#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 -4.86 0.00 2.85 -1.26 -4.93 115.26 107.06 1m9w n ASN 2 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1m9w n ASN 2 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 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 3.16 -0.05 5.20 0.00 -0.58 -4.95 121.76 124.54 1m9w s ALA 3 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1m9w s ALA 3 Cb 0.00 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1m9w s ALA 3 CO 0.00 -0.35 0.00 0.99 0.00 0.00 0.00 175.76 176.40 1m9w s THR 4 N -2.77 0.25 0.05 0.00 2.01 -1.26 -0.69 115.64 113.23 1m9w s THR 4 Ca 0.55 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.70 1m9w s THR 4 Cb -0.10 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1m9w s THR 4 CO 0.40 0.20 -0.09 0.54 -0.69 0.00 0.00 174.62 174.98 1m9w s VAL 5 N 1.49 0.64 -0.22 3.82 0.11 0.16 -4.59 120.40 121.81 1m9w s VAL 5 Ca -0.03 -1.10 -0.00 0.00 -2.93 0.00 0.00 61.98 57.91 1m9w s VAL 5 Cb -0.13 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1m9w s VAL 5 CO -0.03 -0.35 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.74 1m9w s LYS 6 N -1.58 2.88 -0.17 1.54 1.02 -0.25 -1.19 119.74 121.98 1m9w s LYS 6 Ca -0.08 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1m9w s LYS 6 Cb -0.10 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1m9w s LYS 6 CO 0.01 -0.33 1.18 -1.64 -0.92 0.00 0.00 175.35 173.64 1m9w s MET 7 N 1.30 4.26 0.00 1.68 -1.94 0.13 -0.15 119.30 124.59 1m9w s MET 7 Ca 0.01 1.56 0.00 0.00 -1.71 0.00 0.00 55.69 55.55 1m9w s MET 7 Cb -0.15 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 32.99 1m9w s MET 7 CO -0.07 -0.64 0.00 0.41 -0.01 0.00 0.00 175.02 174.71 1m9w n GLY 8 N 3.47 -0.93 3.66 -0.03 0.00 -0.44 -0.31 105.19 110.61 1m9w n GLY 8 Ca 0.13 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 1.09 0.26 1.61 2.88 0.31 -3.34 113.62 116.42 1m9w n SER 9 Ca 0.00 0.71 0.15 0.00 -1.33 0.00 0.00 58.87 58.41 1m9w n SER 9 Cb 0.00 -1.47 0.82 0.00 -0.75 0.00 0.00 64.21 62.81 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 -0.08 0.00 0.73 -3.46 3.32 -1.91 0.34 116.42 115.37 1m9w h ASP 10 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1m9w h ASP 10 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1m9w h ASP 10 CO 0.49 0.00 -0.02 -0.24 -1.72 0.00 0.00 179.24 177.75 1m9w n SER 11 N -2.63 0.04 0.00 6.45 2.88 -1.26 -4.91 113.62 114.18 1m9w n SER 11 Ca -0.02 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1m9w n SER 11 Cb 0.16 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1m9w n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m9w n GLY 12 N 1.38 0.86 3.87 0.46 0.00 0.11 -5.09 105.19 106.78 1m9w n GLY 12 Ca 0.11 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 3.85 -0.64 4.61 0.00 -1.24 -4.70 121.76 121.64 1m9w s ALA 13 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1m9w s ALA 13 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.98 1m9w s ALA 13 CO 0.00 0.61 1.82 1.47 0.00 0.00 0.00 175.76 179.65 1m9w n LEU 14 N 1.84 3.51 -3.81 0.00 -0.00 -1.26 -1.34 117.00 115.95 1m9w n LEU 14 Ca -0.18 -2.44 -0.12 0.00 -0.00 0.00 0.00 56.01 53.27 1m9w n LEU 14 Cb 0.54 -0.95 -0.10 0.00 -0.00 0.00 0.00 43.42 42.91 1m9w n LEU 14 CO 0.33 -0.18 -0.09 0.54 -0.00 0.00 0.00 177.39 177.99 1m9w s VAL 15 N 4.40 0.04 0.25 1.47 0.11 -1.26 -3.31 120.40 122.09 1m9w s VAL 15 Ca 0.39 -0.31 -0.21 0.00 -2.93 0.00 0.00 61.98 58.92 1m9w s VAL 15 Cb 0.10 -0.43 -0.09 0.00 -1.53 0.00 0.00 36.38 34.43 1m9w s VAL 15 CO 0.04 -0.17 0.77 0.72 -3.33 0.00 0.00 175.10 173.13 1m9w s PHE 16 N -0.64 3.65 -0.26 1.54 -0.12 -1.26 -0.53 117.98 120.36 1m9w s PHE 16 Ca -0.07 1.47 0.02 0.00 -0.05 0.00 0.00 56.93 58.29 1m9w s PHE 16 Cb -0.04 -2.68 0.07 0.00 -0.63 0.00 0.00 43.02 39.73 1m9w s PHE 16 CO 0.02 0.31 -0.04 -1.83 -0.05 0.00 0.00 175.22 173.62 1m9w s GLU 17 N -2.00 1.71 0.39 1.99 -1.05 0.79 -1.42 118.70 119.11 1m9w s GLU 17 Ca 0.45 -1.20 -0.23 0.00 -0.15 0.00 0.00 54.97 53.83 1m9w s GLU 17 Cb -0.17 -2.71 -0.10 0.00 -0.44 0.00 0.00 34.13 30.71 1m9w s GLU 17 CO 0.21 -0.66 0.98 -1.25 0.95 0.00 0.00 175.26 175.49 1m9w s PRO 18 N 1.27 4.29 0.00 -4.83 0.04 -1.26 -1.09 135.00 133.41 1m9w s PRO 18 Ca -0.03 1.30 0.29 0.00 0.04 0.00 0.00 61.00 62.59 1m9w s PRO 18 Cb -0.19 -2.45 1.18 0.00 0.04 0.00 0.00 34.50 33.08 1m9w s PRO 18 CO -0.07 0.01 1.82 0.43 0.04 0.00 0.00 177.00 179.22 1m9w n SER 19 N -0.15 1.13 -3.68 6.66 7.64 -0.51 -4.71 113.62 120.00 1m9w n SER 19 Ca 0.05 -1.30 -0.10 0.00 1.01 0.00 0.00 58.87 58.53 1m9w n SER 19 Cb 0.52 0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.08 -0.20 0.07 0.44 2.01 -1.26 -2.75 115.64 111.88 1m9w s THR 20 Ca 0.38 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.50 1m9w s THR 20 Cb 0.21 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1m9w s THR 20 CO 0.37 0.05 -0.05 0.54 -0.69 0.00 0.00 174.62 174.83 1m9w s VAL 21 N 1.74 0.47 -0.21 3.82 0.11 -1.18 -5.02 120.40 120.13 1m9w s VAL 21 Ca -0.07 -1.73 -0.04 0.00 -2.93 0.00 0.00 61.98 57.21 1m9w s VAL 21 Cb -0.09 -1.41 0.07 0.00 -1.53 0.00 0.00 36.38 33.42 1m9w s VAL 21 CO -0.13 -0.84 0.09 0.28 -3.33 0.00 0.00 175.10 171.17 1m9w s THR 22 N -3.33 0.09 0.38 5.04 -1.32 -1.26 -0.86 115.64 114.38 1m9w s THR 22 Ca 0.06 -0.44 0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1m9w s THR 22 Cb 0.03 -0.81 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 1m9w s THR 22 CO -0.06 -0.39 0.07 0.27 -2.21 0.00 0.00 174.62 172.30 1m9w s ILE 23 N 2.05 1.10 0.10 5.08 -4.36 -0.62 -4.16 121.20 120.38 1m9w s ILE 23 Ca 0.03 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 1m9w s ILE 23 Cb -0.16 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1m9w s ILE 23 CO -0.16 0.00 -0.16 -1.59 0.24 0.00 0.00 174.94 173.27 1m9w s LYS 24 N -3.82 0.98 -0.11 0.37 0.00 -1.26 -1.01 119.74 114.89 1m9w s LYS 24 Ca 0.29 -1.13 -0.10 0.00 0.00 0.00 0.00 55.97 55.03 1m9w s LYS 24 Cb 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 37.83 36.86 1m9w s LYS 24 CO 0.14 0.21 0.40 0.00 0.00 0.00 0.00 175.35 176.10 1m9w n ALA 25 N 0.91 -0.13 0.00 0.59 0.00 -1.26 -1.70 120.51 118.92 1m9w n ALA 25 Ca -0.18 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1m9w n ALA 25 Cb 0.55 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.23 3.15 3.88 0.00 0.00 -0.36 -4.92 105.19 108.18 1m9w n GLY 26 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.74 2.28 0.45 1.61 2.02 -0.69 -4.83 118.70 118.80 1m9w s GLU 27 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1m9w s GLU 27 Cb 0.00 -1.97 -0.00 0.00 0.10 0.00 0.00 34.13 32.26 1m9w s GLU 27 CO 0.00 -1.41 0.03 -0.85 0.02 0.00 0.00 175.26 173.05 1m9w n GLU 28 N -3.22 0.81 -3.54 1.61 0.00 -1.26 -3.06 120.64 111.98 1m9w n GLU 28 Ca 0.07 -3.39 -0.28 0.00 0.00 0.00 0.00 57.16 53.56 1m9w n GLU 28 Cb 0.59 1.08 -0.15 0.00 0.00 0.00 0.00 31.44 32.96 1m9w n GLU 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1m9w s VAL 29 N -2.75 -0.10 -0.20 3.84 1.01 -0.60 -1.52 120.40 120.08 1m9w s VAL 29 Ca 0.04 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1m9w s VAL 29 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1m9w s VAL 29 CO 0.03 -0.65 0.66 -1.59 0.00 0.00 0.00 175.10 173.55 1m9w s LYS 30 N 2.13 4.21 -0.11 2.72 -2.85 0.14 -1.98 119.74 123.99 1m9w s LYS 30 Ca 0.08 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.73 1m9w s LYS 30 Cb -0.16 -3.58 0.02 0.00 -2.06 0.00 0.00 37.83 32.05 1m9w s LYS 30 CO -0.33 -0.27 -0.11 1.67 0.10 0.00 0.00 175.35 176.41 1m9w s TRP 31 N 2.01 1.68 0.07 1.78 1.48 -0.81 -0.67 118.94 124.49 1m9w s TRP 31 Ca 0.30 -0.83 0.04 0.00 -1.06 0.00 0.00 56.10 54.55 1m9w s TRP 31 Cb -0.16 -1.30 -0.04 0.00 -1.16 0.00 0.00 33.47 30.81 1m9w s TRP 31 CO 0.10 -0.50 0.01 0.08 -4.06 0.00 0.00 176.95 172.58 1m9w s VAL 32 N 1.41 4.09 -0.28 -0.66 1.01 -0.34 -1.13 120.40 124.50 1m9w s VAL 32 Ca 0.01 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1m9w s VAL 32 Cb -0.13 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1m9w s VAL 32 CO -0.06 0.17 1.23 0.21 0.00 0.00 0.00 175.10 176.66 1m9w s ASN 33 N -2.16 6.79 0.00 3.32 3.84 0.71 0.21 114.94 127.65 1m9w s ASN 33 Ca 0.25 1.24 0.00 0.00 0.21 0.00 0.00 52.86 54.56 1m9w s ASN 33 Cb -0.12 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 1m9w s ASN 33 CO 0.17 -0.98 0.00 -3.20 -2.79 0.00 0.00 177.10 170.30 1m9w n ASN 34 N 7.26 2.17 -3.51 -4.21 5.15 0.57 -0.57 115.26 122.12 1m9w n ASN 34 Ca 0.14 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.00 1m9w n ASN 34 Cb 0.46 0.27 -0.03 0.00 -0.53 0.00 0.00 39.78 39.96 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 -1.29 1.19 -1.42 1.20 2.20 -0.51 -4.93 119.74 116.18 1m9w s LYS 35 Ca 0.00 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1m9w s LYS 35 Cb 0.00 0.54 0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1m9w s LYS 35 CO 0.00 -0.50 0.41 -0.11 -0.36 0.00 0.00 175.35 174.79 1m9w n LEU 36 N -0.31 -2.15 -4.69 5.43 7.94 -1.26 -3.97 117.00 117.99 1m9w n LEU 36 Ca -0.17 -1.02 -0.42 0.00 -1.11 0.00 0.00 56.01 53.29 1m9w n LEU 36 Cb 0.64 -2.19 -0.00 0.00 0.53 0.00 0.00 43.42 42.40 1m9w n LEU 36 CO 0.14 0.43 0.87 -0.24 -1.11 0.00 0.00 177.39 177.48 1m9w n SER 37 N -2.97 2.60 -4.83 1.96 2.88 -1.26 -4.55 113.62 107.44 1m9w n SER 37 Ca -0.30 1.19 -0.30 0.00 -1.33 0.00 0.00 58.87 58.13 1m9w n SER 37 Cb 0.68 -1.47 0.08 0.00 -0.75 0.00 0.00 64.21 62.75 1m9w n SER 37 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1m9w s PRO 38 N -1.91 2.24 0.21 -1.46 0.04 -1.26 -5.08 135.00 127.78 1m9w s PRO 38 Ca 0.57 0.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.07 1m9w s PRO 38 Cb -0.57 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1m9w s PRO 38 CO 0.61 -1.49 0.24 -3.38 0.04 0.00 0.00 177.00 173.03 1m9w s HIS 39 N -3.26 0.87 0.17 0.56 -3.43 0.66 -4.81 115.29 106.04 1m9w s HIS 39 Ca 0.60 -1.14 -0.23 0.00 -0.80 0.00 0.00 55.06 53.49 1m9w s HIS 39 Cb -0.13 -0.30 0.07 0.00 -1.43 0.00 0.00 32.58 30.79 1m9w s HIS 39 CO 0.53 -0.75 1.01 1.21 -2.00 0.00 0.00 174.74 174.74 1m9w s ASN 40 N -3.10 -0.07 -0.34 7.38 3.84 -1.26 0.13 114.94 121.52 1m9w s ASN 40 Ca 0.32 -0.57 0.01 0.00 0.21 0.00 0.00 52.86 52.84 1m9w s ASN 40 Cb 0.04 0.50 0.15 0.00 -0.55 0.00 0.00 41.25 41.38 1m9w s ASN 40 CO 0.10 -0.96 0.32 -0.63 -2.79 0.00 0.00 177.10 173.15 1m9w s ILE 41 N -2.62 -0.30 -0.27 -5.21 -1.09 -1.25 -4.21 121.20 106.25 1m9w s ILE 41 Ca 0.18 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1m9w s ILE 41 Cb -0.02 -0.84 0.05 0.00 -1.58 0.00 0.00 42.46 40.07 1m9w s ILE 41 CO 0.04 -0.59 -0.06 0.68 -1.23 0.00 0.00 174.94 173.78 1m9w s VAL 42 N 1.74 2.62 0.12 2.92 -7.23 0.19 0.01 120.40 120.76 1m9w s VAL 42 Ca 0.14 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1m9w s VAL 42 Cb -0.16 -2.46 -0.07 0.00 0.56 0.00 0.00 36.38 34.25 1m9w s VAL 42 CO -0.14 0.01 1.24 -0.36 -0.31 0.00 0.00 175.10 175.54 1m9w s PHE 43 N 1.21 3.39 -1.66 2.82 0.08 -1.26 -1.80 117.98 120.76 1m9w s PHE 43 Ca -0.05 1.27 0.02 0.00 0.12 0.00 0.00 56.93 58.29 1m9w s PHE 43 Cb -0.19 -3.48 0.13 0.00 -0.57 0.00 0.00 43.02 38.91 1m9w s PHE 43 CO -0.04 -1.50 0.78 0.00 -0.10 0.00 0.00 175.22 174.36 1m9w n ALA 44 N 3.42 1.43 -3.50 5.36 0.00 0.16 -4.86 120.51 122.53 1m9w n ALA 44 Ca 0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1m9w n ALA 44 Cb 0.45 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.17 -2.15 -0.41 0.00 0.00 -1.26 -4.88 120.51 110.63 1m9w n ALA 45 Ca 0.01 -0.07 0.34 0.00 0.00 0.00 0.00 53.44 53.72 1m9w n ALA 45 Cb 0.01 -3.05 0.62 0.00 0.00 0.00 0.00 19.45 17.04 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 -1.73 0.28 0.00 0.00 5.19 -1.89 -3.46 116.42 114.82 1m9w h ASP 46 Ca -0.61 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1m9w h ASP 46 Cb 1.34 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1m9w h ASP 46 CO 0.51 -0.12 0.00 0.61 -3.12 0.00 0.00 179.24 177.11 1m9w n GLY 47 N -1.51 1.31 0.02 2.75 0.00 -1.26 -4.96 105.19 101.53 1m9w n GLY 47 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 0.24 -2.48 1.61 0.24 -1.26 -5.02 118.33 111.66 1m9w n VAL 48 Ca 0.00 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.34 61.60 1m9w n VAL 48 Cb 0.00 -0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.52 7.21 -1.44 -1.34 -4.77 -1.26 -4.96 116.67 106.60 1m9w s ASP 49 Ca -0.04 2.08 -0.10 0.00 -3.30 0.00 0.00 52.55 51.20 1m9w s ASP 49 Cb 0.05 -2.60 0.05 0.00 -1.09 0.00 0.00 42.92 39.33 1m9w s ASP 49 CO 0.40 -0.29 2.41 0.00 0.70 0.00 0.00 175.17 178.39 1m9w n ALA 50 N 2.72 6.45 -0.34 2.11 0.00 -1.26 -4.79 120.51 125.40 1m9w n ALA 50 Ca 0.04 -3.93 0.04 0.00 0.00 0.00 0.00 53.44 49.60 1m9w n ALA 50 Cb 0.46 -3.17 0.11 0.00 0.00 0.00 0.00 19.45 16.85 1m9w n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1m9w n ASP 51 N 3.71 -0.39 0.00 0.00 5.75 -1.26 -0.82 116.55 123.54 1m9w n ASP 51 Ca 0.60 1.60 0.00 0.00 -0.01 0.00 0.00 54.79 56.98 1m9w n ASP 51 Cb 0.30 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1m9w n ASP 51 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1m9w n THR 52 N -5.49 1.53 -0.21 2.12 5.66 -1.26 -0.58 114.28 116.05 1m9w n THR 52 Ca 0.14 0.45 0.00 0.00 -3.05 0.00 0.00 64.05 61.59 1m9w n THR 52 Cb 0.45 -1.45 0.00 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 -1.37 1.44 0.46 1.79 0.00 0.00 -4.79 120.51 118.05 1m9w n ALA 53 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1m9w n ALA 53 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.27 3.30 -2.36 0.00 0.00 0.25 -4.44 120.51 117.00 1m9w n ALA 54 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 1m9w n ALA 54 Cb 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.02 1.42 0.00 0.00 -2.85 -0.20 -4.66 119.74 111.43 1m9w s LYS 55 Ca 0.04 -1.74 0.00 0.00 -1.00 0.00 0.00 55.97 53.26 1m9w s LYS 55 Cb 0.08 -0.67 0.00 0.00 -2.06 0.00 0.00 37.83 35.18 1m9w s LYS 55 CO 0.43 -0.13 0.39 1.28 0.10 0.00 0.00 175.35 177.42 1m9w n LEU 56 N -0.49 0.42 0.00 2.77 4.77 0.10 -4.90 117.00 119.68 1m9w n LEU 56 Ca -0.04 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1m9w n LEU 56 Cb 0.65 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1m9w n LEU 56 CO 0.38 -0.37 0.00 -0.24 -1.33 0.00 0.00 177.39 175.83 1m9w n SER 57 N -1.62 0.00 0.01 -1.43 2.88 -1.25 -4.79 113.62 107.41 1m9w n SER 57 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1m9w n SER 57 Cb 0.00 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.76 1m9w n SER 57 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1m9w n HIS 58 N -1.09 0.04 0.00 0.66 8.25 -1.26 -2.58 115.22 119.24 1m9w n HIS 58 Ca 0.00 0.02 0.01 0.00 -0.26 0.00 0.00 57.72 57.48 1m9w n HIS 58 Cb 0.00 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 30.57 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 -1.54 0.39 -3.32 -0.41 0.00 -1.26 -4.94 118.16 107.07 1m9w n LYS 59 Ca 0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 58.31 57.91 1m9w n LYS 59 Cb 0.16 -1.01 -0.09 0.00 0.00 0.00 0.00 35.03 34.10 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 -2.10 1.88 0.43 3.14 0.00 -1.07 -5.05 107.32 104.56 1m9w s GLY 60 Ca -0.00 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.34 1m9w s GLY 60 CO 0.05 1.15 0.02 0.48 0.00 0.00 0.00 173.10 174.80 1m9w s LEU 61 N 2.15 2.56 -0.45 0.66 2.34 -1.26 -3.86 118.68 120.82 1m9w s LEU 61 Ca 0.13 -1.48 -0.08 0.00 0.06 0.00 0.00 54.13 52.76 1m9w s LEU 61 Cb -0.17 -0.74 0.11 0.00 -0.56 0.00 0.00 46.19 44.83 1m9w s LEU 61 CO 0.13 -0.62 0.30 0.00 -1.06 0.00 0.00 176.35 175.11 1m9w s ALA 62 N -2.86 3.34 -0.49 1.48 0.00 0.12 -4.94 121.76 118.41 1m9w s ALA 62 Ca 0.25 -2.42 0.17 0.00 0.00 0.00 0.00 51.96 49.97 1m9w s ALA 62 Cb 0.07 -2.73 -0.22 0.00 0.00 0.00 0.00 23.12 20.24 1m9w s ALA 62 CO 0.13 -1.82 0.59 1.97 0.00 0.00 0.00 175.76 176.63 1m9w n PHE 63 N 4.88 0.00 -4.71 0.00 -1.74 -1.26 -0.25 117.46 114.38 1m9w n PHE 63 Ca -0.08 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.57 1m9w n PHE 63 Cb 0.41 -0.17 -0.16 0.00 1.52 0.00 0.00 39.48 41.09 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 -2.87 1.32 -0.25 1.98 0.00 -1.26 -4.67 121.76 116.00 1m9w s ALA 64 Ca 0.01 -0.60 -0.37 0.00 0.00 0.00 0.00 51.96 51.01 1m9w s ALA 64 Cb 0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 23.12 22.69 1m9w s ALA 64 CO 0.72 0.25 1.95 0.00 0.00 0.00 0.00 175.76 178.68 1m9w n ALA 65 N 3.08 0.59 0.00 0.00 0.00 -1.26 -1.20 120.51 121.72 1m9w n ALA 65 Ca -0.17 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1m9w n ALA 65 Cb 0.54 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 5.15 1.42 3.73 0.00 0.00 0.26 -5.01 105.19 110.74 1m9w n GLY 66 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.53 2.02 0.26 1.61 2.02 -0.34 -4.67 118.70 119.07 1m9w s GLU 67 Ca 0.00 1.46 -0.21 0.00 0.02 0.00 0.00 54.97 56.24 1m9w s GLU 67 Cb 0.00 -1.85 0.05 0.00 0.10 0.00 0.00 34.13 32.43 1m9w s GLU 67 CO 0.00 -1.86 0.86 -1.54 0.02 0.00 0.00 175.26 172.74 1m9w s SER 68 N -2.70 -0.12 -0.01 -0.19 1.04 -1.26 -0.20 113.70 110.26 1m9w s SER 68 Ca 0.67 -0.72 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 1m9w s SER 68 Cb -0.22 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1m9w s SER 68 CO 0.51 -1.26 0.39 0.72 0.98 0.00 0.00 173.24 174.58 1m9w s PHE 69 N -2.99 -0.28 -0.06 5.02 -0.71 -0.28 -5.00 117.98 113.69 1m9w s PHE 69 Ca 0.15 0.40 0.03 0.00 -1.04 0.00 0.00 56.93 56.46 1m9w s PHE 69 Cb -0.04 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 1m9w s PHE 69 CO 0.07 -0.47 -0.12 -0.08 -1.34 0.00 0.00 175.22 173.28 1m9w s THR 70 N -1.56 3.22 0.16 -4.49 -1.32 -1.26 -1.91 115.64 108.48 1m9w s THR 70 Ca -0.11 -0.66 0.11 0.00 -1.21 0.00 0.00 61.69 59.82 1m9w s THR 70 Cb -0.03 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1m9w s THR 70 CO 0.04 0.59 -0.24 -0.94 -2.21 0.00 0.00 174.62 171.85 1m9w s SER 71 N -0.67 3.45 -0.21 8.08 1.04 -0.84 -4.90 113.70 119.65 1m9w s SER 71 Ca 0.10 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.65 1m9w s SER 71 Cb -0.11 -0.28 0.08 0.00 0.10 0.00 0.00 66.02 65.81 1m9w s SER 71 CO 0.01 0.15 0.48 -0.89 0.98 0.00 0.00 173.24 173.96 1m9w s THR 72 N -1.39 -0.33 0.01 2.02 2.01 -1.26 -1.56 115.64 115.15 1m9w s THR 72 Ca 0.18 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 1m9w s THR 72 Cb -0.09 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1m9w s THR 72 CO 0.08 0.04 0.08 0.72 -0.69 0.00 0.00 174.62 174.86 1m9w s PHE 73 N 2.00 0.14 -0.01 4.92 -0.12 -1.17 -4.76 117.98 118.97 1m9w s PHE 73 Ca -0.07 -0.32 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1m9w s PHE 73 Cb -0.09 -0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1m9w s PHE 73 CO -0.14 -0.27 0.78 -2.37 -0.05 0.00 0.00 175.22 173.16 1m9w n THR 74 N 1.36 0.20 -3.45 -4.49 5.66 -1.26 -1.22 114.28 111.08 1m9w n THR 74 Ca -0.22 -0.22 -0.43 0.00 -3.05 0.00 0.00 64.05 60.12 1m9w n THR 74 Cb 0.56 0.68 -0.07 0.00 -1.55 0.00 0.00 70.33 69.95 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 -0.26 2.72 -0.04 1.09 1.03 -1.26 -4.73 118.70 117.24 1m9w s GLU 75 Ca 0.02 -1.78 -0.37 0.00 0.03 0.00 0.00 54.97 52.87 1m9w s GLU 75 Cb 0.02 -4.09 -0.16 0.00 -0.80 0.00 0.00 34.13 29.10 1m9w s GLU 75 CO 0.00 -1.25 1.55 -2.30 -1.33 0.00 0.00 175.26 171.93 1m9w n PRO 76 N 5.00 1.35 -3.58 -4.83 -0.02 -1.26 -4.86 135.00 126.81 1m9w n PRO 76 Ca -0.09 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1m9w n PRO 76 Cb 0.41 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1m9w n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9w n GLY 77 N 3.33 -1.72 2.72 -1.23 0.00 0.00 -5.00 105.19 103.29 1m9w n GLY 77 Ca 0.21 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.53 0.59 -0.06 2.61 -1.32 -1.26 -0.30 115.64 113.37 1m9w s THR 78 Ca 0.00 -0.83 0.03 0.00 -1.21 0.00 0.00 61.69 59.69 1m9w s THR 78 Cb 0.00 -1.22 -0.02 0.00 -1.51 0.00 0.00 72.50 69.74 1m9w s THR 78 CO 0.00 -0.39 -0.16 -0.72 -2.21 0.00 0.00 174.62 171.15 1m9w s TYR 79 N 1.80 2.67 0.33 9.09 1.13 -0.96 -4.94 117.35 126.48 1m9w s TYR 79 Ca 0.03 -0.32 -0.21 0.00 -1.41 0.00 0.00 57.07 55.16 1m9w s TYR 79 Cb -0.17 -1.66 -0.10 0.00 -1.10 0.00 0.00 41.96 38.94 1m9w s TYR 79 CO -0.15 0.06 0.85 0.99 -2.51 0.00 0.00 175.55 174.79 1m9w s THR 80 N -0.48 4.44 0.05 -3.49 2.01 -1.26 -1.00 115.64 115.91 1m9w s THR 80 Ca 0.06 1.42 -0.10 0.00 0.31 0.00 0.00 61.69 63.37 1m9w s THR 80 Cb -0.12 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1m9w s THR 80 CO 0.02 -0.06 0.22 -0.72 -0.69 0.00 0.00 174.62 173.39 1m9w s TYR 81 N -1.85 0.03 0.27 4.92 1.13 -0.80 -0.66 117.35 120.40 1m9w s TYR 81 Ca 0.53 -0.28 -0.17 0.00 -1.41 0.00 0.00 57.07 55.75 1m9w s TYR 81 Cb -0.13 -0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.74 1m9w s TYR 81 CO 0.18 -0.48 0.61 1.52 -2.51 0.00 0.00 175.55 174.88 1m9w s TYR 82 N -2.85 0.10 -0.26 -3.49 1.13 -0.75 -0.80 117.35 110.43 1m9w s TYR 82 Ca -0.03 -0.52 -0.08 0.00 -1.41 0.00 0.00 57.07 55.03 1m9w s TYR 82 Cb 0.00 0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1m9w s TYR 82 CO -0.05 -1.15 0.09 0.00 -2.51 0.00 0.00 175.55 171.92 1m9w h GLU 84 N 8.26 -0.50 0.00 0.00 4.39 -1.88 0.80 114.58 125.65 1m9w h GLU 84 Ca -0.38 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1m9w h GLU 84 Cb 1.17 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1m9w h GLU 84 CO 0.58 -0.33 0.00 -1.00 -1.16 0.00 0.00 179.01 177.10 1m9w h PRO 85 N -0.52 0.00 -0.02 2.33 0.13 -1.91 -2.83 132.00 129.19 1m9w h PRO 85 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1m9w h PRO 85 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1m9w h PRO 85 CO -0.40 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.09 1m9w n HIS 86 N -2.90 0.04 -0.33 1.56 8.25 -0.77 -4.84 115.22 116.22 1m9w n HIS 86 Ca -0.02 -0.72 0.15 0.00 -0.26 0.00 0.00 57.72 56.88 1m9w n HIS 86 Cb 0.11 -0.10 0.35 0.00 1.12 0.00 0.00 29.99 31.47 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 0.12 0.55 0.00 -0.41 0.11 -0.60 -1.18 114.38 112.97 1m9w h ARG 87 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1m9w h ARG 87 Cb 0.74 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1m9w h ARG 87 CO 0.01 0.36 -0.70 0.41 0.10 0.00 0.00 179.97 180.15 1m9w n GLY 88 N -1.32 -1.17 0.14 0.08 0.00 -1.26 -3.89 105.19 97.77 1m9w n GLY 88 Ca 0.25 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.53 3.35 0.00 4.61 0.00 -0.52 -4.96 120.51 121.46 1m9w n ALA 89 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1m9w n ALA 89 Cb 0.34 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.41 0.95 3.29 0.00 0.00 -1.00 -4.97 105.19 104.87 1m9w n GLY 90 Ca 0.09 0.00 -0.43 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 -0.98 3.23 -3.84 1.61 0.00 -0.74 -4.82 117.12 111.58 1m9w n MET 91 Ca 0.00 -3.33 -0.12 0.00 -0.00 0.00 0.00 57.70 54.25 1m9w n MET 91 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 33.22 29.85 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 2.83 0.05 0.38 1.12 0.11 -1.26 -0.70 120.40 122.93 1m9w s VAL 92 Ca 0.48 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1m9w s VAL 92 Cb 0.05 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1m9w s VAL 92 CO 0.02 -0.24 0.70 0.61 -3.33 0.00 0.00 175.10 172.86 1m9w n GLY 93 N 1.99 1.29 2.70 6.54 0.00 0.02 -4.95 105.19 112.76 1m9w n GLY 93 Ca -0.19 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.27 0.09 0.28 1.61 2.47 -1.11 -1.90 119.74 118.90 1m9w s LYS 94 Ca 0.19 0.31 -0.06 0.00 -1.56 0.00 0.00 55.97 54.85 1m9w s LYS 94 Cb -0.04 -0.62 -0.06 0.00 -1.46 0.00 0.00 37.83 35.66 1m9w s LYS 94 CO 0.14 -0.32 0.56 0.08 0.16 0.00 0.00 175.35 175.97 1m9w s VAL 95 N 2.10 4.99 -0.08 4.02 1.01 -0.17 -3.08 120.40 129.19 1m9w s VAL 95 Ca 0.05 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 1m9w s VAL 95 Cb -0.12 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1m9w s VAL 95 CO -0.04 -0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 174.07 1m9w s VAL 96 N -2.02 0.68 -0.09 2.92 1.01 -0.04 -2.27 120.40 120.59 1m9w s VAL 96 Ca 0.45 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1m9w s VAL 96 Cb -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1m9w s VAL 96 CO 0.28 0.30 -0.14 0.68 0.00 0.00 0.00 175.10 176.22 1m9w s VAL 97 N 1.62 1.35 0.00 2.92 -7.23 0.59 -1.60 120.40 118.05 1m9w s VAL 97 Ca 0.01 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1m9w s VAL 97 Cb -0.13 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1m9w s VAL 97 CO -0.05 0.41 0.00 -1.84 -0.31 0.00 0.00 175.10 173.31