#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 -2.95 -4.91 0.00 2.85 -1.25 -4.97 115.26 104.03 1m9w n ASN 2 Ca 0.00 -0.18 -0.21 0.00 -0.11 0.00 0.00 54.58 54.08 1m9w n ASN 2 Cb 0.00 -0.88 0.05 0.00 1.24 0.00 0.00 39.78 40.19 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 -1.14 4.00 -0.06 5.20 0.00 0.15 -4.97 121.76 124.95 1m9w s ALA 3 Ca 0.17 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 1m9w s ALA 3 Cb -0.02 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.19 1m9w s ALA 3 CO 0.49 -0.89 0.38 0.99 0.00 0.00 0.00 175.76 176.74 1m9w s THR 4 N -2.80 0.03 0.01 0.00 2.01 -1.26 -0.83 115.64 112.80 1m9w s THR 4 Ca 0.60 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 1m9w s THR 4 Cb -0.09 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.79 1m9w s THR 4 CO 0.39 -0.16 0.31 0.54 -0.69 0.00 0.00 174.62 175.02 1m9w s VAL 5 N -0.91 0.07 -0.19 3.82 0.11 -1.11 -4.44 120.40 117.76 1m9w s VAL 5 Ca -0.10 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1m9w s VAL 5 Cb -0.04 -0.75 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1m9w s VAL 5 CO 0.04 -0.31 -0.06 -0.54 -3.33 0.00 0.00 175.10 170.91 1m9w s LYS 6 N -1.83 3.43 -0.16 1.54 1.02 -0.25 -1.03 119.74 122.46 1m9w s LYS 6 Ca -0.10 -0.62 -0.22 0.00 0.02 0.00 0.00 55.97 55.05 1m9w s LYS 6 Cb -0.03 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1m9w s LYS 6 CO 0.01 -0.03 0.69 -1.64 -0.92 0.00 0.00 175.35 173.46 1m9w s MET 7 N 1.05 4.29 0.00 1.68 -1.94 0.97 -0.80 119.30 124.54 1m9w s MET 7 Ca 0.01 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.76 1m9w s MET 7 Cb -0.15 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.15 1m9w s MET 7 CO -0.00 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1m9w n GLY 8 N 3.54 -1.49 3.71 -0.03 0.00 -0.58 -0.05 105.19 110.29 1m9w n GLY 8 Ca -0.00 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 2.24 0.20 1.61 2.88 -0.14 -2.91 113.62 117.50 1m9w n SER 9 Ca 0.00 0.94 0.14 0.00 -1.33 0.00 0.00 58.87 58.62 1m9w n SER 9 Cb 0.00 -1.53 0.72 0.00 -0.75 0.00 0.00 64.21 62.65 1m9w n SER 9 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1m9w h ASP 10 N 1.19 0.00 0.74 -3.46 3.32 -1.92 0.62 116.42 116.91 1m9w h ASP 10 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1m9w h ASP 10 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1m9w h ASP 10 CO 0.56 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.54 1m9w n SER 11 N -2.44 0.00 -1.13 6.45 3.41 -1.26 -4.90 113.62 113.76 1m9w n SER 11 Ca -0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1m9w n SER 11 Cb 0.05 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1m9w n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m9w n GLY 12 N 0.97 0.83 2.96 5.00 0.00 0.20 -5.10 105.19 110.05 1m9w n GLY 12 Ca 0.07 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.77 0.79 -0.60 4.61 0.00 -1.19 -4.89 121.76 117.70 1m9w s ALA 13 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 1m9w s ALA 13 Cb 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 23.12 22.60 1m9w s ALA 13 CO 0.00 0.08 1.83 1.47 0.00 0.00 0.00 175.76 179.14 1m9w n LEU 14 N 3.60 3.39 -3.79 0.00 -0.00 -1.26 -0.96 117.00 117.97 1m9w n LEU 14 Ca -0.21 -2.49 -0.13 0.00 -0.00 0.00 0.00 56.01 53.18 1m9w n LEU 14 Cb 0.53 -0.95 -0.09 0.00 -0.00 0.00 0.00 43.42 42.90 1m9w n LEU 14 CO 0.24 -0.51 -0.04 0.54 -0.00 0.00 0.00 177.39 177.62 1m9w s VAL 15 N 5.01 0.05 -0.05 1.47 0.11 -1.26 -3.39 120.40 122.33 1m9w s VAL 15 Ca 0.51 -0.42 -0.10 0.00 -2.93 0.00 0.00 61.98 59.03 1m9w s VAL 15 Cb 0.12 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1m9w s VAL 15 CO 0.12 -0.23 0.27 0.72 -3.33 0.00 0.00 175.10 172.65 1m9w s PHE 16 N -1.01 3.65 -0.30 1.54 -0.12 -1.26 -1.53 117.98 118.96 1m9w s PHE 16 Ca -0.11 0.74 0.02 0.00 -0.05 0.00 0.00 56.93 57.53 1m9w s PHE 16 Cb -0.05 -2.10 0.09 0.00 -0.63 0.00 0.00 43.02 40.33 1m9w s PHE 16 CO 0.03 0.68 0.02 -1.83 -0.05 0.00 0.00 175.22 174.07 1m9w s GLU 17 N -1.15 1.40 0.21 1.99 -1.05 0.02 -1.15 118.70 118.98 1m9w s GLU 17 Ca 0.20 -1.41 -0.28 0.00 -0.15 0.00 0.00 54.97 53.33 1m9w s GLU 17 Cb -0.14 -2.73 -0.09 0.00 -0.44 0.00 0.00 34.13 30.73 1m9w s GLU 17 CO 0.09 -0.83 0.87 -1.25 0.95 0.00 0.00 175.26 175.09 1m9w s PRO 18 N 1.22 4.72 0.36 -4.83 0.04 -1.26 -1.09 135.00 134.15 1m9w s PRO 18 Ca 0.05 1.34 0.27 0.00 0.04 0.00 0.00 61.00 62.69 1m9w s PRO 18 Cb -0.19 -3.25 1.07 0.00 0.04 0.00 0.00 34.50 32.18 1m9w s PRO 18 CO -0.11 0.53 1.80 0.77 0.04 0.00 0.00 177.00 180.03 1m9w h SER 19 N 4.17 0.00 -4.07 6.66 0.02 -1.51 -3.43 113.55 115.38 1m9w h SER 19 Ca -0.46 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1m9w h SER 19 Cb 1.20 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.53 1m9w h SER 19 CO 0.67 0.00 0.02 -0.89 -1.14 0.00 0.00 176.83 175.49 1m9w s THR 20 N -3.41 0.00 0.02 -2.27 2.01 -1.25 -3.00 115.64 107.74 1m9w s THR 20 Ca 0.04 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1m9w s THR 20 Cb 0.09 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1m9w s THR 20 CO 0.47 -0.01 -0.04 0.54 -0.69 0.00 0.00 174.62 174.89 1m9w s VAL 21 N 0.16 0.22 -0.39 3.82 0.11 -1.24 -5.02 120.40 118.05 1m9w s VAL 21 Ca -0.01 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.08 1m9w s VAL 21 Cb -0.04 -0.34 0.10 0.00 -1.53 0.00 0.00 36.38 34.57 1m9w s VAL 21 CO 0.02 -0.45 0.18 0.28 -3.33 0.00 0.00 175.10 171.80 1m9w s THR 22 N -1.39 3.41 0.40 5.04 -1.32 -1.26 -0.80 115.64 119.73 1m9w s THR 22 Ca -0.14 -1.84 0.02 0.00 -1.21 0.00 0.00 61.69 58.53 1m9w s THR 22 Cb -0.10 -3.24 -0.01 0.00 -1.51 0.00 0.00 72.50 67.65 1m9w s THR 22 CO -0.01 -0.57 0.08 2.30 -2.21 0.00 0.00 174.62 174.21 1m9w n ILE 23 N 4.66 0.00 -4.14 5.08 -5.35 0.33 -2.25 119.36 117.68 1m9w n ILE 23 Ca -0.05 -2.14 -0.26 0.00 -0.27 0.00 0.00 62.75 60.03 1m9w n ILE 23 Cb 0.42 0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 38.89 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 -3.49 2.23 -0.70 6.28 0.00 -1.26 -0.11 119.74 122.69 1m9w s LYS 24 Ca 0.11 -1.93 -0.15 0.00 0.00 0.00 0.00 55.97 54.01 1m9w s LYS 24 Cb 0.01 -1.96 -0.12 0.00 0.00 0.00 0.00 37.83 35.75 1m9w s LYS 24 CO 0.08 -0.23 1.89 0.00 0.00 0.00 0.00 175.35 177.09 1m9w n ALA 25 N -1.33 3.44 0.00 0.59 0.00 -0.87 -1.14 120.51 121.19 1m9w n ALA 25 Ca -0.03 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1m9w n ALA 25 Cb 0.65 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.79 1m9w n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9w n GLY 26 N 4.23 0.05 3.52 0.00 0.00 -0.94 -4.72 105.19 107.33 1m9w n GLY 26 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.77 0.28 1.61 2.56 -0.29 -4.93 118.70 119.71 1m9w s GLU 27 Ca 0.00 -1.94 0.08 0.00 0.00 0.00 0.00 54.97 53.12 1m9w s GLU 27 Cb 0.00 -1.48 -0.04 0.00 2.00 0.00 0.00 34.13 34.61 1m9w s GLU 27 CO 0.00 0.04 0.13 -1.83 -0.56 0.00 0.00 175.26 173.04 1m9w s GLU 28 N -3.69 2.58 -0.26 4.30 -1.05 -1.26 -2.41 118.70 116.92 1m9w s GLU 28 Ca 0.33 -1.30 -0.02 0.00 -0.15 0.00 0.00 54.97 53.83 1m9w s GLU 28 Cb 0.05 -2.34 0.12 0.00 -0.44 0.00 0.00 34.13 31.51 1m9w s GLU 28 CO 0.16 0.30 0.25 0.08 0.95 0.00 0.00 175.26 176.99 1m9w s VAL 29 N -2.28 -0.34 -0.78 1.83 1.01 0.78 -0.68 120.40 119.95 1m9w s VAL 29 Ca 0.34 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1m9w s VAL 29 Cb -0.06 -0.88 0.20 0.00 0.00 0.00 0.00 36.38 35.64 1m9w s VAL 29 CO 0.23 -0.41 0.67 -1.59 0.00 0.00 0.00 175.10 174.00 1m9w s LYS 30 N 2.32 3.22 0.10 2.72 -2.85 -0.01 -1.06 119.74 124.18 1m9w s LYS 30 Ca 0.09 -2.65 -0.23 0.00 -1.00 0.00 0.00 55.97 52.18 1m9w s LYS 30 Cb -0.15 -4.12 -0.07 0.00 -2.06 0.00 0.00 37.83 31.43 1m9w s LYS 30 CO -0.26 -1.24 0.69 1.67 0.10 0.00 0.00 175.35 176.31 1m9w s TRP 31 N -0.22 3.83 0.05 1.78 -2.14 -1.15 -2.75 118.94 118.34 1m9w s TRP 31 Ca 0.20 1.46 0.08 0.00 2.66 0.00 0.00 56.10 60.49 1m9w s TRP 31 Cb -0.14 -2.67 -0.03 0.00 -3.10 0.00 0.00 33.47 27.53 1m9w s TRP 31 CO -0.07 0.49 -0.21 0.08 -2.66 0.00 0.00 176.95 174.58 1m9w s VAL 32 N -0.90 1.71 -0.07 -0.66 1.01 -0.20 -1.16 120.40 120.14 1m9w s VAL 32 Ca 0.33 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1m9w s VAL 32 Cb -0.21 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1m9w s VAL 32 CO 0.23 0.18 1.25 0.21 0.00 0.00 0.00 175.10 176.96 1m9w s ASN 33 N -1.29 7.00 0.00 3.32 3.84 0.57 -0.02 114.94 128.36 1m9w s ASN 33 Ca 0.08 1.84 0.00 0.00 0.21 0.00 0.00 52.86 54.99 1m9w s ASN 33 Cb -0.09 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1m9w s ASN 33 CO 0.02 -0.64 0.00 -3.20 -2.79 0.00 0.00 177.10 170.49 1m9w n ASN 34 N 5.52 1.94 -3.52 -4.21 5.15 0.93 -1.54 115.26 119.54 1m9w n ASN 34 Ca 0.12 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.01 1m9w n ASN 34 Cb 0.45 0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.89 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 -1.34 0.77 -1.22 1.20 2.20 -0.90 -4.95 119.74 115.50 1m9w s LYS 35 Ca 0.00 -0.24 -0.17 0.00 -0.36 0.00 0.00 55.97 55.21 1m9w s LYS 35 Cb 0.00 0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1m9w s LYS 35 CO 0.00 -0.33 0.68 -0.11 -0.36 0.00 0.00 175.35 175.24 1m9w n LEU 36 N -0.12 -2.41 -4.68 5.43 7.94 -1.26 -3.91 117.00 117.99 1m9w n LEU 36 Ca -0.08 -1.04 -0.33 0.00 -1.11 0.00 0.00 56.01 53.44 1m9w n LEU 36 Cb 0.61 -2.27 0.13 0.00 0.53 0.00 0.00 43.42 42.42 1m9w n LEU 36 CO 0.11 0.50 0.72 -1.20 -1.11 0.00 0.00 177.39 176.41 1m9w n SER 37 N -2.70 0.84 -4.87 1.96 7.64 -1.26 -4.73 113.62 110.49 1m9w n SER 37 Ca -0.15 0.56 -0.31 0.00 1.01 0.00 0.00 58.87 59.98 1m9w n SER 37 Cb 0.61 -1.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.33 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 -4.13 3.51 0.01 1.43 0.04 -1.26 -5.07 135.00 129.53 1m9w s PRO 38 Ca 0.72 0.71 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1m9w s PRO 38 Cb -0.28 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1m9w s PRO 38 CO 0.52 -0.62 -0.05 -3.38 0.04 0.00 0.00 177.00 173.51 1m9w s HIS 39 N -3.20 0.41 0.02 0.56 -3.43 0.20 -4.85 115.29 105.00 1m9w s HIS 39 Ca 0.55 -0.20 -0.02 0.00 -0.80 0.00 0.00 55.06 54.59 1m9w s HIS 39 Cb -0.11 -0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 30.76 1m9w s HIS 39 CO 0.54 -0.04 0.02 1.21 -2.00 0.00 0.00 174.74 174.47 1m9w s ASN 40 N -0.53 0.19 -0.46 7.38 3.84 -1.26 0.32 114.94 124.40 1m9w s ASN 40 Ca -0.02 -0.44 0.02 0.00 0.21 0.00 0.00 52.86 52.63 1m9w s ASN 40 Cb -0.04 0.14 0.12 0.00 -0.55 0.00 0.00 41.25 40.92 1m9w s ASN 40 CO -0.00 -0.34 0.21 -0.63 -2.79 0.00 0.00 177.10 173.55 1m9w s ILE 41 N -1.60 2.76 -0.20 -5.21 -1.09 -1.26 -3.92 121.20 110.69 1m9w s ILE 41 Ca -0.14 -2.77 0.01 0.00 -2.23 0.00 0.00 60.65 55.51 1m9w s ILE 41 Cb -0.08 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.92 1m9w s ILE 41 CO -0.01 -0.73 -0.10 0.68 -1.23 0.00 0.00 174.94 173.55 1m9w s VAL 42 N 0.33 1.61 0.88 2.92 -7.23 -0.22 0.26 120.40 118.95 1m9w s VAL 42 Ca 0.14 -0.99 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 1m9w s VAL 42 Cb -0.22 -1.69 0.12 0.00 0.56 0.00 0.00 36.38 35.14 1m9w s VAL 42 CO -0.04 0.16 1.12 -0.36 -0.31 0.00 0.00 175.10 175.67 1m9w s PHE 43 N 1.41 2.59 -1.57 2.82 0.40 -1.26 -0.63 117.98 121.73 1m9w s PHE 43 Ca -0.01 0.98 0.19 0.00 -0.60 0.00 0.00 56.93 57.49 1m9w s PHE 43 Cb -0.16 -3.28 -0.06 0.00 0.51 0.00 0.00 43.02 40.03 1m9w s PHE 43 CO -0.08 -2.20 0.94 0.00 0.70 0.00 0.00 175.22 174.58 1m9w n ALA 44 N -3.69 3.66 -3.05 5.36 0.00 0.65 -4.85 120.51 118.59 1m9w n ALA 44 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1m9w n ALA 44 Cb 0.58 -0.69 0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.40 -1.59 -0.40 0.00 0.00 -1.26 -4.92 120.51 111.94 1m9w n ALA 45 Ca 0.07 -0.03 0.32 0.00 0.00 0.00 0.00 53.44 53.81 1m9w n ALA 45 Cb 0.38 -2.26 0.60 0.00 0.00 0.00 0.00 19.45 18.17 1m9w n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1m9w h ASP 46 N -1.37 0.32 0.00 0.00 5.19 -1.90 -3.45 116.42 115.21 1m9w h ASP 46 Ca -0.45 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1m9w h ASP 46 Cb 1.26 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1m9w h ASP 46 CO 0.37 -0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 1m9w n GLY 47 N -1.45 0.32 0.00 2.75 0.00 -1.26 -4.99 105.19 100.56 1m9w n GLY 47 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1m9w n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1m9w n VAL 48 N 0.00 0.00 -3.23 1.61 0.24 -1.26 -5.11 118.33 110.57 1m9w n VAL 48 Ca 0.00 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 61.96 1m9w n VAL 48 Cb 0.00 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1m9w n VAL 48 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1m9w s ASP 49 N -0.18 5.98 -0.80 -1.34 -4.77 -1.26 -4.97 116.67 109.32 1m9w s ASP 49 Ca 0.00 0.19 0.02 0.00 -3.30 0.00 0.00 52.55 49.46 1m9w s ASP 49 Cb 0.00 -1.57 0.33 0.00 -1.09 0.00 0.00 42.92 40.59 1m9w s ASP 49 CO 0.00 -0.52 1.40 0.00 0.70 0.00 0.00 175.17 176.74 1m9w n ALA 50 N -1.88 5.40 -0.18 2.11 0.00 -1.26 -4.90 120.51 119.80 1m9w n ALA 50 Ca -0.01 -4.65 -0.01 0.00 0.00 0.00 0.00 53.44 48.78 1m9w n ALA 50 Cb 0.57 -1.45 0.09 0.00 0.00 0.00 0.00 19.45 18.66 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 3.57 -0.11 0.03 0.00 2.03 -1.96 -0.08 116.42 119.90 1m9w h ASP 51 Ca 0.34 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1m9w h ASP 51 Cb 0.41 0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1m9w h ASP 51 CO 1.00 -0.04 0.00 1.07 -1.03 0.00 0.00 179.24 180.25 1m9w n THR 52 N -5.19 1.40 0.06 1.15 5.66 -1.26 -0.83 114.28 115.29 1m9w n THR 52 Ca 0.07 0.35 0.01 0.00 -3.05 0.00 0.00 64.05 61.43 1m9w n THR 52 Cb 0.30 -1.33 0.01 0.00 -1.55 0.00 0.00 70.33 67.76 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 -1.36 2.50 -1.38 1.79 0.00 -0.08 -4.78 120.51 117.20 1m9w n ALA 53 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 53.44 52.95 1m9w n ALA 53 Cb 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 0.09 1.83 -2.14 0.00 0.00 -0.01 -5.05 120.51 115.23 1m9w n ALA 54 Ca 0.01 -1.22 -0.09 0.00 0.00 0.00 0.00 53.44 52.14 1m9w n ALA 54 Cb 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.69 0.76 1.07 0.00 -2.85 -0.92 -4.86 119.74 112.26 1m9w s LYS 55 Ca 0.07 -1.30 -0.12 0.00 -1.00 0.00 0.00 55.97 53.62 1m9w s LYS 55 Cb 0.06 -0.03 0.23 0.00 -2.06 0.00 0.00 37.83 36.02 1m9w s LYS 55 CO 0.01 -0.07 1.07 -0.51 0.10 0.00 0.00 175.35 175.95 1m9w s LEU 56 N -3.00 1.61 0.00 2.77 1.43 0.14 -4.86 118.68 116.77 1m9w s LEU 56 Ca 0.11 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1m9w s LEU 56 Cb 0.06 -3.87 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 1m9w s LEU 56 CO -0.06 -3.79 1.63 -1.20 0.23 0.00 0.00 176.35 173.15 1m9w n SER 57 N -4.66 3.14 0.00 2.29 7.64 -1.26 -4.79 113.62 115.97 1m9w n SER 57 Ca 0.06 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1m9w n SER 57 Cb 0.53 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 2.08 0.00 0.35 1.43 8.25 -1.26 -0.80 115.22 125.27 1m9w n HIS 58 Ca 0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.67 1m9w n HIS 58 Cb 0.39 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1m9w n HIS 58 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1m9w n LYS 59 N 0.00 0.43 -2.58 -0.41 3.00 -1.26 -4.69 118.16 112.65 1m9w n LYS 59 Ca 0.00 -0.03 -0.40 0.00 -0.00 0.00 0.00 58.31 57.88 1m9w n LYS 59 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 35.03 33.36 1m9w n LYS 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1m9w s GLY 60 N -3.99 3.07 0.35 3.14 0.00 0.02 -5.02 107.32 104.88 1m9w s GLY 60 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 44.72 45.38 1m9w s GLY 60 CO 0.83 1.40 0.67 0.48 0.00 0.00 0.00 173.10 176.48 1m9w s LEU 61 N -1.22 0.26 -0.72 0.66 2.34 -1.26 -4.08 118.68 114.65 1m9w s LEU 61 Ca 0.44 -1.15 -0.18 0.00 0.06 0.00 0.00 54.13 53.31 1m9w s LEU 61 Cb -0.29 2.37 0.14 0.00 -0.56 0.00 0.00 46.19 47.85 1m9w s LEU 61 CO 0.37 -1.49 0.81 0.00 -1.06 0.00 0.00 176.35 174.98 1m9w s ALA 62 N -2.87 3.57 -0.09 1.48 0.00 0.15 -4.90 121.76 119.10 1m9w s ALA 62 Ca 0.19 -2.62 0.15 0.00 0.00 0.00 0.00 51.96 49.68 1m9w s ALA 62 Cb -0.04 -3.64 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 1m9w s ALA 62 CO 0.13 -2.47 0.88 0.27 0.00 0.00 0.00 175.76 174.57 1m9w h PHE 63 N 8.76 0.00 0.00 0.00 -0.00 -1.95 0.59 116.94 124.35 1m9w h PHE 63 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.87 1m9w h PHE 63 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.01 1m9w h PHE 63 CO 0.96 0.70 0.00 0.00 -0.00 0.00 0.00 178.31 179.97 1m9w n ALA 64 N -2.41 0.00 -3.67 12.09 0.00 -1.26 -4.49 120.51 120.77 1m9w n ALA 64 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1m9w n ALA 64 Cb 0.89 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.20 1m9w n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9w s ALA 65 N -3.18 -0.45 0.00 0.00 0.00 -1.26 -4.69 121.76 112.18 1m9w s ALA 65 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1m9w s ALA 65 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1m9w s ALA 65 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1m9w n GLY 66 N 5.24 1.52 3.73 0.00 0.00 -0.59 -5.01 105.19 110.08 1m9w n GLY 66 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.34 1.63 0.16 1.61 8.01 -1.26 -4.66 118.70 123.85 1m9w s GLU 67 Ca 0.00 1.12 -0.23 0.00 0.01 0.00 0.00 54.97 55.87 1m9w s GLU 67 Cb 0.00 -1.83 0.06 0.00 -4.31 0.00 0.00 34.13 28.05 1m9w s GLU 67 CO 0.00 -2.07 0.69 -1.54 0.01 0.00 0.00 175.26 172.35 1m9w s SER 68 N -3.24 -0.45 -0.06 -0.19 1.04 -1.26 -0.31 113.70 109.22 1m9w s SER 68 Ca 0.63 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.84 1m9w s SER 68 Cb -0.19 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1m9w s SER 68 CO 0.57 -1.00 0.17 0.72 0.98 0.00 0.00 173.24 174.68 1m9w s PHE 69 N -3.67 -0.19 -0.08 5.02 -0.71 -0.31 -5.00 117.98 113.04 1m9w s PHE 69 Ca 0.04 0.46 -0.01 0.00 -1.04 0.00 0.00 56.93 56.39 1m9w s PHE 69 Cb -0.02 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1m9w s PHE 69 CO -0.07 -0.09 -0.02 -0.08 -1.34 0.00 0.00 175.22 173.61 1m9w s THR 70 N 0.12 4.08 -0.12 -4.49 -1.32 -1.26 -2.95 115.64 109.69 1m9w s THR 70 Ca -0.00 -0.33 0.03 0.00 -1.21 0.00 0.00 61.69 60.17 1m9w s THR 70 Cb -0.01 -2.70 0.01 0.00 -1.51 0.00 0.00 72.50 68.28 1m9w s THR 70 CO 0.00 0.60 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.87 1m9w s SER 71 N -0.80 2.89 -0.31 8.08 1.04 -0.23 -5.00 113.70 119.37 1m9w s SER 71 Ca 0.12 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.02 1m9w s SER 71 Cb -0.11 -1.33 0.09 0.00 0.10 0.00 0.00 66.02 64.78 1m9w s SER 71 CO 0.02 0.07 0.07 -0.89 0.98 0.00 0.00 173.24 173.49 1m9w s THR 72 N 0.79 1.38 -0.05 2.02 2.01 -1.26 -0.16 115.64 120.37 1m9w s THR 72 Ca -0.09 -1.66 0.05 0.00 0.31 0.00 0.00 61.69 60.30 1m9w s THR 72 Cb -0.16 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1m9w s THR 72 CO -0.00 -0.58 -0.19 0.72 -0.69 0.00 0.00 174.62 173.88 1m9w s PHE 73 N 1.38 2.56 -0.21 4.92 -0.12 -1.01 -4.96 117.98 120.54 1m9w s PHE 73 Ca 0.08 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.65 1m9w s PHE 73 Cb -0.18 -1.60 0.04 0.00 -0.63 0.00 0.00 43.02 40.66 1m9w s PHE 73 CO -0.17 0.05 0.88 -2.37 -0.05 0.00 0.00 175.22 173.56 1m9w n THR 74 N 2.50 0.65 -3.53 -4.49 5.66 -1.26 -2.07 114.28 111.73 1m9w n THR 74 Ca -0.17 -0.83 -0.41 0.00 -3.05 0.00 0.00 64.05 59.59 1m9w n THR 74 Cb 0.52 0.69 -0.07 0.00 -1.55 0.00 0.00 70.33 69.92 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 -0.72 2.81 -0.05 1.09 1.03 -1.26 -4.32 118.70 117.28 1m9w s GLU 75 Ca 0.04 -2.15 -0.33 0.00 0.03 0.00 0.00 54.97 52.55 1m9w s GLU 75 Cb 0.02 -4.02 -0.11 0.00 -0.80 0.00 0.00 34.13 29.22 1m9w s GLU 75 CO 0.03 -1.22 1.90 -0.35 -1.33 0.00 0.00 175.26 174.29 1m9w n PRO 76 N 4.29 2.35 0.00 -4.83 -0.04 -1.25 -4.52 135.00 131.00 1m9w n PRO 76 Ca 0.02 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1m9w n PRO 76 Cb 0.41 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.42 0.00 2.81 0.55 0.00 -1.26 -4.99 105.19 106.72 1m9w n GLY 77 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 1m9w n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1m9w n THR 78 N 0.00 -9.16 -3.96 2.61 5.66 -1.26 -4.95 114.28 103.21 1m9w n THR 78 Ca 0.00 1.70 -0.31 0.00 -3.05 0.00 0.00 64.05 62.39 1m9w n THR 78 Cb 0.00 -5.54 -0.05 0.00 -1.55 0.00 0.00 70.33 63.19 1m9w n THR 78 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1m9w s TYR 79 N -0.97 3.41 0.29 1.09 1.13 -1.12 -4.78 117.35 116.40 1m9w s TYR 79 Ca -0.10 0.20 -0.05 0.00 -1.41 0.00 0.00 57.07 55.71 1m9w s TYR 79 Cb 0.01 -1.72 -0.05 0.00 -1.10 0.00 0.00 41.96 39.09 1m9w s TYR 79 CO 0.55 0.57 0.55 0.99 -2.51 0.00 0.00 175.55 175.71 1m9w s THR 80 N -1.45 5.02 0.28 -3.49 2.01 -1.26 -0.72 115.64 116.03 1m9w s THR 80 Ca 0.32 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.24 1m9w s THR 80 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1m9w s THR 80 CO 0.25 -0.31 0.61 -0.72 -0.69 0.00 0.00 174.62 173.76 1m9w s TYR 81 N -2.07 0.16 0.04 4.92 1.13 -0.52 -0.25 117.35 120.76 1m9w s TYR 81 Ca 0.44 -0.59 -0.03 0.00 -1.41 0.00 0.00 57.07 55.48 1m9w s TYR 81 Cb -0.11 0.46 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1m9w s TYR 81 CO 0.29 -1.17 0.13 2.48 -2.51 0.00 0.00 175.55 174.78 1m9w n TYR 82 N -0.44 -0.89 -4.03 -3.49 4.11 0.20 -0.43 117.16 112.19 1m9w n TYR 82 Ca -0.03 -0.21 -0.31 0.00 -0.00 0.00 0.00 57.90 57.34 1m9w n TYR 82 Cb 0.60 0.11 -0.16 0.00 -0.00 0.00 0.00 39.34 39.89 1m9w n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1m9w h GLU 84 N 7.90 -0.00 0.00 0.00 4.39 -1.83 -0.22 114.58 124.82 1m9w h GLU 84 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1m9w h GLU 84 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1m9w h GLU 84 CO 0.48 -0.00 0.00 -0.35 -1.16 0.00 0.00 179.01 177.98 1m9w n PRO 85 N -5.59 0.86 -0.01 2.33 -0.04 -1.26 -3.97 135.00 127.33 1m9w n PRO 85 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1m9w n PRO 85 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.01 0.00 -0.28 0.54 8.25 -0.21 -4.94 115.22 117.57 1m9w n HIS 86 Ca 0.21 -0.06 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1m9w n HIS 86 Cb 0.10 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.30 1m9w n HIS 86 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1m9w h ARG 87 N 0.00 -0.01 -0.00 -0.41 0.11 -1.37 -0.88 114.38 111.81 1m9w h ARG 87 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1m9w h ARG 87 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1m9w h ARG 87 CO 0.00 -0.01 -0.09 0.41 0.10 0.00 0.00 179.97 180.38 1m9w n GLY 88 N -1.52 -1.37 0.08 0.08 0.00 -1.26 -3.13 105.19 98.06 1m9w n GLY 88 Ca 0.11 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.42 4.00 0.00 4.61 0.00 -0.39 -4.98 120.51 122.33 1m9w n ALA 89 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1m9w n ALA 89 Cb 0.32 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.48 1.08 2.51 0.00 0.00 -0.98 -4.96 105.19 104.32 1m9w n GLY 90 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.16 3.68 -4.25 1.61 0.00 -0.89 -4.84 117.12 111.27 1m9w n MET 91 Ca 0.00 -2.70 -0.18 0.00 -0.00 0.00 0.00 57.70 54.82 1m9w n MET 91 Cb 0.00 -2.90 -0.13 0.00 0.00 0.00 0.00 33.22 30.19 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 1.53 0.85 0.27 1.12 0.11 -1.26 -0.59 120.40 122.43 1m9w s VAL 92 Ca 0.58 -0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 58.65 1m9w s VAL 92 Cb 0.16 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1m9w s VAL 92 CO -0.07 -0.07 0.53 0.61 -3.33 0.00 0.00 175.10 172.77 1m9w n GLY 93 N 1.98 1.37 3.30 6.54 0.00 0.43 -4.95 105.19 113.85 1m9w n GLY 93 Ca -0.18 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.09 1.43 0.02 1.61 2.20 -1.16 -1.44 119.74 120.30 1m9w s LYS 94 Ca 0.11 -1.78 -0.02 0.00 -0.36 0.00 0.00 55.97 53.92 1m9w s LYS 94 Cb -0.03 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 1m9w s LYS 94 CO 0.09 -0.37 0.01 0.08 -0.36 0.00 0.00 175.35 174.80 1m9w s VAL 95 N -3.79 0.11 -0.24 4.02 1.01 0.10 -3.71 120.40 117.89 1m9w s VAL 95 Ca 0.37 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1m9w s VAL 95 Cb 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 36.11 1m9w s VAL 95 CO 0.15 -0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 173.96 1m9w s VAL 96 N -1.62 1.89 -0.62 2.92 1.01 0.02 -2.81 120.40 121.19 1m9w s VAL 96 Ca -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.44 1m9w s VAL 96 Cb -0.08 -2.05 0.38 0.00 0.00 0.00 0.00 36.38 34.62 1m9w s VAL 96 CO -0.01 -0.03 1.33 1.33 0.00 0.00 0.00 175.10 177.71 1m9w n VAL 97 N 4.54 3.21 -1.64 2.92 0.24 -1.24 -0.52 118.33 125.84 1m9w n VAL 97 Ca -0.13 -5.10 0.00 0.00 -2.04 0.00 0.00 64.34 57.07 1m9w n VAL 97 Cb 0.43 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 1m9w n VAL 97 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85