#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 -0.24 -4.96 0.00 2.85 -1.26 -4.97 115.26 106.67 1m9w n ASN 2 Ca 0.00 0.03 -0.19 0.00 -0.11 0.00 0.00 54.58 54.30 1m9w n ASN 2 Cb 0.00 -0.05 -0.01 0.00 1.24 0.00 0.00 39.78 40.96 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 -0.00 4.15 -0.03 5.20 0.00 0.38 -4.98 121.76 126.47 1m9w s ALA 3 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 1m9w s ALA 3 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1m9w s ALA 3 CO 0.00 -0.02 0.15 0.99 0.00 0.00 0.00 175.76 176.88 1m9w s THR 4 N -2.20 0.04 0.01 0.00 2.01 -1.26 -1.23 115.64 113.01 1m9w s THR 4 Ca 0.44 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1m9w s THR 4 Cb -0.09 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1m9w s THR 4 CO 0.30 -0.17 0.33 0.54 -0.69 0.00 0.00 174.62 174.92 1m9w s VAL 5 N -0.58 0.06 -0.22 3.82 0.11 0.05 -4.50 120.40 119.14 1m9w s VAL 5 Ca -0.07 -0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1m9w s VAL 5 Cb -0.04 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1m9w s VAL 5 CO 0.01 -0.30 -0.07 -0.54 -3.33 0.00 0.00 175.10 170.87 1m9w s LYS 6 N -1.87 3.13 -0.23 1.54 1.02 -0.23 -1.33 119.74 121.77 1m9w s LYS 6 Ca -0.10 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.82 1m9w s LYS 6 Cb -0.03 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1m9w s LYS 6 CO 0.01 -0.27 1.04 -1.64 -0.92 0.00 0.00 175.35 173.57 1m9w s MET 7 N 1.40 4.26 0.00 1.68 -1.94 0.11 -0.80 119.30 124.01 1m9w s MET 7 Ca 0.04 1.36 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 1m9w s MET 7 Cb -0.15 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.05 1m9w s MET 7 CO -0.05 -0.63 0.00 0.41 -0.01 0.00 0.00 175.02 174.73 1m9w n GLY 8 N 3.32 -0.82 3.66 -0.03 0.00 -0.62 -0.20 105.19 110.51 1m9w n GLY 8 Ca 0.12 -0.66 -0.37 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 1.25 0.30 1.61 2.88 -0.13 -3.48 113.62 116.05 1m9w n SER 9 Ca 0.00 0.78 0.17 0.00 -1.33 0.00 0.00 58.87 58.49 1m9w n SER 9 Cb 0.00 -1.47 0.87 0.00 -0.75 0.00 0.00 64.21 62.87 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 0.30 0.00 0.61 -3.46 3.32 -1.91 0.55 116.42 115.83 1m9w h ASP 10 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1m9w h ASP 10 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1m9w h ASP 10 CO 0.51 0.00 -0.02 -1.20 -1.72 0.00 0.00 179.24 176.80 1m9w n SER 11 N -3.08 0.06 -0.47 6.45 7.64 -1.26 -4.91 113.62 118.05 1m9w n SER 11 Ca -0.01 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1m9w n SER 11 Cb 0.35 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.32 0.68 3.31 0.23 0.00 0.18 -5.10 105.19 105.81 1m9w n GLY 12 Ca 0.13 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.37 2.10 -0.57 4.61 0.00 -1.22 -4.80 121.76 119.49 1m9w s ALA 13 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1m9w s ALA 13 Cb 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 1m9w s ALA 13 CO 0.00 0.50 1.75 1.47 0.00 0.00 0.00 175.76 179.48 1m9w n LEU 14 N 2.06 3.17 -3.82 0.00 -0.00 -1.26 -0.96 117.00 116.19 1m9w n LEU 14 Ca -0.16 -2.29 -0.12 0.00 -0.00 0.00 0.00 56.01 53.43 1m9w n LEU 14 Cb 0.52 -0.90 -0.10 0.00 -0.00 0.00 0.00 43.42 42.94 1m9w n LEU 14 CO 0.23 -0.28 -0.10 0.54 -0.00 0.00 0.00 177.39 177.78 1m9w s VAL 15 N 4.45 0.05 0.00 1.47 0.11 -1.26 -3.43 120.40 121.80 1m9w s VAL 15 Ca 0.36 -0.42 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 1m9w s VAL 15 Cb 0.09 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.43 1m9w s VAL 15 CO 0.04 -0.23 0.51 0.72 -3.33 0.00 0.00 175.10 172.81 1m9w s PHE 16 N -0.90 3.71 -0.29 1.54 -0.12 -1.26 -1.03 117.98 119.63 1m9w s PHE 16 Ca -0.10 1.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.92 1m9w s PHE 16 Cb -0.05 -2.46 0.07 0.00 -0.63 0.00 0.00 43.02 39.95 1m9w s PHE 16 CO 0.02 0.49 -0.06 -1.83 -0.05 0.00 0.00 175.22 173.79 1m9w s GLU 17 N -0.64 2.00 0.50 1.99 -1.05 0.02 -1.10 118.70 120.42 1m9w s GLU 17 Ca 0.27 -1.52 -0.19 0.00 -0.15 0.00 0.00 54.97 53.38 1m9w s GLU 17 Cb -0.18 -2.99 -0.08 0.00 -0.44 0.00 0.00 34.13 30.44 1m9w s GLU 17 CO 0.15 -0.69 1.01 -1.25 0.95 0.00 0.00 175.26 175.44 1m9w s PRO 18 N 1.04 3.82 0.00 -4.83 0.04 -1.26 -1.07 135.00 132.73 1m9w s PRO 18 Ca -0.03 1.20 0.25 0.00 0.04 0.00 0.00 61.00 62.46 1m9w s PRO 18 Cb -0.20 -2.11 0.45 0.00 0.04 0.00 0.00 34.50 32.69 1m9w s PRO 18 CO -0.06 -0.40 1.37 0.43 0.04 0.00 0.00 177.00 178.39 1m9w n SER 19 N -1.25 0.88 -3.68 6.66 7.64 -0.26 -4.77 113.62 118.84 1m9w n SER 19 Ca 0.08 -0.68 -0.11 0.00 1.01 0.00 0.00 58.87 59.17 1m9w n SER 19 Cb 0.53 0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.95 1m9w n SER 19 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1m9w s THR 20 N -2.78 -0.30 0.06 0.44 2.01 -1.26 -2.64 115.64 111.16 1m9w s THR 20 Ca 0.16 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1m9w s THR 20 Cb 0.18 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1m9w s THR 20 CO 0.65 0.07 -0.05 0.54 -0.69 0.00 0.00 174.62 175.14 1m9w s VAL 21 N 1.97 0.41 -0.31 3.82 0.11 -1.19 -5.02 120.40 120.20 1m9w s VAL 21 Ca -0.05 -1.48 -0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1m9w s VAL 21 Cb -0.11 -1.08 0.10 0.00 -1.53 0.00 0.00 36.38 33.76 1m9w s VAL 21 CO -0.11 -0.71 0.09 0.28 -3.33 0.00 0.00 175.10 171.32 1m9w s THR 22 N -2.70 0.99 0.43 5.04 -1.32 -1.26 -0.65 115.64 116.17 1m9w s THR 22 Ca -0.01 -1.45 0.03 0.00 -1.21 0.00 0.00 61.69 59.05 1m9w s THR 22 Cb -0.01 -1.73 0.03 0.00 -1.51 0.00 0.00 72.50 69.28 1m9w s THR 22 CO -0.04 -0.65 0.22 2.30 -2.21 0.00 0.00 174.62 174.25 1m9w n ILE 23 N 4.80 0.00 -4.93 5.08 -5.35 0.16 -4.28 119.36 114.84 1m9w n ILE 23 Ca -0.02 -1.81 -0.27 0.00 -0.27 0.00 0.00 62.75 60.38 1m9w n ILE 23 Cb 0.42 0.04 -0.16 0.00 -1.74 0.00 0.00 39.64 38.20 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 -3.71 1.95 -0.47 6.28 0.00 -1.26 -0.71 119.74 121.82 1m9w s LYS 24 Ca 0.17 -0.67 -0.20 0.00 0.00 0.00 0.00 55.97 55.27 1m9w s LYS 24 Cb -0.01 -1.68 -0.12 0.00 0.00 0.00 0.00 37.83 36.02 1m9w s LYS 24 CO 0.11 0.27 1.41 0.00 0.00 0.00 0.00 175.35 177.14 1m9w n ALA 25 N 3.10 0.15 0.00 0.59 0.00 -1.26 -0.93 120.51 122.16 1m9w n ALA 25 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1m9w n ALA 25 Cb 0.53 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 3.81 1.17 3.96 0.00 0.00 0.13 -4.85 105.19 109.40 1m9w n GLY 26 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.07 2.52 0.31 1.61 2.02 -0.10 -4.79 118.70 120.20 1m9w s GLU 27 Ca 0.00 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.38 1m9w s GLU 27 Cb 0.00 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 1m9w s GLU 27 CO 0.00 -0.77 0.34 -1.83 0.02 0.00 0.00 175.26 173.02 1m9w s GLU 28 N -4.83 2.94 -0.26 1.61 -1.05 -1.26 -2.29 118.70 113.56 1m9w s GLU 28 Ca 0.57 -1.12 -0.01 0.00 -0.15 0.00 0.00 54.97 54.26 1m9w s GLU 28 Cb -0.10 -2.64 0.13 0.00 -0.44 0.00 0.00 34.13 31.08 1m9w s GLU 28 CO 0.39 0.16 0.31 0.08 0.95 0.00 0.00 175.26 177.15 1m9w s VAL 29 N -2.21 -0.45 -0.38 1.83 1.01 0.30 -0.47 120.40 120.03 1m9w s VAL 29 Ca 0.40 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1m9w s VAL 29 Cb -0.08 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1m9w s VAL 29 CO 0.28 -0.33 0.25 -1.59 0.00 0.00 0.00 175.10 173.71 1m9w s LYS 30 N 2.41 3.03 -0.27 2.72 -2.85 -0.36 -0.86 119.74 123.56 1m9w s LYS 30 Ca 0.09 -0.96 -0.03 0.00 -1.00 0.00 0.00 55.97 54.07 1m9w s LYS 30 Cb -0.14 -3.85 0.03 0.00 -2.06 0.00 0.00 37.83 31.80 1m9w s LYS 30 CO -0.25 -0.66 -0.01 1.67 0.10 0.00 0.00 175.35 176.20 1m9w s TRP 31 N 1.64 3.13 -0.10 1.78 -2.14 -1.07 -0.77 118.94 121.42 1m9w s TRP 31 Ca 0.04 -1.45 -0.11 0.00 2.66 0.00 0.00 56.10 57.24 1m9w s TRP 31 Cb -0.19 -2.12 -0.05 0.00 -3.10 0.00 0.00 33.47 28.01 1m9w s TRP 31 CO 0.09 -0.70 0.26 0.08 -2.66 0.00 0.00 176.95 174.02 1m9w s VAL 32 N 1.36 5.30 -0.09 -0.66 1.01 -0.44 -1.71 120.40 125.17 1m9w s VAL 32 Ca -0.00 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1m9w s VAL 32 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1m9w s VAL 32 CO -0.02 0.54 1.51 0.21 0.00 0.00 0.00 175.10 177.34 1m9w s ASN 33 N -0.60 6.77 0.00 3.32 3.84 -1.26 0.10 114.94 127.11 1m9w s ASN 33 Ca 0.18 2.05 0.00 0.00 0.21 0.00 0.00 52.86 55.29 1m9w s ASN 33 Cb -0.14 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1m9w s ASN 33 CO 0.07 -0.86 0.00 -3.20 -2.79 0.00 0.00 177.10 170.31 1m9w n ASN 34 N 6.90 1.79 -3.62 -4.21 5.15 0.72 0.01 115.26 122.00 1m9w n ASN 34 Ca 0.16 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.04 1m9w n ASN 34 Cb 0.43 0.18 -0.02 0.00 -0.53 0.00 0.00 39.78 39.84 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 -1.36 1.45 -1.54 1.20 2.20 -0.63 -4.93 119.74 116.13 1m9w s LYS 35 Ca 0.00 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 1m9w s LYS 35 Cb 0.00 0.58 0.03 0.00 -1.51 0.00 0.00 37.83 36.93 1m9w s LYS 35 CO 0.00 -0.64 0.24 -0.11 -0.36 0.00 0.00 175.35 174.48 1m9w n LEU 36 N -0.39 -1.41 -4.68 5.43 7.94 -1.26 -4.00 117.00 118.62 1m9w n LEU 36 Ca -0.12 -1.17 -0.40 0.00 -1.11 0.00 0.00 56.01 53.21 1m9w n LEU 36 Cb 0.63 -1.83 0.03 0.00 0.53 0.00 0.00 43.42 42.77 1m9w n LEU 36 CO 0.14 0.41 0.79 -1.20 -1.11 0.00 0.00 177.39 176.43 1m9w n SER 37 N -2.87 2.03 -4.28 1.96 7.64 -1.26 -4.66 113.62 112.17 1m9w n SER 37 Ca -0.26 1.01 -0.30 0.00 1.01 0.00 0.00 58.87 60.34 1m9w n SER 37 Cb 0.66 -1.47 0.18 0.00 -1.01 0.00 0.00 64.21 62.57 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 -2.42 0.40 0.02 1.43 0.04 -1.26 -5.07 135.00 128.14 1m9w s PRO 38 Ca 0.66 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.51 1m9w s PRO 38 Cb -0.48 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1m9w s PRO 38 CO 0.54 -2.62 0.19 -3.38 0.04 0.00 0.00 177.00 171.77 1m9w s HIS 39 N -3.48 0.01 0.09 0.56 -3.43 0.49 -5.00 115.29 104.54 1m9w s HIS 39 Ca 0.70 -0.13 -0.04 0.00 -0.80 0.00 0.00 55.06 54.79 1m9w s HIS 39 Cb -0.09 -0.01 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 1m9w s HIS 39 CO 0.54 -0.37 0.08 1.21 -2.00 0.00 0.00 174.74 174.19 1m9w s ASN 40 N -1.69 0.31 -0.35 7.38 3.84 -1.26 -0.25 114.94 122.92 1m9w s ASN 40 Ca -0.10 -0.96 -0.00 0.00 0.21 0.00 0.00 52.86 52.00 1m9w s ASN 40 Cb -0.04 0.28 0.12 0.00 -0.55 0.00 0.00 41.25 41.06 1m9w s ASN 40 CO -0.00 -0.70 0.17 -0.63 -2.79 0.00 0.00 177.10 173.15 1m9w s ILE 41 N -3.95 0.57 -0.22 -5.21 -1.09 -1.26 -4.10 121.20 105.95 1m9w s ILE 41 Ca 0.12 -1.64 -0.02 0.00 -2.23 0.00 0.00 60.65 56.88 1m9w s ILE 41 Cb 0.07 -1.43 0.01 0.00 -1.58 0.00 0.00 42.46 39.53 1m9w s ILE 41 CO -0.06 -0.84 -0.10 0.68 -1.23 0.00 0.00 174.94 173.39 1m9w s VAL 42 N 1.24 2.80 0.10 2.92 -7.23 0.03 0.41 120.40 120.68 1m9w s VAL 42 Ca 0.14 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 1m9w s VAL 42 Cb -0.21 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 1m9w s VAL 42 CO -0.13 0.39 1.09 -0.36 -0.31 0.00 0.00 175.10 175.78 1m9w s PHE 43 N 1.37 3.58 -1.93 2.82 0.40 -1.26 -1.64 117.98 121.32 1m9w s PHE 43 Ca 0.04 1.55 0.07 0.00 -0.60 0.00 0.00 56.93 57.98 1m9w s PHE 43 Cb -0.15 -3.27 0.41 0.00 0.51 0.00 0.00 43.02 40.53 1m9w s PHE 43 CO -0.07 -0.62 0.91 0.00 0.70 0.00 0.00 175.22 176.14 1m9w n ALA 44 N 3.17 1.73 -2.36 5.36 0.00 0.15 -4.83 120.51 123.73 1m9w n ALA 44 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1m9w n ALA 44 Cb 0.47 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.04 -0.28 0.22 0.00 0.00 -1.26 -4.96 120.51 113.20 1m9w n ALA 45 Ca 0.05 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1m9w n ALA 45 Cb 0.03 -1.42 0.44 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.28 0.00 0.00 0.00 5.19 -1.88 -3.46 116.42 115.99 1m9w h ASP 46 Ca -0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1m9w h ASP 46 Cb 1.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1m9w h ASP 46 CO 0.20 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 1m9w n GLY 47 N -1.27 3.86 0.12 2.75 0.00 -1.26 -5.03 105.19 104.35 1m9w n GLY 47 Ca -0.01 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.64 1.61 0.24 -1.26 -4.94 118.33 112.34 1m9w n VAL 48 Ca 0.00 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 1m9w n VAL 48 Cb 0.00 0.20 0.07 0.00 -1.47 0.00 0.00 33.84 32.64 1m9w n VAL 48 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1m9w s ASP 49 N -2.71 4.63 -1.43 -1.34 -1.08 -1.26 -4.92 116.67 108.56 1m9w s ASP 49 Ca 0.20 2.28 -0.10 0.00 -0.52 0.00 0.00 52.55 54.40 1m9w s ASP 49 Cb 0.19 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 39.12 1m9w s ASP 49 CO 0.58 -1.96 2.33 0.00 0.52 0.00 0.00 175.17 176.64 1m9w n ALA 50 N -2.38 6.19 -0.34 3.66 0.00 -1.26 -4.79 120.51 121.58 1m9w n ALA 50 Ca 0.13 -3.95 0.20 0.00 0.00 0.00 0.00 53.44 49.82 1m9w n ALA 50 Cb 0.50 -3.23 0.44 0.00 0.00 0.00 0.00 19.45 17.17 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 5.47 0.57 0.13 0.00 2.03 -1.93 0.67 116.42 123.36 1m9w h ASP 51 Ca 0.62 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 57.03 1m9w h ASP 51 Cb 0.50 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1m9w h ASP 51 CO 1.73 0.09 0.00 1.07 -1.03 0.00 0.00 179.24 181.10 1m9w n THR 52 N -4.77 1.69 0.00 1.15 5.66 -1.26 -1.43 114.28 115.32 1m9w n THR 52 Ca 0.26 0.45 0.00 0.00 -3.05 0.00 0.00 64.05 61.71 1m9w n THR 52 Cb 0.81 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 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 -1.52 1.65 -0.10 1.79 0.00 0.13 -4.75 120.51 117.72 1m9w n ALA 53 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1m9w n ALA 53 Cb 0.05 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.83 2.24 -2.50 0.00 0.00 -0.51 -5.00 120.51 113.90 1m9w n ALA 54 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.27 1m9w n ALA 54 Cb 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.01 0.61 -1.32 0.00 -2.85 -0.53 -4.83 119.74 109.80 1m9w s LYS 55 Ca 0.25 -0.93 -0.09 0.00 -1.00 0.00 0.00 55.97 54.20 1m9w s LYS 55 Cb 0.13 0.23 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 1m9w s LYS 55 CO 0.18 -0.14 2.58 1.28 0.10 0.00 0.00 175.35 179.34 1m9w n LEU 56 N 0.49 7.10 -0.21 2.77 4.77 0.17 -4.88 117.00 127.20 1m9w n LEU 56 Ca -0.17 -3.75 -0.01 0.00 -0.03 0.00 0.00 56.01 52.05 1m9w n LEU 56 Cb 0.60 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 1m9w n LEU 56 CO 0.24 1.41 0.08 -1.20 -1.33 0.00 0.00 177.39 176.60 1m9w n SER 57 N 4.04 -0.08 -0.16 -1.43 7.64 -1.26 -0.48 113.62 121.88 1m9w n SER 57 Ca 0.64 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1m9w n SER 57 Cb 0.20 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.25 -0.16 -0.51 1.43 8.25 -1.26 -3.13 115.22 120.10 1m9w n HIS 58 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1m9w n HIS 58 Cb 0.01 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 -0.16 0.41 -1.93 -0.41 3.00 -1.18 -5.02 118.16 112.88 1m9w n LYS 59 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1m9w n LYS 59 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 2.81 -0.02 3.14 0.00 0.37 -5.01 107.32 108.61 1m9w s GLY 60 Ca 0.00 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.77 1m9w s GLY 60 CO 0.00 1.56 0.16 -2.27 0.00 0.00 0.00 173.10 172.55 1m9w s LEU 61 N -3.91 1.45 -0.28 0.66 2.96 -1.26 -4.64 118.68 113.67 1m9w s LEU 61 Ca 0.76 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1m9w s LEU 61 Cb -0.34 0.69 0.05 0.00 0.50 0.00 0.00 46.19 47.10 1m9w s LEU 61 CO 0.38 -0.30 -0.06 0.00 -1.32 0.00 0.00 176.35 175.05 1m9w s ALA 62 N -1.01 2.68 -0.03 5.97 0.00 0.66 -4.97 121.76 125.06 1m9w s ALA 62 Ca -0.11 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.14 1m9w s ALA 62 Cb -0.06 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1m9w s ALA 62 CO 0.01 -1.20 0.01 1.97 0.00 0.00 0.00 175.76 176.55 1m9w n PHE 63 N 4.54 0.00 -3.90 0.00 -1.74 -1.26 -0.38 117.46 114.71 1m9w n PHE 63 Ca -0.14 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.39 1m9w n PHE 63 Cb 0.43 -0.16 -0.07 0.00 1.52 0.00 0.00 39.48 41.20 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 -2.08 3.72 -0.11 1.98 0.00 -1.26 -4.64 121.76 119.38 1m9w s ALA 64 Ca -0.02 -0.68 -0.33 0.00 0.00 0.00 0.00 51.96 50.93 1m9w s ALA 64 Cb 0.01 -1.97 -0.11 0.00 0.00 0.00 0.00 23.12 21.05 1m9w s ALA 64 CO 0.12 0.44 1.94 0.00 0.00 0.00 0.00 175.76 178.27 1m9w n ALA 65 N 2.58 1.03 0.00 0.00 0.00 -1.26 -1.97 120.51 120.88 1m9w n ALA 65 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1m9w n ALA 65 Cb 0.54 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 4.69 0.75 0.45 0.00 0.00 0.10 -5.01 105.19 106.17 1m9w n GLY 66 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 4.18 -1.08 -2.73 1.61 5.08 -1.56 -3.42 114.58 116.66 1m9w h GLU 67 Ca 0.00 0.07 0.31 0.00 -1.00 0.00 0.00 59.36 58.74 1m9w h GLU 67 Cb 0.00 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 1m9w h GLU 67 CO 0.00 -0.72 -0.70 -1.13 -1.00 0.00 0.00 179.01 175.46 1m9w n SER 68 N -5.29 -7.09 -3.68 1.42 3.41 -1.26 -4.81 113.62 96.32 1m9w n SER 68 Ca -0.14 0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1m9w n SER 68 Cb 0.44 -3.79 -0.09 0.00 -0.26 0.00 0.00 64.21 60.51 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 -2.89 -0.67 0.03 7.33 -0.71 -0.69 -4.94 117.98 115.44 1m9w s PHE 69 Ca 0.00 1.51 0.02 0.00 -1.04 0.00 0.00 56.93 57.42 1m9w s PHE 69 Cb 0.00 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1m9w s PHE 69 CO 0.00 -0.34 0.02 -0.08 -1.34 0.00 0.00 175.22 173.49 1m9w s THR 70 N 0.77 4.25 0.12 -4.49 -1.32 -1.26 -2.60 115.64 111.11 1m9w s THR 70 Ca -0.04 -0.70 0.07 0.00 -1.21 0.00 0.00 61.69 59.82 1m9w s THR 70 Cb -0.05 -2.96 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 1m9w s THR 70 CO -0.06 0.27 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.50 1m9w s SER 71 N -1.89 2.37 -0.21 8.08 1.04 -0.04 -5.00 113.70 118.05 1m9w s SER 71 Ca 0.23 -0.74 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 1m9w s SER 71 Cb -0.12 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 65.98 1m9w s SER 71 CO 0.14 -0.01 0.44 -0.89 0.98 0.00 0.00 173.24 173.90 1m9w s THR 72 N -1.54 -0.69 0.05 2.02 2.01 -1.26 -0.54 115.64 115.68 1m9w s THR 72 Ca 0.08 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1m9w s THR 72 Cb -0.08 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1m9w s THR 72 CO 0.04 0.04 -0.03 0.72 -0.69 0.00 0.00 174.62 174.70 1m9w s PHE 73 N 2.64 0.48 -0.03 4.92 -0.12 -0.97 -5.00 117.98 119.91 1m9w s PHE 73 Ca 0.00 -0.99 0.11 0.00 -0.05 0.00 0.00 56.93 56.00 1m9w s PHE 73 Cb -0.12 -0.36 0.19 0.00 -0.63 0.00 0.00 43.02 42.09 1m9w s PHE 73 CO -0.14 -0.35 1.08 -2.37 -0.05 0.00 0.00 175.22 173.39 1m9w n THR 74 N 0.34 0.32 -3.00 -4.49 5.66 -1.26 -0.70 114.28 111.15 1m9w n THR 74 Ca -0.16 -0.73 -0.43 0.00 -3.05 0.00 0.00 64.05 59.68 1m9w n THR 74 Cb 0.60 0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.48 3.33 -0.45 1.09 -1.05 -1.26 -4.59 118.70 115.29 1m9w s GLU 75 Ca 0.16 -0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 54.43 1m9w s GLU 75 Cb 0.17 -3.98 -0.05 0.00 -0.44 0.00 0.00 34.13 29.84 1m9w s GLU 75 CO -0.05 -1.16 2.17 -2.14 0.95 0.00 0.00 175.26 175.02 1m9w s PRO 76 N 3.20 2.55 0.00 -4.83 0.02 -1.26 -4.70 135.00 129.99 1m9w s PRO 76 Ca 0.26 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1m9w s PRO 76 Cb -0.13 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 29.93 1m9w s PRO 76 CO 0.20 -2.77 0.00 0.41 -0.33 0.00 0.00 177.00 174.51 1m9w n GLY 77 N 5.82 -0.76 3.12 0.52 0.00 0.17 -4.98 105.19 109.07 1m9w n GLY 77 Ca 0.30 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.00 1.63 -0.12 2.61 -1.32 -1.26 -0.75 115.64 113.43 1m9w s THR 78 Ca 0.00 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 59.75 1m9w s THR 78 Cb 0.00 -1.45 0.01 0.00 -1.51 0.00 0.00 72.50 69.55 1m9w s THR 78 CO 0.00 0.47 -0.22 -0.72 -2.21 0.00 0.00 174.62 171.93 1m9w s TYR 79 N 0.62 2.59 0.32 9.09 1.13 -0.20 -4.96 117.35 125.93 1m9w s TYR 79 Ca -0.14 -1.20 -0.25 0.00 -1.41 0.00 0.00 57.07 54.06 1m9w s TYR 79 Cb -0.16 -1.75 -0.10 0.00 -1.10 0.00 0.00 41.96 38.85 1m9w s TYR 79 CO 0.04 -0.53 0.92 0.99 -2.51 0.00 0.00 175.55 174.47 1m9w s THR 80 N 0.62 4.25 0.20 -3.49 2.01 -1.26 -0.73 115.64 117.24 1m9w s THR 80 Ca -0.12 1.77 -0.14 0.00 0.31 0.00 0.00 61.69 63.51 1m9w s THR 80 Cb -0.17 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1m9w s THR 80 CO 0.03 0.14 0.45 -0.72 -0.69 0.00 0.00 174.62 173.82 1m9w s TYR 81 N -1.62 0.14 0.26 4.92 1.13 -0.67 -0.68 117.35 120.82 1m9w s TYR 81 Ca 0.50 -0.49 -0.21 0.00 -1.41 0.00 0.00 57.07 55.46 1m9w s TYR 81 Cb -0.18 0.22 0.06 0.00 -1.10 0.00 0.00 41.96 40.96 1m9w s TYR 81 CO 0.23 -0.88 0.88 1.52 -2.51 0.00 0.00 175.55 174.80 1m9w s TYR 82 N -3.93 -0.01 -0.27 -3.49 1.13 -0.65 -0.55 117.35 109.58 1m9w s TYR 82 Ca 0.14 -0.47 -0.06 0.00 -1.41 0.00 0.00 57.07 55.27 1m9w s TYR 82 Cb 0.00 0.73 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 1m9w s TYR 82 CO 0.01 -1.17 0.05 0.00 -2.51 0.00 0.00 175.55 171.93 1m9w h GLU 84 N 8.19 -0.10 0.00 0.00 4.39 -1.88 -0.51 114.58 124.67 1m9w h GLU 84 Ca -0.34 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1m9w h GLU 84 Cb 1.13 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1m9w h GLU 84 CO 0.60 -0.07 0.00 -0.35 -1.16 0.00 0.00 179.01 178.03 1m9w n PRO 85 N -4.46 0.14 -0.07 2.33 -0.04 -1.26 -2.30 135.00 129.34 1m9w n PRO 85 Ca -0.00 0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1m9w n PRO 85 Cb 0.19 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.21 0.00 -0.03 0.54 8.25 -0.68 -4.89 115.22 117.20 1m9w n HIS 86 Ca 0.04 -0.28 0.23 0.00 -0.26 0.00 0.00 57.72 57.45 1m9w n HIS 86 Cb 0.05 -0.04 0.72 0.00 1.12 0.00 0.00 29.99 31.84 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 0.00 -0.01 -0.41 0.11 -0.70 -0.63 114.38 112.73 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 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1m9w h ARG 87 CO 0.00 0.00 -0.44 0.41 0.10 0.00 0.00 179.97 180.04 1m9w n GLY 88 N -1.61 -0.13 0.37 0.08 0.00 -1.26 -4.30 105.19 98.34 1m9w n GLY 88 Ca 0.12 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.36 3.67 0.00 4.61 0.00 -0.33 -4.98 120.51 123.11 1m9w n ALA 89 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1m9w n ALA 89 Cb 0.34 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.42 0.95 2.50 0.00 0.00 -0.92 -4.97 105.19 104.18 1m9w n GLY 90 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.24 3.67 -4.16 1.61 0.00 -0.67 -4.82 117.12 111.51 1m9w n MET 91 Ca 0.00 -2.68 -0.15 0.00 -0.00 0.00 0.00 57.70 54.86 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 1.58 0.56 0.23 1.12 0.11 -1.26 -0.15 120.40 122.59 1m9w s VAL 92 Ca 0.58 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1m9w s VAL 92 Cb 0.16 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1m9w s VAL 92 CO -0.07 -0.08 0.41 0.61 -3.33 0.00 0.00 175.10 172.64 1m9w n GLY 93 N 2.25 1.84 2.78 6.54 0.00 0.29 -4.97 105.19 113.91 1m9w n GLY 93 Ca -0.17 -1.31 -0.19 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 -2.23 0.08 0.20 1.61 2.47 -1.08 -1.68 119.74 119.11 1m9w s LYS 94 Ca 0.13 0.36 -0.13 0.00 -1.56 0.00 0.00 55.97 54.77 1m9w s LYS 94 Cb -0.02 -0.77 -0.07 0.00 -1.46 0.00 0.00 37.83 35.50 1m9w s LYS 94 CO 0.09 -0.46 0.58 0.08 0.16 0.00 0.00 175.35 175.81 1m9w s VAL 95 N 2.28 4.84 -0.10 4.02 1.01 0.09 -3.18 120.40 129.36 1m9w s VAL 95 Ca 0.04 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 1m9w s VAL 95 Cb -0.14 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1m9w s VAL 95 CO -0.08 0.07 -0.06 -0.69 0.00 0.00 0.00 175.10 174.34 1m9w s VAL 96 N -1.66 0.89 -0.21 2.92 1.01 0.17 -1.03 120.40 122.50 1m9w s VAL 96 Ca 0.44 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1m9w s VAL 96 Cb -0.13 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1m9w s VAL 96 CO 0.20 0.34 -0.09 0.68 0.00 0.00 0.00 175.10 176.23 1m9w s VAL 97 N 1.71 1.62 0.00 2.92 -7.23 0.07 -0.67 120.40 118.82 1m9w s VAL 97 Ca 0.04 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1m9w s VAL 97 Cb -0.13 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.08 1m9w s VAL 97 CO -0.07 0.11 0.00 -1.84 -0.31 0.00 0.00 175.10 172.99