2.85 -0.26 0.05 0.59 0.00 -1.26 -5.19 107.32 98.40 1b8t s GLY 72 Ca 0.07 0.32 -0.28 0.00 0.00 0.00 0.00 44.72 44.82 1b8t s GLY 72 CO -0.01 1.04 1.16 -1.59 0.00 0.00 0.00 173.10 173.70 1b8t s LYS 73 N -2.58 0.71 0.00 2.90 -2.85 -1.26 -5.19 119.74 111.47 1b8t s LYS 73 Ca 0.16 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.74 1b8t s LYS 73 Cb 0.01 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1b8t s LYS 73 CO -0.01 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1b8t n GLY 74 N -0.50 5.31 3.61 0.59 0.00 -1.26 -5.19 105.19 107.75 1b8t n GLY 74 Ca -0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 46.02 44.67 1b8t n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8t s MET 75 N 1.56 0.23 0.00 1.61 1.75 -1.26 -5.18 119.30 118.00 1b8t s MET 75 Ca 0.00 -0.10 0.00 0.00 -1.25 0.00 0.00 55.69 54.34 1b8t s MET 75 Cb 0.00 0.09 0.00 0.00 2.84 0.00 0.00 34.83 37.76 1b8t s MET 75 CO 0.00 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.68 1b8t n GLY 76 N -0.23 2.56 3.15 2.11 0.00 -1.26 -5.14 105.19 106.38 1b8t n GLY 76 Ca -0.02 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 44.04 1b8t n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 77 N -2.13 -3.97 0.21 4.61 0.00 -1.26 -5.17 121.76 114.04 1b8t s ALA 77 Ca 0.00 1.36 0.11 0.00 0.00 0.00 0.00 51.96 53.44 1b8t s ALA 77 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1b8t s ALA 77 CO 0.00 -1.80 -0.23 0.20 0.00 0.00 0.00 175.76 173.93 1b8t s GLY 78 N 2.97 1.74 -0.28 0.00 0.00 -1.26 -5.14 107.32 105.36 1b8t s GLY 78 Ca 0.12 -1.67 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 1b8t s GLY 78 CO -0.16 -1.70 0.72 -1.08 0.00 0.00 0.00 173.10 170.89 1b8t s THR 79 N -1.80 0.00 -0.21 0.90 -1.32 -1.26 -5.15 115.64 106.80 1b8t s THR 79 Ca 0.22 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.62 1b8t s THR 79 Cb -0.08 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.01 1b8t s THR 79 CO 0.11 0.00 0.46 -0.22 -2.21 0.00 0.00 174.62 172.76 1b8t s LEU 80 N 1.05 -0.65 -0.30 9.08 1.98 -1.26 -5.14 118.68 123.45 1b8t s LEU 80 Ca -0.05 1.09 -0.17 0.00 -2.89 0.00 0.00 54.13 52.11 1b8t s LEU 80 Cb -0.05 1.53 0.18 0.00 0.66 0.00 0.00 46.19 48.51 1b8t s LEU 80 CO -0.11 -0.22 1.10 -0.94 -1.89 0.00 0.00 176.35 174.29 1b8t s SER 81 N 2.43 -0.37 0.17 3.68 1.04 -1.26 -5.18 113.70 114.21 1b8t s SER 81 Ca -0.04 0.53 0.07 0.00 0.48 0.00 0.00 55.95 56.99 1b8t s SER 81 Cb -0.11 1.38 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 1b8t s SER 81 CO -0.14 -0.08 -0.14 0.42 0.98 0.00 0.00 173.24 174.28 1b8t s THR 82 N 2.08 1.57 0.00 2.02 -4.23 -1.26 -5.15 115.64 110.67 1b8t s THR 82 Ca -0.03 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1b8t s THR 82 Cb -0.04 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1b8t s THR 82 CO -0.16 -0.52 0.00 -0.90 -0.54 0.00 0.00 174.62 172.49 1b8t n ASP 83 N -0.01 0.00 -3.61 3.99 5.68 -1.26 -5.18 116.55 116.16 1b8t n ASP 83 Ca -0.11 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.10 1b8t n ASP 83 Cb 0.59 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.51 1b8t n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1b8t s LYS 84 N -2.00 0.45 0.29 0.11 1.02 -1.26 -5.19 119.74 113.16 1b8t s LYS 84 Ca 0.00 0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.25 1b8t s LYS 84 Cb 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1b8t s LYS 84 CO 0.00 -0.11 0.26 0.20 -0.92 0.00 0.00 175.35 174.78 1b8t s GLY 85 N -0.65 1.88 -0.19 -3.33 0.00 -1.26 -5.18 107.32 98.59 1b8t s GLY 85 Ca 0.02 -1.84 -0.28 0.00 0.00 0.00 0.00 44.72 42.61 1b8t s GLY 85 CO -0.03 -1.36 0.91 1.85 0.00 0.00 0.00 173.10 174.47 1b8t s GLU 86 N -3.65 0.69 -0.06 2.90 2.56 -1.26 -5.18 118.70 114.70 1b8t s GLU 86 Ca 0.38 0.42 -0.20 0.00 0.00 0.00 0.00 54.97 55.58 1b8t s GLU 86 Cb 0.03 0.33 0.04 0.00 2.00 0.00 0.00 34.13 36.53 1b8t s GLU 86 CO 0.21 -0.16 0.45 0.45 -0.56 0.00 0.00 175.26 175.65 1b8t s SER 87 N -0.51 -0.40 0.01 -1.70 0.15 -1.26 -5.17 113.70 104.83 1b8t s SER 87 Ca -0.02 0.47 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 1b8t s SER 87 Cb -0.02 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1b8t s SER 87 CO 0.01 -0.42 -0.02 -0.22 1.20 0.00 0.00 173.24 173.79 1b8t s LEU 88 N -0.91 2.16 0.02 3.45 1.98 -1.26 -5.16 118.68 118.96 1b8t s LEU 88 Ca -0.10 -0.38 -0.05 0.00 -2.89 0.00 0.00 54.13 50.71 1b8t s LEU 88 Cb -0.03 0.11 -0.01 0.00 0.66 0.00 0.00 46.19 46.92 1b8t s LEU 88 CO 0.05 -0.24 0.07 -0.83 -1.89 0.00 0.00 176.35 173.51 1b8t s GLY 89 N -1.16 0.16 0.04 7.98 0.00 -1.26 -5.17 107.32 107.91 1b8t s GLY 89 Ca -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.19 1b8t s GLY 89 CO -0.01 -0.56 -0.10 -0.26 0.00 0.00 0.00 173.10 172.18 1b8t s ILE 90 N -1.92 0.74 0.10 0.90 -5.25 -1.26 -5.16 121.20 109.35 1b8t s ILE 90 Ca -0.11 -0.95 -0.01 0.00 -0.99 0.00 0.00 60.65 58.59 1b8t s ILE 90 Cb -0.05 -0.73 -0.04 0.00 2.95 0.00 0.00 42.46 44.58 1b8t s ILE 90 CO -0.02 -0.18 0.03 -1.59 -1.79 0.00 0.00 174.94 171.39 1b8t s LYS 91 N -1.25 0.81 -0.05 0.37 -2.85 -1.26 -5.17 119.74 110.34 1b8t s LYS 91 Ca -0.04 -1.35 -0.29 0.00 -1.00 0.00 0.00 55.97 53.29 1b8t s LYS 91 Cb -0.08 0.23 0.06 0.00 -2.06 0.00 0.00 37.83 35.98 1b8t s LYS 91 CO 0.01 -0.20 0.63 1.52 0.10 0.00 0.00 175.35 177.41 1b8t s TYR 92 N -4.00 -0.60 -0.03 1.78 -0.85 -1.26 -5.18 117.35 107.22 1b8t s TYR 92 Ca 0.17 1.03 -0.29 0.00 -0.52 0.00 0.00 57.07 57.46 1b8t s TYR 92 Cb 0.08 0.37 0.07 0.00 0.38 0.00 0.00 41.96 42.85 1b8t s TYR 92 CO -0.03 -0.58 0.65 -2.00 -1.52 0.00 0.00 175.55 172.08 1b8t s GLU 93 N -1.19 1.06 -0.24 -3.49 2.56 -1.26 -5.18 118.70 110.97 1b8t s GLU 93 Ca -0.11 0.17 -0.29 0.00 0.00 0.00 0.00 54.97 54.74 1b8t s GLU 93 Cb -0.01 0.50 0.16 0.00 2.00 0.00 0.00 34.13 36.78 1b8t s GLU 93 CO 0.09 -0.34 1.19 -2.00 -0.56 0.00 0.00 175.26 173.64 1b8t s GLU 94 N -1.43 0.32 0.00 4.30 2.56 -1.26 -5.17 118.70 118.03 1b8t s GLU 94 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 54.97 55.01 1b8t s GLU 94 Cb -0.00 0.15 0.00 0.00 2.00 0.00 0.00 34.13 36.28 1b8t s GLU 94 CO 0.08 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 1b8t n GLY 95 N 0.92 3.52 3.65 -1.50 0.00 -1.26 -5.18 105.19 105.34 1b8t n GLY 95 Ca -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1b8t n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b8t s GLN 96 N -1.92 0.10 -0.30 1.61 0.74 -1.26 -5.16 119.66 113.46 1b8t s GLN 96 Ca 0.00 0.16 -0.18 0.00 0.05 0.00 0.00 55.36 55.40 1b8t s GLN 96 Cb 0.00 0.02 0.19 0.00 1.10 0.00 0.00 33.01 34.32 1b8t s GLN 96 CO 0.00 -0.02 1.19 -1.54 -0.55 0.00 0.00 175.29 174.37 1b8t s SER 97 N 0.96 -0.22 -0.26 6.67 1.04 -1.26 -5.18 113.70 115.45 1b8t s SER 97 Ca -0.06 0.32 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 1b8t s SER 97 Cb -0.03 1.23 0.18 0.00 0.10 0.00 0.00 66.02 67.50 1b8t s SER 97 CO -0.11 -0.05 1.30 -1.38 0.98 0.00 0.00 173.24 173.99 1b8t s HIS 98 N 1.97 -0.09 -0.22 5.02 -3.43 -1.26 -5.18 115.29 112.10 1b8t s HIS 98 Ca -0.02 0.15 -0.19 0.00 -0.80 0.00 0.00 55.06 54.20 1b8t s HIS 98 Cb -0.02 0.49 0.06 0.00 -1.43 0.00 0.00 32.58 31.68 1b8t s HIS 98 CO -0.16 -0.08 0.58 -0.98 -2.00 0.00 0.00 174.74 172.10 1b8t s ARG 99 N -1.11 0.66 0.48 -0.38 1.70 -1.26 -5.16 118.95 113.88 1b8t s ARG 99 Ca 0.07 0.87 -0.21 0.00 -0.47 0.00 0.00 55.73 56.00 1b8t s ARG 99 Cb -0.01 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1b8t s ARG 99 CO -0.06 -0.10 1.04 -1.25 -1.08 0.00 0.00 175.30 173.85 1b8t s PRO 100 N 0.60 3.85 -0.30 3.89 0.04 -1.26 -5.05 135.00 136.77 1b8t s PRO 100 Ca -0.02 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 1b8t s PRO 100 Cb -0.05 -2.15 0.17 0.00 0.04 0.00 0.00 34.50 32.52 1b8t s PRO 100 CO -0.03 -0.39 1.08 -0.08 0.04 0.00 0.00 177.00 177.61 1b8t s THR 101 N -1.94 -0.28 -0.28 1.26 -1.32 -1.26 -5.17 115.64 106.64 1b8t s THR 101 Ca 0.66 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.89 1b8t s THR 101 Cb -0.17 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.97 1b8t s THR 101 CO 0.21 0.00 1.17 0.21 -2.21 0.00 0.00 174.62 174.00 1b8t s ASN 102 N 2.08 -0.30 1.00 8.08 3.84 -1.26 -5.18 114.94 123.19 1b8t s ASN 102 Ca -0.03 0.56 -0.15 0.00 0.21 0.00 0.00 52.86 53.45 1b8t s ASN 102 Cb -0.04 0.56 0.19 0.00 -0.55 0.00 0.00 41.25 41.41 1b8t s ASN 102 CO -0.16 -0.12 1.18 -2.16 -2.79 0.00 0.00 177.10 173.05 1b8t s PRO 103 N 0.01 0.42 -0.14 0.43 0.04 -1.26 -5.10 135.00 129.41 1b8t s PRO 103 Ca 0.04 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 1b8t s PRO 103 Cb -0.04 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.82 1b8t s PRO 103 CO -0.09 -2.63 0.90 1.21 0.04 0.00 0.00 177.00 176.44 1b8t s ASN 104 N -4.23 -0.47 -0.10 6.66 2.47 -1.26 -5.18 114.94 112.84 1b8t s ASN 104 Ca 0.68 0.55 -0.30 0.00 0.42 0.00 0.00 52.86 54.21 1b8t s ASN 104 Cb -0.11 0.44 0.11 0.00 -1.45 0.00 0.00 41.25 40.24 1b8t s ASN 104 CO 0.54 -0.40 0.92 0.00 -3.72 0.00 0.00 177.10 174.44 1b8t s ALA 105 N -1.01 -1.88 0.11 1.71 0.00 -1.26 -5.19 121.76 114.26 1b8t s ALA 105 Ca -0.04 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 1b8t s ALA 105 Cb -0.01 -0.26 0.08 0.00 0.00 0.00 0.00 23.12 22.93 1b8t s ALA 105 CO 0.03 -0.44 1.04 0.45 0.00 0.00 0.00 175.76 176.85 1b8t s SER 106 N -1.56 -0.15 -0.11 0.00 0.15 -1.26 -5.18 113.70 105.59 1b8t s SER 106 Ca -0.01 -0.34 -0.22 0.00 0.70 0.00 0.00 55.95 56.08 1b8t s SER 106 Cb -0.01 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1b8t s SER 106 CO -0.01 -0.76 0.54 -0.60 1.20 0.00 0.00 173.24 173.61 1b8t s ARG 107 N -3.08 0.78 0.40 5.44 3.00 -1.26 -5.18 118.95 119.05 1b8t s ARG 107 Ca 0.13 0.39 0.08 0.00 -1.00 0.00 0.00 55.73 55.32 1b8t s ARG 107 Cb 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 34.95 35.26 1b8t s ARG 107 CO 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 175.30 175.20 1b8t s MET 108 N -0.55 2.07 0.23 5.12 0.23 -1.26 -5.16 119.30 119.98 1b8t s MET 108 Ca -0.07 -1.94 -0.08 0.00 -1.03 0.00 0.00 55.69 52.58 1b8t s MET 108 Cb -0.03 -1.82 -0.02 0.00 -1.53 0.00 0.00 34.83 31.43 1b8t s MET 108 CO 0.04 -0.03 0.33 0.00 -2.03 0.00 0.00 175.02 173.33 1b8t s ALA 109 N -2.63 0.39 0.02 3.16 0.00 -1.26 -5.18 121.76 116.26 1b8t s ALA 109 Ca 0.37 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 1b8t s ALA 109 Cb 0.06 1.21 0.04 0.00 0.00 0.00 0.00 23.12 24.43 1b8t s ALA 109 CO 0.20 -0.74 0.47 -0.65 0.00 0.00 0.00 175.76 175.04 1b8t s GLN 110 N -4.07 0.94 -0.04 0.00 -0.21 -1.26 -5.17 119.66 109.85 1b8t s GLN 110 Ca 0.30 -0.21 -0.02 0.00 0.02 0.00 0.00 55.36 55.44 1b8t s GLN 110 Cb 0.03 0.43 0.03 0.00 1.00 0.00 0.00 33.01 34.49 1b8t s GLN 110 CO 0.10 -0.32 0.10 0.21 -2.12 0.00 0.00 175.29 173.27 1b8t s LYS 111 N -2.13 0.07 0.01 2.91 2.47 -1.26 -5.15 119.74 116.65 1b8t s LYS 111 Ca -0.07 0.25 -0.00 0.00 -1.56 0.00 0.00 55.97 54.58 1b8t s LYS 111 Cb -0.01 -0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.20 1b8t s LYS 111 CO 0.00 -0.11 0.11 0.54 0.16 0.00 0.00 175.35 176.05 1b8t s VAL 112 N 0.77 4.88 -0.30 4.02 0.11 -1.26 -5.09 120.40 123.53 1b8t s VAL 112 Ca -0.06 -0.40 -0.16 0.00 -2.93 0.00 0.00 61.98 58.42 1b8t s VAL 112 Cb -0.08 -3.26 0.21 0.00 -1.53 0.00 0.00 36.38 31.71 1b8t s VAL 112 CO -0.03 0.31 1.25 -0.83 -3.33 0.00 0.00 175.10 172.46 1b8t s GLY 113 N -1.90 0.56 -0.09 6.54 0.00 -1.26 -5.19 107.32 105.98 1b8t s GLY 113 Ca 0.25 3.79 -0.32 0.00 0.00 0.00 0.00 44.72 48.44 1b8t s GLY 113 CO 0.17 2.85 1.05 -0.32 0.00 0.00 0.00 173.10 176.84 1b8t s GLY 114 N 1.20 -0.38 -0.28 0.20 0.00 -1.26 -5.17 107.32 101.62 1b8t s GLY 114 Ca -0.07 1.27 -0.16 0.00 0.00 0.00 0.00 44.72 45.76 1b8t s GLY 114 CO -0.11 0.42 0.79 -0.45 0.00 0.00 0.00 173.10 173.75 1b8t s SER 115 N -2.36 -0.79 0.00 1.64 0.15 -1.26 -4.91 113.70 106.17 1b8t s SER 115 Ca 0.07 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1b8t s SER 115 Cb -0.01 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1b8t s SER 115 CO -0.07 -0.20 0.00 0.47 1.20 0.00 0.00 173.24 174.64 1b8t n ASP 116 N 4.08 0.00 -4.02 5.45 8.00 -0.56 -5.05 116.55 124.45 1b8t n ASP 116 Ca -0.19 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.17 1b8t n ASP 116 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.66 -0.43 0.44 0.00 -1.26 -0.34 107.32 107.39 1b8t s GLY 117 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 44.72 42.79 1b8t s GLY 117 CO 0.00 -1.43 0.33 0.00 0.00 0.00 0.00 173.10 172.00 1b8t n PRO 119 N 5.16 0.75 0.00 0.00 -0.04 -1.26 0.32 135.00 139.93 1b8t n PRO 119 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1b8t n PRO 119 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.00 0.00 0.09 0.54 3.00 -1.26 -4.62 116.66 113.40 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 -0.68 -0.07 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 1.17 1.10 3.55 0.00 0.00 0.15 -5.08 105.19 106.09 1b8t n GLY 122 Ca -0.05 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.46 3.20 0.79 1.61 1.11 -1.14 -4.80 119.66 119.96 1b8t s GLN 123 Ca 0.00 -0.52 -0.16 0.00 0.01 0.00 0.00 55.36 54.68 1b8t s GLN 123 Cb 0.00 -2.75 -0.09 0.00 -1.01 0.00 0.00 33.01 29.16 1b8t s GLN 123 CO 0.00 0.47 -0.06 0.00 0.01 0.00 0.00 175.29 175.72 1b8t n ALA 124 N 2.81 -3.27 -3.66 6.09 0.00 -1.26 0.26 120.51 121.48 1b8t n ALA 124 Ca -0.18 -0.38 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1b8t n ALA 124 Cb 0.53 -1.52 -0.17 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.02 0.50 0.06 0.00 1.01 0.54 -4.46 120.40 116.03 1b8t s VAL 125 Ca 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1b8t s VAL 125 Cb -0.31 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1b8t s VAL 125 CO 0.69 0.23 0.00 0.00 0.00 0.00 0.00 175.10 176.02 1b8t n TYR 126 N 4.26 -1.71 -0.52 5.22 9.36 -1.26 -1.49 117.16 131.01 1b8t n TYR 126 Ca -0.22 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1b8t n TYR 126 Cb 0.51 0.71 0.00 0.00 -0.63 0.00 0.00 39.34 39.93 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 -2.48 0.00 -1.19 2.98 0.00 -1.26 -4.84 120.51 113.72 1b8t n ALA 127 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1b8t n ALA 127 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.60 -2.58 0.00 0.00 -1.26 -3.50 120.51 106.56 1b8t n ALA 128 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1b8t n ALA 128 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.13 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 1.66 -2.29 -4.40 0.00 4.07 -1.26 -5.03 120.64 113.40 1b8t n GLU 129 Ca 0.06 0.45 -0.29 0.00 -0.06 0.00 0.00 57.16 57.32 1b8t n GLU 129 Cb 0.49 -4.02 -0.17 0.00 -0.06 0.00 0.00 31.44 27.68 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 -4.20 2.29 0.05 5.31 2.20 -1.23 -3.75 119.74 120.40 1b8t s LYS 130 Ca 0.13 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1b8t s LYS 130 Cb -0.02 -1.96 -0.02 0.00 -1.51 0.00 0.00 37.83 34.32 1b8t s LYS 130 CO 0.39 -0.09 -0.15 0.54 -0.36 0.00 0.00 175.35 175.68 1b8t s VAL 131 N 1.06 1.17 -0.17 4.02 0.11 0.13 -4.69 120.40 122.04 1b8t s VAL 131 Ca -0.05 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 1b8t s VAL 131 Cb -0.15 -1.07 0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1b8t s VAL 131 CO -0.03 -0.01 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.00 1b8t s ILE 132 N -0.91 1.39 -0.01 7.04 1.09 -1.26 -0.37 121.20 128.16 1b8t s ILE 132 Ca 0.02 -0.73 -0.04 0.00 -1.10 0.00 0.00 60.65 58.80 1b8t s ILE 132 Cb -0.08 -1.46 -0.00 0.00 -1.06 0.00 0.00 42.46 39.86 1b8t s ILE 132 CO 0.02 0.24 0.08 -0.83 -0.10 0.00 0.00 174.94 174.34 1b8t s GLY 133 N 1.52 0.04 -1.20 6.18 0.00 0.85 -4.89 107.32 109.82 1b8t s GLY 133 Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 44.72 44.50 1b8t s GLY 133 CO -0.09 -0.13 0.71 0.00 0.00 0.00 0.00 173.10 173.59 1b8t n ALA 134 N 2.23 -2.44 -2.84 3.20 0.00 -1.26 0.28 120.51 119.68 1b8t n ALA 134 Ca -0.18 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 1b8t n ALA 134 Cb 0.57 -3.42 -0.01 0.00 0.00 0.00 0.00 19.45 16.59 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 -1.78 -0.49 3.35 0.00 0.00 -1.26 -4.88 105.19 100.13 1b8t n GLY 135 Ca -0.14 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.41 1.48 -0.01 1.61 1.02 0.14 -5.16 119.74 113.42 1b8t s LYS 136 Ca 0.15 -1.81 0.02 0.00 0.02 0.00 0.00 55.97 54.35 1b8t s LYS 136 Cb -0.08 -0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 36.87 1b8t s LYS 136 CO 0.19 -0.30 -0.07 -1.54 -0.92 0.00 0.00 175.35 172.71 1b8t s SER 137 N -3.36 0.83 0.32 2.83 1.04 -1.26 -0.11 113.70 113.99 1b8t s SER 137 Ca 0.37 -0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.48 1b8t s SER 137 Cb 0.08 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.14 1b8t s SER 137 CO 0.14 0.09 0.76 -1.66 0.98 0.00 0.00 173.24 173.55 1b8t s TRP 138 N -0.17 -0.06 -0.29 5.02 -2.14 0.50 -4.09 118.94 117.71 1b8t s TRP 138 Ca 0.03 -0.48 -0.29 0.00 2.66 0.00 0.00 56.10 58.02 1b8t s TRP 138 Cb -0.03 0.76 0.01 0.00 -3.10 0.00 0.00 33.47 31.11 1b8t s TRP 138 CO -0.00 -1.35 1.15 -1.01 -2.66 0.00 0.00 176.95 173.07 1b8t s HIS 139 N -3.22 3.02 0.59 1.66 3.76 -1.26 0.18 115.29 120.02 1b8t s HIS 139 Ca 0.13 1.12 0.33 0.00 -0.15 0.00 0.00 55.06 56.49 1b8t s HIS 139 Cb -0.05 -3.69 1.28 0.00 1.11 0.00 0.00 32.58 31.22 1b8t s HIS 139 CO 0.09 -1.08 1.54 -0.22 -0.85 0.00 0.00 174.74 174.22 1b8t h LYS 140 N 8.35 0.00 0.33 1.40 3.64 -1.84 0.87 116.57 129.32 1b8t h LYS 140 Ca -0.22 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1b8t h LYS 140 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1b8t h LYS 140 CO 1.02 0.00 -0.16 0.66 -2.27 0.00 0.00 179.45 178.71 1b8t h SER 141 N 0.00 -0.37 0.39 4.20 4.64 -1.89 -3.33 113.55 117.19 1b8t h SER 141 Ca 0.53 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1b8t h SER 141 Cb 2.66 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.85 1b8t h SER 141 CO -0.01 0.04 -0.19 0.00 -0.87 0.00 0.00 176.83 175.81 1b8t n PHE 143 N -5.17 0.20 -4.10 0.00 7.35 0.20 -4.83 117.46 111.11 1b8t n PHE 143 Ca -0.10 0.14 -0.13 0.00 -0.76 0.00 0.00 57.45 56.60 1b8t n PHE 143 Cb 0.28 -0.97 -0.11 0.00 0.35 0.00 0.00 39.48 39.03 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 4.95 0.63 -0.06 -4.13 1.70 -1.26 -1.54 118.95 119.24 1b8t s ARG 144 Ca 0.81 -0.91 -0.39 0.00 -0.47 0.00 0.00 55.73 54.78 1b8t s ARG 144 Cb -0.66 -0.33 -0.17 0.00 -0.57 0.00 0.00 34.95 33.22 1b8t s ARG 144 CO 0.32 0.05 1.41 0.00 -1.08 0.00 0.00 175.30 176.00 1b8t n ALA 146 N 3.15 4.28 0.00 0.00 0.00 0.53 -0.14 120.51 128.33 1b8t n ALA 146 Ca 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1b8t n ALA 146 Cb 0.14 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.03 0.00 -0.01 0.00 3.00 -1.26 -4.87 118.16 115.04 1b8t n LYS 147 Ca 0.27 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.61 1b8t n LYS 147 Cb 0.85 -0.33 -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 2.01 0.49 3.60 0.00 0.00 0.80 -5.01 105.19 107.07 1b8t n GLY 149 Ca -0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.54 3.87 0.23 1.61 2.47 -1.24 -4.64 119.74 120.50 1b8t s LYS 150 Ca 0.00 0.40 -0.29 0.00 -1.56 0.00 0.00 55.97 54.52 1b8t s LYS 150 Cb 0.00 -3.75 -0.16 0.00 -1.46 0.00 0.00 37.83 32.46 1b8t s LYS 150 CO 0.00 -0.69 0.78 -1.13 0.16 0.00 0.00 175.35 174.47 1b8t n SER 151 N 6.15 0.02 -3.11 1.43 3.41 -1.26 -0.81 113.62 119.45 1b8t n SER 151 Ca 0.02 1.15 -0.08 0.00 -0.26 0.00 0.00 58.87 59.70 1b8t n SER 151 Cb 0.48 -1.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.34 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 1.66 0.00 0.00 1.04 4.77 -0.59 -4.73 117.00 119.15 1b8t n LEU 152 Ca 0.14 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1b8t n LEU 152 Cb 0.27 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1b8t n LEU 152 CO 0.58 -0.50 0.00 -1.84 -1.33 0.00 0.00 177.39 174.30 1b8t n GLU 153 N -1.29 0.00 0.00 3.23 0.00 -1.26 -4.92 120.64 116.40 1b8t n GLU 153 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1b8t n GLU 153 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.67 1b8t n GLU 153 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1b8t n SER 154 N 0.00 -1.88 -3.39 -1.84 3.41 -1.26 -2.81 113.62 105.85 1b8t n SER 154 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1b8t n SER 154 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1b8t n SER 154 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b8t n THR 155 N -0.56 3.07 -0.65 6.66 -2.24 -1.26 -3.77 114.28 115.52 1b8t n THR 155 Ca 0.00 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1b8t n THR 155 Cb 0.00 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 65.84 1b8t n THR 155 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1b8t n THR 156 N 4.48 0.28 -3.23 4.28 -1.04 -1.12 -5.07 114.28 112.85 1b8t n THR 156 Ca 0.57 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.05 62.15 1b8t n THR 156 Cb 0.25 0.98 0.02 0.00 -1.82 0.00 0.00 70.33 69.77 1b8t n THR 156 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b8t n LEU 157 N -0.14 0.00 -3.55 -4.42 -0.00 -1.25 -0.98 117.00 106.66 1b8t n LEU 157 Ca 0.00 -1.38 -0.23 0.00 -0.00 0.00 0.00 56.01 54.40 1b8t n LEU 157 Cb 0.37 -0.16 -0.15 0.00 -0.00 0.00 0.00 43.42 43.48 1b8t n LEU 157 CO 0.00 -0.55 -0.28 0.00 -0.00 0.00 0.00 177.39 176.56 1b8t s ALA 158 N -2.38 0.16 -0.77 1.47 0.00 0.94 -4.45 121.76 116.72 1b8t s ALA 158 Ca 0.27 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1b8t s ALA 158 Cb -0.02 -1.22 0.17 0.00 0.00 0.00 0.00 23.12 22.05 1b8t s ALA 158 CO 0.17 -1.28 0.80 0.16 0.00 0.00 0.00 175.76 175.61 1b8t s ASP 159 N 2.21 6.57 -0.00 0.00 -4.77 -1.25 -0.13 116.67 119.30 1b8t s ASP 159 Ca 0.05 -2.24 0.05 0.00 -3.30 0.00 0.00 52.55 47.11 1b8t s ASP 159 Cb -0.16 -2.26 -0.01 0.00 -1.09 0.00 0.00 42.92 39.40 1b8t s ASP 159 CO -0.15 -0.80 -0.15 -0.75 0.70 0.00 0.00 175.17 174.02 1b8t s LYS 160 N 1.28 1.17 -0.99 2.11 2.36 0.14 -4.83 119.74 120.98 1b8t s LYS 160 Ca 0.18 -0.57 -0.13 0.00 -2.55 0.00 0.00 55.97 52.90 1b8t s LYS 160 Cb -0.14 -1.15 0.00 0.00 -1.05 0.00 0.00 37.83 35.50 1b8t s LYS 160 CO -0.05 0.31 0.71 -0.25 1.55 0.00 0.00 175.35 177.62 1b8t n ASP 161 N 2.59 -5.50 -2.19 1.43 9.92 -1.26 0.24 116.55 121.78 1b8t n ASP 161 Ca -0.15 -0.87 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1b8t n ASP 161 Cb 0.55 -3.03 0.00 0.00 -0.64 0.00 0.00 41.12 38.00 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 -1.74 -0.41 3.27 0.44 0.00 -1.26 -4.84 105.19 100.65 1b8t n GLY 162 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1b8t n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b8t s GLU 163 N -4.31 1.09 -0.04 1.61 2.12 0.14 -5.13 118.70 114.18 1b8t s GLU 163 Ca 0.00 -1.23 0.06 0.00 0.36 0.00 0.00 54.97 54.16 1b8t s GLU 163 Cb 0.00 -1.15 -0.02 0.00 0.26 0.00 0.00 34.13 33.22 1b8t s GLU 163 CO 0.00 0.24 -0.21 0.96 -0.54 0.00 0.00 175.26 175.71 1b8t s ILE 164 N -1.73 2.45 0.21 -3.70 -4.36 -1.25 0.28 121.20 113.10 1b8t s ILE 164 Ca 0.09 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.55 1b8t s ILE 164 Cb -0.07 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 1b8t s ILE 164 CO 0.04 0.58 0.23 -1.22 0.24 0.00 0.00 174.94 174.81 1b8t n TYR 165 N 2.51 -0.75 -3.82 1.37 4.01 0.82 -0.35 117.16 120.95 1b8t n TYR 165 Ca -0.17 -1.58 -0.34 0.00 -0.16 0.00 0.00 57.90 55.65 1b8t n TYR 165 Cb 0.52 0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 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 4.00 0.47 0.00 0.00 3.64 -1.28 1.63 116.57 125.03 1b8t h LYS 167 Ca -0.50 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1b8t h LYS 167 Cb 1.20 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1b8t h LYS 167 CO 0.67 0.31 -0.00 0.78 -2.27 0.00 0.00 179.45 178.93 1b8t h GLY 168 N 0.48 0.00 0.21 5.01 0.00 -1.93 0.42 103.07 107.26 1b8t h GLY 168 Ca 0.68 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.90 1b8t h GLY 168 CO -0.51 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 175.53 1b8t h TYR 170 N -0.79 0.42 0.00 0.00 3.20 -0.27 0.46 116.97 119.98 1b8t h TYR 170 Ca -0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1b8t h TYR 170 Cb 1.26 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1b8t h TYR 170 CO 0.22 0.24 -0.03 0.00 -1.64 0.00 0.00 178.16 176.95 1b8t h ALA 171 N 1.76 0.00 -0.20 1.82 0.00 -0.27 -3.21 119.26 119.16 1b8t h ALA 171 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1b8t h ALA 171 Cb 0.17 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1b8t h ALA 171 CO -0.04 0.03 -0.46 0.87 0.00 0.00 0.00 179.25 179.66 1b8t h LYS 172 N -0.71 -0.41 -1.14 0.00 1.57 -1.04 0.51 116.57 115.35 1b8t h LYS 172 Ca 0.00 0.03 0.44 0.00 -1.87 0.00 0.00 60.65 59.24 1b8t h LYS 172 Cb 0.03 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.28 1b8t h LYS 172 CO 0.00 -0.27 0.67 0.09 -0.57 0.00 0.00 179.45 179.37 1b8t n ASN 173 N -4.92 0.29 -2.94 0.86 4.13 0.16 0.03 115.26 112.86 1b8t n ASN 173 Ca -0.04 1.52 -0.26 0.00 1.68 0.00 0.00 54.58 57.48 1b8t n ASN 173 Cb 0.30 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1b8t n PHE 174 N -5.00 3.66 -3.62 3.10 3.72 0.15 -4.93 117.46 114.54 1b8t n PHE 174 Ca 0.38 -3.93 -0.27 0.00 -0.05 0.00 0.00 57.45 53.58 1b8t n PHE 174 Cb 1.38 -0.46 -0.10 0.00 -0.94 0.00 0.00 39.48 39.36 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 -0.21 3.76 3.79 1.37 0.00 0.10 -4.80 105.19 109.21 1b8t n GLY 175 Ca 0.31 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1b8t n GLY 175 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 176 N -1.41 1.44 -0.34 1.61 0.04 -1.26 -4.98 135.00 130.09 1b8t s PRO 176 Ca 0.31 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.76 1b8t s PRO 176 Cb 0.04 -1.86 0.30 0.00 0.04 0.00 0.00 34.50 33.02 1b8t s PRO 176 CO -0.13 -2.01 1.30 0.36 0.04 0.00 0.00 177.00 176.56 1b8t n LYS 177 N -3.66 0.23 -4.15 4.56 2.85 -1.26 -5.16 118.16 111.57 1b8t n LYS 177 Ca 0.07 -0.84 -0.13 0.00 -1.05 0.00 0.00 58.31 56.36 1b8t n LYS 177 Cb 0.58 -0.31 -0.11 0.00 -0.65 0.00 0.00 35.03 34.55 1b8t n LYS 177 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1b8t s GLY 178 N -0.37 0.75 -0.30 2.58 0.00 -1.26 -5.14 107.32 103.58 1b8t s GLY 178 Ca 0.23 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 1b8t s GLY 178 CO -0.15 -1.23 1.14 -0.12 0.00 0.00 0.00 173.10 172.74 1b8t s PHE 179 N -2.60 -0.34 0.21 1.90 5.36 -1.26 -5.08 117.98 116.17 1b8t s PHE 179 Ca 0.04 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 1b8t s PHE 179 Cb -0.02 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1b8t s PHE 179 CO -0.01 -0.18 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 1b8t n GLY 180 N 5.24 -0.69 3.20 13.12 0.00 -1.26 -5.10 105.19 119.70 1b8t n GLY 180 Ca -0.08 0.10 -0.53 0.00 0.00 0.00 0.00 46.02 45.52 1b8t n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b8t n PHE 181 N -3.11 0.45 -2.41 1.61 3.72 -1.26 -4.95 117.46 111.52 1b8t n PHE 181 Ca 0.00 0.96 0.00 0.00 -0.05 0.00 0.00 57.45 58.36 1b8t n PHE 181 Cb 0.00 -1.90 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 1b8t n PHE 181 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b8t n GLY 182 N 1.43 6.11 1.12 1.37 0.00 -1.26 -5.11 105.19 108.85 1b8t n GLY 182 Ca 0.18 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1b8t n GLY 182 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1b8t n GLN 183 N 0.00 0.00 -1.63 1.61 7.27 -1.26 -5.04 117.38 118.33 1b8t n GLN 183 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 57.00 56.47 1b8t n GLN 183 Cb 0.00 -0.46 -0.08 0.00 2.41 0.00 0.00 30.24 32.11 1b8t n GLN 183 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b8t n GLY 184 N 3.31 0.20 3.55 1.69 0.00 -1.26 -4.93 105.19 107.75 1b8t n GLY 184 Ca 0.00 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.78 1b8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8t s ALA 185 N 1.62 -0.58 0.00 4.61 0.00 -1.26 -5.16 121.76 120.98 1b8t s ALA 185 Ca 0.95 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1b8t s ALA 185 Cb -1.24 0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1b8t s ALA 185 CO 0.64 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1b8t n GLY 186 N -0.35 0.12 2.24 0.00 0.00 -1.26 -5.14 105.19 100.80 1b8t n GLY 186 Ca -0.06 -1.39 -0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.43 -2.18 0.06 4.61 0.00 -1.26 -5.05 120.51 116.27 1b8t n ALA 187 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1b8t n ALA 187 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1b8t n ALA 187 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1b8t n LEU 188 N 1.66 0.49 -3.48 0.00 7.94 -1.26 -4.91 117.00 117.44 1b8t n LEU 188 Ca -0.02 0.20 -0.33 0.00 -1.11 0.00 0.00 56.01 54.76 1b8t n LEU 188 Cb 0.03 -0.05 -0.04 0.00 0.53 0.00 0.00 43.42 43.90 1b8t n LEU 188 CO 0.02 -0.71 0.54 2.30 -1.11 0.00 0.00 177.39 178.43 1b8t n ILE 189 N -3.25 3.77 -4.15 1.96 -5.35 -1.26 -5.03 119.36 106.06 1b8t n ILE 189 Ca 0.00 -5.59 -0.25 0.00 -0.27 0.00 0.00 62.75 56.64 1b8t n ILE 189 Cb 0.00 -1.86 -0.07 0.00 -1.74 0.00 0.00 39.64 35.97 1b8t n ILE 189 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1b8t s HIS 190 N -3.04 2.48 -0.06 4.28 3.76 -1.26 -5.07 115.29 116.37 1b8t s HIS 190 Ca 0.40 -0.63 -0.13 0.00 -0.15 0.00 0.00 55.06 54.55 1b8t s HIS 190 Cb 0.16 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.83 1b8t s HIS 190 CO -0.03 0.14 0.50 0.77 -0.85 0.00 0.00 174.74 175.27 1b8t h SER 191 N 1.37 -0.26 0.00 1.40 0.02 -2.03 -3.54 113.55 110.51 1b8t h SER 191 Ca -0.42 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1b8t h SER 191 Cb 1.26 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1b8t h SER 191 CO 0.69 0.23 0.00 1.67 -1.14 0.00 0.00 176.83 178.29