#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9w n ASN 2 N 0.00 -5.34 -4.75 0.00 2.85 -1.26 -4.88 115.26 101.88 1m9w n ASN 2 Ca 0.00 -0.63 -0.32 0.00 -0.11 0.00 0.00 54.58 53.52 1m9w n ASN 2 Cb 0.00 -2.04 0.08 0.00 1.24 0.00 0.00 39.78 39.06 1m9w n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1m9w s ALA 3 N -2.55 2.25 0.01 5.20 0.00 0.08 -4.90 121.76 121.85 1m9w s ALA 3 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1m9w s ALA 3 Cb -0.01 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1m9w s ALA 3 CO 0.88 -1.68 -0.02 0.99 0.00 0.00 0.00 175.76 175.93 1m9w s THR 4 N -2.55 0.10 -0.00 0.00 2.01 -1.26 -0.71 115.64 113.22 1m9w s THR 4 Ca 0.66 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 62.18 1m9w s THR 4 Cb -0.20 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1m9w s THR 4 CO 0.49 -0.16 0.26 0.54 -0.69 0.00 0.00 174.62 175.07 1m9w s VAL 5 N -0.51 0.07 -0.21 3.82 0.11 -0.32 -4.73 120.40 118.62 1m9w s VAL 5 Ca -0.05 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1m9w s VAL 5 Cb -0.04 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1m9w s VAL 5 CO -0.00 -0.31 -0.17 -0.54 -3.33 0.00 0.00 175.10 170.75 1m9w s LYS 6 N -1.49 2.72 -0.13 1.54 1.02 -0.57 -1.33 119.74 121.49 1m9w s LYS 6 Ca -0.13 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 1m9w s LYS 6 Cb -0.05 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1m9w s LYS 6 CO 0.03 -0.33 1.19 -1.64 -0.92 0.00 0.00 175.35 173.67 1m9w s MET 7 N 1.23 4.29 0.00 1.68 -1.94 0.92 -0.86 119.30 124.62 1m9w s MET 7 Ca 0.00 1.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.59 1m9w s MET 7 Cb -0.15 -3.66 0.00 0.00 2.01 0.00 0.00 34.83 33.03 1m9w s MET 7 CO -0.10 -0.57 0.00 0.41 -0.01 0.00 0.00 175.02 174.74 1m9w n GLY 8 N 3.45 -1.50 3.70 -0.03 0.00 -0.08 -0.53 105.19 110.20 1m9w n GLY 8 Ca 0.12 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1m9w n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m9w n SER 9 N 0.00 1.91 0.14 1.61 2.88 -0.46 -2.92 113.62 116.78 1m9w n SER 9 Ca 0.00 0.89 0.10 0.00 -1.33 0.00 0.00 58.87 58.53 1m9w n SER 9 Cb 0.00 -1.51 0.52 0.00 -0.75 0.00 0.00 64.21 62.47 1m9w n SER 9 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1m9w n ASP 10 N -1.14 0.50 0.02 -3.46 8.00 -1.26 -0.74 116.55 118.47 1m9w n ASP 10 Ca 0.13 0.73 0.13 0.00 0.71 0.00 0.00 54.79 56.49 1m9w n ASP 10 Cb 0.46 -0.79 0.57 0.00 -0.02 0.00 0.00 41.12 41.33 1m9w n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1m9w n SER 11 N -2.17 0.14 0.00 -2.24 7.64 -1.26 -4.91 113.62 110.83 1m9w n SER 11 Ca -0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1m9w n SER 11 Cb 0.03 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1m9w n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m9w n GLY 12 N 1.38 0.87 3.70 0.23 0.00 0.08 -5.09 105.19 106.37 1m9w n GLY 12 Ca 0.07 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1m9w n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9w s ALA 13 N -2.00 3.41 -0.35 4.61 0.00 -1.24 -4.87 121.76 121.32 1m9w s ALA 13 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1m9w s ALA 13 Cb 0.00 -2.93 -0.20 0.00 0.00 0.00 0.00 23.12 19.99 1m9w s ALA 13 CO 0.00 -0.21 1.65 1.28 0.00 0.00 0.00 175.76 178.48 1m9w n LEU 14 N 4.10 2.28 -3.94 0.00 7.99 -1.26 -1.36 117.00 124.81 1m9w n LEU 14 Ca -0.02 -2.02 -0.10 0.00 -0.01 0.00 0.00 56.01 53.87 1m9w n LEU 14 Cb 0.51 -0.76 -0.10 0.00 -0.11 0.00 0.00 43.42 42.95 1m9w n LEU 14 CO 0.46 -1.02 -0.28 0.54 -1.51 0.00 0.00 177.39 175.58 1m9w s VAL 15 N 5.56 0.11 -0.19 4.08 0.11 -1.26 -3.54 120.40 125.26 1m9w s VAL 15 Ca 0.49 -0.90 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 1m9w s VAL 15 Cb 0.11 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1m9w s VAL 15 CO 0.17 -0.49 0.12 0.72 -3.33 0.00 0.00 175.10 172.28 1m9w s PHE 16 N -1.68 3.39 -0.18 1.54 -0.12 -1.26 -0.90 117.98 118.77 1m9w s PHE 16 Ca -0.13 0.30 -0.09 0.00 -0.05 0.00 0.00 56.93 56.96 1m9w s PHE 16 Cb -0.07 -2.14 -0.05 0.00 -0.63 0.00 0.00 43.02 40.13 1m9w s PHE 16 CO -0.01 0.29 0.12 -1.83 -0.05 0.00 0.00 175.22 173.74 1m9w s GLU 17 N 0.30 4.02 0.15 1.99 -1.05 -0.04 -0.81 118.70 123.27 1m9w s GLU 17 Ca 0.08 -0.24 0.26 0.00 -0.15 0.00 0.00 54.97 54.92 1m9w s GLU 17 Cb -0.11 -3.34 0.93 0.00 -0.44 0.00 0.00 34.13 31.17 1m9w s GLU 17 CO -0.01 0.37 1.78 -2.30 0.95 0.00 0.00 175.26 176.04 1m9w n PRO 18 N 3.28 0.17 0.00 -4.83 -0.02 -1.26 -1.51 135.00 130.83 1m9w n PRO 18 Ca -0.17 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1m9w n PRO 18 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1m9w n PRO 18 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1m9w n SER 19 N -2.02 0.00 -3.68 2.55 2.88 0.01 -4.94 113.62 108.42 1m9w n SER 19 Ca 0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 1m9w n SER 19 Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 1m9w n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1m9w s THR 20 N -2.32 -0.03 0.20 2.46 2.01 -1.25 -1.40 115.64 115.31 1m9w s THR 20 Ca 0.00 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 1m9w s THR 20 Cb 0.00 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 1m9w s THR 20 CO 0.00 0.03 0.26 0.54 -0.69 0.00 0.00 174.62 174.75 1m9w s VAL 21 N 1.49 0.02 -0.15 3.82 0.11 -1.24 -5.02 120.40 119.43 1m9w s VAL 21 Ca -0.10 -1.71 -0.01 0.00 -2.93 0.00 0.00 61.98 57.23 1m9w s VAL 21 Cb -0.08 -2.26 0.04 0.00 -1.53 0.00 0.00 36.38 32.55 1m9w s VAL 21 CO -0.15 -0.09 -0.01 0.28 -3.33 0.00 0.00 175.10 171.80 1m9w s THR 22 N -4.08 0.72 0.37 5.04 -1.32 -1.26 -1.04 115.64 114.07 1m9w s THR 22 Ca 0.29 -0.39 0.05 0.00 -1.21 0.00 0.00 61.69 60.44 1m9w s THR 22 Cb 0.04 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1m9w s THR 22 CO 0.08 0.07 0.19 2.30 -2.21 0.00 0.00 174.62 175.04 1m9w n ILE 23 N 5.01 0.00 -4.73 5.08 -5.35 -0.66 -4.23 119.36 114.49 1m9w n ILE 23 Ca -0.10 -2.32 -0.32 0.00 -0.27 0.00 0.00 62.75 59.75 1m9w n ILE 23 Cb 0.48 0.94 -0.08 0.00 -1.74 0.00 0.00 39.64 39.24 1m9w n ILE 23 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1m9w s LYS 24 N -3.44 2.15 -0.09 6.28 -2.85 -1.26 -0.32 119.74 120.20 1m9w s LYS 24 Ca 0.26 -2.34 -0.29 0.00 -1.00 0.00 0.00 55.97 52.60 1m9w s LYS 24 Cb 0.01 -1.55 -0.07 0.00 -2.06 0.00 0.00 37.83 34.16 1m9w s LYS 24 CO 0.19 -0.30 2.08 0.00 0.10 0.00 0.00 175.35 177.42 1m9w s ALA 25 N -2.84 3.17 0.00 0.59 0.00 -1.26 -0.70 121.76 120.71 1m9w s ALA 25 Ca 0.12 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1m9w s ALA 25 Cb 0.03 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1m9w s ALA 25 CO 0.06 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.06 1m9w n GLY 26 N 5.12 0.61 3.89 0.00 0.00 0.39 -4.92 105.19 110.28 1m9w n GLY 26 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1m9w n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m9w s GLU 27 N -0.80 3.34 0.36 1.61 2.12 0.12 -4.85 118.70 120.61 1m9w s GLU 27 Ca 0.00 0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.84 1m9w s GLU 27 Cb 0.00 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 1m9w s GLU 27 CO 0.00 -0.58 0.27 -1.83 -0.54 0.00 0.00 175.26 172.59 1m9w s GLU 28 N -5.07 2.56 -0.31 4.30 -1.05 -1.26 -3.38 118.70 114.50 1m9w s GLU 28 Ca 0.53 -1.45 -0.01 0.00 -0.15 0.00 0.00 54.97 53.89 1m9w s GLU 28 Cb -0.11 -2.35 0.13 0.00 -0.44 0.00 0.00 34.13 31.36 1m9w s GLU 28 CO 0.50 0.01 0.24 0.08 0.95 0.00 0.00 175.26 177.04 1m9w s VAL 29 N -2.40 -0.24 -0.46 1.83 1.01 0.65 -0.74 120.40 120.06 1m9w s VAL 29 Ca 0.42 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1m9w s VAL 29 Cb -0.04 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.44 1m9w s VAL 29 CO 0.26 -0.62 0.41 -1.59 0.00 0.00 0.00 175.10 173.56 1m9w s LYS 30 N 2.04 3.01 -0.23 2.72 -2.85 0.11 -1.41 119.74 123.13 1m9w s LYS 30 Ca 0.11 -1.17 -0.07 0.00 -1.00 0.00 0.00 55.97 53.84 1m9w s LYS 30 Cb -0.16 -4.08 -0.03 0.00 -2.06 0.00 0.00 37.83 31.50 1m9w s LYS 30 CO -0.27 -0.98 0.05 1.67 0.10 0.00 0.00 175.35 175.91 1m9w s TRP 31 N 1.82 3.09 0.12 1.78 -2.14 -1.03 -1.18 118.94 121.41 1m9w s TRP 31 Ca 0.06 -0.39 0.03 0.00 2.66 0.00 0.00 56.10 58.47 1m9w s TRP 31 Cb -0.22 -2.18 -0.04 0.00 -3.10 0.00 0.00 33.47 27.93 1m9w s TRP 31 CO 0.09 -0.28 0.18 0.08 -2.66 0.00 0.00 176.95 174.36 1m9w s VAL 32 N 1.33 4.89 -0.50 -0.66 1.01 -0.44 -1.40 120.40 124.61 1m9w s VAL 32 Ca 0.05 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1m9w s VAL 32 Cb -0.15 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1m9w s VAL 32 CO 0.03 -0.01 0.89 0.21 0.00 0.00 0.00 175.10 176.22 1m9w s ASN 33 N -2.88 6.39 -0.00 3.32 3.84 0.30 -0.05 114.94 125.85 1m9w s ASN 33 Ca 0.32 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.19 1m9w s ASN 33 Cb -0.11 -2.42 -0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1m9w s ASN 33 CO 0.25 -1.10 -0.00 -3.20 -2.79 0.00 0.00 177.10 170.27 1m9w n ASN 34 N 7.16 4.75 -3.56 -4.21 5.15 0.31 -0.55 115.26 124.32 1m9w n ASN 34 Ca 0.03 -0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.88 1m9w n ASN 34 Cb 0.48 0.37 -0.04 0.00 -0.53 0.00 0.00 39.78 40.06 1m9w n ASN 34 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m9w s LYS 35 N -2.00 1.09 -1.28 1.20 2.20 -0.66 -4.93 119.74 115.37 1m9w s LYS 35 Ca -0.00 -0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 54.95 1m9w s LYS 35 Cb 0.00 0.50 0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1m9w s LYS 35 CO 0.00 -0.42 0.56 -0.11 -0.36 0.00 0.00 175.35 175.02 1m9w n LEU 36 N 0.11 -0.60 -4.71 5.43 7.94 -1.26 -3.92 117.00 119.99 1m9w n LEU 36 Ca -0.18 -1.27 -0.36 0.00 -1.11 0.00 0.00 56.01 53.09 1m9w n LEU 36 Cb 0.62 -1.69 0.08 0.00 0.53 0.00 0.00 43.42 42.96 1m9w n LEU 36 CO 0.17 0.72 0.83 -1.20 -1.11 0.00 0.00 177.39 176.80 1m9w n SER 37 N -2.34 1.66 -4.20 1.96 7.64 -1.26 -4.76 113.62 112.32 1m9w n SER 37 Ca -0.15 0.76 -0.29 0.00 1.01 0.00 0.00 58.87 60.19 1m9w n SER 37 Cb 0.59 -1.53 0.20 0.00 -1.01 0.00 0.00 64.21 62.47 1m9w n SER 37 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1m9w s PRO 38 N -3.50 -0.19 0.12 1.43 0.04 -1.26 -5.09 135.00 126.55 1m9w s PRO 38 Ca 0.80 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 1m9w s PRO 38 Cb -0.36 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1m9w s PRO 38 CO 0.44 -3.05 0.30 -3.38 0.04 0.00 0.00 177.00 171.35 1m9w s HIS 39 N -3.20 0.05 0.11 0.56 -3.43 0.20 -5.00 115.29 104.58 1m9w s HIS 39 Ca 0.69 -0.43 -0.16 0.00 -0.80 0.00 0.00 55.06 54.37 1m9w s HIS 39 Cb -0.11 0.08 0.03 0.00 -1.43 0.00 0.00 32.58 31.15 1m9w s HIS 39 CO 0.55 -0.66 0.39 1.21 -2.00 0.00 0.00 174.74 174.24 1m9w s ASN 40 N -2.86 -0.22 -0.26 7.38 3.84 -1.26 0.05 114.94 121.61 1m9w s ASN 40 Ca 0.07 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 52.88 1m9w s ASN 40 Cb 0.03 0.46 0.06 0.00 -0.55 0.00 0.00 41.25 41.25 1m9w s ASN 40 CO -0.09 -0.81 -0.09 -0.63 -2.79 0.00 0.00 177.10 172.69 1m9w s ILE 41 N -3.58 2.08 -0.15 -5.21 1.09 -1.26 -4.05 121.20 110.11 1m9w s ILE 41 Ca 0.02 -1.64 -0.02 0.00 -1.10 0.00 0.00 60.65 57.91 1m9w s ILE 41 Cb 0.02 -2.24 0.05 0.00 -1.06 0.00 0.00 42.46 39.22 1m9w s ILE 41 CO -0.10 -0.09 0.01 0.68 -0.10 0.00 0.00 174.94 175.34 1m9w s VAL 42 N 1.13 0.56 0.10 2.92 -7.23 -0.16 0.31 120.40 118.03 1m9w s VAL 42 Ca -0.07 -0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 1m9w s VAL 42 Cb -0.20 -0.92 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 1m9w s VAL 42 CO -0.06 -0.02 0.93 -0.36 -0.31 0.00 0.00 175.10 175.28 1m9w s PHE 43 N 1.86 3.80 -0.82 2.82 0.08 -1.26 -1.57 117.98 122.89 1m9w s PHE 43 Ca 0.01 1.74 0.12 0.00 0.12 0.00 0.00 56.93 58.93 1m9w s PHE 43 Cb -0.15 -3.01 0.55 0.00 -0.57 0.00 0.00 43.02 39.83 1m9w s PHE 43 CO -0.07 0.22 1.38 0.00 -0.10 0.00 0.00 175.22 176.65 1m9w n ALA 44 N 2.79 1.38 0.00 5.36 0.00 0.59 -4.88 120.51 125.75 1m9w n ALA 44 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1m9w n ALA 44 Cb 0.49 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1m9w n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9w n ALA 45 N -1.58 0.00 -0.08 0.00 0.00 -1.26 -4.70 120.51 112.89 1m9w n ALA 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1m9w n ALA 45 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1m9w n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m9w n ASP 46 N 0.20 0.00 0.00 0.00 9.92 -1.26 -1.41 116.55 124.00 1m9w n ASP 46 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1m9w n ASP 46 Cb 0.00 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 1m9w n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m9w n GLY 47 N -0.59 1.64 0.00 0.44 0.00 -1.26 -4.85 105.19 100.56 1m9w n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1m9w n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1m9w n VAL 48 N -1.40 0.00 -2.51 1.61 3.14 -1.07 -5.09 118.33 113.02 1m9w n VAL 48 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1m9w n VAL 48 Cb 0.00 -0.21 -0.03 0.00 -1.06 0.00 0.00 33.84 32.54 1m9w n VAL 48 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1m9w s ASP 49 N -1.60 6.41 -1.23 6.55 1.47 -0.50 -4.91 116.67 122.85 1m9w s ASP 49 Ca 0.00 2.00 -0.17 0.00 1.18 0.00 0.00 52.55 55.56 1m9w s ASP 49 Cb 0.00 -2.57 -0.02 0.00 -0.34 0.00 0.00 42.92 39.98 1m9w s ASP 49 CO 0.00 -0.74 2.12 0.00 0.68 0.00 0.00 175.17 177.23 1m9w n ALA 50 N -0.70 4.74 -0.31 2.11 0.00 -1.26 -4.75 120.51 120.33 1m9w n ALA 50 Ca 0.08 -3.69 0.10 0.00 0.00 0.00 0.00 53.44 49.93 1m9w n ALA 50 Cb 0.51 -3.57 0.27 0.00 0.00 0.00 0.00 19.45 16.66 1m9w n ALA 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1m9w h ASP 51 N 6.69 0.50 0.00 0.00 2.03 -1.91 0.02 116.42 123.75 1m9w h ASP 51 Ca 0.52 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.93 1m9w h ASP 51 Cb 0.66 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 1m9w h ASP 51 CO 1.90 0.15 0.00 1.07 -1.03 0.00 0.00 179.24 181.33 1m9w n THR 52 N -4.92 0.00 0.00 1.15 5.66 -1.26 -2.69 114.28 112.22 1m9w n THR 52 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 1m9w n THR 52 Cb 0.54 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 1m9w n THR 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1m9w n ALA 53 N -0.99 1.15 0.97 1.79 0.00 -0.16 -4.81 120.51 118.46 1m9w n ALA 53 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1m9w n ALA 53 Cb 0.06 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.62 1m9w n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9w n ALA 54 N -0.85 2.46 -2.31 0.00 0.00 -0.32 -5.00 120.51 114.49 1m9w n ALA 54 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 53.44 52.58 1m9w n ALA 54 Cb 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 1m9w n ALA 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1m9w s LYS 55 N -1.96 1.37 0.81 0.00 -2.85 -1.10 -4.86 119.74 111.15 1m9w s LYS 55 Ca 0.28 -1.73 -0.11 0.00 -1.00 0.00 0.00 55.97 53.41 1m9w s LYS 55 Cb 0.20 -0.32 0.08 0.00 -2.06 0.00 0.00 37.83 35.72 1m9w s LYS 55 CO 0.30 -0.25 1.09 -0.51 0.10 0.00 0.00 175.35 176.08 1m9w s LEU 56 N -3.30 2.65 0.00 2.77 1.43 0.15 -4.92 118.68 117.45 1m9w s LEU 56 Ca 0.35 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 1m9w s LEU 56 Cb 0.07 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1m9w s LEU 56 CO 0.12 -2.11 0.34 -1.20 0.23 0.00 0.00 176.35 173.72 1m9w n SER 57 N -3.54 1.01 0.00 2.29 7.64 -1.26 -4.79 113.62 114.96 1m9w n SER 57 Ca 0.07 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1m9w n SER 57 Cb 0.55 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1m9w n SER 57 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1m9w n HIS 58 N 0.88 0.00 0.10 1.43 8.25 -1.26 -2.49 115.22 122.13 1m9w n HIS 58 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1m9w n HIS 58 Cb 0.16 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 1m9w n HIS 58 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1m9w h LYS 59 N 0.00 0.00 -7.10 -0.41 1.63 -2.01 -3.45 116.57 105.24 1m9w h LYS 59 Ca 0.00 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.33 1m9w h LYS 59 Cb 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1m9w h LYS 59 CO 0.00 0.12 0.38 0.20 -3.45 0.00 0.00 179.45 176.70 1m9w s GLY 60 N -4.48 2.42 0.34 5.01 0.00 -1.04 -5.07 107.32 104.51 1m9w s GLY 60 Ca -0.00 0.54 -0.09 0.00 0.00 0.00 0.00 44.72 45.17 1m9w s GLY 60 CO 0.78 0.86 0.60 0.48 0.00 0.00 0.00 173.10 175.82 1m9w s LEU 61 N -3.66 0.50 -0.40 0.66 2.34 -1.26 -4.48 118.68 112.38 1m9w s LEU 61 Ca 0.66 -1.25 -0.06 0.00 0.06 0.00 0.00 54.13 53.53 1m9w s LEU 61 Cb -0.16 2.07 0.08 0.00 -0.56 0.00 0.00 46.19 47.62 1m9w s LEU 61 CO 0.23 -1.42 0.21 0.00 -1.06 0.00 0.00 176.35 174.30 1m9w s ALA 62 N -2.94 3.18 -0.09 1.48 0.00 0.11 -4.96 121.76 118.55 1m9w s ALA 62 Ca 0.23 -2.19 0.18 0.00 0.00 0.00 0.00 51.96 50.18 1m9w s ALA 62 Cb -0.02 -2.48 -0.26 0.00 0.00 0.00 0.00 23.12 20.35 1m9w s ALA 62 CO 0.15 -1.63 0.27 1.97 0.00 0.00 0.00 175.76 176.52 1m9w n PHE 63 N 4.79 0.00 -4.73 0.00 -1.74 -1.26 -0.63 117.46 113.89 1m9w n PHE 63 Ca -0.09 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.47 1m9w n PHE 63 Cb 0.43 -0.61 -0.14 0.00 1.52 0.00 0.00 39.48 40.68 1m9w n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1m9w s ALA 64 N -2.95 2.70 -0.32 1.98 0.00 -1.26 -4.56 121.76 117.35 1m9w s ALA 64 Ca -0.08 -0.89 -0.39 0.00 0.00 0.00 0.00 51.96 50.61 1m9w s ALA 64 Cb 0.09 -1.23 -0.15 0.00 0.00 0.00 0.00 23.12 21.83 1m9w s ALA 64 CO 0.76 0.30 1.92 0.00 0.00 0.00 0.00 175.76 178.74 1m9w n ALA 65 N 3.31 0.27 0.00 0.00 0.00 -1.26 -1.16 120.51 121.67 1m9w n ALA 65 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1m9w n ALA 65 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1m9w n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9w n GLY 66 N 5.24 0.67 3.71 0.00 0.00 0.29 -5.03 105.19 110.07 1m9w n GLY 66 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1m9w n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m9w s GLU 67 N -0.55 1.39 0.07 1.61 2.02 -0.31 -4.73 118.70 118.19 1m9w s GLU 67 Ca 0.00 0.99 -0.27 0.00 0.02 0.00 0.00 54.97 55.71 1m9w s GLU 67 Cb 0.00 -1.81 0.08 0.00 0.10 0.00 0.00 34.13 32.50 1m9w s GLU 67 CO 0.00 -2.20 0.95 -1.54 0.02 0.00 0.00 175.26 172.49 1m9w s SER 68 N -3.29 -0.25 -0.01 -0.19 1.04 -1.26 -0.54 113.70 109.20 1m9w s SER 68 Ca 0.63 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 1m9w s SER 68 Cb -0.19 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1m9w s SER 68 CO 0.57 -0.73 0.02 0.72 0.98 0.00 0.00 173.24 174.80 1m9w s PHE 69 N -3.15 -0.01 -0.00 5.02 -0.71 -0.49 -4.99 117.98 113.64 1m9w s PHE 69 Ca 0.09 0.04 0.03 0.00 -1.04 0.00 0.00 56.93 56.04 1m9w s PHE 69 Cb -0.01 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 1m9w s PHE 69 CO -0.03 -0.03 -0.06 -0.08 -1.34 0.00 0.00 175.22 173.68 1m9w s THR 70 N -0.08 3.70 -0.05 -4.49 -1.32 -1.26 -2.46 115.64 109.68 1m9w s THR 70 Ca -0.01 -0.73 0.05 0.00 -1.21 0.00 0.00 61.69 59.79 1m9w s THR 70 Cb -0.01 -2.60 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1m9w s THR 70 CO -0.00 0.41 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.69 1m9w s SER 71 N -1.37 2.38 -0.01 8.08 1.04 -0.50 -5.00 113.70 118.32 1m9w s SER 71 Ca 0.17 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1m9w s SER 71 Cb -0.11 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.33 1m9w s SER 71 CO 0.07 0.17 -0.05 -0.89 0.98 0.00 0.00 173.24 173.52 1m9w s THR 72 N 0.01 0.46 0.06 2.02 2.01 -1.26 -0.25 115.64 118.69 1m9w s THR 72 Ca -0.04 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 1m9w s THR 72 Cb -0.12 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1m9w s THR 72 CO 0.03 0.15 0.24 0.72 -0.69 0.00 0.00 174.62 175.07 1m9w s PHE 73 N 0.15 0.01 0.00 4.92 -0.12 -1.22 -5.00 117.98 116.72 1m9w s PHE 73 Ca -0.01 -0.27 0.09 0.00 -0.05 0.00 0.00 56.93 56.69 1m9w s PHE 73 Cb -0.06 0.02 0.15 0.00 -0.63 0.00 0.00 43.02 42.50 1m9w s PHE 73 CO -0.00 -0.50 1.06 -2.37 -0.05 0.00 0.00 175.22 173.35 1m9w n THR 74 N 0.38 0.00 -3.36 -4.49 5.66 -1.26 -0.47 114.28 110.75 1m9w n THR 74 Ca -0.18 -0.34 -0.46 0.00 -3.05 0.00 0.00 64.05 60.02 1m9w n THR 74 Cb 0.60 0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 70.02 1m9w n THR 74 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1m9w s GLU 75 N 0.00 3.37 -0.40 1.09 1.03 -1.26 -4.84 118.70 117.70 1m9w s GLU 75 Ca 0.12 -2.29 -0.35 0.00 0.03 0.00 0.00 54.97 52.48 1m9w s GLU 75 Cb 0.13 -4.34 -0.12 0.00 -0.80 0.00 0.00 34.13 29.00 1m9w s GLU 75 CO -0.06 -1.29 2.23 -0.35 -1.33 0.00 0.00 175.26 174.46 1m9w n PRO 76 N 4.24 0.97 0.00 -4.83 -0.04 -1.26 -4.45 135.00 129.63 1m9w n PRO 76 Ca 0.07 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1m9w n PRO 76 Cb 0.45 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1m9w n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m9w n GLY 77 N 6.56 -0.52 3.59 0.55 0.00 0.43 -5.01 105.19 110.79 1m9w n GLY 77 Ca 0.43 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1m9w n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m9w s THR 78 N 0.00 0.00 -0.00 2.61 -1.32 -1.26 -1.05 115.64 114.61 1m9w s THR 78 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1m9w s THR 78 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1m9w s THR 78 CO 0.00 0.00 -0.08 -0.72 -2.21 0.00 0.00 174.62 171.61 1m9w s TYR 79 N -0.63 0.70 0.06 9.09 1.13 0.16 -4.95 117.35 122.92 1m9w s TYR 79 Ca -0.01 -0.15 -0.16 0.00 -1.41 0.00 0.00 57.07 55.34 1m9w s TYR 79 Cb -0.02 -0.45 -0.06 0.00 -1.10 0.00 0.00 41.96 40.33 1m9w s TYR 79 CO 0.00 -0.01 0.49 0.99 -2.51 0.00 0.00 175.55 174.51 1m9w s THR 80 N -0.24 4.91 0.22 -3.49 2.01 -1.26 -1.09 115.64 116.69 1m9w s THR 80 Ca 0.02 0.92 -0.08 0.00 0.31 0.00 0.00 61.69 62.87 1m9w s THR 80 Cb -0.03 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1m9w s THR 80 CO -0.00 0.47 0.32 -0.72 -0.69 0.00 0.00 174.62 174.00 1m9w s TYR 81 N -1.20 0.70 0.27 4.92 1.13 -0.47 -0.30 117.35 122.40 1m9w s TYR 81 Ca 0.29 -1.00 -0.14 0.00 -1.41 0.00 0.00 57.07 54.80 1m9w s TYR 81 Cb -0.17 -0.14 0.05 0.00 -1.10 0.00 0.00 41.96 40.60 1m9w s TYR 81 CO 0.17 -0.82 0.73 2.48 -2.51 0.00 0.00 175.55 175.59 1m9w n TYR 82 N -0.32 -1.86 -3.91 -3.49 4.11 -0.61 -0.59 117.16 110.49 1m9w n TYR 82 Ca -0.01 -1.40 -0.35 0.00 -0.00 0.00 0.00 57.90 56.14 1m9w n TYR 82 Cb 0.64 0.70 -0.14 0.00 -0.00 0.00 0.00 39.34 40.54 1m9w n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1m9w n GLU 84 N 4.66 -0.23 0.01 0.00 -0.58 -1.26 -1.32 120.64 121.92 1m9w n GLU 84 Ca -0.14 1.17 0.04 0.00 -0.42 0.00 0.00 57.16 57.80 1m9w n GLU 84 Cb 0.45 -1.73 0.18 0.00 -0.57 0.00 0.00 31.44 29.77 1m9w n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1m9w n PRO 85 N -4.19 0.01 0.00 3.49 -0.04 -1.26 -2.71 135.00 130.30 1m9w n PRO 85 Ca 0.01 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1m9w n PRO 85 Cb 0.14 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1m9w n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1m9w n HIS 86 N -1.55 0.00 -0.17 0.54 8.25 -0.43 -4.84 115.22 117.02 1m9w n HIS 86 Ca 0.02 -0.39 -0.10 0.00 -0.26 0.00 0.00 57.72 56.99 1m9w n HIS 86 Cb 0.09 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.08 1m9w n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1m9w h ARG 87 N 0.00 -0.21 0.00 -0.41 2.43 -1.00 -1.23 114.38 113.95 1m9w h ARG 87 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1m9w h ARG 87 Cb 0.60 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1m9w h ARG 87 CO 0.00 -0.14 0.00 0.41 -1.51 0.00 0.00 179.97 178.73 1m9w n GLY 88 N -1.26 -1.06 0.20 2.80 0.00 -1.26 -1.58 105.19 103.02 1m9w n GLY 88 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1m9w n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9w n ALA 89 N -1.73 3.69 0.00 4.61 0.00 -0.63 -4.98 120.51 121.47 1m9w n ALA 89 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1m9w n ALA 89 Cb 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1m9w n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9w n GLY 90 N 1.43 1.09 2.51 0.00 0.00 -0.62 -4.97 105.19 104.63 1m9w n GLY 90 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1m9w n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1m9w n MET 91 N -1.67 3.42 -4.17 1.61 0.00 -0.56 -4.82 117.12 110.92 1m9w n MET 91 Ca 0.00 -2.49 -0.14 0.00 -0.00 0.00 0.00 57.70 55.06 1m9w n MET 91 Cb 0.00 -2.99 -0.11 0.00 0.00 0.00 0.00 33.22 30.12 1m9w n MET 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1m9w s VAL 92 N 2.30 0.93 0.00 1.12 0.11 -1.26 -0.25 120.40 123.35 1m9w s VAL 92 Ca 0.59 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1m9w s VAL 92 Cb 0.16 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1m9w s VAL 92 CO -0.07 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 171.77 1m9w n GLY 93 N 0.63 1.27 3.24 6.54 0.00 0.24 -4.90 105.19 112.21 1m9w n GLY 93 Ca -0.17 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1m9w n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m9w s LYS 94 N -1.88 1.45 -0.15 1.61 2.20 -0.49 -1.37 119.74 121.10 1m9w s LYS 94 Ca 0.00 -1.80 -0.10 0.00 -0.36 0.00 0.00 55.97 53.70 1m9w s LYS 94 Cb 0.00 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.67 1m9w s LYS 94 CO 0.00 -0.51 0.38 0.08 -0.36 0.00 0.00 175.35 174.94 1m9w s VAL 95 N -3.83 -0.02 -0.10 4.02 1.01 -0.25 -3.72 120.40 117.50 1m9w s VAL 95 Ca 0.40 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.46 1m9w s VAL 95 Cb 0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1m9w s VAL 95 CO 0.19 0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 174.43 1m9w s VAL 96 N 0.93 2.52 -0.06 2.92 1.01 -0.20 -0.66 120.40 126.85 1m9w s VAL 96 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1m9w s VAL 96 Cb -0.06 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1m9w s VAL 96 CO -0.07 0.55 -0.15 0.68 0.00 0.00 0.00 175.10 176.11 1m9w s VAL 97 N 0.23 1.30 0.00 2.92 -7.23 -0.22 -1.65 120.40 115.76 1m9w s VAL 97 Ca -0.12 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1m9w s VAL 97 Cb -0.16 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1m9w s VAL 97 CO 0.07 0.38 0.00 -1.84 -0.31 0.00 0.00 175.10 173.40