#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8t s PRO 2 N 0.00 -0.57 0.17 0.03 0.04 -1.26 -5.10 135.00 128.31 1b8t s PRO 2 Ca 0.00 -0.35 -0.03 0.00 0.04 0.00 0.00 61.00 60.66 1b8t s PRO 2 Cb 0.00 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1b8t s PRO 2 CO 0.00 -3.23 0.15 0.54 0.04 0.00 0.00 177.00 174.50 1b8t s ASN 3 N -4.48 0.18 0.15 6.66 2.20 -1.26 -5.18 114.94 113.21 1b8t s ASN 3 Ca 0.74 -1.22 -0.24 0.00 -0.94 0.00 0.00 52.86 51.20 1b8t s ASN 3 Cb -0.05 0.37 0.07 0.00 -2.00 0.00 0.00 41.25 39.64 1b8t s ASN 3 CO 0.55 -0.83 0.68 0.86 -2.94 0.00 0.00 177.10 175.42 1b8t s TRP 4 N -4.08 -0.43 0.00 1.54 -0.00 -1.26 -5.19 118.94 109.52 1b8t s TRP 4 Ca 0.30 0.19 0.00 0.00 -0.00 0.00 0.00 56.10 56.58 1b8t s TRP 4 Cb 0.06 0.58 0.00 0.00 -0.00 0.00 0.00 33.47 34.12 1b8t s TRP 4 CO 0.07 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.56 1b8t n GLY 5 N -0.38 2.42 0.77 5.86 0.00 -1.26 -5.19 105.19 107.42 1b8t n GLY 5 Ca -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 0.84 0.00 -0.02 0.00 -1.26 -5.19 105.19 99.55 1b8t n GLY 6 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.16 -0.86 3.95 -0.02 0.00 -1.26 -4.84 105.19 101.99 1b8t n GLY 7 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.29 2.67 -0.22 1.61 2.47 0.59 -4.93 119.74 121.63 1b8t s LYS 8 Ca 0.00 -1.40 0.02 0.00 -1.56 0.00 0.00 55.97 53.03 1b8t s LYS 8 Cb 0.00 -2.57 0.04 0.00 -1.46 0.00 0.00 37.83 33.84 1b8t s LYS 8 CO 0.00 -0.26 -0.15 0.21 0.16 0.00 0.00 175.35 175.32 1b8t s LYS 9 N -4.26 2.65 -0.41 4.03 2.47 -1.26 0.18 119.74 123.14 1b8t s LYS 9 Ca 0.52 -1.07 -0.28 0.00 -1.56 0.00 0.00 55.97 53.58 1b8t s LYS 9 Cb -0.07 -2.75 -0.01 0.00 -1.46 0.00 0.00 37.83 33.54 1b8t s LYS 9 CO 0.31 -0.38 1.73 0.00 0.16 0.00 0.00 175.35 177.16 1b8t n GLY 11 N 5.41 -0.83 0.00 0.00 0.00 -1.18 -0.13 105.19 108.46 1b8t n GLY 11 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1b8t n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b8t n VAL 12 N -0.95 0.00 0.17 1.61 0.31 -1.26 -4.54 118.33 113.67 1b8t n VAL 12 Ca 0.18 0.38 0.03 0.00 -0.01 0.00 0.00 64.34 64.92 1b8t n VAL 12 Cb 0.08 -1.28 0.26 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.59 0.00 -2.32 0.00 10.64 0.82 -5.07 117.38 117.86 1b8t n GLN 14 Ca -0.00 0.24 -0.12 0.00 -1.83 0.00 0.00 57.00 55.29 1b8t n GLN 14 Cb 0.56 -2.31 0.03 0.00 -0.86 0.00 0.00 30.24 27.66 1b8t n GLN 14 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1b8t n LYS 15 N -2.29 0.84 -4.27 2.61 4.76 -1.10 -4.86 118.16 113.85 1b8t n LYS 15 Ca 0.00 -1.84 -0.34 0.00 -2.87 0.00 0.00 58.31 53.25 1b8t n LYS 15 Cb 0.06 -0.04 -0.13 0.00 -1.84 0.00 0.00 35.03 33.07 1b8t n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b8t s ALA 16 N -2.41 2.87 -0.29 7.82 0.00 -1.26 0.33 121.76 128.81 1b8t s ALA 16 Ca 0.30 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 1b8t s ALA 16 Cb -0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1b8t s ALA 16 CO 0.19 -0.05 0.44 0.08 0.00 0.00 0.00 175.76 176.42 1b8t s VAL 17 N 0.83 5.11 -0.13 0.00 1.01 0.13 -4.89 120.40 122.46 1b8t s VAL 17 Ca -0.01 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1b8t s VAL 17 Cb -0.15 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1b8t s VAL 17 CO 0.01 0.04 -0.23 0.00 0.00 0.00 0.00 175.10 174.93 1b8t n TYR 18 N 5.48 0.20 -3.15 5.22 9.36 -1.26 -0.30 117.16 132.71 1b8t n TYR 18 Ca -0.07 0.09 0.06 0.00 3.32 0.00 0.00 57.90 61.30 1b8t n TYR 18 Cb 0.50 -0.46 -0.01 0.00 -0.63 0.00 0.00 39.34 38.74 1b8t n TYR 18 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1b8t s PHE 19 N -2.30 -0.11 0.00 2.98 2.19 -1.26 -4.81 117.98 114.66 1b8t s PHE 19 Ca -0.19 0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.16 1b8t s PHE 19 Cb 0.03 0.03 0.00 0.00 -1.31 0.00 0.00 43.02 41.76 1b8t s PHE 19 CO 0.28 -0.06 0.00 0.00 1.83 0.00 0.00 175.22 177.27 1b8t n ALA 20 N 5.24 0.00 -2.70 11.12 0.00 -1.26 -5.03 120.51 127.89 1b8t n ALA 20 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1b8t n ALA 20 Cb 0.57 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.01 0.54 -2.96 0.00 0.28 -1.26 -5.06 120.64 110.16 1b8t n GLU 21 Ca 0.00 -1.26 -0.40 0.00 -0.16 0.00 0.00 57.16 55.33 1b8t n GLU 21 Cb 0.00 -0.60 -0.04 0.00 1.43 0.00 0.00 31.44 32.23 1b8t n GLU 21 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1b8t s GLU 22 N 0.18 4.45 -0.21 3.44 4.04 -1.26 0.13 118.70 129.48 1b8t s GLU 22 Ca 0.22 1.00 0.00 0.00 0.04 0.00 0.00 54.97 56.24 1b8t s GLU 22 Cb 0.28 -3.46 0.02 0.00 0.02 0.00 0.00 34.13 30.99 1b8t s GLU 22 CO -0.14 -0.00 -0.15 0.08 -1.84 0.00 0.00 175.26 173.21 1b8t s VAL 23 N 1.00 2.35 -0.10 1.83 1.01 0.46 -4.81 120.40 122.14 1b8t s VAL 23 Ca 0.40 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1b8t s VAL 23 Cb -0.18 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1b8t s VAL 23 CO 0.19 0.40 0.10 0.00 0.00 0.00 0.00 175.10 175.80 1b8t s GLN 24 N 1.29 3.31 -0.06 2.72 1.03 -1.26 0.11 119.66 126.79 1b8t s GLN 24 Ca 0.02 -0.22 -0.04 0.00 0.04 0.00 0.00 55.36 55.16 1b8t s GLN 24 Cb -0.15 -3.07 0.03 0.00 0.03 0.00 0.00 33.01 29.85 1b8t s GLN 24 CO -0.10 0.75 0.15 0.00 -2.54 0.00 0.00 175.29 173.56 1b8t n GLU 26 N 3.66 0.00 0.00 0.00 -0.58 -1.26 0.01 120.64 122.47 1b8t n GLU 26 Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1b8t n GLU 26 Cb 0.55 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 6.72 3.19 3.65 0.62 0.00 -1.26 -5.00 105.19 113.11 1b8t n GLY 27 Ca 0.57 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.01 -0.00 1.61 1.04 0.10 -5.17 113.70 111.27 1b8t s SER 28 Ca 0.00 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.50 1b8t s SER 28 Cb 0.00 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.76 1b8t s SER 28 CO 0.00 -1.24 -0.06 -0.94 0.98 0.00 0.00 173.24 171.98 1b8t s SER 29 N -3.03 0.68 0.18 7.02 1.04 -1.26 -0.59 113.70 117.74 1b8t s SER 29 Ca 0.21 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1b8t s SER 29 Cb -0.02 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1b8t s SER 29 CO 0.10 0.06 0.06 -0.36 0.98 0.00 0.00 173.24 174.08 1b8t s PHE 30 N -0.17 1.18 0.35 5.02 0.08 0.12 -3.10 117.98 121.46 1b8t s PHE 30 Ca 0.02 -1.17 -0.28 0.00 0.12 0.00 0.00 56.93 55.62 1b8t s PHE 30 Cb -0.02 -0.66 -0.10 0.00 -0.57 0.00 0.00 43.02 41.66 1b8t s PHE 30 CO -0.00 -0.39 1.35 -1.01 -0.10 0.00 0.00 175.22 175.07 1b8t s HIS 31 N -3.86 2.91 0.22 0.36 3.76 -1.26 -0.40 115.29 117.01 1b8t s HIS 31 Ca 0.29 1.35 -0.20 0.00 -0.15 0.00 0.00 55.06 56.36 1b8t s HIS 31 Cb 0.07 -3.77 0.19 0.00 1.11 0.00 0.00 32.58 30.18 1b8t s HIS 31 CO 0.07 -2.18 1.55 -0.22 -0.85 0.00 0.00 174.74 173.11 1b8t h LYS 32 N 3.22 -0.01 -0.64 1.40 3.11 0.82 1.41 116.57 125.89 1b8t h LYS 32 Ca -0.49 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.39 1b8t h LYS 32 Cb 1.23 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.42 1b8t h LYS 32 CO 0.65 -0.01 0.37 0.77 -2.81 0.00 0.00 179.45 178.42 1b8t h SER 33 N -0.01 0.57 -0.50 4.20 0.02 -1.90 -1.46 113.55 114.47 1b8t h SER 33 Ca 0.32 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1b8t h SER 33 Cb 0.57 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1b8t h SER 33 CO -0.97 0.39 0.31 0.00 -1.14 0.00 0.00 176.83 175.42 1b8t s PHE 35 N -6.15 1.26 -0.01 0.00 2.19 0.39 -4.85 117.98 110.81 1b8t s PHE 35 Ca -0.13 1.83 0.00 0.00 0.33 0.00 0.00 56.93 58.97 1b8t s PHE 35 Cb 0.12 -3.51 0.02 0.00 -1.31 0.00 0.00 43.02 38.34 1b8t s PHE 35 CO 0.74 -1.42 0.01 -1.17 1.83 0.00 0.00 175.22 175.21 1b8t s LEU 36 N 14.50 1.47 -0.42 6.12 0.20 -1.26 -1.26 118.68 138.03 1b8t s LEU 36 Ca 0.87 0.01 -0.41 0.00 0.69 0.00 0.00 54.13 55.29 1b8t s LEU 36 Cb -0.10 -0.08 -0.16 0.00 -0.43 0.00 0.00 46.19 45.41 1b8t s LEU 36 CO 0.09 -0.07 2.06 0.00 -0.29 0.00 0.00 176.35 178.14 1b8t n MET 38 N 7.14 0.88 0.00 0.00 1.56 -0.46 -0.23 117.12 126.01 1b8t n MET 38 Ca 0.45 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.88 1b8t n MET 38 Cb 0.07 -1.18 0.00 0.00 2.15 0.00 0.00 33.22 34.25 1b8t n MET 38 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1b8t n VAL 39 N -0.68 0.00 0.19 1.12 0.31 -1.26 -4.64 118.33 113.36 1b8t n VAL 39 Ca 0.08 0.33 0.07 0.00 -0.01 0.00 0.00 64.34 64.81 1b8t n VAL 39 Cb 0.04 -1.32 0.32 0.00 -0.91 0.00 0.00 33.84 31.97 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 -4.01 0.00 3.00 0.68 -5.05 118.16 109.36 1b8t n LYS 41 Ca 0.00 0.24 -0.36 0.00 -0.00 0.00 0.00 58.31 58.20 1b8t n LYS 41 Cb 0.52 -3.16 -0.08 0.00 0.00 0.00 0.00 35.03 32.31 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 -2.44 3.51 0.39 1.64 2.20 -1.16 -4.83 119.74 119.06 1b8t s LYS 42 Ca 0.00 -0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.13 1b8t s LYS 42 Cb 0.00 -3.12 -0.13 0.00 -1.51 0.00 0.00 37.83 33.07 1b8t s LYS 42 CO 0.00 0.61 0.53 0.27 -0.36 0.00 0.00 175.35 176.39 1b8t n ASN 43 N 2.50 -0.97 -4.28 1.43 6.94 -1.26 0.28 115.26 119.90 1b8t n ASN 43 Ca -0.19 0.93 -0.19 0.00 -0.02 0.00 0.00 54.58 55.12 1b8t n ASN 43 Cb 0.54 -1.09 -0.11 0.00 -2.36 0.00 0.00 39.78 36.76 1b8t n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b8t s LEU 44 N 2.03 2.45 0.33 -4.53 1.43 -0.39 -4.51 118.68 115.49 1b8t s LEU 44 Ca 0.63 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1b8t s LEU 44 Cb -0.64 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1b8t s LEU 44 CO 0.59 -0.14 0.24 -1.81 0.23 0.00 0.00 176.35 175.46 1b8t s ASP 45 N -2.73 1.71 -1.26 2.29 1.11 -1.26 -4.56 116.67 111.96 1b8t s ASP 45 Ca 0.14 -1.71 -0.09 0.00 0.18 0.00 0.00 52.55 51.07 1b8t s ASP 45 Cb -0.04 0.53 -0.07 0.00 1.07 0.00 0.00 42.92 44.42 1b8t s ASP 45 CO 0.04 -1.02 2.49 -0.24 1.18 0.00 0.00 175.17 177.63 1b8t n SER 46 N -1.38 6.54 -3.65 0.27 2.88 -1.26 -4.47 113.62 112.54 1b8t n SER 46 Ca 0.05 -2.47 -0.06 0.00 -1.33 0.00 0.00 58.87 55.06 1b8t n SER 46 Cb 0.63 -1.33 -0.07 0.00 -0.75 0.00 0.00 64.21 62.69 1b8t n SER 46 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1b8t s THR 47 N 2.90 -0.36 -1.51 2.46 2.01 -1.26 -4.92 115.64 114.96 1b8t s THR 47 Ca 0.54 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.40 1b8t s THR 47 Cb 0.14 -0.93 0.14 0.00 0.01 0.00 0.00 72.50 71.86 1b8t s THR 47 CO -0.04 0.01 0.62 1.07 -0.69 0.00 0.00 174.62 175.58 1b8t n THR 48 N 4.75 -0.71 -4.20 -0.82 5.66 -1.26 -4.84 114.28 112.85 1b8t n THR 48 Ca -0.17 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 1b8t n THR 48 Cb 0.55 -1.33 -0.07 0.00 -1.55 0.00 0.00 70.33 67.93 1b8t n THR 48 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b8t s VAL 49 N -3.08 3.82 0.13 1.08 0.11 -1.26 -0.15 120.40 121.04 1b8t s VAL 49 Ca 0.63 -1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1b8t s VAL 49 Cb -0.35 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 1b8t s VAL 49 CO 0.77 -0.17 0.12 0.00 -3.33 0.00 0.00 175.10 172.48 1b8t s ALA 50 N -1.86 0.51 0.22 1.54 0.00 0.10 -4.76 121.76 117.50 1b8t s ALA 50 Ca 0.29 -1.22 0.11 0.00 0.00 0.00 0.00 51.96 51.14 1b8t s ALA 50 Cb -0.09 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 1b8t s ALA 50 CO 0.20 -0.52 -0.20 0.08 0.00 0.00 0.00 175.76 175.32 1b8t s VAL 51 N -4.00 2.21 0.00 0.00 1.01 -1.26 -0.96 120.40 117.40 1b8t s VAL 51 Ca 0.19 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1b8t s VAL 51 Cb 0.06 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1b8t s VAL 51 CO -0.01 -0.32 0.00 1.57 0.00 0.00 0.00 175.10 176.34 1b8t n HIS 52 N -0.13 0.00 -3.98 5.22 -0.00 -0.38 -4.92 115.22 111.03 1b8t n HIS 52 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.29 1b8t n HIS 52 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.56 1b8t n HIS 52 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b8t n GLY 53 N -0.13 -0.56 4.39 1.57 0.00 -1.26 0.25 105.19 109.46 1b8t n GLY 53 Ca 0.00 0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.67 -0.92 -3.65 1.61 10.43 -1.26 -4.85 116.55 115.24 1b8t n ASP 54 Ca -0.21 -1.22 -0.12 0.00 2.57 0.00 0.00 54.79 55.82 1b8t n ASP 54 Cb 0.63 -1.54 -0.05 0.00 1.84 0.00 0.00 41.12 42.00 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1b8t s GLU 55 N -7.11 1.70 -0.07 -1.24 8.01 0.14 -5.16 118.70 114.97 1b8t s GLU 55 Ca 0.56 -1.50 0.03 0.00 0.01 0.00 0.00 54.97 54.07 1b8t s GLU 55 Cb -0.32 0.45 -0.02 0.00 -4.31 0.00 0.00 34.13 29.92 1b8t s GLU 55 CO 0.99 -0.70 -0.16 0.96 0.01 0.00 0.00 175.26 176.36 1b8t s ILE 56 N -3.55 2.92 -0.04 -1.63 -4.36 -1.26 -1.25 121.20 112.04 1b8t s ILE 56 Ca 0.27 -0.76 -0.05 0.00 -0.26 0.00 0.00 60.65 59.85 1b8t s ILE 56 Cb -0.00 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.57 1b8t s ILE 56 CO 0.14 0.58 0.12 -0.31 0.24 0.00 0.00 174.94 175.70 1b8t s TYR 57 N -0.45 -0.09 0.45 1.37 2.02 -0.13 -1.35 117.35 119.17 1b8t s TYR 57 Ca 0.05 0.22 -0.23 0.00 -0.37 0.00 0.00 57.07 56.75 1b8t s TYR 57 Cb -0.12 0.02 -0.08 0.00 -0.40 0.00 0.00 41.96 41.39 1b8t s TYR 57 CO 0.02 -0.10 1.14 0.00 -1.57 0.00 0.00 175.55 175.03 1b8t n LYS 59 N -0.45 -0.02 -0.02 0.00 0.00 0.79 -0.47 118.16 117.98 1b8t n LYS 59 Ca 0.07 0.93 -0.01 0.00 0.00 0.00 0.00 58.31 59.31 1b8t n LYS 59 Cb 0.49 -1.40 -0.01 0.00 0.00 0.00 0.00 35.03 34.11 1b8t n LYS 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1b8t n SER 60 N -3.04 -0.06 -0.33 3.14 7.64 -1.26 0.17 113.62 119.87 1b8t n SER 60 Ca 0.00 0.68 -0.02 0.00 1.01 0.00 0.00 58.87 60.54 1b8t n SER 60 Cb 0.01 -0.30 0.03 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.05 -1.23 0.00 0.00 3.20 0.44 1.33 116.97 120.66 1b8t h TYR 62 Ca 0.31 0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1b8t h TYR 62 Cb 0.58 0.63 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1b8t h TYR 62 CO -0.80 -0.41 0.00 0.78 -1.64 0.00 0.00 178.16 176.09 1b8t h GLY 63 N -0.17 0.00 0.20 1.82 0.00 0.19 -0.48 103.07 104.62 1b8t h GLY 63 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1b8t h GLY 63 CO -0.74 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 176.29 1b8t h LYS 64 N 0.00 -0.02 -0.13 4.80 6.56 0.56 0.39 116.57 128.74 1b8t h LYS 64 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1b8t h LYS 64 Cb 0.30 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 1b8t h LYS 64 CO 0.00 0.74 0.03 -0.22 -2.06 0.00 0.00 179.45 177.93 1b8t h LYS 65 N -0.82 0.21 -0.09 3.15 3.64 -0.05 -3.16 116.57 119.44 1b8t h LYS 65 Ca -0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1b8t h LYS 65 Cb 0.76 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1b8t h LYS 65 CO 0.00 0.38 0.01 1.88 -2.27 0.00 0.00 179.45 179.45 1b8t h TYR 66 N 0.00 0.17 0.00 1.91 0.05 -1.20 -3.42 116.97 114.48 1b8t h TYR 66 Ca 0.04 -0.03 -0.42 0.00 0.05 0.00 0.00 58.73 58.37 1b8t h TYR 66 Cb 0.27 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.88 1b8t h TYR 66 CO 0.01 0.39 1.59 0.41 -1.05 0.00 0.00 178.16 179.51 1b8t n GLY 67 N -0.34 -0.43 3.76 3.88 0.00 0.14 -4.85 105.19 107.34 1b8t n GLY 67 Ca -0.06 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 1b8t n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 68 N 7.61 -0.59 0.18 1.61 0.04 -1.26 -4.93 135.00 137.66 1b8t s PRO 68 Ca 1.19 -0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.64 1b8t s PRO 68 Cb -1.05 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 31.86 1b8t s PRO 68 CO 0.44 -3.24 0.62 -1.59 0.04 0.00 0.00 177.00 173.27 1b8t s LYS 69 N -5.74 1.38 -0.01 4.56 -2.85 -1.26 -5.18 119.74 110.63 1b8t s LYS 69 Ca 0.74 -0.58 -0.30 0.00 -1.00 0.00 0.00 55.97 54.84 1b8t s LYS 69 Cb -0.05 0.59 0.11 0.00 -2.06 0.00 0.00 37.83 36.43 1b8t s LYS 69 CO 0.55 -0.61 1.29 0.20 0.10 0.00 0.00 175.35 176.87 1b8t s GLY 70 N -2.79 -0.33 -0.27 0.59 0.00 -1.26 -5.18 107.32 98.09 1b8t s GLY 70 Ca 0.03 0.51 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 1b8t s GLY 70 CO -0.09 1.60 1.27 1.25 0.00 0.00 0.00 173.10 177.13 1b8t s LYS 71 N -2.30 0.23 0.21 2.90 2.20 -1.26 -5.19 119.74 116.53 1b8t s LYS 71 Ca 0.18 0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.71 1b8t s LYS 71 Cb 0.03 0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.52 1b8t s LYS 71 CO -0.03 -0.05 0.89 0.20 -0.36 0.00 0.00 175.35 176.00 1b8t s GLY 72 N -0.48 -0.13 0.14 5.54 0.00 -1.26 -5.19 107.32 105.94 1b8t s GLY 72 Ca 0.05 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.43 1b8t s GLY 72 CO -0.08 0.13 1.03 -1.59 0.00 0.00 0.00 173.10 172.58 1b8t s LYS 73 N -3.32 1.11 0.28 2.90 0.00 -1.26 -5.19 119.74 114.26 1b8t s LYS 73 Ca 0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 55.97 55.40 1b8t s LYS 73 Cb -0.03 0.36 0.02 0.00 0.00 0.00 0.00 37.83 38.18 1b8t s LYS 73 CO 0.04 -0.51 0.47 0.41 0.00 0.00 0.00 175.35 175.76 1b8t n GLY 74 N -0.53 1.87 3.61 0.59 0.00 -1.26 -5.19 105.19 104.28 1b8t n GLY 74 Ca -0.06 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 1b8t n GLY 74 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1b8t s MET 75 N -2.38 0.21 -0.04 1.61 1.75 -1.26 -5.19 119.30 114.00 1b8t s MET 75 Ca 0.18 -0.10 -0.31 0.00 -1.25 0.00 0.00 55.69 54.21 1b8t s MET 75 Cb -0.02 0.09 0.13 0.00 2.84 0.00 0.00 34.83 37.87 1b8t s MET 75 CO 0.13 -0.10 1.34 0.20 -0.65 0.00 0.00 175.02 175.94 1b8t s GLY 76 N -2.43 -0.43 -0.02 2.11 0.00 -1.26 -5.19 107.32 100.10 1b8t s GLY 76 Ca 0.12 0.74 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 1b8t s GLY 76 CO -0.04 0.48 1.30 0.00 0.00 0.00 0.00 173.10 174.84 1b8t s ALA 77 N -2.27 -2.33 0.00 3.20 0.00 -1.26 -5.19 121.76 113.91 1b8t s ALA 77 Ca 0.15 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1b8t s ALA 77 Cb 0.06 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1b8t s ALA 77 CO -0.05 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1b8t n GLY 78 N -0.63 2.67 3.63 0.00 0.00 -1.26 -5.18 105.19 104.42 1b8t n GLY 78 Ca -0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1b8t n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b8t s THR 79 N -1.48 0.00 0.33 2.61 -1.32 -1.26 -5.18 115.64 109.33 1b8t s THR 79 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1b8t s THR 79 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1b8t s THR 79 CO 0.00 0.00 0.19 -0.76 -2.21 0.00 0.00 174.62 171.84 1b8t s LEU 80 N 0.12 1.73 -0.28 9.08 1.02 -1.26 -5.17 118.68 123.91 1b8t s LEU 80 Ca 0.02 -1.63 -0.28 0.00 0.02 0.00 0.00 54.13 52.26 1b8t s LEU 80 Cb -0.05 0.25 0.19 0.00 0.02 0.00 0.00 46.19 46.61 1b8t s LEU 80 CO -0.05 -0.94 1.36 -0.94 0.02 0.00 0.00 176.35 175.80 1b8t s SER 81 N -3.41 -0.05 -0.15 2.29 1.04 -1.26 -5.19 113.70 106.98 1b8t s SER 81 Ca 0.35 0.07 -0.32 0.00 0.48 0.00 0.00 55.95 56.53 1b8t s SER 81 Cb 0.04 0.06 0.13 0.00 0.10 0.00 0.00 66.02 66.35 1b8t s SER 81 CO 0.20 -0.04 1.09 0.28 0.98 0.00 0.00 173.24 175.74 1b8t s THR 82 N -0.85 0.00 -0.26 2.02 -1.32 -1.26 -5.18 115.64 108.80 1b8t s THR 82 Ca 0.08 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.29 1b8t s THR 82 Cb -0.02 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.13 1b8t s THR 82 CO -0.09 0.00 1.20 -0.62 -2.21 0.00 0.00 174.62 172.90 1b8t s ASP 83 N -1.87 -0.25 -0.10 8.08 3.68 -1.26 -5.19 116.67 119.77 1b8t s ASP 83 Ca 0.05 0.40 -0.33 0.00 2.13 0.00 0.00 52.55 54.81 1b8t s ASP 83 Cb -0.01 0.38 0.14 0.00 -1.45 0.00 0.00 42.92 41.98 1b8t s ASP 83 CO -0.05 -0.13 1.32 -0.75 0.13 0.00 0.00 175.17 175.69 1b8t s LYS 84 N -0.34 0.25 0.00 4.34 2.20 -1.26 -5.18 119.74 119.75 1b8t s LYS 84 Ca 0.04 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1b8t s LYS 84 Cb -0.03 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1b8t s LYS 84 CO -0.08 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1b8t n GLY 85 N -0.37 1.60 0.00 5.54 0.00 -1.26 -5.19 105.19 105.52 1b8t n GLY 85 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1b8t n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b8t n GLU 86 N -0.16 0.00 0.00 1.61 2.13 -1.26 -5.18 120.64 117.78 1b8t n GLU 86 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b8t n GLU 86 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b8t n GLU 86 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b8t n SER 87 N 0.00 0.00 -3.64 4.31 2.88 -1.26 -5.18 113.62 110.73 1b8t n SER 87 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1b8t n SER 87 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1b8t n SER 87 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1b8t s LEU 88 N 0.00 -0.10 0.00 2.46 1.98 -1.26 -5.18 118.68 116.58 1b8t s LEU 88 Ca 0.00 0.15 0.00 0.00 -2.89 0.00 0.00 54.13 51.39 1b8t s LEU 88 Cb 0.00 1.21 0.00 0.00 0.66 0.00 0.00 46.19 48.06 1b8t s LEU 88 CO 0.00 -0.06 0.00 0.61 -1.89 0.00 0.00 176.35 175.01 1b8t n GLY 89 N 1.08 2.76 3.02 7.98 0.00 -1.26 -5.17 105.19 113.60 1b8t n GLY 89 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1b8t n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b8t s ILE 90 N -0.55 0.00 0.18 -0.61 1.09 -1.26 -5.16 121.20 114.89 1b8t s ILE 90 Ca 0.00 -0.03 -0.23 0.00 -1.10 0.00 0.00 60.65 59.29 1b8t s ILE 90 Cb 0.00 -0.22 0.06 0.00 -1.06 0.00 0.00 42.46 41.25 1b8t s ILE 90 CO 0.00 -0.02 0.62 -0.75 -0.10 0.00 0.00 174.94 174.69 1b8t s LYS 91 N 0.01 1.35 -0.20 2.79 2.47 -1.26 -5.18 119.74 119.72 1b8t s LYS 91 Ca -0.01 -0.54 -0.29 0.00 -1.56 0.00 0.00 55.97 53.57 1b8t s LYS 91 Cb -0.01 0.59 0.14 0.00 -1.46 0.00 0.00 37.83 37.09 1b8t s LYS 91 CO 0.00 -0.60 1.07 -0.47 0.16 0.00 0.00 175.35 175.51 1b8t s TYR 92 N -3.77 -0.32 0.07 4.03 5.04 -1.26 -5.19 117.35 115.95 1b8t s TYR 92 Ca 0.02 0.59 -0.27 0.00 -2.44 0.00 0.00 57.07 54.97 1b8t s TYR 92 Cb -0.02 0.45 0.09 0.00 0.35 0.00 0.00 41.96 42.83 1b8t s TYR 92 CO -0.10 -0.28 0.95 -2.00 -1.34 0.00 0.00 175.55 172.79 1b8t s GLU 93 N -0.91 0.97 -0.02 4.97 2.12 -1.26 -5.19 118.70 119.37 1b8t s GLU 93 Ca 0.01 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 1b8t s GLU 93 Cb -0.01 0.37 0.12 0.00 0.26 0.00 0.00 34.13 34.87 1b8t s GLU 93 CO -0.01 -0.44 1.21 -1.83 -0.54 0.00 0.00 175.26 173.66 1b8t s GLU 94 N -3.15 0.51 -0.09 4.30 -1.05 -1.26 -5.19 118.70 112.77 1b8t s GLU 94 Ca 0.09 -0.26 -0.32 0.00 -0.15 0.00 0.00 54.97 54.33 1b8t s GLU 94 Cb -0.01 0.18 0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1b8t s GLU 94 CO -0.03 -0.23 1.04 0.20 0.95 0.00 0.00 175.26 177.19 1b8t s GLY 95 N -2.81 -0.38 -0.13 -3.83 0.00 -1.26 -5.17 107.32 93.73 1b8t s GLY 95 Ca 0.13 1.28 -0.10 0.00 0.00 0.00 0.00 44.72 46.03 1b8t s GLY 95 CO -0.03 0.43 0.32 1.20 0.00 0.00 0.00 173.10 175.02 1b8t s GLN 96 N -2.79 0.36 -0.12 2.90 -0.21 -1.26 -5.16 119.66 113.38 1b8t s GLN 96 Ca 0.07 0.50 -0.30 0.00 0.02 0.00 0.00 55.36 55.66 1b8t s GLN 96 Cb -0.01 0.12 0.09 0.00 1.00 0.00 0.00 33.01 34.21 1b8t s GLN 96 CO -0.07 -0.07 0.78 0.45 -2.12 0.00 0.00 175.29 174.26 1b8t s SER 97 N 0.45 -0.59 -0.03 5.90 0.15 -1.26 -5.18 113.70 113.14 1b8t s SER 97 Ca -0.02 0.76 -0.30 0.00 0.70 0.00 0.00 55.95 57.09 1b8t s SER 97 Cb -0.04 0.64 0.12 0.00 -1.71 0.00 0.00 66.02 65.03 1b8t s SER 97 CO -0.02 -0.47 1.31 -2.28 1.20 0.00 0.00 173.24 172.98 1b8t s HIS 98 N -0.85 -0.01 -0.36 3.44 5.04 -1.26 -5.13 115.29 116.15 1b8t s HIS 98 Ca -0.06 -0.08 -0.03 0.00 -1.54 0.00 0.00 55.06 53.34 1b8t s HIS 98 Cb -0.01 0.55 0.19 0.00 0.04 0.00 0.00 32.58 33.34 1b8t s HIS 98 CO 0.06 -0.24 0.92 1.03 -2.34 0.00 0.00 174.74 174.17 1b8t s ARG 99 N -2.22 0.42 0.09 2.88 0.52 -1.26 -5.14 118.95 114.23 1b8t s ARG 99 Ca 0.20 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 1b8t s ARG 99 Cb 0.03 0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.48 1b8t s ARG 99 CO -0.03 -0.58 1.15 -1.25 0.02 0.00 0.00 175.30 174.61 1b8t s PRO 100 N 1.76 4.48 -0.04 3.54 0.04 -1.26 -5.03 135.00 138.49 1b8t s PRO 100 Ca 0.17 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 1b8t s PRO 100 Cb 0.02 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1b8t s PRO 100 CO -0.12 -0.16 0.15 0.99 0.04 0.00 0.00 177.00 177.91 1b8t s THR 101 N 0.72 0.02 -0.11 1.26 2.01 -1.26 -5.16 115.64 113.13 1b8t s THR 101 Ca 0.56 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 1b8t s THR 101 Cb -0.29 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 71.99 1b8t s THR 101 CO 0.31 -0.10 0.26 0.21 -0.69 0.00 0.00 174.62 174.61 1b8t s ASN 102 N -0.30 -0.29 1.09 3.53 2.47 -1.26 -5.16 114.94 115.02 1b8t s ASN 102 Ca -0.04 0.55 -0.18 0.00 0.42 0.00 0.00 52.86 53.62 1b8t s ASN 102 Cb -0.03 0.47 0.25 0.00 -1.45 0.00 0.00 41.25 40.49 1b8t s ASN 102 CO 0.01 -0.15 1.22 -2.16 -3.72 0.00 0.00 177.10 172.30 1b8t s PRO 103 N 0.97 -0.35 -0.30 0.43 0.04 -1.26 -5.10 135.00 129.44 1b8t s PRO 103 Ca -0.07 -0.27 -0.15 0.00 0.04 0.00 0.00 61.00 60.55 1b8t s PRO 103 Cb -0.08 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.91 1b8t s PRO 103 CO -0.07 -3.10 0.98 0.54 0.04 0.00 0.00 177.00 175.40 1b8t s ASN 104 N -4.43 -0.59 -0.27 6.66 2.20 -1.26 -5.17 114.94 112.09 1b8t s ASN 104 Ca 0.73 0.81 -0.25 0.00 -0.94 0.00 0.00 52.86 53.21 1b8t s ASN 104 Cb -0.06 1.65 0.12 0.00 -2.00 0.00 0.00 41.25 40.96 1b8t s ASN 104 CO 0.55 -0.11 1.03 0.00 -2.94 0.00 0.00 177.10 175.62 1b8t s ALA 105 N 2.42 -1.97 -0.04 3.54 0.00 -1.26 -5.18 121.76 119.27 1b8t s ALA 105 Ca -0.03 1.85 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 1b8t s ALA 105 Cb -0.06 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.76 1b8t s ALA 105 CO -0.17 -0.24 0.67 -1.54 0.00 0.00 0.00 175.76 174.47 1b8t s SER 106 N 0.12 -0.65 -0.04 0.00 1.04 -1.26 -5.18 113.70 107.73 1b8t s SER 106 Ca 0.03 0.67 -0.18 0.00 0.48 0.00 0.00 55.95 56.95 1b8t s SER 106 Cb -0.05 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1b8t s SER 106 CO -0.05 -0.63 0.40 -0.60 0.98 0.00 0.00 173.24 173.33 1b8t s ARG 107 N -1.33 0.72 0.11 4.02 6.06 -1.26 -5.17 118.95 122.10 1b8t s ARG 107 Ca -0.10 0.00 0.10 0.00 -2.50 0.00 0.00 55.73 53.22 1b8t s ARG 107 Cb -0.00 0.33 -0.04 0.00 0.06 0.00 0.00 34.95 35.30 1b8t s ARG 107 CO 0.09 -0.19 -0.22 -1.64 -2.50 0.00 0.00 175.30 170.83 1b8t s MET 108 N -1.08 1.66 -0.23 5.12 -1.94 -1.26 -5.12 119.30 116.44 1b8t s MET 108 Ca -0.11 -1.22 -0.07 0.00 -1.71 0.00 0.00 55.69 52.57 1b8t s MET 108 Cb -0.04 -2.03 0.11 0.00 2.01 0.00 0.00 34.83 34.88 1b8t s MET 108 CO 0.05 0.48 0.48 0.00 -0.01 0.00 0.00 175.02 176.02 1b8t s ALA 109 N -1.07 -1.42 -0.30 3.03 0.00 -1.26 -5.13 121.76 115.61 1b8t s ALA 109 Ca 0.16 1.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.69 1b8t s ALA 109 Cb -0.10 -1.50 0.16 0.00 0.00 0.00 0.00 23.12 21.68 1b8t s ALA 109 CO 0.07 -0.86 0.87 -0.65 0.00 0.00 0.00 175.76 175.19 1b8t s GLN 110 N 2.69 0.37 0.01 0.00 -0.21 -1.26 -5.16 119.66 116.10 1b8t s GLN 110 Ca -0.01 0.85 0.02 0.00 0.02 0.00 0.00 55.36 56.24 1b8t s GLN 110 Cb -0.12 0.50 -0.01 0.00 1.00 0.00 0.00 33.01 34.38 1b8t s GLN 110 CO -0.15 -0.23 -0.06 0.21 -2.12 0.00 0.00 175.29 172.94 1b8t s LYS 111 N 2.70 0.47 -0.11 2.91 2.47 -1.26 -5.15 119.74 121.78 1b8t s LYS 111 Ca 0.01 -0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 53.79 1b8t s LYS 111 Cb -0.09 -0.41 0.08 0.00 -1.46 0.00 0.00 37.83 35.94 1b8t s LYS 111 CO -0.17 0.11 0.73 0.54 0.16 0.00 0.00 175.35 176.72 1b8t s VAL 112 N -0.43 0.00 -0.06 4.02 0.11 -1.26 -5.18 120.40 117.61 1b8t s VAL 112 Ca -0.01 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1b8t s VAL 112 Cb -0.04 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.92 1b8t s VAL 112 CO -0.00 0.00 0.95 -0.83 -3.33 0.00 0.00 175.10 171.89 1b8t s GLY 113 N -0.85 -0.41 -0.34 6.54 0.00 -1.26 -5.14 107.32 105.85 1b8t s GLY 113 Ca -0.08 1.27 0.03 0.00 0.00 0.00 0.00 44.72 45.95 1b8t s GLY 113 CO 0.07 0.49 0.70 -0.32 0.00 0.00 0.00 173.10 174.04 1b8t s GLY 114 N -2.19 -1.27 0.00 0.20 0.00 -1.26 -5.15 107.32 97.65 1b8t s GLY 114 Ca 0.04 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1b8t s GLY 114 CO -0.06 3.79 0.00 1.44 0.00 0.00 0.00 173.10 178.26 1b8t n SER 115 N 4.78 0.00 -3.63 1.64 7.64 -1.26 -4.99 113.62 117.81 1b8t n SER 115 Ca 0.08 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.99 1b8t n SER 115 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1b8t n SER 115 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1b8t s ASP 116 N 0.00 -0.02 0.52 6.43 1.01 -0.67 -5.03 116.67 118.91 1b8t s ASP 116 Ca 0.00 -0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.23 1b8t s ASP 116 Cb 0.00 0.07 0.03 0.00 1.01 0.00 0.00 42.92 44.02 1b8t s ASP 116 CO 0.00 -0.12 0.72 -0.83 0.21 0.00 0.00 175.17 175.15 1b8t s GLY 117 N -3.12 1.86 -0.42 0.21 0.00 -1.26 0.38 107.32 104.97 1b8t s GLY 117 Ca 0.17 -1.44 -0.17 0.00 0.00 0.00 0.00 44.72 43.28 1b8t s GLY 117 CO -0.05 -1.18 0.43 0.00 0.00 0.00 0.00 173.10 172.30 1b8t n PRO 119 N 5.58 0.74 -0.01 0.00 -0.04 -1.26 0.54 135.00 140.55 1b8t n PRO 119 Ca -0.07 0.00 -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 -1.01 0.03 0.09 0.54 3.00 -1.26 -4.66 116.66 113.39 1b8t n ARG 120 Ca 0.18 0.19 -0.16 0.00 -0.00 0.00 0.00 57.85 58.06 1b8t n ARG 120 Cb 0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 32.46 31.67 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 1.59 1.82 3.74 0.00 0.00 0.19 -5.06 105.19 107.46 1b8t n GLY 122 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 2.08 -1.20 1.61 6.02 -1.25 -4.17 117.38 120.26 1b8t n GLN 123 Ca 0.00 0.74 -0.32 0.00 -0.01 0.00 0.00 57.00 57.41 1b8t n GLN 123 Cb 0.00 -2.57 0.11 0.00 1.02 0.00 0.00 30.24 28.81 1b8t n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b8t s ALA 124 N -1.21 1.98 -0.14 -1.58 0.00 -1.26 0.15 121.76 119.70 1b8t s ALA 124 Ca 0.63 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 1b8t s ALA 124 Cb -0.46 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.30 1b8t s ALA 124 CO 0.56 -2.07 -0.03 0.08 0.00 0.00 0.00 175.76 174.30 1b8t s VAL 125 N -2.42 0.83 0.00 0.00 1.01 0.16 -4.62 120.40 115.36 1b8t s VAL 125 Ca 0.68 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1b8t s VAL 125 Cb -0.24 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1b8t s VAL 125 CO 0.51 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1b8t n TYR 126 N 4.98 -1.03 -1.41 5.22 4.11 -1.26 -1.67 117.16 126.09 1b8t n TYR 126 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.80 1b8t n TYR 126 Cb 0.48 0.29 0.00 0.00 -0.00 0.00 0.00 39.34 40.11 1b8t n TYR 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b8t n ALA 127 N -2.08 0.00 -1.08 -3.48 0.00 -1.26 -4.94 120.51 107.66 1b8t n ALA 127 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1b8t n ALA 127 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -4.39 -2.62 0.00 0.00 -1.26 -3.66 120.51 105.57 1b8t n ALA 128 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 1b8t n ALA 128 Cb 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.20 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 1.81 -2.48 -4.46 0.00 4.07 -1.26 -5.05 120.64 113.28 1b8t n GLU 129 Ca 0.02 0.47 -0.22 0.00 -0.06 0.00 0.00 57.16 57.37 1b8t n GLU 129 Cb 0.53 -4.11 -0.16 0.00 -0.06 0.00 0.00 31.44 27.64 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 -4.27 1.25 0.05 5.31 2.20 -1.24 -4.16 119.74 118.88 1b8t s LYS 130 Ca 0.12 -0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 1b8t s LYS 130 Cb -0.02 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.17 1b8t s LYS 130 CO 0.40 0.07 -0.14 0.54 -0.36 0.00 0.00 175.35 175.85 1b8t s VAL 131 N 0.45 1.11 -0.17 4.02 0.11 0.14 -4.69 120.40 121.37 1b8t s VAL 131 Ca -0.08 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 1b8t s VAL 131 Cb -0.12 -1.03 0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1b8t s VAL 131 CO 0.02 -0.07 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.01 1b8t s ILE 132 N -0.98 1.36 0.05 7.04 1.01 -1.26 -0.74 121.20 127.68 1b8t s ILE 132 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 1b8t s ILE 132 Cb -0.08 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1b8t s ILE 132 CO 0.02 0.20 0.32 -0.83 0.00 0.00 0.00 174.94 174.64 1b8t s GLY 133 N 1.53 -0.14 -1.43 6.18 0.00 0.84 -4.78 107.32 109.52 1b8t s GLY 133 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 1b8t s GLY 133 CO -0.08 -0.19 0.42 0.00 0.00 0.00 0.00 173.10 173.25 1b8t n ALA 134 N 0.55 -1.96 -4.22 3.20 0.00 -1.26 0.24 120.51 117.06 1b8t n ALA 134 Ca -0.18 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.64 1b8t n ALA 134 Cb 0.60 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.98 -0.44 3.35 0.00 0.00 -1.26 -4.68 105.19 100.18 1b8t n GLY 135 Ca -0.29 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1b8t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 136 N -6.93 1.18 -0.03 1.61 -0.14 0.14 -5.12 119.74 110.44 1b8t s LYS 136 Ca 0.72 -1.19 0.06 0.00 -1.36 0.00 0.00 55.97 54.20 1b8t s LYS 136 Cb -0.39 0.38 -0.01 0.00 -1.68 0.00 0.00 37.83 36.12 1b8t s LYS 136 CO 0.93 -0.43 -0.20 0.45 -0.76 0.00 0.00 175.35 175.33 1b8t s SER 137 N -2.97 2.45 0.31 2.83 0.15 -1.26 -0.11 113.70 115.09 1b8t s SER 137 Ca 0.18 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.26 1b8t s SER 137 Cb 0.03 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1b8t s SER 137 CO 0.01 0.23 0.71 -1.66 1.20 0.00 0.00 173.24 173.72 1b8t s TRP 138 N -0.30 -0.03 -0.22 3.44 -2.14 0.08 -4.08 118.94 115.70 1b8t s TRP 138 Ca 0.03 -0.47 -0.29 0.00 2.66 0.00 0.00 56.10 58.03 1b8t s TRP 138 Cb -0.10 0.68 0.01 0.00 -3.10 0.00 0.00 33.47 30.96 1b8t s TRP 138 CO 0.01 -1.30 1.07 -1.01 -2.66 0.00 0.00 176.95 173.05 1b8t s HIS 139 N -3.48 3.28 0.58 1.66 3.76 -1.26 0.27 115.29 120.09 1b8t s HIS 139 Ca 0.14 1.41 0.35 0.00 -0.15 0.00 0.00 55.06 56.80 1b8t s HIS 139 Cb -0.05 -3.30 1.34 0.00 1.11 0.00 0.00 32.58 31.67 1b8t s HIS 139 CO 0.09 -0.64 1.57 1.57 -0.85 0.00 0.00 174.74 176.47 1b8t h LYS 140 N 7.55 0.00 0.30 1.40 2.10 -1.84 0.87 116.57 126.95 1b8t h LYS 140 Ca -0.20 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 1b8t h LYS 140 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1b8t h LYS 140 CO 0.98 0.00 -0.15 0.77 -2.00 0.00 0.00 179.45 179.05 1b8t h SER 141 N 0.00 -0.35 0.45 7.07 0.02 -1.88 -3.33 113.55 115.52 1b8t h SER 141 Ca 0.56 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1b8t h SER 141 Cb 2.70 0.09 0.00 0.00 0.14 0.00 0.00 62.40 65.33 1b8t h SER 141 CO -0.01 0.06 -0.22 0.00 -1.14 0.00 0.00 176.83 175.53 1b8t n PHE 143 N -5.22 0.23 -4.13 0.00 7.35 0.18 -4.83 117.46 111.04 1b8t n PHE 143 Ca -0.10 0.16 -0.15 0.00 -0.76 0.00 0.00 57.45 56.59 1b8t n PHE 143 Cb 0.30 -1.13 -0.12 0.00 0.35 0.00 0.00 39.48 38.87 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 5.90 0.64 0.13 -4.13 1.70 -1.26 -1.50 118.95 120.44 1b8t s ARG 144 Ca 0.98 -0.75 -0.34 0.00 -0.47 0.00 0.00 55.73 55.14 1b8t s ARG 144 Cb -0.79 -0.52 -0.14 0.00 -0.57 0.00 0.00 34.95 32.94 1b8t s ARG 144 CO 0.38 0.11 1.59 0.00 -1.08 0.00 0.00 175.30 176.31 1b8t n ALA 146 N 3.67 4.43 0.00 0.00 0.00 -0.51 -0.22 120.51 127.87 1b8t n ALA 146 Ca 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1b8t n ALA 146 Cb 0.28 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.11 0.00 -0.01 0.00 3.00 -1.26 -4.87 118.16 115.12 1b8t n LYS 147 Ca 0.27 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.62 1b8t n LYS 147 Cb 0.80 -0.25 -0.09 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 1.93 1.67 3.39 0.00 0.00 0.69 -5.00 105.19 107.87 1b8t n GLY 149 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1b8t n GLY 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b8t n LYS 150 N -2.00 0.01 -3.26 1.61 4.81 -1.26 -4.28 118.16 113.78 1b8t n LYS 150 Ca 0.00 0.04 -0.38 0.00 -0.87 0.00 0.00 58.31 57.10 1b8t n LYS 150 Cb 0.00 -1.74 -0.06 0.00 0.02 0.00 0.00 35.03 33.25 1b8t n LYS 150 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1b8t s SER 151 N -1.65 6.87 0.29 3.14 1.04 -1.26 0.37 113.70 122.50 1b8t s SER 151 Ca 0.59 1.04 0.04 0.00 0.48 0.00 0.00 55.95 58.10 1b8t s SER 151 Cb -0.28 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.56 1b8t s SER 151 CO 0.65 0.09 0.35 0.18 0.98 0.00 0.00 173.24 175.49 1b8t n LEU 152 N 2.96 0.00 -2.68 2.42 4.77 -0.56 -4.89 117.00 119.01 1b8t n LEU 152 Ca -0.07 -1.35 -0.06 0.00 -0.03 0.00 0.00 56.01 54.50 1b8t n LEU 152 Cb 0.51 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1b8t n LEU 152 CO 0.43 -0.55 0.56 1.21 -1.33 0.00 0.00 177.39 177.71 1b8t n GLU 153 N -1.50 0.68 0.00 3.23 0.00 -1.26 -4.78 120.64 117.00 1b8t n GLU 153 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 57.16 55.93 1b8t n GLU 153 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 31.44 31.58 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1b8t n SER 154 N -0.31 0.00 -4.87 4.31 2.88 -1.26 -4.87 113.62 109.50 1b8t n SER 154 Ca -0.11 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.12 1b8t n SER 154 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1b8t n SER 154 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1b8t s THR 155 N 0.00 4.70 -1.34 2.46 -1.32 -1.26 -3.75 115.64 115.13 1b8t s THR 155 Ca 0.00 0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 61.33 1b8t s THR 155 Cb 0.00 -3.85 0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1b8t s THR 155 CO 0.00 -1.09 0.22 0.41 -2.21 0.00 0.00 174.62 171.95 1b8t n THR 156 N -2.61 -1.03 -4.31 5.08 -1.04 -1.26 -4.95 114.28 104.16 1b8t n THR 156 Ca 0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 1b8t n THR 156 Cb 0.54 -2.35 -0.08 0.00 -1.82 0.00 0.00 70.33 66.63 1b8t n THR 156 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b8t s LEU 157 N -6.09 3.11 -0.05 -4.42 2.96 -1.25 -1.28 118.68 111.65 1b8t s LEU 157 Ca 0.14 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1b8t s LEU 157 Cb -0.07 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.04 1b8t s LEU 157 CO 0.17 -0.03 0.00 0.00 -1.32 0.00 0.00 176.35 175.17 1b8t s ALA 158 N -2.37 0.54 -0.47 5.97 0.00 0.70 -4.57 121.76 121.55 1b8t s ALA 158 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1b8t s ALA 158 Cb -0.05 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.61 1b8t s ALA 158 CO 0.19 -0.28 0.37 0.16 0.00 0.00 0.00 175.76 176.20 1b8t s ASP 159 N 1.56 5.87 -0.84 0.00 -4.77 -1.26 0.24 116.67 117.48 1b8t s ASP 159 Ca -0.02 -1.69 -0.16 0.00 -3.30 0.00 0.00 52.55 47.38 1b8t s ASP 159 Cb -0.13 -2.08 0.18 0.00 -1.09 0.00 0.00 42.92 39.80 1b8t s ASP 159 CO -0.03 -0.69 0.88 -0.75 0.70 0.00 0.00 175.17 175.29 1b8t s LYS 160 N 1.48 3.55 -1.02 2.11 2.20 0.78 -4.63 119.74 124.22 1b8t s LYS 160 Ca 0.04 -2.13 -0.19 0.00 -0.36 0.00 0.00 55.97 53.34 1b8t s LYS 160 Cb -0.26 -4.58 0.03 0.00 -1.51 0.00 0.00 37.83 31.50 1b8t s LYS 160 CO 0.02 -1.48 0.63 -3.47 -0.36 0.00 0.00 175.35 170.69 1b8t n ASP 161 N 5.05 -4.33 0.00 1.43 -0.08 -1.26 -0.26 116.55 117.10 1b8t n ASP 161 Ca 0.15 -1.14 0.00 0.00 -1.51 0.00 0.00 54.79 52.29 1b8t n ASP 161 Cb 0.47 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1b8t n ASP 161 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b8t n GLY 162 N -1.88 2.63 3.54 0.27 0.00 -1.26 -5.02 105.19 103.47 1b8t n GLY 162 Ca -0.21 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 0.08 -4.26 1.61 4.71 0.64 -4.87 120.64 118.55 1b8t n GLU 163 Ca 0.00 0.09 -0.21 0.00 -0.01 0.00 0.00 57.16 57.03 1b8t n GLU 163 Cb 0.00 -2.07 -0.16 0.00 -1.01 0.00 0.00 31.44 28.19 1b8t n GLU 163 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1b8t s ILE 164 N -2.13 0.67 0.16 -3.67 -4.36 -1.25 -0.15 121.20 110.46 1b8t s ILE 164 Ca 0.66 -0.20 0.03 0.00 -0.26 0.00 0.00 60.65 60.87 1b8t s ILE 164 Cb -0.29 -0.67 -0.01 0.00 1.25 0.00 0.00 42.46 42.74 1b8t s ILE 164 CO 0.58 0.25 0.15 -1.22 0.24 0.00 0.00 174.94 174.94 1b8t n TYR 165 N 3.99 -0.48 -3.89 1.37 4.01 0.14 -1.43 117.16 120.87 1b8t n TYR 165 Ca -0.24 -1.26 -0.33 0.00 -0.16 0.00 0.00 57.90 55.91 1b8t n TYR 165 Cb 0.51 0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.65 1b8t n TYR 165 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b8t h LYS 167 N 3.53 0.33 -0.35 0.00 1.63 -1.43 1.55 116.57 121.83 1b8t h LYS 167 Ca -0.47 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.39 1b8t h LYS 167 Cb 1.18 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 1b8t h LYS 167 CO 0.71 0.22 0.24 0.78 -3.45 0.00 0.00 179.45 177.95 1b8t h GLY 168 N 0.34 0.12 0.27 5.01 0.00 -1.94 0.43 103.07 107.30 1b8t h GLY 168 Ca 0.61 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.78 1b8t h GLY 168 CO -0.58 0.02 -0.60 0.00 0.00 0.00 0.00 176.54 175.38 1b8t h TYR 170 N -0.72 0.21 0.00 0.00 3.20 0.18 0.46 116.97 120.29 1b8t h TYR 170 Ca -0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1b8t h TYR 170 Cb 1.33 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1b8t h TYR 170 CO 0.21 0.10 -0.18 0.00 -1.64 0.00 0.00 178.16 176.65 1b8t h ALA 171 N 1.79 0.00 -0.03 1.82 0.00 -0.25 -3.28 119.26 119.31 1b8t h ALA 171 Ca 0.19 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1b8t h ALA 171 Cb 0.49 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1b8t h ALA 171 CO -0.03 0.18 -0.12 0.87 0.00 0.00 0.00 179.25 180.15 1b8t h LYS 172 N -0.55 -0.13 -1.79 0.00 1.79 -0.87 0.42 116.57 115.44 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 0.18 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 1b8t h LYS 172 CO 0.00 -0.09 1.27 -1.71 -1.08 0.00 0.00 179.45 177.85 1b8t n ASN 173 N -3.22 0.04 -2.86 0.86 5.15 0.16 0.11 115.26 115.50 1b8t n ASN 173 Ca -0.01 1.02 -0.28 0.00 -0.60 0.00 0.00 54.58 54.71 1b8t n ASN 173 Cb 0.09 -0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.80 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1b8t n PHE 174 N -3.99 3.77 -2.42 1.20 3.01 0.13 -5.02 117.46 114.14 1b8t n PHE 174 Ca 0.42 -3.61 0.00 0.00 1.01 0.00 0.00 57.45 55.27 1b8t n PHE 174 Cb 1.86 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 40.88 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 2.53 3.82 1.37 0.00 0.31 -4.78 105.19 108.13 1b8t n GLY 175 Ca 0.35 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1b8t n GLY 175 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8t s PRO 176 N -0.11 2.82 0.42 1.61 0.04 -1.26 -4.87 135.00 133.65 1b8t s PRO 176 Ca 0.00 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1b8t s PRO 176 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1b8t s PRO 176 CO 0.00 -1.17 0.00 1.63 0.04 0.00 0.00 177.00 177.50 1b8t n LYS 177 N -3.17 -2.60 0.00 4.56 4.01 -1.26 -4.97 118.16 114.73 1b8t n LYS 177 Ca 0.07 1.98 0.00 0.00 -0.51 0.00 0.00 58.31 59.85 1b8t n LYS 177 Cb 0.54 -3.19 0.00 0.00 -0.51 0.00 0.00 35.03 31.87 1b8t n LYS 177 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b8t n GLY 178 N -3.93 -1.97 2.79 0.72 0.00 -1.26 -4.91 105.19 96.63 1b8t n GLY 178 Ca -0.04 0.72 -0.03 0.00 0.00 0.00 0.00 46.02 46.67 1b8t n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b8t n PHE 179 N 0.00 -2.93 0.00 1.61 3.72 -1.26 -5.02 117.46 113.58 1b8t n PHE 179 Ca 0.00 1.65 0.00 0.00 -0.05 0.00 0.00 57.45 59.05 1b8t n PHE 179 Cb 0.00 -2.95 0.00 0.00 -0.94 0.00 0.00 39.48 35.59 1b8t n PHE 179 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b8t n GLY 180 N 1.83 1.07 2.75 1.37 0.00 -1.26 -5.06 105.19 105.88 1b8t n GLY 180 Ca -0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1b8t n GLY 180 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1b8t n PHE 181 N -0.26 -3.02 -2.70 1.61 7.35 -1.26 -5.04 117.46 114.14 1b8t n PHE 181 Ca 0.00 1.76 -0.03 0.00 -0.76 0.00 0.00 57.45 58.42 1b8t n PHE 181 Cb 0.00 -2.95 0.03 0.00 0.35 0.00 0.00 39.48 36.90 1b8t n PHE 181 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b8t n GLY 182 N 2.00 -1.37 3.29 7.13 0.00 -1.26 -5.16 105.19 109.83 1b8t n GLY 182 Ca -0.28 1.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.56 1b8t n GLY 182 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 183 N 0.93 1.15 0.00 1.61 -0.21 -1.26 -5.15 119.66 116.73 1b8t s GLN 183 Ca 0.25 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.40 1b8t s GLN 183 Cb 0.09 -1.32 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1b8t s GLN 183 CO -0.09 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.78 1b8t n GLY 184 N 0.82 1.87 3.15 3.09 0.00 -1.26 -5.14 105.19 107.73 1b8t n GLY 184 Ca -0.17 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.03 -3.36 0.15 4.61 0.00 -1.26 -5.17 121.76 114.70 1b8t s ALA 185 Ca 0.00 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.48 1b8t s ALA 185 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1b8t s ALA 185 CO 0.00 -1.57 -0.04 0.20 0.00 0.00 0.00 175.76 174.35 1b8t s GLY 186 N 2.94 1.76 -0.11 0.00 0.00 -1.26 -5.06 107.32 105.59 1b8t s GLY 186 Ca 0.07 -1.33 -0.05 0.00 0.00 0.00 0.00 44.72 43.40 1b8t s GLY 186 CO -0.15 -1.34 -0.09 0.00 0.00 0.00 0.00 173.10 171.52 1b8t h ALA 187 N 3.01 0.00 -2.10 3.20 0.00 -2.08 -3.49 119.26 117.80 1b8t h ALA 187 Ca -0.47 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 1b8t h ALA 187 Cb 1.19 0.26 -0.19 0.00 0.00 0.00 0.00 17.79 19.05 1b8t h ALA 187 CO 0.56 0.26 0.10 -0.48 0.00 0.00 0.00 179.25 179.69 1b8t s LEU 188 N -7.91 -0.36 0.06 0.00 2.34 -1.26 -5.18 118.68 106.37 1b8t s LEU 188 Ca -0.08 0.61 -0.26 0.00 0.06 0.00 0.00 54.13 54.47 1b8t s LEU 188 Cb 0.01 2.29 0.07 0.00 -0.56 0.00 0.00 46.19 47.99 1b8t s LEU 188 CO 0.11 -0.57 0.61 -0.51 -1.06 0.00 0.00 176.35 174.93 1b8t s ILE 189 N -1.18 0.01 0.21 1.48 2.07 -1.26 -5.11 121.20 117.42 1b8t s ILE 189 Ca -0.11 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1b8t s ILE 189 Cb -0.01 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1b8t s ILE 189 CO 0.09 -0.03 0.00 1.57 -1.91 0.00 0.00 174.94 174.66 1b8t n HIS 190 N 0.24 -3.93 -3.79 3.50 -0.00 -1.26 -5.02 115.22 104.96 1b8t n HIS 190 Ca -0.18 2.27 -0.25 0.00 0.46 0.00 0.00 57.72 60.01 1b8t n HIS 190 Cb 0.61 -3.32 -0.17 0.00 -0.12 0.00 0.00 29.99 26.99 1b8t n HIS 190 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1b8t s SER 191 N -0.87 2.20 0.00 0.26 0.01 -1.26 -5.29 113.70 108.75 1b8t s SER 191 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1b8t s SER 191 Cb 0.00 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1b8t s SER 191 CO 0.00 -0.22 0.36 1.67 0.41 0.00 0.00 173.24 175.47