#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 0.00 -3.65 0.00 4.13 -1.26 -4.93 115.26 109.55 1m9w n ASN 2 Ca 0.00 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.01 1m9w n ASN 2 Cb 0.00 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.41 1m9w n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1m9w n ALA 3 N 0.12 -1.27 -3.65 5.41 0.00 0.21 -4.92 120.51 116.42 1m9w n ALA 3 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 53.44 51.93 1m9w n ALA 3 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 1m9w n ALA 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1m9w s THR 4 N -3.46 -0.97 0.24 0.00 2.01 -1.26 -1.70 115.64 110.51 1m9w s THR 4 Ca 0.64 0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.76 1m9w s THR 4 Cb -0.02 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1m9w s THR 4 CO 0.45 0.00 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 1m9w s VAL 5 N 2.87 2.15 -0.30 3.82 1.01 -1.26 -4.44 120.40 124.25 1m9w s VAL 5 Ca -0.06 -2.31 -0.05 0.00 0.00 0.00 0.00 61.98 59.57 1m9w s VAL 5 Cb -0.12 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1m9w s VAL 5 CO -0.19 -0.48 0.04 -0.54 0.00 0.00 0.00 175.10 173.94 1m9w s LYS 6 N -3.53 2.73 -0.27 2.72 1.02 0.69 -0.94 119.74 122.15 1m9w s LYS 6 Ca 0.26 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 1m9w s LYS 6 Cb -0.03 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1m9w s LYS 6 CO 0.11 -0.55 1.37 -1.64 -0.92 0.00 0.00 175.35 173.72 1m9w s MET 7 N 1.38 3.92 0.00 1.68 -1.94 0.11 -0.16 119.30 124.29 1m9w s MET 7 Ca -0.01 1.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.35 1m9w s MET 7 Cb -0.18 -3.90 0.00 0.00 2.01 0.00 0.00 34.83 32.75 1m9w s MET 7 CO 0.00 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.31 1m9w n GLY 8 N 4.32 -0.61 3.60 -0.03 0.00 -1.01 0.55 105.19 112.00 1m9w n GLY 8 Ca 0.15 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 0.68 0.26 1.61 2.88 0.30 -1.64 113.62 117.70 1m9w n SER 9 Ca 0.00 0.83 0.18 0.00 -1.33 0.00 0.00 58.87 58.55 1m9w n SER 9 Cb 0.00 -1.36 0.88 0.00 -0.75 0.00 0.00 64.21 62.97 1m9w n SER 9 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1m9w h ASP 10 N 0.64 0.00 0.96 -3.46 1.82 -1.91 0.26 116.42 114.73 1m9w h ASP 10 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1m9w h ASP 10 Cb 1.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1m9w h ASP 10 CO 0.51 0.00 0.00 -1.54 -1.61 0.00 0.00 179.24 176.60 1m9w n SER 11 N -3.34 0.43 -1.42 2.28 3.41 -1.26 -4.92 113.62 108.80 1m9w n SER 11 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1m9w n SER 11 Cb 0.35 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.70 0.17 2.85 5.00 0.00 0.90 -5.09 105.19 109.73 1m9w n GLY 12 Ca 0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.95 -0.03 -0.47 4.61 0.00 -1.22 -4.90 121.76 116.80 1m9w s ALA 13 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1m9w s ALA 13 Cb 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 23.12 22.70 1m9w s ALA 13 CO 0.00 -0.07 1.79 1.47 0.00 0.00 0.00 175.76 178.96 1m9w n LEU 14 N 3.65 2.81 -3.67 0.00 -0.00 -1.26 -0.93 117.00 117.59 1m9w n LEU 14 Ca -0.20 -2.33 -0.10 0.00 -0.00 0.00 0.00 56.01 53.37 1m9w n LEU 14 Cb 0.55 -0.88 -0.09 0.00 -0.00 0.00 0.00 43.42 43.00 1m9w n LEU 14 CO 0.23 -1.08 0.21 0.54 -0.00 0.00 0.00 177.39 177.29 1m9w s VAL 15 N 6.04 -0.01 0.32 1.47 0.11 -1.26 -3.38 120.40 123.69 1m9w s VAL 15 Ca 0.62 0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 59.47 1m9w s VAL 15 Cb 0.14 -0.79 -0.10 0.00 -1.53 0.00 0.00 36.38 34.11 1m9w s VAL 15 CO 0.21 0.01 0.90 0.72 -3.33 0.00 0.00 175.10 173.62 1m9w s PHE 16 N 1.08 3.61 -0.26 1.54 -0.12 -1.26 -0.54 117.98 122.04 1m9w s PHE 16 Ca -0.06 1.67 -0.03 0.00 -0.05 0.00 0.00 56.93 58.46 1m9w s PHE 16 Cb -0.06 -2.85 0.09 0.00 -0.63 0.00 0.00 43.02 39.57 1m9w s PHE 16 CO -0.10 0.17 0.10 -1.83 -0.05 0.00 0.00 175.22 173.51 1m9w s GLU 17 N -2.26 0.38 0.03 1.99 -1.05 0.77 -1.41 118.70 117.16 1m9w s GLU 17 Ca 0.51 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 54.45 1m9w s GLU 17 Cb -0.16 -1.63 -0.06 0.00 -0.44 0.00 0.00 34.13 31.84 1m9w s GLU 17 CO 0.21 -0.90 1.39 -2.14 0.95 0.00 0.00 175.26 174.78 1m9w s PRO 18 N 1.94 4.30 0.09 -4.83 0.02 -1.26 -0.22 135.00 135.03 1m9w s PRO 18 Ca 0.06 1.98 0.28 0.00 0.02 0.00 0.00 61.00 63.35 1m9w s PRO 18 Cb -0.16 -3.49 1.03 0.00 0.02 0.00 0.00 34.50 31.90 1m9w s PRO 18 CO -0.25 -0.53 1.84 -1.13 -0.33 0.00 0.00 177.00 176.60 1m9w n SER 19 N 4.96 0.35 -3.66 2.53 3.41 -0.50 -4.61 113.62 116.10 1m9w n SER 19 Ca 0.13 0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 59.13 1m9w n SER 19 Cb 0.43 -0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 1m9w n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1m9w s THR 20 N -3.04 -0.55 0.07 6.66 2.01 -1.26 -2.73 115.64 116.80 1m9w s THR 20 Ca 0.12 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1m9w s THR 20 Cb 0.16 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1m9w s THR 20 CO 0.57 0.09 -0.06 0.54 -0.69 0.00 0.00 174.62 175.06 1m9w s VAL 21 N 2.50 0.54 -0.23 3.82 0.11 -1.23 -5.03 120.40 120.87 1m9w s VAL 21 Ca -0.01 -1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 57.37 1m9w s VAL 21 Cb -0.12 -1.32 0.07 0.00 -1.53 0.00 0.00 36.38 33.48 1m9w s VAL 21 CO -0.11 -0.76 0.03 0.28 -3.33 0.00 0.00 175.10 171.21 1m9w s THR 22 N -3.02 0.86 0.26 5.04 -1.32 -1.26 -0.83 115.64 115.38 1m9w s THR 22 Ca 0.04 -0.94 0.02 0.00 -1.21 0.00 0.00 61.69 59.60 1m9w s THR 22 Cb 0.01 -1.39 -0.01 0.00 -1.51 0.00 0.00 72.50 69.61 1m9w s THR 22 CO -0.04 -0.31 0.07 2.30 -2.21 0.00 0.00 174.62 174.43 1m9w n ILE 23 N 4.90 0.00 -4.35 5.08 -6.64 -0.73 -4.46 119.36 113.16 1m9w n ILE 23 Ca -0.08 -1.47 -0.18 0.00 -1.77 0.00 0.00 62.75 59.25 1m9w n ILE 23 Cb 0.45 0.48 -0.10 0.00 -1.44 0.00 0.00 39.64 39.03 1m9w n ILE 23 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1m9w s LYS 24 N -3.00 1.54 -0.43 6.28 -2.85 -1.26 -1.00 119.74 119.02 1m9w s LYS 24 Ca 0.10 -1.86 -0.41 0.00 -1.00 0.00 0.00 55.97 52.80 1m9w s LYS 24 Cb 0.00 -0.29 -0.16 0.00 -2.06 0.00 0.00 37.83 35.32 1m9w s LYS 24 CO 0.07 -0.36 2.06 0.00 0.10 0.00 0.00 175.35 177.23 1m9w n ALA 25 N -0.56 0.29 0.00 0.59 0.00 -1.26 -0.62 120.51 118.94 1m9w n ALA 25 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1m9w n ALA 25 Cb 0.66 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 6.55 1.38 3.87 0.00 0.00 -0.12 -4.94 105.19 111.94 1m9w n GLY 26 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 1m9w n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m9w s GLU 27 N -0.98 3.12 0.50 1.61 2.02 0.21 -4.83 118.70 120.34 1m9w s GLU 27 Ca 0.00 0.59 0.02 0.00 0.02 0.00 0.00 54.97 55.60 1m9w s GLU 27 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1m9w s GLU 27 CO 0.00 -0.88 0.00 -1.83 0.02 0.00 0.00 175.26 172.57 1m9w s GLU 28 N -5.27 2.17 -0.27 1.61 1.03 -1.26 -3.17 118.70 113.53 1m9w s GLU 28 Ca 0.57 -2.37 -0.03 0.00 0.03 0.00 0.00 54.97 53.16 1m9w s GLU 28 Cb -0.11 -1.53 0.09 0.00 -0.80 0.00 0.00 34.13 31.78 1m9w s GLU 28 CO 0.53 -0.33 0.11 0.08 -1.33 0.00 0.00 175.26 174.32 1m9w s VAL 29 N -2.86 0.17 -1.20 1.83 1.01 -0.99 -0.62 120.40 117.73 1m9w s VAL 29 Ca 0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1m9w s VAL 29 Cb 0.02 -1.08 0.22 0.00 0.00 0.00 0.00 36.38 35.54 1m9w s VAL 29 CO 0.04 -0.64 1.87 2.29 0.00 0.00 0.00 175.10 178.67 1m9w n LYS 30 N 5.16 4.31 -2.47 2.72 2.85 -0.69 -2.20 118.16 127.83 1m9w n LYS 30 Ca -0.05 -3.94 -0.41 0.00 -1.05 0.00 0.00 58.31 52.86 1m9w n LYS 30 Cb 0.43 -2.69 -0.04 0.00 -0.65 0.00 0.00 35.03 32.08 1m9w n LYS 30 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 177.40 179.02 1m9w s TRP 31 N -1.43 3.57 0.15 5.58 -2.14 -1.23 -4.09 118.94 119.35 1m9w s TRP 31 Ca 0.40 1.64 0.10 0.00 2.66 0.00 0.00 56.10 60.91 1m9w s TRP 31 Cb 0.11 -3.30 -0.04 0.00 -3.10 0.00 0.00 33.47 27.15 1m9w s TRP 31 CO -0.00 -0.64 -0.22 0.08 -2.66 0.00 0.00 176.95 173.51 1m9w s VAL 32 N -0.80 2.56 -0.26 -0.66 1.01 -0.12 -1.38 120.40 120.74 1m9w s VAL 32 Ca 0.47 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 1m9w s VAL 32 Cb -0.31 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1m9w s VAL 32 CO 0.39 0.02 1.47 0.21 0.00 0.00 0.00 175.10 177.19 1m9w s ASN 33 N -2.33 6.50 -0.14 3.32 3.84 -1.26 0.08 114.94 124.96 1m9w s ASN 33 Ca 0.18 1.41 -0.00 0.00 0.21 0.00 0.00 52.86 54.66 1m9w s ASN 33 Cb -0.09 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 37.99 1m9w s ASN 33 CO 0.09 -1.19 -0.13 -3.20 -2.79 0.00 0.00 177.10 169.89 1m9w n ASN 34 N 8.10 2.66 -3.57 -4.21 5.15 0.19 -0.29 115.26 123.29 1m9w n ASN 34 Ca 0.17 -0.03 -0.09 0.00 -0.60 0.00 0.00 54.58 54.02 1m9w n ASN 34 Cb 0.46 -0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.42 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 -2.27 0.58 -0.93 1.20 2.20 -0.65 -4.84 119.74 115.03 1m9w s LYS 35 Ca -0.18 0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1m9w s LYS 35 Cb 0.05 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1m9w s LYS 35 CO 0.30 -0.20 0.80 -0.11 -0.36 0.00 0.00 175.35 175.78 1m9w n LEU 36 N 0.47 -4.66 -4.71 5.43 7.94 -1.26 -4.15 117.00 116.06 1m9w n LEU 36 Ca -0.08 -0.58 -0.34 0.00 -1.11 0.00 0.00 56.01 53.90 1m9w n LEU 36 Cb 0.59 -2.77 0.11 0.00 0.53 0.00 0.00 43.42 41.87 1m9w n LEU 36 CO 0.14 0.16 0.81 -0.44 -1.11 0.00 0.00 177.39 176.95 1m9w s SER 37 N -3.59 3.96 0.85 1.96 0.01 -1.26 -4.73 113.70 110.91 1m9w s SER 37 Ca 0.27 2.43 -0.13 0.00 1.31 0.00 0.00 55.95 59.83 1m9w s SER 37 Cb -0.03 -2.60 0.11 0.00 0.21 0.00 0.00 66.02 63.71 1m9w s SER 37 CO 0.62 -2.42 1.20 -2.16 0.41 0.00 0.00 173.24 170.89 1m9w s PRO 38 N -3.90 1.60 0.19 12.44 0.04 -1.26 -5.03 135.00 139.07 1m9w s PRO 38 Ca 0.76 0.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 1m9w s PRO 38 Cb -0.31 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1m9w s PRO 38 CO 0.47 -1.83 0.56 -3.38 0.04 0.00 0.00 177.00 172.86 1m9w s HIS 39 N -3.60 -0.29 0.24 0.56 -3.43 0.75 -4.97 115.29 104.56 1m9w s HIS 39 Ca 0.64 -0.02 -0.14 0.00 -0.80 0.00 0.00 55.06 54.75 1m9w s HIS 39 Cb -0.10 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 1m9w s HIS 39 CO 0.50 -0.91 0.51 1.21 -2.00 0.00 0.00 174.74 174.05 1m9w s ASN 40 N -2.83 -0.12 -0.50 7.38 2.47 -1.26 0.55 114.94 120.62 1m9w s ASN 40 Ca 0.06 -0.84 0.04 0.00 0.42 0.00 0.00 52.86 52.53 1m9w s ASN 40 Cb -0.01 0.60 0.16 0.00 -1.45 0.00 0.00 41.25 40.54 1m9w s ASN 40 CO -0.06 -1.15 0.35 -0.63 -3.72 0.00 0.00 177.10 171.89 1m9w s ILE 41 N -3.99 1.40 -0.30 -5.21 -1.09 -1.26 -4.03 121.20 106.73 1m9w s ILE 41 Ca 0.19 -3.06 -0.02 0.00 -2.23 0.00 0.00 60.65 55.53 1m9w s ILE 41 Cb -0.01 -1.95 0.05 0.00 -1.58 0.00 0.00 42.46 38.96 1m9w s ILE 41 CO 0.07 -1.06 -0.00 0.68 -1.23 0.00 0.00 174.94 173.40 1m9w s VAL 42 N -0.25 3.03 0.95 2.92 -7.23 -0.02 0.05 120.40 119.84 1m9w s VAL 42 Ca 0.25 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 1m9w s VAL 42 Cb -0.08 -2.71 0.16 0.00 0.56 0.00 0.00 36.38 34.31 1m9w s VAL 42 CO -0.12 -0.07 1.09 -0.36 -0.31 0.00 0.00 175.10 175.33 1m9w s PHE 43 N 1.27 2.16 -0.08 2.82 0.40 -1.26 -1.31 117.98 121.98 1m9w s PHE 43 Ca -0.04 1.16 0.22 0.00 -0.60 0.00 0.00 56.93 57.66 1m9w s PHE 43 Cb -0.19 -3.20 -0.26 0.00 0.51 0.00 0.00 43.02 39.88 1m9w s PHE 43 CO -0.01 -2.69 0.60 0.00 0.70 0.00 0.00 175.22 173.82 1m9w n ALA 44 N -4.07 2.71 -1.51 5.36 0.00 0.46 -4.87 120.51 118.60 1m9w n ALA 44 Ca 0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 1m9w n ALA 44 Cb 0.56 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.25 -1.52 0.26 0.00 0.00 -1.26 -4.98 120.51 110.75 1m9w n ALA 45 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.55 1m9w n ALA 45 Cb 0.58 -0.01 0.74 0.00 0.00 0.00 0.00 19.45 20.76 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 0.00 0.00 0.00 0.00 5.19 -1.91 -3.46 116.42 116.24 1m9w h ASP 46 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1m9w h ASP 46 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1m9w h ASP 46 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1m9w n GLY 47 N -0.91 0.86 0.00 2.75 0.00 -1.26 -4.90 105.19 101.73 1m9w n GLY 47 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.79 0.00 -2.60 1.61 3.14 -1.26 -5.11 118.33 113.32 1m9w n VAL 48 Ca 0.00 -0.12 -0.23 0.00 -2.96 0.00 0.00 64.34 61.04 1m9w n VAL 48 Cb 0.00 0.77 0.12 0.00 -1.06 0.00 0.00 33.84 33.66 1m9w n VAL 48 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1m9w n ASP 49 N -0.37 1.32 -3.23 6.55 5.75 -1.26 -4.88 116.55 120.43 1m9w n ASP 49 Ca 0.00 -2.11 -0.24 0.00 -0.01 0.00 0.00 54.79 52.43 1m9w n ASP 49 Cb 0.00 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 39.40 1m9w n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m9w n ALA 50 N -2.91 3.16 -0.01 2.12 0.00 -1.26 -4.92 120.51 116.69 1m9w n ALA 50 Ca -0.16 -4.00 -0.10 0.00 0.00 0.00 0.00 53.44 49.18 1m9w n ALA 50 Cb 0.58 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 3.75 -0.91 0.00 0.00 2.03 -1.97 -0.68 116.42 118.64 1m9w h ASP 51 Ca 0.12 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1m9w h ASP 51 Cb 0.78 0.40 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1m9w h ASP 51 CO 0.63 -0.33 0.00 1.07 -1.03 0.00 0.00 179.24 179.58 1m9w n THR 52 N -5.40 1.42 0.22 1.15 5.66 -1.26 -1.03 114.28 115.05 1m9w n THR 52 Ca -0.03 0.36 0.03 0.00 -3.05 0.00 0.00 64.05 61.36 1m9w n THR 52 Cb 0.31 -1.35 0.04 0.00 -1.55 0.00 0.00 70.33 67.78 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 2.44 -0.99 1.79 0.00 -0.29 -4.78 120.51 117.32 1m9w n ALA 53 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1m9w n ALA 53 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 0.34 0.38 -2.53 0.00 0.00 -0.20 -4.85 120.51 113.65 1m9w n ALA 54 Ca 0.04 -0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1m9w n ALA 54 Cb 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.00 1.92 0.80 0.00 -2.85 -0.80 -4.44 119.74 114.37 1m9w s LYS 55 Ca 0.00 -1.81 -0.12 0.00 -1.00 0.00 0.00 55.97 53.05 1m9w s LYS 55 Cb 0.00 -1.83 0.07 0.00 -2.06 0.00 0.00 37.83 34.02 1m9w s LYS 55 CO 0.00 0.19 1.10 -0.51 0.10 0.00 0.00 175.35 176.23 1m9w s LEU 56 N -3.63 2.55 0.61 2.77 1.43 0.11 -4.96 118.68 117.56 1m9w s LEU 56 Ca 0.33 1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 54.48 1m9w s LEU 56 Cb -0.00 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1m9w s LEU 56 CO 0.17 -1.99 1.22 -0.55 0.23 0.00 0.00 176.35 175.44 1m9w s SER 57 N -3.97 5.02 0.60 2.29 0.15 -1.26 -4.63 113.70 111.89 1m9w s SER 57 Ca 0.61 2.41 0.38 0.00 0.70 0.00 0.00 55.95 60.05 1m9w s SER 57 Cb -0.14 -2.60 1.84 0.00 -1.71 0.00 0.00 66.02 63.41 1m9w s SER 57 CO 0.54 -1.71 2.16 0.45 1.20 0.00 0.00 173.24 175.88 1m9w h HIS 58 N 0.71 0.00 0.00 3.44 3.86 -1.96 -2.70 115.15 118.51 1m9w h HIS 58 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1m9w h HIS 58 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 1m9w h HIS 58 CO 0.46 0.01 -0.90 1.17 0.86 0.00 0.00 177.93 179.53 1m9w n LYS 59 N -3.13 2.23 -2.62 2.45 3.00 -1.26 -4.87 118.16 113.96 1m9w n LYS 59 Ca -0.01 -0.04 -0.32 0.00 -0.00 0.00 0.00 58.31 57.94 1m9w n LYS 59 Cb 0.20 -1.06 -0.04 0.00 0.00 0.00 0.00 35.03 34.13 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 -2.41 2.12 0.37 3.14 0.00 -1.02 -5.07 107.32 104.45 1m9w s GLY 60 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 1m9w s GLY 60 CO 0.36 0.39 0.78 0.48 0.00 0.00 0.00 173.10 175.11 1m9w s LEU 61 N -3.79 -0.04 -0.54 0.66 2.34 -1.26 -4.44 118.68 111.61 1m9w s LEU 61 Ca 0.58 -1.05 -0.07 0.00 0.06 0.00 0.00 54.13 53.64 1m9w s LEU 61 Cb -0.10 2.83 0.14 0.00 -0.56 0.00 0.00 46.19 48.50 1m9w s LEU 61 CO 0.27 -1.63 0.39 0.00 -1.06 0.00 0.00 176.35 174.32 1m9w s ALA 62 N -2.57 3.48 -1.88 1.48 0.00 0.19 -4.95 121.76 117.50 1m9w s ALA 62 Ca 0.15 -2.82 0.19 0.00 0.00 0.00 0.00 51.96 49.48 1m9w s ALA 62 Cb -0.05 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.32 1m9w s ALA 62 CO 0.11 -1.98 0.99 1.97 0.00 0.00 0.00 175.76 176.84 1m9w n PHE 63 N 4.36 0.00 -3.73 0.00 -1.74 -1.26 -0.18 117.46 114.92 1m9w n PHE 63 Ca -0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.76 1m9w n PHE 63 Cb 0.41 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.28 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 -2.00 -0.55 -0.19 1.98 0.00 -1.26 -4.56 121.76 115.19 1m9w s ALA 64 Ca 0.17 0.99 -0.40 0.00 0.00 0.00 0.00 51.96 52.72 1m9w s ALA 64 Cb 0.15 -0.64 -0.17 0.00 0.00 0.00 0.00 23.12 22.47 1m9w s ALA 64 CO 0.41 -0.21 1.59 0.00 0.00 0.00 0.00 175.76 177.56 1m9w n ALA 65 N 4.26 -0.68 0.00 0.00 0.00 -1.26 -2.71 120.51 120.11 1m9w n ALA 65 Ca -0.25 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1m9w n ALA 65 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 3.60 0.75 0.10 0.00 0.00 0.60 -5.00 105.19 105.25 1m9w n GLY 66 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 1m9w n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1m9w h GLU 67 N 2.80 -0.24 -1.66 1.61 5.08 -1.70 -3.43 114.58 117.05 1m9w h GLU 67 Ca 0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 1m9w h GLU 67 Cb 0.00 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1m9w h GLU 67 CO 0.00 -0.16 -0.41 -1.13 -1.00 0.00 0.00 179.01 176.31 1m9w n SER 68 N -2.98 -4.31 -3.54 1.42 3.41 -1.26 -4.76 113.62 101.60 1m9w n SER 68 Ca -0.03 0.47 -0.15 0.00 -0.26 0.00 0.00 58.87 58.90 1m9w n SER 68 Cb 0.10 -2.29 -0.05 0.00 -0.26 0.00 0.00 64.21 61.70 1m9w n SER 68 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1m9w s PHE 69 N -2.42 -0.53 -0.09 7.33 -0.71 -0.48 -4.91 117.98 116.17 1m9w s PHE 69 Ca 0.00 0.87 -0.01 0.00 -1.04 0.00 0.00 56.93 56.75 1m9w s PHE 69 Cb 0.00 0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1m9w s PHE 69 CO 0.00 -0.52 -0.04 -0.08 -1.34 0.00 0.00 175.22 173.25 1m9w s THR 70 N -1.35 3.97 0.28 -4.49 -1.32 -1.26 -3.46 115.64 108.01 1m9w s THR 70 Ca -0.06 -0.37 0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1m9w s THR 70 Cb -0.00 -2.66 -0.05 0.00 -1.51 0.00 0.00 72.50 68.28 1m9w s THR 70 CO 0.05 0.59 -0.12 -0.94 -2.21 0.00 0.00 174.62 171.99 1m9w s SER 71 N -0.67 3.97 -0.24 8.08 1.04 -0.93 -4.90 113.70 120.05 1m9w s SER 71 Ca 0.10 -0.88 -0.21 0.00 0.48 0.00 0.00 55.95 55.44 1m9w s SER 71 Cb -0.12 -0.52 0.06 0.00 0.10 0.00 0.00 66.02 65.55 1m9w s SER 71 CO 0.02 0.02 0.64 -0.89 0.98 0.00 0.00 173.24 174.01 1m9w s THR 72 N -2.44 -0.00 0.05 2.02 2.01 -1.26 -2.34 115.64 113.68 1m9w s THR 72 Ca 0.31 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 62.09 1m9w s THR 72 Cb -0.05 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.62 1m9w s THR 72 CO 0.17 0.00 0.51 0.72 -0.69 0.00 0.00 174.62 175.33 1m9w s PHE 73 N 0.49 -0.41 -0.00 4.92 -0.12 -1.19 -4.77 117.98 116.90 1m9w s PHE 73 Ca -0.01 0.43 0.09 0.00 -0.05 0.00 0.00 56.93 57.39 1m9w s PHE 73 Cb -0.05 0.34 0.15 0.00 -0.63 0.00 0.00 43.02 42.83 1m9w s PHE 73 CO -0.01 -0.65 1.06 -2.37 -0.05 0.00 0.00 175.22 173.20 1m9w n THR 74 N 0.36 0.02 -3.42 -4.49 5.66 -1.26 -0.95 114.28 110.21 1m9w n THR 74 Ca -0.18 -0.37 -0.44 0.00 -3.05 0.00 0.00 64.05 60.01 1m9w n THR 74 Cb 0.61 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 -0.03 3.57 -0.36 1.09 1.03 -1.26 -4.83 118.70 117.91 1m9w s GLU 75 Ca 0.12 -2.73 -0.39 0.00 0.03 0.00 0.00 54.97 52.00 1m9w s GLU 75 Cb 0.14 -4.31 -0.15 0.00 -0.80 0.00 0.00 34.13 29.01 1m9w s GLU 75 CO -0.06 -1.26 2.00 -0.35 -1.33 0.00 0.00 175.26 174.26 1m9w n PRO 76 N 3.44 0.85 0.00 -4.83 -0.04 -1.26 -4.43 135.00 128.74 1m9w n PRO 76 Ca 0.16 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1m9w n PRO 76 Cb 0.43 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 5.79 -0.52 3.63 0.55 0.00 0.39 -5.02 105.19 110.01 1m9w n GLY 77 Ca 0.38 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.11 -0.11 0.00 2.61 -1.32 -1.26 -0.95 115.64 113.50 1m9w s THR 78 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1m9w s THR 78 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1m9w s THR 78 CO 0.00 0.00 -0.20 -0.72 -2.21 0.00 0.00 174.62 171.49 1m9w s TYR 79 N 1.66 1.80 0.35 9.09 1.13 -0.22 -4.91 117.35 126.25 1m9w s TYR 79 Ca -0.09 -0.35 -0.26 0.00 -1.41 0.00 0.00 57.07 54.97 1m9w s TYR 79 Cb -0.05 -1.13 -0.10 0.00 -1.10 0.00 0.00 41.96 39.58 1m9w s TYR 79 CO -0.18 0.01 1.00 0.99 -2.51 0.00 0.00 175.55 174.86 1m9w s THR 80 N -0.58 3.97 0.16 -3.49 2.01 -1.26 -0.78 115.64 115.66 1m9w s THR 80 Ca 0.08 1.61 -0.09 0.00 0.31 0.00 0.00 61.69 63.60 1m9w s THR 80 Cb -0.08 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1m9w s THR 80 CO 0.00 0.11 0.27 -0.72 -0.69 0.00 0.00 174.62 173.58 1m9w s TYR 81 N -1.60 0.40 0.12 4.92 1.13 -0.69 -0.40 117.35 121.22 1m9w s TYR 81 Ca 0.53 -0.77 -0.25 0.00 -1.41 0.00 0.00 57.07 55.17 1m9w s TYR 81 Cb -0.21 -0.07 0.08 0.00 -1.10 0.00 0.00 41.96 40.66 1m9w s TYR 81 CO 0.27 -0.70 1.10 1.52 -2.51 0.00 0.00 175.55 175.22 1m9w s TYR 82 N -3.96 -0.00 -0.32 -3.49 1.13 -0.43 -0.41 117.35 109.86 1m9w s TYR 82 Ca 0.17 -0.28 -0.07 0.00 -1.41 0.00 0.00 57.07 55.47 1m9w s TYR 82 Cb 0.04 0.64 0.02 0.00 -1.10 0.00 0.00 41.96 41.56 1m9w s TYR 82 CO -0.01 -0.70 0.11 0.00 -2.51 0.00 0.00 175.55 172.45 1m9w n GLU 84 N 4.87 -0.16 0.00 0.00 -0.58 -1.26 -0.85 120.64 122.66 1m9w n GLU 84 Ca -0.13 0.97 0.04 0.00 -0.42 0.00 0.00 57.16 57.62 1m9w n GLU 84 Cb 0.46 -1.45 0.22 0.00 -0.57 0.00 0.00 31.44 30.11 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 -3.78 0.19 -0.04 3.49 -0.04 -1.26 -2.94 135.00 130.62 1m9w n PRO 85 Ca 0.01 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1m9w n PRO 85 Cb 0.09 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.13 0.00 0.20 0.54 8.25 -0.03 -4.86 115.22 118.19 1m9w n HIS 86 Ca 0.05 -0.22 0.09 0.00 -0.26 0.00 0.00 57.72 57.39 1m9w n HIS 86 Cb 0.04 -0.03 0.47 0.00 1.12 0.00 0.00 29.99 31.59 1m9w n HIS 86 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1m9w n ARG 87 N -0.24 0.12 0.00 -0.41 0.00 -0.83 -1.29 116.66 114.02 1m9w n ARG 87 Ca 0.01 0.56 0.07 0.00 -0.00 0.00 0.00 57.85 58.48 1m9w n ARG 87 Cb 0.44 -1.85 -0.04 0.00 -0.00 0.00 0.00 32.46 31.01 1m9w n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m9w n GLY 88 N -1.00 -0.17 0.16 2.89 0.00 -1.26 -4.35 105.19 101.45 1m9w n GLY 88 Ca -0.00 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.77 4.31 0.00 4.61 0.00 -0.41 -5.00 120.51 123.24 1m9w n ALA 89 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1m9w n ALA 89 Cb 0.25 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.45 0.83 2.63 0.00 0.00 -0.81 -5.00 105.19 104.29 1m9w n GLY 90 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.12 3.43 -4.10 1.61 0.00 -0.58 -4.82 117.12 111.55 1m9w n MET 91 Ca 0.00 -2.81 -0.14 0.00 -0.00 0.00 0.00 57.70 54.75 1m9w n MET 91 Cb 0.00 -3.01 -0.12 0.00 0.00 0.00 0.00 33.22 30.09 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 1.82 0.60 0.33 1.12 0.11 -1.26 -0.51 120.40 122.61 1m9w s VAL 92 Ca 0.52 -0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 58.47 1m9w s VAL 92 Cb 0.15 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1m9w s VAL 92 CO -0.06 -0.28 0.66 0.61 -3.33 0.00 0.00 175.10 172.69 1m9w n GLY 93 N 1.66 1.18 2.65 6.54 0.00 0.45 -4.95 105.19 112.73 1m9w n GLY 93 Ca -0.21 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 0.04 0.12 1.61 2.47 -1.10 -1.70 119.74 119.08 1m9w s LYS 94 Ca 0.14 0.10 -0.20 0.00 -1.56 0.00 0.00 55.97 54.45 1m9w s LYS 94 Cb -0.04 -1.35 -0.07 0.00 -1.46 0.00 0.00 37.83 34.91 1m9w s LYS 94 CO 0.10 -0.56 0.63 0.08 0.16 0.00 0.00 175.35 175.75 1m9w s VAL 95 N 2.18 4.66 -0.11 4.02 1.01 0.04 -3.54 120.40 128.65 1m9w s VAL 95 Ca 0.03 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.32 1m9w s VAL 95 Cb -0.15 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1m9w s VAL 95 CO -0.08 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.61 1m9w s VAL 96 N -1.20 2.33 -0.05 2.92 1.01 -0.01 -1.06 120.40 124.35 1m9w s VAL 96 Ca 0.33 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1m9w s VAL 96 Cb -0.19 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1m9w s VAL 96 CO 0.21 0.55 -0.10 0.68 0.00 0.00 0.00 175.10 176.43 1m9w s VAL 97 N 0.40 0.93 0.00 2.92 -7.23 -0.12 -1.77 120.40 115.53 1m9w s VAL 97 Ca -0.15 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1m9w s VAL 97 Cb -0.17 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1m9w s VAL 97 CO 0.07 0.30 0.00 -1.84 -0.31 0.00 0.00 175.10 173.32