#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 -0.10 0.17 0.03 0.04 -1.26 -5.10 135.00 128.78 1b8t s PRO 2 Ca 0.00 -0.17 -0.09 0.00 0.04 0.00 0.00 61.00 60.77 1b8t s PRO 2 Cb 0.00 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1b8t s PRO 2 CO 0.00 -2.95 0.30 0.54 0.04 0.00 0.00 177.00 174.93 1b8t s ASN 3 N -4.35 0.02 0.25 6.66 4.22 -1.26 -5.18 114.94 115.31 1b8t s ASN 3 Ca 0.71 -0.86 0.10 0.00 -2.14 0.00 0.00 52.86 50.67 1b8t s ASN 3 Cb -0.08 0.45 -0.05 0.00 1.28 0.00 0.00 41.25 42.85 1b8t s ASN 3 CO 0.54 -0.91 -0.17 -1.66 -2.04 0.00 0.00 177.10 172.86 1b8t s TRP 4 N -3.97 2.06 0.00 1.54 -2.14 -1.26 -5.14 118.94 110.04 1b8t s TRP 4 Ca 0.17 -0.43 0.00 0.00 2.66 0.00 0.00 56.10 58.50 1b8t s TRP 4 Cb 0.03 -0.92 0.00 0.00 -3.10 0.00 0.00 33.47 29.48 1b8t s TRP 4 CO 0.00 0.57 0.00 0.41 -2.66 0.00 0.00 176.95 175.28 1b8t n GLY 5 N -0.53 5.10 0.00 3.67 0.00 -1.26 -5.19 105.19 106.97 1b8t n GLY 5 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 4.40 0.00 -0.02 0.00 -1.26 -5.19 105.19 103.11 1b8t n GLY 6 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.95 4.02 -0.02 0.00 -1.26 -4.91 105.19 104.97 1b8t n GLY 7 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 0.10 2.12 -0.17 1.61 1.02 0.75 -4.89 119.74 120.27 1b8t s LYS 8 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1b8t s LYS 8 Cb 0.00 -2.55 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1b8t s LYS 8 CO 0.00 -1.03 -0.10 -1.59 -0.92 0.00 0.00 175.35 171.71 1b8t s LYS 9 N -4.81 1.96 -0.56 1.68 0.00 -1.26 -0.39 119.74 116.36 1b8t s LYS 9 Ca 0.63 -0.66 -0.28 0.00 0.00 0.00 0.00 55.97 55.65 1b8t s LYS 9 Cb -0.06 -2.20 0.02 0.00 0.00 0.00 0.00 37.83 35.60 1b8t s LYS 9 CO 0.40 -0.37 1.27 0.00 0.00 0.00 0.00 175.35 176.66 1b8t n GLY 11 N 5.11 -0.98 0.02 0.00 0.00 -1.25 -0.14 105.19 107.95 1b8t n GLY 11 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.74 0.46 0.13 1.61 0.31 -1.26 -4.56 118.33 114.28 1b8t n VAL 12 Ca 0.11 0.40 0.04 0.00 -0.01 0.00 0.00 64.34 64.88 1b8t n VAL 12 Cb 0.05 -1.78 0.03 0.00 -0.91 0.00 0.00 33.84 31.23 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 -3.14 0.00 -4.01 0.00 7.27 0.80 -5.07 117.38 113.23 1b8t n GLN 14 Ca 0.01 0.04 -0.27 0.00 0.07 0.00 0.00 57.00 56.84 1b8t n GLN 14 Cb 0.72 -2.69 -0.01 0.00 2.41 0.00 0.00 30.24 30.66 1b8t n GLN 14 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1b8t s LYS 15 N -3.07 2.24 -0.05 3.69 1.02 -1.07 -4.90 119.74 117.60 1b8t s LYS 15 Ca 0.00 -2.09 -0.11 0.00 0.02 0.00 0.00 55.97 53.79 1b8t s LYS 15 Cb 0.00 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 1b8t s LYS 15 CO 0.00 -0.61 0.30 0.00 -0.92 0.00 0.00 175.35 174.12 1b8t s ALA 16 N -2.80 3.77 0.24 5.17 0.00 -1.26 0.08 121.76 126.96 1b8t s ALA 16 Ca 0.29 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.95 1b8t s ALA 16 Cb -0.02 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1b8t s ALA 16 CO 0.18 0.54 0.01 0.08 0.00 0.00 0.00 175.76 176.57 1b8t s VAL 17 N -1.06 3.58 0.11 0.00 1.01 0.47 -4.84 120.40 119.67 1b8t s VAL 17 Ca 0.20 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1b8t s VAL 17 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1b8t s VAL 17 CO 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 175.10 174.91 1b8t n TYR 18 N -0.66 -0.50 0.00 5.22 9.36 -1.26 -0.18 117.16 129.14 1b8t n TYR 18 Ca -0.08 0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1b8t n TYR 18 Cb 0.58 0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 1b8t n TYR 18 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1b8t n PHE 19 N -3.20 0.00 -0.32 2.98 -0.00 -1.26 -4.67 117.46 110.99 1b8t n PHE 19 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 57.45 57.76 1b8t n PHE 19 Cb 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 39.48 40.06 1b8t n PHE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1b8t h ALA 20 N 0.00 2.15 -0.86 3.13 0.00 -2.03 -0.62 119.26 121.04 1b8t h ALA 20 Ca 0.00 0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1b8t h ALA 20 Cb 0.00 0.32 -0.40 0.00 0.00 0.00 0.00 17.79 17.71 1b8t h ALA 20 CO 0.00 -0.93 -1.15 -0.85 0.00 0.00 0.00 179.25 176.32 1b8t n GLU 21 N -5.25 1.47 -3.33 0.00 0.28 -1.26 -4.98 120.64 107.57 1b8t n GLU 21 Ca 0.38 -3.40 -0.40 0.00 -0.16 0.00 0.00 57.16 53.57 1b8t n GLU 21 Cb 1.27 -1.41 -0.09 0.00 1.43 0.00 0.00 31.44 32.64 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 -3.34 3.73 -0.19 3.44 -6.30 -0.24 0.08 118.70 115.88 1b8t s GLU 22 Ca 0.28 -0.15 0.01 0.00 -2.50 0.00 0.00 54.97 52.61 1b8t s GLU 22 Cb 0.42 -3.76 0.03 0.00 0.00 0.00 0.00 34.13 30.82 1b8t s GLU 22 CO 0.01 -0.50 -0.18 0.08 0.02 0.00 0.00 175.26 174.69 1b8t s VAL 23 N 2.19 1.99 -0.01 3.70 1.01 0.15 -4.85 120.40 124.58 1b8t s VAL 23 Ca 0.16 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1b8t s VAL 23 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1b8t s VAL 23 CO 0.12 0.45 -0.01 -1.58 0.00 0.00 0.00 175.10 174.07 1b8t s GLN 24 N 1.30 2.78 -0.09 2.72 -0.44 -1.26 0.22 119.66 124.88 1b8t s GLN 24 Ca 0.03 -0.60 -0.06 0.00 -2.50 0.00 0.00 55.36 52.23 1b8t s GLN 24 Cb -0.14 -2.66 0.03 0.00 -1.64 0.00 0.00 33.01 28.61 1b8t s GLN 24 CO -0.12 0.63 0.23 0.00 0.50 0.00 0.00 175.29 176.53 1b8t n GLU 26 N 3.67 0.00 0.00 0.00 2.13 -1.26 -0.03 120.64 125.14 1b8t n GLU 26 Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1b8t n GLU 26 Cb 0.55 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1b8t n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b8t n GLY 27 N 6.60 3.20 3.57 8.31 0.00 -1.26 -4.92 105.19 120.69 1b8t n GLY 27 Ca 0.57 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1b8t n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b8t s SER 28 N 0.00 0.03 -0.02 1.61 0.15 0.95 -5.17 113.70 111.25 1b8t s SER 28 Ca 0.00 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 55.64 1b8t s SER 28 Cb 0.00 0.59 0.02 0.00 -1.71 0.00 0.00 66.02 64.92 1b8t s SER 28 CO 0.00 -1.16 -0.01 -0.94 1.20 0.00 0.00 173.24 172.33 1b8t s SER 29 N -3.05 0.42 0.33 5.45 1.04 -1.26 -0.45 113.70 116.18 1b8t s SER 29 Ca 0.24 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.66 1b8t s SER 29 Cb -0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1b8t s SER 29 CO 0.10 -0.05 0.11 -0.36 0.98 0.00 0.00 173.24 174.02 1b8t s PHE 30 N 0.65 1.74 0.92 5.02 0.08 0.13 -3.79 117.98 122.73 1b8t s PHE 30 Ca -0.07 -1.19 -0.11 0.00 0.12 0.00 0.00 56.93 55.69 1b8t s PHE 30 Cb -0.10 -1.07 0.14 0.00 -0.57 0.00 0.00 43.02 41.43 1b8t s PHE 30 CO -0.01 -0.27 1.11 -1.01 -0.10 0.00 0.00 175.22 174.94 1b8t s HIS 31 N -3.45 1.92 0.24 0.36 3.76 -1.26 -0.68 115.29 116.18 1b8t s HIS 31 Ca 0.33 1.56 -0.06 0.00 -0.15 0.00 0.00 55.06 56.74 1b8t s HIS 31 Cb 0.06 -3.21 0.29 0.00 1.11 0.00 0.00 32.58 30.84 1b8t s HIS 31 CO 0.15 -2.67 1.88 -0.22 -0.85 0.00 0.00 174.74 173.03 1b8t h LYS 32 N -1.76 1.06 -0.12 1.40 3.64 -0.69 0.32 116.57 120.42 1b8t h LYS 32 Ca -0.47 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1b8t h LYS 32 Cb 1.27 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1b8t h LYS 32 CO 0.47 0.70 0.00 0.45 -2.27 0.00 0.00 179.45 178.80 1b8t n SER 33 N -4.54 0.75 -1.17 4.20 2.88 -1.26 -3.15 113.62 111.32 1b8t n SER 33 Ca 0.12 -1.82 -0.04 0.00 -1.33 0.00 0.00 58.87 55.79 1b8t n SER 33 Cb 0.11 -0.08 0.20 0.00 -0.75 0.00 0.00 64.21 63.70 1b8t n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t n PHE 35 N -1.09 0.37 -3.80 0.00 -0.00 -1.19 -4.58 117.46 107.17 1b8t n PHE 35 Ca 0.33 -3.62 -0.13 0.00 -0.00 0.00 0.00 57.45 54.03 1b8t n PHE 35 Cb 1.04 -0.03 -0.14 0.00 -0.00 0.00 0.00 39.48 40.35 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 -0.49 1.28 -0.35 -2.13 0.20 -1.26 -1.50 118.68 114.43 1b8t s LEU 36 Ca 0.31 0.15 -0.39 0.00 0.69 0.00 0.00 54.13 54.89 1b8t s LEU 36 Cb 0.03 0.17 -0.15 0.00 -0.43 0.00 0.00 46.19 45.81 1b8t s LEU 36 CO -0.18 -0.09 1.98 0.00 -0.29 0.00 0.00 176.35 177.77 1b8t n MET 38 N 6.83 0.96 -0.00 0.00 2.81 0.32 -0.26 117.12 127.78 1b8t n MET 38 Ca 0.37 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.26 1b8t n MET 38 Cb 0.14 -1.08 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 -0.41 0.11 0.14 2.03 0.31 -1.26 -4.72 118.33 114.53 1b8t n VAL 39 Ca 0.00 0.29 0.03 0.00 -0.01 0.00 0.00 64.34 64.65 1b8t n VAL 39 Cb 0.04 -1.35 0.08 0.00 -0.91 0.00 0.00 33.84 31.70 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 -3.29 0.00 -3.65 0.00 4.81 0.65 -5.04 118.16 111.63 1b8t n LYS 41 Ca 0.01 0.22 -0.36 0.00 -0.87 0.00 0.00 58.31 57.32 1b8t n LYS 41 Cb 0.70 -2.77 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 1b8t n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1b8t s LYS 42 N -2.14 4.18 0.48 1.64 1.02 -1.19 -4.80 119.74 118.94 1b8t s LYS 42 Ca 0.00 -0.13 -0.24 0.00 0.02 0.00 0.00 55.97 55.61 1b8t s LYS 42 Cb 0.00 -3.45 -0.07 0.00 -0.52 0.00 0.00 37.83 33.78 1b8t s LYS 42 CO 0.00 0.22 1.42 -1.71 -0.92 0.00 0.00 175.35 174.36 1b8t n ASN 43 N 3.75 3.20 -4.25 2.83 5.15 -1.26 0.35 115.26 125.03 1b8t n ASN 43 Ca -0.14 1.08 -0.25 0.00 -0.60 0.00 0.00 54.58 54.67 1b8t n ASN 43 Cb 0.52 -1.60 -0.14 0.00 -0.53 0.00 0.00 39.78 38.03 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 -2.94 2.19 -0.03 1.20 1.43 -0.57 -4.76 118.68 115.21 1b8t s LEU 44 Ca 0.64 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1b8t s LEU 44 Cb -0.44 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1b8t s LEU 44 CO 0.55 0.13 -0.09 -0.67 0.23 0.00 0.00 176.35 176.51 1b8t n ASP 45 N 1.72 0.64 0.00 2.29 -0.08 -1.26 -4.65 116.55 115.21 1b8t n ASP 45 Ca -0.18 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1b8t n ASP 45 Cb 0.53 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.57 1b8t n ASP 45 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1b8t n SER 46 N -3.13 0.00 0.17 1.67 7.64 -1.26 -5.04 113.62 113.67 1b8t n SER 46 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1b8t n SER 46 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1b8t n SER 46 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1b8t n THR 47 N 0.00 0.00 -0.37 0.44 -1.04 -1.26 -4.96 114.28 107.10 1b8t n THR 47 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1b8t n THR 47 Cb 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1b8t n THR 47 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1b8t n THR 48 N -3.22 0.27 -1.76 12.58 -2.24 -1.26 -5.07 114.28 113.59 1b8t n THR 48 Ca 0.00 -0.45 -0.40 0.00 -2.27 0.00 0.00 64.05 60.93 1b8t n THR 48 Cb 0.00 1.07 0.02 0.00 -2.10 0.00 0.00 70.33 69.32 1b8t n THR 48 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1b8t n VAL 49 N -0.14 3.01 -4.40 2.28 3.14 -1.26 0.19 118.33 121.15 1b8t n VAL 49 Ca 0.00 -0.50 -0.20 0.00 -2.96 0.00 0.00 64.34 60.68 1b8t n VAL 49 Cb 0.20 -1.81 -0.10 0.00 -1.06 0.00 0.00 33.84 31.07 1b8t n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b8t s ALA 50 N -1.21 2.18 -0.02 1.55 0.00 0.37 -4.77 121.76 119.86 1b8t s ALA 50 Ca 0.63 -1.89 0.07 0.00 0.00 0.00 0.00 51.96 50.77 1b8t s ALA 50 Cb -0.44 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1b8t s ALA 50 CO 0.56 -0.18 -0.24 0.08 0.00 0.00 0.00 175.76 175.99 1b8t s VAL 51 N -3.20 2.26 -0.16 0.00 1.01 -1.26 -1.30 120.40 117.76 1b8t s VAL 51 Ca 0.30 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1b8t s VAL 51 Cb 0.05 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1b8t s VAL 51 CO 0.12 0.57 0.38 -2.28 0.00 0.00 0.00 175.10 173.88 1b8t s HIS 52 N -0.65 -0.54 0.00 5.22 5.04 -0.37 -4.96 115.29 119.03 1b8t s HIS 52 Ca 0.10 1.18 0.00 0.00 -1.54 0.00 0.00 55.06 54.81 1b8t s HIS 52 Cb -0.10 0.22 0.00 0.00 0.04 0.00 0.00 32.58 32.74 1b8t s HIS 52 CO -0.00 -0.31 0.00 0.41 -2.34 0.00 0.00 174.74 172.49 1b8t n GLY 53 N 4.16 0.52 2.60 1.59 0.00 -1.26 -0.26 105.19 112.54 1b8t n GLY 53 Ca -0.23 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 4.75 1.92 -3.50 1.61 2.03 -1.26 -5.08 116.55 117.02 1b8t n ASP 54 Ca 0.00 -2.90 -0.09 0.00 0.52 0.00 0.00 54.79 52.32 1b8t n ASP 54 Cb 0.00 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 1b8t n ASP 54 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1b8t s GLU 55 N -3.13 0.99 -0.05 -0.67 2.02 0.64 -5.04 118.70 113.46 1b8t s GLU 55 Ca 0.32 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.92 1b8t s GLU 55 Cb 0.44 0.44 -0.03 0.00 0.10 0.00 0.00 34.13 35.08 1b8t s GLU 55 CO -0.01 -0.43 -0.02 0.96 0.02 0.00 0.00 175.26 175.78 1b8t s ILE 56 N -3.32 4.10 -0.09 -1.63 -4.36 -1.26 -1.23 121.20 113.40 1b8t s ILE 56 Ca 0.04 -0.44 -0.04 0.00 -0.26 0.00 0.00 60.65 59.96 1b8t s ILE 56 Cb -0.01 -2.75 0.05 0.00 1.25 0.00 0.00 42.46 41.00 1b8t s ILE 56 CO -0.09 0.52 0.20 -0.31 0.24 0.00 0.00 174.94 175.50 1b8t s TYR 57 N -0.94 -0.27 0.64 1.37 2.02 -0.42 -0.52 117.35 119.23 1b8t s TYR 57 Ca 0.15 0.70 -0.17 0.00 -0.37 0.00 0.00 57.07 57.38 1b8t s TYR 57 Cb -0.11 -0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.35 1b8t s TYR 57 CO 0.05 -0.24 0.97 0.00 -1.57 0.00 0.00 175.55 174.75 1b8t n LYS 59 N -1.31 0.00 -0.07 0.00 3.00 0.13 -0.26 118.16 119.65 1b8t n LYS 59 Ca 0.14 0.85 -0.02 0.00 -0.00 0.00 0.00 58.31 59.28 1b8t n LYS 59 Cb 0.48 -1.30 -0.02 0.00 0.00 0.00 0.00 35.03 34.20 1b8t n LYS 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1b8t n SER 60 N -2.68 -0.17 -0.36 3.14 2.88 -1.26 0.16 113.62 115.34 1b8t n SER 60 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1b8t n SER 60 Cb 0.00 -0.31 0.06 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 -0.02 -1.04 0.00 0.00 3.20 0.48 0.53 116.97 120.12 1b8t h TYR 62 Ca 0.36 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1b8t h TYR 62 Cb 0.62 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1b8t h TYR 62 CO -0.82 -0.43 0.00 0.78 -1.64 0.00 0.00 178.16 176.05 1b8t h GLY 63 N -0.39 0.00 0.18 1.82 0.00 0.29 0.20 103.07 105.17 1b8t h GLY 63 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1b8t h GLY 63 CO -0.44 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 176.56 1b8t h LYS 64 N 0.00 -0.10 0.08 4.80 1.57 0.44 0.39 116.57 123.75 1b8t h LYS 64 Ca 0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b8t h LYS 64 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1b8t h LYS 64 CO 0.00 0.40 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.02 1b8t h LYS 65 N -0.93 -0.10 -0.24 3.15 3.64 -0.60 -3.25 116.57 118.23 1b8t h LYS 65 Ca -0.01 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1b8t h LYS 65 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1b8t h LYS 65 CO 0.02 0.28 0.05 1.88 -2.27 0.00 0.00 179.45 179.41 1b8t h TYR 66 N -0.51 0.41 0.00 1.91 -1.99 -0.76 -3.42 116.97 112.61 1b8t h TYR 66 Ca -0.01 -0.05 -0.42 0.00 2.00 0.00 0.00 58.73 60.25 1b8t h TYR 66 Cb 0.43 -0.12 -0.08 0.00 2.00 0.00 0.00 36.73 38.96 1b8t h TYR 66 CO 0.06 0.49 1.59 0.41 -0.00 0.00 0.00 178.16 180.71 1b8t n GLY 67 N -0.52 -0.43 3.76 3.88 0.00 0.14 -4.85 105.19 107.16 1b8t n GLY 67 Ca -0.03 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.54 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 7.63 -0.63 0.31 1.61 0.04 -1.26 -4.90 135.00 137.79 1b8t s PRO 68 Ca 1.19 -0.37 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 1b8t s PRO 68 Cb -1.05 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1b8t s PRO 68 CO 0.44 -3.26 0.62 -1.59 0.04 0.00 0.00 177.00 173.25 1b8t s LYS 69 N -5.75 1.85 -0.02 4.56 -2.85 -1.26 -5.18 119.74 111.09 1b8t s LYS 69 Ca 0.75 -1.32 -0.20 0.00 -1.00 0.00 0.00 55.97 54.19 1b8t s LYS 69 Cb -0.05 0.54 0.07 0.00 -2.06 0.00 0.00 37.83 36.33 1b8t s LYS 69 CO 0.55 -0.82 0.91 0.41 0.10 0.00 0.00 175.35 176.50 1b8t n GLY 70 N -0.47 0.31 3.85 0.59 0.00 -1.26 -5.19 105.19 103.02 1b8t n GLY 70 Ca -0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 1b8t n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8t s LYS 71 N -2.01 0.93 0.25 1.61 0.00 -1.26 -5.19 119.74 114.07 1b8t s LYS 71 Ca 0.21 -0.58 -0.20 0.00 0.00 0.00 0.00 55.97 55.40 1b8t s LYS 71 Cb -0.00 0.27 0.07 0.00 0.00 0.00 0.00 37.83 38.17 1b8t s LYS 71 CO -0.01 -0.44 0.97 0.20 0.00 0.00 0.00 175.35 176.07 1b8t s GLY 72 N -3.37 0.21 -0.03 0.59 0.00 -1.26 -5.19 107.32 98.26 1b8t s GLY 72 Ca 0.21 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 1b8t s GLY 72 CO 0.02 1.71 1.31 1.25 0.00 0.00 0.00 173.10 177.40 1b8t s LYS 73 N -2.16 0.30 -0.05 2.90 2.20 -1.26 -5.19 119.74 116.48 1b8t s LYS 73 Ca 0.20 -0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.31 1b8t s LYS 73 Cb -0.03 0.09 0.12 0.00 -1.51 0.00 0.00 37.83 36.50 1b8t s LYS 73 CO 0.07 -0.14 1.34 0.20 -0.36 0.00 0.00 175.35 176.46 1b8t s GLY 74 N -3.58 -0.38 -0.09 5.54 0.00 -1.26 -5.19 107.32 102.36 1b8t s GLY 74 Ca 0.25 0.64 -0.33 0.00 0.00 0.00 0.00 44.72 45.28 1b8t s GLY 74 CO -0.02 1.49 1.43 -0.29 0.00 0.00 0.00 173.10 175.70 1b8t s MET 75 N -2.20 0.05 0.00 2.90 1.75 -1.26 -5.19 119.30 115.35 1b8t s MET 75 Ca 0.18 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.59 1b8t s MET 75 Cb 0.05 0.02 0.00 0.00 2.84 0.00 0.00 34.83 37.73 1b8t s MET 75 CO -0.04 -0.02 0.00 0.41 -0.65 0.00 0.00 175.02 174.72 1b8t n GLY 76 N -0.53 0.04 3.85 2.11 0.00 -1.26 -5.19 105.19 104.20 1b8t n GLY 76 Ca -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 -2.44 -0.04 4.61 0.00 -1.26 -5.19 121.76 115.44 1b8t s ALA 77 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.97 1b8t s ALA 77 Cb 0.00 0.68 0.12 0.00 0.00 0.00 0.00 23.12 23.93 1b8t s ALA 77 CO 0.00 -1.12 1.33 0.20 0.00 0.00 0.00 175.76 176.18 1b8t s GLY 78 N -3.51 -0.37 -0.13 0.00 0.00 -1.26 -5.19 107.32 96.86 1b8t s GLY 78 Ca 0.24 0.61 -0.33 0.00 0.00 0.00 0.00 44.72 45.24 1b8t s GLY 78 CO -0.02 1.60 1.10 -1.08 0.00 0.00 0.00 173.10 174.70 1b8t s THR 79 N -2.21 0.00 0.31 0.90 -1.32 -1.26 -5.19 115.64 106.88 1b8t s THR 79 Ca 0.18 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.64 1b8t s THR 79 Cb 0.04 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1b8t s THR 79 CO -0.04 0.00 0.42 -0.76 -2.21 0.00 0.00 174.62 172.03 1b8t s LEU 80 N -2.24 1.03 0.00 9.08 1.43 -1.26 -5.18 118.68 121.54 1b8t s LEU 80 Ca 0.08 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1b8t s LEU 80 Cb -0.01 1.29 0.00 0.00 0.03 0.00 0.00 46.19 47.50 1b8t s LEU 80 CO -0.06 -1.20 0.00 -0.24 0.23 0.00 0.00 176.35 175.08 1b8t n SER 81 N -1.18 0.00 -3.62 2.29 2.88 -1.26 -5.19 113.62 107.54 1b8t n SER 81 Ca 0.01 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.35 1b8t n SER 81 Cb 0.62 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.00 1b8t n SER 81 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1b8t s THR 82 N -2.00 0.16 0.00 2.46 -4.23 -1.26 -5.17 115.64 105.60 1b8t s THR 82 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1b8t s THR 82 Cb 0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1b8t s THR 82 CO 0.00 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.18 1b8t n ASP 83 N -1.40 0.00 -3.46 3.99 5.75 -1.26 -5.19 116.55 114.98 1b8t n ASP 83 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.78 1b8t n ASP 83 Cb 0.63 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.73 1b8t n ASP 83 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1b8t s LYS 84 N -2.00 1.24 0.00 0.11 2.20 -1.26 -5.19 119.74 114.84 1b8t s LYS 84 Ca 0.00 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1b8t s LYS 84 Cb 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1b8t s LYS 84 CO 0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 1b8t n GLY 85 N -0.65 1.64 3.62 5.54 0.00 -1.26 -5.19 105.19 108.89 1b8t n GLY 85 Ca -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.06 1b8t n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b8t s GLU 86 N -1.87 0.17 -0.25 1.61 -1.05 -1.26 -5.19 118.70 110.85 1b8t s GLU 86 Ca 0.00 -0.10 -0.38 0.00 -0.15 0.00 0.00 54.97 54.35 1b8t s GLU 86 Cb 0.00 0.06 0.16 0.00 -0.44 0.00 0.00 34.13 33.90 1b8t s GLU 86 CO 0.00 -0.08 1.41 -1.54 0.95 0.00 0.00 175.26 176.00 1b8t s SER 87 N -3.09 -0.00 -0.17 0.83 1.04 -1.26 -5.19 113.70 105.86 1b8t s SER 87 Ca 0.16 -0.00 -0.33 0.00 0.48 0.00 0.00 55.95 56.26 1b8t s SER 87 Cb 0.06 0.01 0.14 0.00 0.10 0.00 0.00 66.02 66.32 1b8t s SER 87 CO -0.05 -0.01 1.15 -0.22 0.98 0.00 0.00 173.24 175.09 1b8t s LEU 88 N -2.23 -0.18 0.00 2.42 0.20 -1.26 -5.18 118.68 112.45 1b8t s LEU 88 Ca 0.13 0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.98 1b8t s LEU 88 Cb 0.01 1.50 0.00 0.00 -0.43 0.00 0.00 46.19 47.27 1b8t s LEU 88 CO -0.03 -0.29 0.00 0.61 -0.29 0.00 0.00 176.35 176.35 1b8t n GLY 89 N 0.01 3.99 3.60 7.98 0.00 -1.26 -5.19 105.19 114.32 1b8t n GLY 89 Ca -0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1b8t n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1b8t s ILE 90 N -0.66 0.00 -0.01 -0.61 2.07 -1.26 -5.19 121.20 115.54 1b8t s ILE 90 Ca 0.00 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 1b8t s ILE 90 Cb 0.00 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.70 1b8t s ILE 90 CO 0.00 0.00 1.20 -1.59 -1.91 0.00 0.00 174.94 172.64 1b8t s LYS 91 N -1.40 0.55 0.02 3.50 -2.85 -1.26 -5.19 119.74 113.10 1b8t s LYS 91 Ca 0.05 -0.29 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 1b8t s LYS 91 Cb -0.01 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 36.07 1b8t s LYS 91 CO -0.04 -0.25 1.23 1.52 0.10 0.00 0.00 175.35 177.92 1b8t s TYR 92 N -2.61 -0.03 0.00 1.78 -0.85 -1.26 -5.19 117.35 109.19 1b8t s TYR 92 Ca 0.13 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 1b8t s TYR 92 Cb 0.03 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.94 1b8t s TYR 92 CO -0.03 -0.39 0.00 -1.91 -1.52 0.00 0.00 175.55 171.70 1b8t n GLU 93 N -0.59 0.00 -3.62 -3.49 2.13 -1.26 -5.19 120.64 108.62 1b8t n GLU 93 Ca -0.05 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.80 1b8t n GLU 93 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 1b8t n GLU 93 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1b8t s GLU 94 N -2.00 0.05 0.00 5.31 0.41 -1.26 -5.19 118.70 116.02 1b8t s GLU 94 Ca 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1b8t s GLU 94 Cb 0.00 0.02 0.00 0.00 -1.78 0.00 0.00 34.13 32.37 1b8t s GLU 94 CO 0.00 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.16 1b8t n GLY 95 N -0.56 1.30 0.00 -1.39 0.00 -1.26 -5.19 105.19 98.09 1b8t n GLY 95 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1b8t n GLY 95 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b8t n GLN 96 N -0.43 0.00 0.00 1.61 1.13 -1.26 -5.19 117.38 113.24 1b8t n GLN 96 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1b8t n GLN 96 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1b8t n GLN 96 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1b8t n SER 97 N 0.00 0.00 -3.59 1.08 2.88 -1.26 -5.19 113.62 107.54 1b8t n SER 97 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1b8t n SER 97 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1b8t n SER 97 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1b8t s HIS 98 N -2.00 -0.02 0.00 0.66 -3.43 -1.26 -5.13 115.29 104.10 1b8t s HIS 98 Ca 0.00 -0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 1b8t s HIS 98 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1b8t s HIS 98 CO 0.00 -0.08 0.00 0.54 -2.00 0.00 0.00 174.74 173.20 1b8t n ARG 99 N -0.33 0.00 -1.53 -0.38 1.74 -1.26 -5.17 116.66 109.72 1b8t n ARG 99 Ca -0.05 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 1b8t n ARG 99 Cb 0.61 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.20 1b8t n ARG 99 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1b8t s PRO 100 N 0.00 0.81 0.35 5.56 0.04 -1.26 -5.10 135.00 135.40 1b8t s PRO 100 Ca 0.00 0.16 0.06 0.00 0.04 0.00 0.00 61.00 61.26 1b8t s PRO 100 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1b8t s PRO 100 CO 0.00 -2.40 0.23 0.95 0.04 0.00 0.00 177.00 175.83 1b8t s THR 101 N -3.32 0.15 0.00 1.26 -4.23 -1.26 -5.15 115.64 103.09 1b8t s THR 101 Ca 0.66 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1b8t s THR 101 Cb -0.13 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1b8t s THR 101 CO 0.54 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 175.21 1b8t n ASN 102 N -1.44 0.00 -3.79 3.99 4.13 -1.26 -5.18 115.26 111.71 1b8t n ASN 102 Ca 0.04 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.00 1b8t n ASN 102 Cb 0.63 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 39.10 1b8t n ASN 102 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1b8t s PRO 103 N 0.00 -0.60 -0.06 3.52 0.04 -1.26 -5.10 135.00 131.54 1b8t s PRO 103 Ca 0.00 -0.37 -0.31 0.00 0.04 0.00 0.00 61.00 60.37 1b8t s PRO 103 Cb 0.00 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 32.96 1b8t s PRO 103 CO 0.00 -3.25 1.02 1.21 0.04 0.00 0.00 177.00 176.03 1b8t s ASN 104 N -4.49 -0.26 -0.05 6.66 2.47 -1.26 -5.19 114.94 112.82 1b8t s ASN 104 Ca 0.74 -0.03 -0.31 0.00 0.42 0.00 0.00 52.86 53.68 1b8t s ASN 104 Cb -0.05 0.29 0.13 0.00 -1.45 0.00 0.00 41.25 40.18 1b8t s ASN 104 CO 0.55 -0.48 1.34 0.00 -3.72 0.00 0.00 177.10 174.78 1b8t s ALA 105 N -2.85 -2.32 0.00 1.71 0.00 -1.26 -5.19 121.76 111.85 1b8t s ALA 105 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1b8t s ALA 105 Cb -0.01 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1b8t s ALA 105 CO -0.07 -1.04 0.00 0.45 0.00 0.00 0.00 175.76 175.11 1b8t n SER 106 N -0.47 0.00 0.00 0.00 2.88 -1.26 -5.19 113.62 109.57 1b8t n SER 106 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1b8t n SER 106 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1b8t n SER 106 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1b8t n ARG 107 N -0.10 0.00 -3.64 -1.46 0.63 -1.26 -5.19 116.66 105.65 1b8t n ARG 107 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1b8t n ARG 107 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1b8t n ARG 107 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1b8t s MET 108 N -2.00 0.09 0.07 -0.14 1.75 -1.26 -5.19 119.30 112.62 1b8t s MET 108 Ca 0.00 -0.02 -0.27 0.00 -1.25 0.00 0.00 55.69 54.15 1b8t s MET 108 Cb 0.00 0.04 0.09 0.00 2.84 0.00 0.00 34.83 37.80 1b8t s MET 108 CO 0.00 -0.04 1.13 0.00 -0.65 0.00 0.00 175.02 175.47 1b8t s ALA 109 N -1.77 -1.95 0.00 4.11 0.00 -1.26 -5.19 121.76 115.70 1b8t s ALA 109 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1b8t s ALA 109 Cb -0.01 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1b8t s ALA 109 CO -0.04 -1.06 0.00 1.04 0.00 0.00 0.00 175.76 175.70 1b8t n GLN 110 N -0.51 -0.31 -3.82 0.00 6.02 -1.26 -5.19 117.38 112.30 1b8t n GLN 110 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.84 1b8t n GLN 110 Cb 0.62 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.89 1b8t n GLN 110 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1b8t s LYS 111 N -2.00 2.08 0.31 -1.09 2.20 -1.26 -5.19 119.74 114.79 1b8t s LYS 111 Ca 0.00 -1.30 0.04 0.00 -0.36 0.00 0.00 55.97 54.35 1b8t s LYS 111 Cb 0.00 0.61 -0.03 0.00 -1.51 0.00 0.00 37.83 36.89 1b8t s LYS 111 CO 0.00 -0.97 0.20 0.14 -0.36 0.00 0.00 175.35 174.36 1b8t s VAL 112 N -2.67 0.16 0.00 4.02 -7.23 -1.26 -5.17 120.40 108.25 1b8t s VAL 112 Ca 0.15 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1b8t s VAL 112 Cb -0.05 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1b8t s VAL 112 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1b8t n GLY 113 N -0.58 0.20 0.00 2.32 0.00 -1.26 -5.19 105.19 100.68 1b8t n GLY 113 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.71 4.34 3.62 -0.02 0.00 -1.26 -5.19 105.19 105.97 1b8t n GLY 114 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.22 1b8t n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b8t s SER 115 N 0.00 -0.07 0.00 1.61 1.04 -1.26 -4.90 113.70 110.12 1b8t s SER 115 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1b8t s SER 115 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1b8t s SER 115 CO 0.00 -0.30 0.00 0.47 0.98 0.00 0.00 173.24 174.39 1b8t n ASP 116 N -0.45 0.00 -4.02 7.02 8.00 -0.56 -5.05 116.55 121.48 1b8t n ASP 116 Ca -0.08 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1b8t n ASP 116 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.63 -0.44 0.44 0.00 -1.26 -0.25 107.32 107.45 1b8t s GLY 117 Ca 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 44.72 42.80 1b8t s GLY 117 CO 0.00 -1.42 0.33 0.00 0.00 0.00 0.00 173.10 172.01 1b8t n PRO 119 N 5.11 0.70 -0.01 0.00 -0.04 -1.26 0.42 135.00 139.92 1b8t n PRO 119 Ca -0.12 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 1b8t n PRO 119 Cb 0.44 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1b8t n PRO 119 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b8t n ARG 120 N -1.04 0.06 0.10 0.54 5.12 -1.26 -4.61 116.66 115.57 1b8t n ARG 120 Ca 0.17 0.26 -0.14 0.00 -1.93 0.00 0.00 57.85 56.21 1b8t n ARG 120 Cb 0.10 -0.85 -0.13 0.00 -1.16 0.00 0.00 32.46 30.42 1b8t n ARG 120 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b8t n GLY 122 N 1.44 1.21 3.47 0.00 0.00 0.17 -5.08 105.19 106.41 1b8t n GLY 122 Ca -0.07 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1b8t n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8t s GLN 123 N -0.36 3.26 0.89 1.61 -0.21 -1.12 -4.81 119.66 118.91 1b8t s GLN 123 Ca 0.00 -0.60 -0.17 0.00 0.02 0.00 0.00 55.36 54.61 1b8t s GLN 123 Cb 0.00 -2.70 -0.14 0.00 1.00 0.00 0.00 33.01 31.17 1b8t s GLN 123 CO 0.00 0.37 -0.61 0.00 -2.12 0.00 0.00 175.29 172.93 1b8t n ALA 124 N 3.11 -4.86 -3.78 6.09 0.00 -1.26 -0.05 120.51 119.75 1b8t n ALA 124 Ca -0.18 -0.55 -0.24 0.00 0.00 0.00 0.00 53.44 52.48 1b8t n ALA 124 Cb 0.53 -1.23 -0.17 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.01 0.62 -0.24 0.00 1.01 0.65 -4.36 120.40 116.07 1b8t s VAL 125 Ca 0.44 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 1b8t s VAL 125 Cb -0.25 -0.71 0.13 0.00 0.00 0.00 0.00 36.38 35.55 1b8t s VAL 125 CO 0.79 0.29 1.03 -0.47 0.00 0.00 0.00 175.10 176.74 1b8t s TYR 126 N 1.72 -0.43 0.00 5.22 5.04 -1.26 -1.50 117.35 126.13 1b8t s TYR 126 Ca 0.02 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1b8t s TYR 126 Cb -0.13 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.58 1b8t s TYR 126 CO -0.05 -0.26 0.00 0.00 -1.34 0.00 0.00 175.55 173.90 1b8t n ALA 127 N 1.74 0.00 -1.45 3.97 0.00 -1.26 -4.72 120.51 118.79 1b8t n ALA 127 Ca -0.12 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.80 1b8t n ALA 127 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 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 4.27 -3.08 -1.66 0.00 0.00 -1.26 -3.28 120.51 115.50 1b8t n ALA 128 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 1b8t n ALA 128 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.24 -0.19 -4.08 0.00 2.13 -1.26 -5.06 120.64 113.43 1b8t n GLU 129 Ca 0.19 0.23 -0.17 0.00 0.66 0.00 0.00 57.16 58.07 1b8t n GLU 129 Cb 0.18 -1.91 -0.15 0.00 0.27 0.00 0.00 31.44 29.82 1b8t n GLU 129 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1b8t s LYS 130 N -3.09 0.47 0.02 5.31 2.20 -1.20 -4.24 119.74 119.20 1b8t s LYS 130 Ca 0.03 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 1b8t s LYS 130 Cb -0.00 -0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 35.77 1b8t s LYS 130 CO 0.07 -0.02 -0.09 0.54 -0.36 0.00 0.00 175.35 175.49 1b8t s VAL 131 N 0.52 0.69 -0.17 4.02 0.11 0.99 -4.51 120.40 122.05 1b8t s VAL 131 Ca -0.06 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1b8t s VAL 131 Cb -0.09 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1b8t s VAL 131 CO -0.01 -0.07 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.95 1b8t s ILE 132 N -0.75 1.59 -0.07 7.04 1.09 -1.26 -1.25 121.20 127.59 1b8t s ILE 132 Ca -0.02 -0.82 -0.20 0.00 -1.10 0.00 0.00 60.65 58.51 1b8t s ILE 132 Cb -0.06 -1.59 0.04 0.00 -1.06 0.00 0.00 42.46 39.79 1b8t s ILE 132 CO 0.00 0.31 0.46 -0.83 -0.10 0.00 0.00 174.94 174.78 1b8t s GLY 133 N 1.45 -0.33 -1.22 6.18 0.00 0.54 -4.92 107.32 109.02 1b8t s GLY 133 Ca 0.02 0.87 -0.21 0.00 0.00 0.00 0.00 44.72 45.39 1b8t s GLY 133 CO -0.09 0.62 0.67 0.00 0.00 0.00 0.00 173.10 174.30 1b8t n ALA 134 N 1.55 -2.47 -4.29 3.20 0.00 -1.26 0.03 120.51 117.26 1b8t n ALA 134 Ca -0.19 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 1b8t n ALA 134 Cb 0.56 -3.17 -0.08 0.00 0.00 0.00 0.00 19.45 16.77 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 -1.89 -0.34 3.20 0.00 0.00 -1.26 -4.30 105.19 100.59 1b8t n GLY 135 Ca -0.14 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1b8t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8t s LYS 136 N -6.77 0.82 0.01 1.61 1.02 0.10 -4.98 119.74 111.55 1b8t s LYS 136 Ca 0.70 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.81 1b8t s LYS 136 Cb -0.41 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1b8t s LYS 136 CO 0.94 -0.25 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.84 1b8t s SER 137 N -2.78 3.92 0.39 2.83 0.01 -1.26 -0.34 113.70 116.46 1b8t s SER 137 Ca 0.04 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 1b8t s SER 137 Cb 0.04 -0.71 0.05 0.00 0.21 0.00 0.00 66.02 65.61 1b8t s SER 137 CO -0.10 0.28 0.73 0.26 0.41 0.00 0.00 173.24 174.82 1b8t s TRP 138 N -0.87 0.35 0.03 2.43 0.52 -0.38 -4.14 118.94 116.88 1b8t s TRP 138 Ca 0.14 -0.95 -0.29 0.00 0.02 0.00 0.00 56.10 55.03 1b8t s TRP 138 Cb -0.11 0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 32.83 1b8t s TRP 138 CO 0.04 -1.51 0.91 -1.01 0.02 0.00 0.00 176.95 175.40 1b8t s HIS 139 N -2.33 3.70 -0.76 -1.98 3.76 -1.26 -0.01 115.29 116.42 1b8t s HIS 139 Ca 0.19 1.65 -0.07 0.00 -0.15 0.00 0.00 55.06 56.68 1b8t s HIS 139 Cb -0.04 -3.02 -0.06 0.00 1.11 0.00 0.00 32.58 30.56 1b8t s HIS 139 CO 0.14 0.10 1.92 0.36 -0.85 0.00 0.00 174.74 176.41 1b8t n LYS 140 N 3.42 1.70 0.00 1.40 -0.00 -1.26 -2.23 118.16 121.18 1b8t n LYS 140 Ca 0.03 -1.36 0.00 0.00 -0.00 0.00 0.00 58.31 56.98 1b8t n LYS 140 Cb 0.50 -2.44 0.00 0.00 -0.00 0.00 0.00 35.03 33.10 1b8t n LYS 140 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1b8t n SER 141 N 4.74 0.00 -0.11 -5.58 2.88 -1.26 -4.95 113.62 109.35 1b8t n SER 141 Ca 0.39 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.80 1b8t n SER 141 Cb 0.15 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1b8t n SER 141 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b8t n PHE 143 N -4.27 0.44 -3.93 0.00 -0.00 -1.10 -4.81 117.46 103.79 1b8t n PHE 143 Ca -0.03 0.30 -0.10 0.00 -0.00 0.00 0.00 57.45 57.61 1b8t n PHE 143 Cb 0.45 -1.43 -0.12 0.00 -0.00 0.00 0.00 39.48 38.38 1b8t n PHE 143 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1b8t s ARG 144 N 4.94 0.22 -0.04 -4.13 1.70 -1.26 -1.23 118.95 119.15 1b8t s ARG 144 Ca 0.80 -0.38 -0.38 0.00 -0.47 0.00 0.00 55.73 55.30 1b8t s ARG 144 Cb -0.80 0.08 -0.16 0.00 -0.57 0.00 0.00 34.95 33.49 1b8t s ARG 144 CO 0.33 -0.04 1.48 0.00 -1.08 0.00 0.00 175.30 175.99 1b8t n ALA 146 N 3.51 4.40 0.00 0.00 0.00 -0.54 -0.20 120.51 127.68 1b8t n ALA 146 Ca 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1b8t n ALA 146 Cb 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1b8t n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b8t n LYS 147 N 0.08 0.00 -0.01 0.00 3.00 -1.26 -4.87 118.16 115.10 1b8t n LYS 147 Ca 0.27 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.63 1b8t n LYS 147 Cb 0.81 -0.30 -0.09 0.00 0.00 0.00 0.00 35.03 35.46 1b8t n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b8t n GLY 149 N 1.92 0.45 3.72 0.00 0.00 0.72 -5.01 105.19 106.98 1b8t n GLY 149 Ca -0.03 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.41 4.60 0.42 1.61 2.20 -1.25 -4.65 119.74 121.27 1b8t s LYS 150 Ca 0.00 1.50 -0.26 0.00 -0.36 0.00 0.00 55.97 56.84 1b8t s LYS 150 Cb 0.00 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1b8t s LYS 150 CO 0.00 0.03 1.43 -1.12 -0.36 0.00 0.00 175.35 175.33 1b8t s SER 151 N 0.56 6.10 0.28 1.43 0.01 -1.26 0.15 113.70 120.97 1b8t s SER 151 Ca 0.51 2.93 -0.19 0.00 1.31 0.00 0.00 55.95 60.50 1b8t s SER 151 Cb -0.23 -2.66 0.06 0.00 0.21 0.00 0.00 66.02 63.40 1b8t s SER 151 CO 0.29 -1.03 0.89 -1.48 0.41 0.00 0.00 173.24 172.33 1b8t s LEU 152 N -2.46 -0.03 0.00 2.44 0.05 -0.36 -4.81 118.68 113.50 1b8t s LEU 152 Ca 0.58 -0.87 0.00 0.00 0.05 0.00 0.00 54.13 53.89 1b8t s LEU 152 Cb -0.44 2.50 0.00 0.00 -2.05 0.00 0.00 46.19 46.20 1b8t s LEU 152 CO 0.58 -1.34 0.00 -1.84 -0.55 0.00 0.00 176.35 173.20 1b8t n GLU 153 N -0.58 0.00 0.00 1.48 0.28 -1.26 -4.34 120.64 116.21 1b8t n GLU 153 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1b8t n GLU 153 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 1b8t n GLU 153 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1b8t n SER 154 N 0.00 0.00 -4.45 -1.84 2.88 -1.26 -4.88 113.62 104.06 1b8t n SER 154 Ca 0.00 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.08 1b8t n SER 154 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1b8t n SER 154 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1b8t n THR 155 N 0.00 0.06 -4.10 2.46 -1.04 -1.26 -1.36 114.28 109.04 1b8t n THR 155 Ca 0.00 -0.26 -0.38 0.00 -2.04 0.00 0.00 64.05 61.37 1b8t n THR 155 Cb 0.00 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.07 1b8t n THR 155 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1b8t n THR 156 N 7.35 -2.55 -3.70 12.58 -2.24 -1.26 -4.83 114.28 119.63 1b8t n THR 156 Ca 0.49 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 1b8t n THR 156 Cb 0.20 -2.14 -0.12 0.00 -2.10 0.00 0.00 70.33 66.17 1b8t n THR 156 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1b8t s LEU 157 N -7.28 3.69 0.32 3.22 2.96 -0.47 -0.97 118.68 120.15 1b8t s LEU 157 Ca 0.27 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 1b8t s LEU 157 Cb -0.14 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.47 1b8t s LEU 157 CO 0.96 -0.07 0.81 0.00 -1.32 0.00 0.00 176.35 176.74 1b8t s ALA 158 N 1.65 3.27 -0.29 5.97 0.00 0.62 -4.90 121.76 128.07 1b8t s ALA 158 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1b8t s ALA 158 Cb -0.16 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.12 1b8t s ALA 158 CO 0.06 0.26 0.06 0.16 0.00 0.00 0.00 175.76 176.30 1b8t s ASP 159 N -1.98 4.00 -0.93 0.00 -4.77 -1.26 -0.85 116.67 110.88 1b8t s ASP 159 Ca 0.52 -1.56 -0.15 0.00 -3.30 0.00 0.00 52.55 48.06 1b8t s ASP 159 Cb -0.13 -1.01 0.19 0.00 -1.09 0.00 0.00 42.92 40.88 1b8t s ASP 159 CO 0.18 -0.37 0.99 -0.75 0.70 0.00 0.00 175.17 175.93 1b8t s LYS 160 N 1.49 3.71 -0.73 2.11 2.20 0.11 -4.67 119.74 123.97 1b8t s LYS 160 Ca 0.06 -2.31 -0.06 0.00 -0.36 0.00 0.00 55.97 53.31 1b8t s LYS 160 Cb -0.18 -4.67 0.01 0.00 -1.51 0.00 0.00 37.83 31.48 1b8t s LYS 160 CO -0.17 -1.50 0.57 -0.25 -0.36 0.00 0.00 175.35 173.64 1b8t n ASP 161 N 4.90 -4.59 0.00 1.43 9.92 -1.26 -0.55 116.55 126.39 1b8t n ASP 161 Ca 0.21 -0.81 0.00 0.00 -0.53 0.00 0.00 54.79 53.65 1b8t n ASP 161 Cb 0.47 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 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 -1.37 2.43 3.67 0.44 0.00 -1.26 -5.00 105.19 104.10 1b8t n GLY 162 Ca -0.28 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 0.31 -4.44 1.61 4.71 0.29 -4.80 120.64 118.31 1b8t n GLU 163 Ca 0.00 0.18 -0.20 0.00 -0.01 0.00 0.00 57.16 57.13 1b8t n GLU 163 Cb 0.00 -2.39 -0.15 0.00 -1.01 0.00 0.00 31.44 27.89 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 -2.01 0.82 0.25 -3.67 -5.25 -1.26 0.06 121.20 110.14 1b8t s ILE 164 Ca 0.74 -0.44 -0.03 0.00 -0.99 0.00 0.00 60.65 59.94 1b8t s ILE 164 Cb -0.31 -0.69 0.01 0.00 2.95 0.00 0.00 42.46 44.43 1b8t s ILE 164 CO 0.50 0.23 0.38 -1.22 -1.79 0.00 0.00 174.94 173.04 1b8t n TYR 165 N 2.87 -1.27 -3.61 1.37 4.01 -0.03 -1.46 117.16 119.05 1b8t n TYR 165 Ca -0.14 -1.62 -0.37 0.00 -0.16 0.00 0.00 57.90 55.61 1b8t n TYR 165 Cb 0.56 0.43 -0.06 0.00 -0.31 0.00 0.00 39.34 39.96 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 4.49 0.36 -0.48 0.00 3.11 -1.38 1.65 116.57 124.33 1b8t h LYS 167 Ca -0.52 -0.02 0.08 0.00 -2.81 0.00 0.00 60.65 57.38 1b8t h LYS 167 Cb 1.21 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.34 1b8t h LYS 167 CO 0.62 0.24 0.32 0.78 -2.81 0.00 0.00 179.45 178.60 1b8t h GLY 168 N 0.37 0.43 0.15 5.01 0.00 -1.93 0.32 103.07 107.42 1b8t h GLY 168 Ca 0.71 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.86 1b8t h GLY 168 CO -0.55 0.09 -0.20 0.00 0.00 0.00 0.00 176.54 175.88 1b8t h TYR 170 N -0.86 0.08 0.00 0.00 3.20 -0.27 0.47 116.97 119.60 1b8t h TYR 170 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1b8t h TYR 170 Cb 1.15 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.39 1b8t h TYR 170 CO 0.26 0.04 -0.21 0.00 -1.64 0.00 0.00 178.16 176.61 1b8t h ALA 171 N 1.74 0.00 -0.02 1.82 0.00 -0.45 -3.29 119.26 119.06 1b8t h ALA 171 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b8t h ALA 171 Cb 0.88 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1b8t h ALA 171 CO -0.02 0.21 -0.07 0.87 0.00 0.00 0.00 179.25 180.23 1b8t h LYS 172 N -0.53 -0.07 -1.89 0.00 1.57 -0.64 0.43 116.57 115.43 1b8t h LYS 172 Ca 0.00 0.01 0.55 0.00 -1.87 0.00 0.00 60.65 59.34 1b8t h LYS 172 Cb 0.21 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 1b8t h LYS 172 CO 0.00 -0.05 1.35 -1.71 -0.57 0.00 0.00 179.45 178.47 1b8t n ASN 173 N -2.96 0.02 -2.87 0.86 2.85 0.17 0.12 115.26 113.44 1b8t n ASN 173 Ca -0.01 1.00 -0.30 0.00 -0.11 0.00 0.00 54.58 55.17 1b8t n ASN 173 Cb 0.05 -0.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.56 1b8t n ASN 173 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1b8t n PHE 174 N -3.93 3.64 -4.22 1.20 3.01 0.14 -5.04 117.46 112.25 1b8t n PHE 174 Ca 0.43 -3.44 -0.25 0.00 1.01 0.00 0.00 57.45 55.21 1b8t n PHE 174 Cb 1.94 -0.49 -0.07 0.00 -0.01 0.00 0.00 39.48 40.85 1b8t n PHE 174 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b8t s GLY 175 N -3.08 1.65 0.15 1.37 0.00 0.33 -4.79 107.32 102.95 1b8t s GLY 175 Ca 0.48 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 1b8t s GLY 175 CO -0.17 -1.51 1.13 2.56 0.00 0.00 0.00 173.10 175.10 1b8t s PRO 176 N -3.33 4.54 -0.08 2.90 0.04 -1.26 -5.04 135.00 132.78 1b8t s PRO 176 Ca 0.30 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1b8t s PRO 176 Cb -0.08 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1b8t s PRO 176 CO 0.20 -0.03 0.28 0.21 0.04 0.00 0.00 177.00 177.71 1b8t s LYS 177 N 0.02 0.43 -0.03 4.56 2.20 -1.26 -5.17 119.74 120.50 1b8t s LYS 177 Ca 0.52 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 1b8t s LYS 177 Cb -0.29 0.20 0.07 0.00 -1.51 0.00 0.00 37.83 36.29 1b8t s LYS 177 CO 0.34 -0.08 0.66 0.20 -0.36 0.00 0.00 175.35 176.10 1b8t s GLY 178 N -0.35 -0.57 0.36 5.54 0.00 -1.26 -5.18 107.32 105.86 1b8t s GLY 178 Ca -0.05 1.19 0.07 0.00 0.00 0.00 0.00 44.72 45.94 1b8t s GLY 178 CO 0.01 0.84 0.43 -1.36 0.00 0.00 0.00 173.10 173.03 1b8t s PHE 179 N -1.46 2.96 0.13 1.90 0.08 -1.26 -5.13 117.98 115.21 1b8t s PHE 179 Ca -0.10 -0.30 -0.24 0.00 0.12 0.00 0.00 56.93 56.41 1b8t s PHE 179 Cb -0.00 -2.03 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 1b8t s PHE 179 CO 0.07 -0.04 0.67 0.20 -0.10 0.00 0.00 175.22 176.02 1b8t s GLY 180 N -4.15 -0.55 -0.30 4.36 0.00 -1.26 -5.15 107.32 100.27 1b8t s GLY 180 Ca 0.46 0.54 -0.05 0.00 0.00 0.00 0.00 44.72 45.67 1b8t s GLY 180 CO 0.30 0.18 0.84 -0.12 0.00 0.00 0.00 173.10 174.30 1b8t s PHE 181 N -3.63 -1.09 0.00 1.90 2.19 -1.26 -5.13 117.98 110.97 1b8t s PHE 181 Ca 0.03 0.80 0.00 0.00 0.33 0.00 0.00 56.93 58.08 1b8t s PHE 181 Cb -0.01 0.25 0.00 0.00 -1.31 0.00 0.00 43.02 41.94 1b8t s PHE 181 CO -0.11 -0.62 0.00 0.41 1.83 0.00 0.00 175.22 176.73 1b8t n GLY 182 N 5.32 2.41 3.47 13.12 0.00 -1.26 -5.17 105.19 123.08 1b8t n GLY 182 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1b8t n GLY 182 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b8t s GLN 183 N -0.65 0.56 0.00 1.61 -2.07 -1.26 -5.09 119.66 112.77 1b8t s GLN 183 Ca 0.00 1.03 0.00 0.00 -1.82 0.00 0.00 55.36 54.57 1b8t s GLN 183 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1b8t s GLN 183 CO 0.00 -0.15 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 1b8t n GLY 184 N 4.29 1.46 3.04 2.60 0.00 -1.26 -5.18 105.19 110.14 1b8t n GLY 184 Ca -0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -0.22 0.00 4.61 0.00 -1.26 -5.16 121.76 119.73 1b8t s ALA 185 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1b8t s ALA 185 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1b8t s ALA 185 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1b8t n GLY 186 N 2.00 3.43 1.38 0.00 0.00 -1.26 -5.14 105.19 105.61 1b8t n GLY 186 Ca -0.20 -1.18 0.18 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.00 -3.68 -1.94 4.61 0.00 -1.26 -5.01 120.51 110.22 1b8t n ALA 187 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 1b8t n ALA 187 Cb 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 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 -4.09 -5.01 0.02 0.00 0.00 -1.26 -5.05 117.00 101.62 1b8t n LEU 188 Ca -0.01 1.83 0.00 0.00 0.00 0.00 0.00 56.01 57.83 1b8t n LEU 188 Cb 0.66 -2.49 0.00 0.00 0.00 0.00 0.00 43.42 41.60 1b8t n LEU 188 CO 0.02 -2.05 -0.24 0.00 0.00 0.00 0.00 177.39 175.12 1b8t n ILE 189 N 1.19 0.25 -3.15 1.96 3.06 -1.26 -4.89 119.36 116.53 1b8t n ILE 189 Ca -0.04 0.08 -0.31 0.00 -2.50 0.00 0.00 62.75 59.98 1b8t n ILE 189 Cb 0.07 -1.21 -0.04 0.00 0.54 0.00 0.00 39.64 39.00 1b8t n ILE 189 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1b8t n HIS 190 N -3.04 3.45 -2.66 9.51 8.25 -1.26 -4.81 115.22 124.66 1b8t n HIS 190 Ca 0.00 -3.70 -0.02 0.00 -0.26 0.00 0.00 57.72 53.74 1b8t n HIS 190 Cb 0.24 -0.72 0.04 0.00 1.12 0.00 0.00 29.99 30.67 1b8t n HIS 190 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1b8t s SER 191 N -2.54 -0.05 0.00 0.41 0.15 -1.26 -5.33 113.70 105.09 1b8t s SER 191 Ca 0.41 -0.05 0.25 0.00 0.70 0.00 0.00 55.95 57.26 1b8t s SER 191 Cb 0.17 0.06 0.41 0.00 -1.71 0.00 0.00 66.02 64.96 1b8t s SER 191 CO -0.04 -0.00 1.39 1.67 1.20 0.00 0.00 173.24 177.46