#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1w s GLN 2 N 0.00 1.47 -0.02 6.28 -0.21 -1.26 -4.48 119.66 121.44 1t1w s GLN 2 Ca 0.00 -1.13 -0.00 0.00 0.02 0.00 0.00 55.36 54.25 1t1w s GLN 2 Cb 0.00 -1.73 0.03 0.00 1.00 0.00 0.00 33.01 32.31 1t1w s GLN 2 CO 0.00 0.43 0.03 1.03 -2.12 0.00 0.00 175.29 174.66 1t1w s ARG 3 N -1.54 0.00 0.26 2.91 0.52 0.45 -4.91 118.95 116.65 1t1w s ARG 3 Ca 0.10 0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 1t1w s ARG 3 Cb -0.10 -0.30 -0.09 0.00 0.52 0.00 0.00 34.95 34.99 1t1w s ARG 3 CO 0.03 -0.17 0.98 -0.08 0.02 0.00 0.00 175.30 176.07 1t1w s THR 4 N 1.13 3.95 0.30 0.02 -1.32 -1.26 -2.01 115.64 116.46 1t1w s THR 4 Ca -0.08 1.93 -0.29 0.00 -1.21 0.00 0.00 61.69 62.04 1t1w s THR 4 Cb -0.13 -4.21 -0.10 0.00 -1.51 0.00 0.00 72.50 66.55 1t1w s THR 4 CO -0.03 0.43 1.11 -2.16 -2.21 0.00 0.00 174.62 171.77 1t1w s PRO 5 N -1.33 4.55 0.19 7.08 0.04 -1.26 -4.40 135.00 139.86 1t1w s PRO 5 Ca 0.43 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 1t1w s PRO 5 Cb -0.27 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.10 1t1w s PRO 5 CO 0.33 0.12 0.58 0.15 0.04 0.00 0.00 177.00 178.22 1t1w s LYS 6 N -1.61 3.95 -0.03 4.56 1.02 0.39 -4.91 119.74 123.12 1t1w s LYS 6 Ca 0.47 0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.97 1t1w s LYS 6 Cb -0.32 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1t1w s LYS 6 CO 0.41 0.41 -0.15 0.42 -0.92 0.00 0.00 175.35 175.51 1t1w s ILE 7 N -1.60 1.25 -0.03 2.17 -1.09 -1.26 -2.07 121.20 118.57 1t1w s ILE 7 Ca 0.42 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 58.21 1t1w s ILE 7 Cb -0.14 -1.08 0.03 0.00 -1.58 0.00 0.00 42.46 39.69 1t1w s ILE 7 CO 0.20 0.37 0.01 -1.10 -1.23 0.00 0.00 174.94 173.18 1t1w s GLN 8 N 0.02 0.28 -0.13 2.79 -0.21 -0.73 -4.99 119.66 116.69 1t1w s GLN 8 Ca -0.02 0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.49 1t1w s GLN 8 Cb -0.10 -0.53 -0.00 0.00 1.00 0.00 0.00 33.01 33.38 1t1w s GLN 8 CO 0.01 -0.18 -0.19 0.08 -2.12 0.00 0.00 175.29 172.90 1t1w s VAL 9 N 1.25 2.42 0.11 1.09 1.01 -1.26 0.03 120.40 125.04 1t1w s VAL 9 Ca -0.07 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1t1w s VAL 9 Cb -0.13 -1.99 0.08 0.00 0.00 0.00 0.00 36.38 34.34 1t1w s VAL 9 CO -0.02 0.54 0.91 -0.72 0.00 0.00 0.00 175.10 175.80 1t1w s TYR 10 N 0.64 -0.23 0.07 5.22 1.13 -0.44 -4.56 117.35 119.18 1t1w s TYR 10 Ca -0.10 -0.02 -0.01 0.00 -1.41 0.00 0.00 57.07 55.53 1t1w s TYR 10 Cb -0.16 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 1t1w s TYR 10 CO 0.02 -0.75 0.24 -1.54 -2.51 0.00 0.00 175.55 171.01 1t1w s SER 11 N -2.77 6.39 0.20 -0.18 1.04 -1.26 0.75 113.70 117.86 1t1w s SER 11 Ca 0.09 0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 1t1w s SER 11 Cb -0.01 -1.99 0.13 0.00 0.10 0.00 0.00 66.02 64.25 1t1w s SER 11 CO -0.02 0.15 1.86 -0.09 0.98 0.00 0.00 173.24 176.12 1t1w h ARG 12 N 3.08 0.91 -6.21 4.02 2.43 -1.29 -3.44 114.38 113.87 1t1w h ARG 12 Ca -0.45 -0.06 -0.60 0.00 -0.81 0.00 0.00 59.98 58.05 1t1w h ARG 12 Cb 1.16 -0.20 -0.13 0.00 -0.42 0.00 0.00 29.97 30.38 1t1w h ARG 12 CO 0.75 0.61 -0.74 -1.01 -1.51 0.00 0.00 179.97 178.07 1t1w s HIS 13 N -6.11 2.37 -0.04 2.20 3.76 -1.26 -5.04 115.29 111.18 1t1w s HIS 13 Ca -0.13 -0.31 -0.37 0.00 -0.15 0.00 0.00 55.06 54.10 1t1w s HIS 13 Cb 0.14 -1.03 -0.15 0.00 1.11 0.00 0.00 32.58 32.64 1t1w s HIS 13 CO 0.77 0.70 1.57 -2.30 -0.85 0.00 0.00 174.74 174.63 1t1w n PRO 14 N -0.66 1.44 -1.73 8.40 -0.02 -1.26 -4.83 135.00 136.33 1t1w n PRO 14 Ca -0.05 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1t1w n PRO 14 Cb 0.60 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1t1w n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t1w n ALA 15 N 4.07 2.25 -3.63 3.55 0.00 -1.26 -5.01 120.51 120.48 1t1w n ALA 15 Ca 0.21 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 1t1w n ALA 15 Cb 0.20 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.12 1t1w n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t1w s GLU 16 N -0.70 0.23 0.27 0.00 0.41 -1.26 -5.12 118.70 112.53 1t1w s GLU 16 Ca 0.63 0.81 -0.30 0.00 -0.41 0.00 0.00 54.97 55.70 1t1w s GLU 16 Cb -0.52 0.01 -0.13 0.00 -1.78 0.00 0.00 34.13 31.70 1t1w s GLU 16 CO 0.51 -0.32 1.34 0.09 -0.49 0.00 0.00 175.26 176.39 1t1w n ASN 17 N 5.37 2.63 0.00 -0.19 3.02 -1.26 -1.48 115.26 123.34 1t1w n ASN 17 Ca -0.07 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1t1w n ASN 17 Cb 0.50 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1t1w n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t1w n GLY 18 N 1.66 2.90 3.56 7.41 0.00 -0.61 -4.99 105.19 115.12 1t1w n GLY 18 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1t1w n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1w s LYS 19 N -0.04 3.75 0.26 1.61 -0.14 -0.55 -4.99 119.74 119.64 1t1w s LYS 19 Ca 0.00 -0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 1t1w s LYS 19 Cb 0.00 -3.73 -0.14 0.00 -1.68 0.00 0.00 37.83 32.28 1t1w s LYS 19 CO 0.00 -0.31 1.05 0.45 -0.76 0.00 0.00 175.35 175.78 1t1w n SER 20 N 5.10 1.32 -0.83 2.83 2.88 -1.26 -4.36 113.62 119.31 1t1w n SER 20 Ca -0.13 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1t1w n SER 20 Cb 0.51 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1t1w n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1t1w n ASN 21 N 1.44 0.00 -3.94 -3.46 2.85 0.19 -4.98 115.26 107.35 1t1w n ASN 21 Ca 0.11 -0.83 -0.21 0.00 -0.11 0.00 0.00 54.58 53.54 1t1w n ASN 21 Cb 0.30 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.16 1t1w n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1t1w s PHE 22 N -5.28 0.98 -0.26 1.20 0.40 -1.26 -1.24 117.98 112.52 1t1w s PHE 22 Ca 0.00 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1t1w s PHE 22 Cb 0.00 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 1t1w s PHE 22 CO 0.00 -0.21 0.21 -1.17 0.70 0.00 0.00 175.22 174.76 1t1w s LEU 23 N 0.76 4.07 0.09 -0.37 2.96 0.61 -0.70 118.68 126.11 1t1w s LEU 23 Ca -0.12 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1t1w s LEU 23 Cb -0.14 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1t1w s LEU 23 CO 0.01 -0.02 -0.11 0.20 -1.32 0.00 0.00 176.35 175.11 1t1w s ASN 24 N 1.44 4.32 -0.20 3.68 0.01 0.23 -1.76 114.94 122.66 1t1w s ASN 24 Ca 0.09 -0.39 -0.02 0.00 -0.71 0.00 0.00 52.86 51.83 1t1w s ASN 24 Cb -0.15 -0.81 0.06 0.00 0.41 0.00 0.00 41.25 40.76 1t1w s ASN 24 CO 0.08 0.19 0.02 0.00 -1.51 0.00 0.00 177.10 175.88 1t1w s TYR 26 N 1.79 3.19 -0.13 0.00 5.04 0.10 -1.35 117.35 125.99 1t1w s TYR 26 Ca -0.01 -0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1t1w s TYR 26 Cb -0.17 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.73 1t1w s TYR 26 CO -0.08 -0.38 -0.06 0.14 -1.34 0.00 0.00 175.55 173.83 1t1w s VAL 27 N 1.66 3.71 0.24 3.14 -7.23 -0.49 -1.77 120.40 119.67 1t1w s VAL 27 Ca 0.05 -0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 59.70 1t1w s VAL 27 Cb -0.17 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1t1w s VAL 27 CO 0.08 0.52 0.39 -0.94 -0.31 0.00 0.00 175.10 174.84 1t1w s SER 28 N 0.14 -0.01 -1.40 4.85 1.04 -0.88 -0.72 113.70 116.73 1t1w s SER 28 Ca -0.02 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1t1w s SER 28 Cb -0.14 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1t1w s SER 28 CO 0.03 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1t1w n GLY 29 N -0.36 0.03 3.69 7.32 0.00 -0.07 -0.46 105.19 115.33 1t1w n GLY 29 Ca -0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1t1w n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t1w s PHE 30 N -2.75 2.68 -0.29 1.61 -0.71 -1.19 -4.29 117.98 113.05 1t1w s PHE 30 Ca 0.00 -0.34 -0.20 0.00 -1.04 0.00 0.00 56.93 55.35 1t1w s PHE 30 Cb 0.00 -1.46 0.13 0.00 -1.21 0.00 0.00 43.02 40.48 1t1w s PHE 30 CO 0.00 0.46 0.98 -1.58 -1.34 0.00 0.00 175.22 173.74 1t1w s HIS 31 N -2.41 -0.56 1.23 3.49 2.46 -0.85 -0.99 115.29 117.67 1t1w s HIS 31 Ca 0.35 1.21 -0.20 0.00 0.47 0.00 0.00 55.06 56.89 1t1w s HIS 31 Cb -0.03 0.37 0.30 0.00 -0.13 0.00 0.00 32.58 33.09 1t1w s HIS 31 CO 0.21 -0.27 1.11 -1.25 -2.47 0.00 0.00 174.74 172.06 1t1w s PRO 32 N 0.85 -1.43 0.35 2.88 0.04 -1.26 -0.41 135.00 136.02 1t1w s PRO 32 Ca -0.04 -0.11 0.16 0.00 0.04 0.00 0.00 61.00 61.05 1t1w s PRO 32 Cb -0.04 -1.58 0.59 0.00 0.04 0.00 0.00 34.50 33.51 1t1w s PRO 32 CO -0.11 -3.84 1.70 0.66 0.04 0.00 0.00 177.00 175.45 1t1w h SER 33 N -2.67 0.00 -2.63 6.66 4.64 -1.99 -3.45 113.55 114.11 1t1w h SER 33 Ca -0.44 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.36 1t1w h SER 33 Cb 1.29 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1t1w h SER 33 CO 0.32 0.44 1.04 -1.81 -0.87 0.00 0.00 176.83 175.95 1t1w s ASP 34 N -6.57 6.45 0.01 4.97 1.01 -1.26 -4.96 116.67 116.32 1t1w s ASP 34 Ca -0.00 2.75 -0.26 0.00 0.71 0.00 0.00 52.55 55.75 1t1w s ASP 34 Cb 0.12 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.53 1t1w s ASP 34 CO 0.71 -0.96 0.58 -0.51 0.21 0.00 0.00 175.17 175.20 1t1w s ILE 35 N 2.03 0.02 -0.23 0.77 -1.16 -1.26 -4.68 121.20 116.69 1t1w s ILE 35 Ca 0.77 -0.13 -0.01 0.00 -0.51 0.00 0.00 60.65 60.76 1t1w s ILE 35 Cb -0.46 -0.96 0.02 0.00 0.61 0.00 0.00 42.46 41.67 1t1w s ILE 35 CO 0.34 -0.07 -0.09 -0.70 -2.81 0.00 0.00 174.94 171.61 1t1w s GLU 36 N -1.95 2.97 -0.10 3.50 2.12 -0.48 -5.01 118.70 119.75 1t1w s GLU 36 Ca -0.08 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.39 1t1w s GLU 36 Cb -0.01 -2.90 0.01 0.00 0.26 0.00 0.00 34.13 31.50 1t1w s GLU 36 CO 0.03 -0.32 -0.15 0.08 -0.54 0.00 0.00 175.26 174.35 1t1w s VAL 37 N 1.34 1.49 0.02 3.70 1.01 -1.26 -1.34 120.40 125.36 1t1w s VAL 37 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1t1w s VAL 37 Cb -0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1t1w s VAL 37 CO -0.06 0.44 -0.13 -1.81 0.00 0.00 0.00 175.10 173.54 1t1w s ASP 38 N 0.94 1.51 -0.14 3.32 1.01 -0.18 -4.98 116.67 118.15 1t1w s ASP 38 Ca -0.08 -0.35 -0.09 0.00 0.71 0.00 0.00 52.55 52.74 1t1w s ASP 38 Cb -0.15 -0.12 -0.05 0.00 1.01 0.00 0.00 42.92 43.61 1t1w s ASP 38 CO -0.01 0.07 0.17 -0.76 0.21 0.00 0.00 175.17 174.86 1t1w s LEU 39 N -0.77 4.32 0.05 1.23 1.43 -1.26 0.10 118.68 123.78 1t1w s LEU 39 Ca 0.02 0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.62 1t1w s LEU 39 Cb -0.06 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1t1w s LEU 39 CO 0.00 0.30 -0.19 -0.76 0.23 0.00 0.00 176.35 175.93 1t1w s LEU 40 N -0.41 2.57 -0.26 1.79 1.43 0.95 -1.26 118.68 123.49 1t1w s LEU 40 Ca 0.13 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1t1w s LEU 40 Cb -0.12 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1t1w s LEU 40 CO 0.03 0.25 -0.07 -0.75 0.23 0.00 0.00 176.35 176.03 1t1w s LYS 41 N -1.51 1.91 -1.38 1.70 2.20 0.11 -2.17 119.74 120.60 1t1w s LYS 41 Ca 0.15 -1.24 -0.06 0.00 -0.36 0.00 0.00 55.97 54.45 1t1w s LYS 41 Cb -0.10 -2.78 0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1t1w s LYS 41 CO 0.05 -0.62 0.90 0.09 -0.36 0.00 0.00 175.35 175.42 1t1w n ASN 42 N 4.52 -3.24 0.00 1.43 3.02 0.50 -1.45 115.26 120.04 1t1w n ASN 42 Ca -0.12 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1t1w n ASN 42 Cb 0.43 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 1t1w n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t1w n GLY 43 N -1.63 1.83 3.54 7.41 0.00 -1.26 -5.01 105.19 110.07 1t1w n GLY 43 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1t1w n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t1w s GLU 44 N -0.01 3.16 0.32 1.61 2.12 -0.53 -5.02 118.70 120.36 1t1w s GLU 44 Ca 0.00 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.50 1t1w s GLU 44 Cb 0.00 -2.73 -0.12 0.00 0.26 0.00 0.00 34.13 31.55 1t1w s GLU 44 CO 0.00 0.47 1.49 -2.13 -0.54 0.00 0.00 175.26 174.55 1t1w n ARG 45 N 2.82 2.54 -3.56 4.30 0.63 -1.26 0.07 116.66 122.20 1t1w n ARG 45 Ca -0.18 0.90 -0.37 0.00 -0.92 0.00 0.00 57.85 57.28 1t1w n ARG 45 Cb 0.53 -2.62 -0.07 0.00 0.45 0.00 0.00 32.46 30.75 1t1w n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1t1w s ILE 46 N -0.55 5.28 -0.10 5.15 1.01 -0.39 -4.84 121.20 126.76 1t1w s ILE 46 Ca 0.59 0.57 -0.27 0.00 0.00 0.00 0.00 60.65 61.54 1t1w s ILE 46 Cb -0.52 -3.63 -0.26 0.00 0.01 0.00 0.00 42.46 38.07 1t1w s ILE 46 CO 0.56 0.44 0.87 -0.33 0.00 0.00 0.00 174.94 176.47 1t1w h GLU 47 N 6.23 0.08 -3.81 2.79 4.39 -1.94 -3.39 114.58 118.93 1t1w h GLU 47 Ca -0.44 -0.11 -0.57 0.00 0.34 0.00 0.00 59.36 58.58 1t1w h GLU 47 Cb 1.18 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1t1w h GLU 47 CO 0.72 0.99 2.79 1.63 -1.16 0.00 0.00 179.01 183.98 1t1w n LYS 48 N -4.53 2.27 -5.03 2.33 4.76 -1.26 -4.87 118.16 111.83 1t1w n LYS 48 Ca -0.10 -1.89 -0.32 0.00 -2.87 0.00 0.00 58.31 53.12 1t1w n LYS 48 Cb 0.52 -2.80 -0.15 0.00 -1.84 0.00 0.00 35.03 30.76 1t1w n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t1w s VAL 49 N 3.70 2.58 0.41 -0.18 1.01 -1.26 -4.60 120.40 122.06 1t1w s VAL 49 Ca 0.51 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1t1w s VAL 49 Cb 0.13 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 1t1w s VAL 49 CO 0.00 0.56 0.02 -1.61 0.00 0.00 0.00 175.10 174.07 1t1w s GLU 50 N -0.04 1.99 0.02 2.72 2.02 -0.75 -4.96 118.70 119.70 1t1w s GLU 50 Ca -0.05 -2.07 -0.12 0.00 0.02 0.00 0.00 54.97 52.75 1t1w s GLU 50 Cb -0.14 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.42 1t1w s GLU 50 CO 0.04 -0.05 0.26 -3.38 0.02 0.00 0.00 175.26 172.16 1t1w s HIS 51 N -2.69 -0.07 0.99 1.61 -3.43 -1.26 -0.94 115.29 109.51 1t1w s HIS 51 Ca 0.36 -0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.47 1t1w s HIS 51 Cb 0.09 0.05 0.18 0.00 -1.43 0.00 0.00 32.58 31.47 1t1w s HIS 51 CO 0.18 -0.43 1.09 -1.54 -2.00 0.00 0.00 174.74 172.04 1t1w s SER 52 N -1.80 2.66 0.15 7.38 1.04 -0.30 -4.98 113.70 117.84 1t1w s SER 52 Ca -0.08 1.26 -0.30 0.00 0.48 0.00 0.00 55.95 57.30 1t1w s SER 52 Cb -0.03 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.10 1t1w s SER 52 CO -0.01 -3.12 1.07 -1.81 0.98 0.00 0.00 173.24 170.35 1t1w s ASP 53 N -3.40 7.32 -0.09 7.02 1.01 -1.26 -4.74 116.67 122.52 1t1w s ASP 53 Ca 0.65 2.01 -0.38 0.00 0.71 0.00 0.00 52.55 55.54 1t1w s ASP 53 Cb -0.19 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 40.99 1t1w s ASP 53 CO 0.58 -0.20 1.62 -0.11 0.21 0.00 0.00 175.17 177.27 1t1w n LEU 54 N 2.58 2.37 -4.23 1.23 7.94 -1.26 -4.96 117.00 120.67 1t1w n LEU 54 Ca 0.03 1.07 -0.17 0.00 -1.11 0.00 0.00 56.01 55.83 1t1w n LEU 54 Cb 0.47 -1.22 -0.08 0.00 0.53 0.00 0.00 43.42 43.12 1t1w n LEU 54 CO 0.53 -0.56 -0.09 -0.55 -1.11 0.00 0.00 177.39 175.61 1t1w s SER 55 N 2.39 1.24 0.15 1.96 0.15 -1.24 -5.06 113.70 113.30 1t1w s SER 55 Ca 0.91 -1.63 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 1t1w s SER 55 Cb -0.94 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1t1w s SER 55 CO 0.55 -1.05 0.32 0.72 1.20 0.00 0.00 173.24 174.98 1t1w s PHE 56 N -3.54 0.19 0.75 3.44 -0.12 -1.26 -2.06 117.98 115.38 1t1w s PHE 56 Ca 0.39 -0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1t1w s PHE 56 Cb 0.03 0.06 0.14 0.00 -0.63 0.00 0.00 43.02 42.62 1t1w s PHE 56 CO 0.23 -0.72 1.04 -1.12 -0.05 0.00 0.00 175.22 174.59 1t1w s SER 57 N -2.91 4.17 0.36 1.98 0.01 0.18 -4.92 113.70 112.56 1t1w s SER 57 Ca 0.12 -0.36 0.10 0.00 1.31 0.00 0.00 55.95 57.13 1t1w s SER 57 Cb 0.03 0.04 0.87 0.00 0.21 0.00 0.00 66.02 67.17 1t1w s SER 57 CO -0.04 -1.99 1.84 0.50 0.41 0.00 0.00 173.24 173.96 1t1w h LYS 58 N -0.66 0.62 -0.07 12.44 1.63 -2.03 0.15 116.57 128.65 1t1w h LYS 58 Ca -0.36 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1t1w h LYS 58 Cb 1.26 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1t1w h LYS 58 CO 0.39 0.41 0.00 -0.40 -3.45 0.00 0.00 179.45 176.40 1t1w n ASP 59 N -4.60 0.44 0.00 4.20 5.75 -1.26 -4.89 116.55 116.20 1t1w n ASP 59 Ca 0.20 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1t1w n ASP 59 Cb 0.56 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1t1w n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1t1w n TRP 60 N -0.32 0.00 -2.30 2.11 7.02 0.54 -5.01 117.44 119.49 1t1w n TRP 60 Ca 0.06 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.16 1t1w n TRP 60 Cb 0.09 -0.21 -0.02 0.00 -2.42 0.00 0.00 31.31 28.75 1t1w n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1t1w s SER 61 N -3.32 6.40 0.56 -0.99 1.04 -1.26 -4.64 113.70 111.49 1t1w s SER 61 Ca 0.00 2.31 -0.07 0.00 0.48 0.00 0.00 55.95 58.67 1t1w s SER 61 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 1t1w s SER 61 CO 0.00 -0.76 0.90 -0.36 0.98 0.00 0.00 173.24 174.00 1t1w s PHE 62 N -1.49 3.47 -0.10 5.02 0.08 -0.16 -0.65 117.98 124.15 1t1w s PHE 62 Ca 0.60 0.88 -0.14 0.00 0.12 0.00 0.00 56.93 58.40 1t1w s PHE 62 Cb -0.29 -2.58 0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1t1w s PHE 62 CO 0.36 -0.60 0.35 1.52 -0.10 0.00 0.00 175.22 176.76 1t1w s TYR 63 N -2.96 -0.34 -0.05 0.36 1.13 -0.87 -0.89 117.35 113.72 1t1w s TYR 63 Ca 0.52 0.78 -0.08 0.00 -1.41 0.00 0.00 57.07 56.88 1t1w s TYR 63 Cb -0.11 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1t1w s TYR 63 CO 0.47 -0.25 0.21 -0.51 -2.51 0.00 0.00 175.55 172.96 1t1w s LEU 64 N -0.25 1.24 -0.22 -3.49 1.43 0.10 -3.60 118.68 113.89 1t1w s LEU 64 Ca -0.04 0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1t1w s LEU 64 Cb -0.03 0.77 -0.01 0.00 0.03 0.00 0.00 46.19 46.95 1t1w s LEU 64 CO 0.02 -0.18 -0.04 -0.22 0.23 0.00 0.00 176.35 176.16 1t1w s LEU 65 N -0.38 2.92 -0.12 1.79 2.96 -1.26 -1.39 118.68 123.19 1t1w s LEU 65 Ca -0.05 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1t1w s LEU 65 Cb -0.03 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1t1w s LEU 65 CO 0.01 -0.02 0.04 -0.31 -1.32 0.00 0.00 176.35 174.76 1t1w s TYR 66 N 1.47 3.27 0.02 5.38 1.51 -0.46 -1.16 117.35 127.38 1t1w s TYR 66 Ca 0.06 0.21 -0.14 0.00 -1.01 0.00 0.00 57.07 56.19 1t1w s TYR 66 Cb -0.14 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1t1w s TYR 66 CO -0.03 0.43 0.29 1.52 -1.11 0.00 0.00 175.55 176.65 1t1w s TYR 67 N -0.55 -0.12 -0.02 2.71 1.13 -0.11 -0.78 117.35 119.60 1t1w s TYR 67 Ca 0.10 0.07 -0.09 0.00 -1.41 0.00 0.00 57.07 55.75 1t1w s TYR 67 Cb -0.12 0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1t1w s TYR 67 CO 0.02 -0.44 0.19 -0.08 -2.51 0.00 0.00 175.55 172.73 1t1w s THR 68 N -1.99 0.06 -0.08 -3.49 -1.32 -0.72 -1.81 115.64 106.29 1t1w s THR 68 Ca -0.09 -0.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.64 1t1w s THR 68 Cb -0.03 -0.43 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 1t1w s THR 68 CO 0.00 -0.26 0.93 -0.70 -2.21 0.00 0.00 174.62 172.38 1t1w s GLU 69 N -0.99 4.45 0.22 7.08 2.12 -1.26 -0.28 118.70 130.03 1t1w s GLU 69 Ca -0.11 1.27 -0.08 0.00 0.36 0.00 0.00 54.97 56.41 1t1w s GLU 69 Cb -0.06 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 1t1w s GLU 69 CO 0.02 -0.17 0.31 -0.59 -0.54 0.00 0.00 175.26 174.29 1t1w s PHE 70 N 1.53 0.66 -0.27 5.30 -0.71 -0.38 -4.92 117.98 119.20 1t1w s PHE 70 Ca 0.46 -0.98 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 1t1w s PHE 70 Cb -0.19 -0.13 0.08 0.00 -1.21 0.00 0.00 43.02 41.57 1t1w s PHE 70 CO 0.20 -0.82 0.02 0.99 -1.34 0.00 0.00 175.22 174.28 1t1w s THR 71 N -4.06 1.28 0.50 -4.49 2.01 -1.26 0.52 115.64 110.13 1t1w s THR 71 Ca 0.28 -1.33 -0.23 0.00 0.31 0.00 0.00 61.69 60.72 1t1w s THR 71 Cb 0.03 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1t1w s THR 71 CO 0.09 -0.36 1.28 -2.16 -0.69 0.00 0.00 174.62 172.77 1t1w s PRO 72 N 1.47 3.48 0.29 4.92 0.04 -1.26 -4.80 135.00 139.14 1t1w s PRO 72 Ca 0.02 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1t1w s PRO 72 Cb -0.18 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 1t1w s PRO 72 CO -0.12 -0.86 0.05 0.95 0.04 0.00 0.00 177.00 177.06 1t1w s THR 73 N -1.40 1.05 0.12 1.26 -4.23 -1.26 -1.57 115.64 109.61 1t1w s THR 73 Ca 0.67 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1t1w s THR 73 Cb -0.35 -2.68 0.28 0.00 1.34 0.00 0.00 72.50 71.09 1t1w s THR 73 CO 0.43 -0.06 1.87 -0.08 -0.54 0.00 0.00 174.62 176.23 1t1w h GLU 74 N 2.24 0.00 0.00 3.99 4.81 -1.98 -3.36 114.58 120.27 1t1w h GLU 74 Ca -0.40 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.56 1t1w h GLU 74 Cb 1.24 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1t1w h GLU 74 CO 0.67 0.16 -1.85 0.36 -0.73 0.00 0.00 179.01 177.62 1t1w n LYS 75 N -3.32 0.56 -1.58 1.92 2.85 -1.26 -5.00 118.16 112.34 1t1w n LYS 75 Ca 0.00 0.27 -0.51 0.00 -1.05 0.00 0.00 58.31 57.03 1t1w n LYS 75 Cb 0.40 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.24 1t1w n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t1w n ASP 76 N -4.35 1.41 -4.70 -5.58 8.00 -1.26 -4.98 116.55 105.09 1t1w n ASP 76 Ca -0.37 1.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.92 1t1w n ASP 76 Cb 0.72 -1.19 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 1t1w n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t1w s GLU 77 N 0.02 2.94 0.11 -1.24 0.41 -1.26 -4.69 118.70 114.99 1t1w s GLU 77 Ca 0.79 -0.48 0.08 0.00 -0.41 0.00 0.00 54.97 54.94 1t1w s GLU 77 Cb -0.91 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 28.63 1t1w s GLU 77 CO 0.50 0.67 -0.19 0.71 -0.49 0.00 0.00 175.26 176.46 1t1w s TYR 78 N -1.00 1.67 0.26 1.61 2.02 -1.26 -0.37 117.35 120.27 1t1w s TYR 78 Ca 0.17 -0.45 -0.20 0.00 -0.37 0.00 0.00 57.07 56.22 1t1w s TYR 78 Cb -0.11 -0.90 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1t1w s TYR 78 CO 0.07 0.20 0.67 0.00 -1.57 0.00 0.00 175.55 174.92 1t1w s ALA 79 N -1.42 -1.13 -0.10 3.71 0.00 -0.92 -0.57 121.76 121.32 1t1w s ALA 79 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1t1w s ALA 79 Cb -0.09 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1t1w s ALA 79 CO 0.04 -0.98 -0.19 0.00 0.00 0.00 0.00 175.76 174.64 1t1w s ARG 81 N 0.67 3.79 -0.05 0.00 3.52 0.11 -1.18 118.95 125.81 1t1w s ARG 81 Ca -0.13 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1t1w s ARG 81 Cb -0.16 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1t1w s ARG 81 CO 0.03 0.14 -0.15 0.08 -0.81 0.00 0.00 175.30 174.60 1t1w s VAL 82 N 0.69 1.30 -0.04 7.11 1.01 0.85 -1.01 120.40 130.30 1t1w s VAL 82 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1t1w s VAL 82 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1t1w s VAL 82 CO 0.02 0.38 -0.10 0.21 0.00 0.00 0.00 175.10 175.61 1t1w s ASN 83 N 0.29 1.41 0.09 3.32 2.47 -0.45 0.27 114.94 122.34 1t1w s ASN 83 Ca -0.08 -0.22 -0.09 0.00 0.42 0.00 0.00 52.86 52.88 1t1w s ASN 83 Cb -0.13 -0.48 -0.00 0.00 -1.45 0.00 0.00 41.25 39.19 1t1w s ASN 83 CO 0.03 0.05 0.19 -2.28 -3.72 0.00 0.00 177.10 171.37 1t1w s HIS 84 N 0.36 0.15 0.49 0.43 5.65 -1.26 -1.38 115.29 119.73 1t1w s HIS 84 Ca -0.07 -0.57 0.21 0.00 0.25 0.00 0.00 55.06 54.88 1t1w s HIS 84 Cb -0.11 -0.06 1.25 0.00 -1.18 0.00 0.00 32.58 32.47 1t1w s HIS 84 CO 0.01 -0.54 1.97 -0.24 -0.65 0.00 0.00 174.74 175.30 1t1w h VAL 85 N 2.79 0.78 0.00 0.89 3.04 -1.95 0.69 116.25 122.48 1t1w h VAL 85 Ca -0.34 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1t1w h VAL 85 Cb 1.20 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1t1w h VAL 85 CO 0.56 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.50 1t1w n THR 86 N -4.42 0.25 -3.72 3.17 -2.24 -1.26 -4.80 114.28 101.26 1t1w n THR 86 Ca 0.11 0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.60 1t1w n THR 86 Cb 0.55 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 1t1w n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1t1w s LEU 87 N -2.91 4.23 0.20 3.22 1.43 0.23 -4.98 118.68 120.11 1t1w s LEU 87 Ca 0.15 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 1t1w s LEU 87 Cb 0.17 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 44.38 1t1w s LEU 87 CO 0.44 0.20 1.71 0.28 0.23 0.00 0.00 176.35 179.21 1t1w h SER 88 N 6.49 1.06 -5.14 2.29 0.02 -1.87 -3.44 113.55 112.96 1t1w h SER 88 Ca -0.43 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.19 1t1w h SER 88 Cb 1.16 -0.28 -0.16 0.00 0.14 0.00 0.00 62.40 63.26 1t1w h SER 88 CO 0.74 1.01 -0.48 0.00 -1.14 0.00 0.00 176.83 176.97 1t1w s GLN 89 N -5.32 0.70 0.25 3.45 -2.07 -1.26 -5.13 119.66 110.28 1t1w s GLN 89 Ca -0.12 -0.91 -0.30 0.00 -1.82 0.00 0.00 55.36 52.21 1t1w s GLN 89 Cb 0.15 0.28 -0.14 0.00 -1.09 0.00 0.00 33.01 32.20 1t1w s GLN 89 CO 0.84 -0.19 1.25 -2.30 -1.32 0.00 0.00 175.29 173.57 1t1w n PRO 90 N 0.31 1.72 -3.83 9.60 -0.02 -1.26 -4.92 135.00 136.59 1t1w n PRO 90 Ca -0.16 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 1t1w n PRO 90 Cb 0.61 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1t1w n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1t1w s LYS 91 N -0.92 3.59 -0.15 -0.52 2.20 0.14 -4.90 119.74 119.18 1t1w s LYS 91 Ca 0.65 -0.10 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1t1w s LYS 91 Cb -0.69 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.41 1t1w s LYS 91 CO 0.55 0.70 -0.20 0.42 -0.36 0.00 0.00 175.35 176.45 1t1w s ILE 92 N -0.81 2.16 -0.25 5.43 -1.09 -1.26 -0.11 121.20 125.28 1t1w s ILE 92 Ca 0.15 -0.94 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 1t1w s ILE 92 Cb -0.12 -1.88 0.05 0.00 -1.58 0.00 0.00 42.46 38.93 1t1w s ILE 92 CO 0.04 0.54 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.48 1t1w s VAL 93 N 0.90 2.21 0.45 2.92 1.01 -0.33 -4.96 120.40 122.60 1t1w s VAL 93 Ca -0.05 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 1t1w s VAL 93 Cb -0.15 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 1t1w s VAL 93 CO -0.03 0.09 1.04 -0.75 0.00 0.00 0.00 175.10 175.45 1t1w s LYS 94 N 1.15 3.97 -0.01 2.72 2.20 -1.26 -0.81 119.74 127.70 1t1w s LYS 94 Ca -0.06 1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 1t1w s LYS 94 Cb -0.18 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 1t1w s LYS 94 CO -0.06 -0.30 0.97 -0.46 -0.36 0.00 0.00 175.35 175.14 1t1w s TRP 95 N -1.85 3.65 -0.20 4.03 -0.00 0.26 -4.89 118.94 119.95 1t1w s TRP 95 Ca 0.63 1.67 0.00 0.00 -0.00 0.00 0.00 56.10 58.41 1t1w s TRP 95 Cb -0.19 -3.11 0.02 0.00 -0.00 0.00 0.00 33.47 30.19 1t1w s TRP 95 CO 0.23 -0.02 -0.16 0.34 -0.00 0.00 0.00 176.95 177.34 1t1w s ASP 96 N 1.01 3.48 0.48 5.86 -1.08 -1.26 -4.80 116.67 120.36 1t1w s ASP 96 Ca 0.51 -0.68 0.24 0.00 -0.52 0.00 0.00 52.55 52.10 1t1w s ASP 96 Cb -0.21 -1.54 1.28 0.00 -1.46 0.00 0.00 42.92 41.00 1t1w s ASP 96 CO 0.27 -0.03 1.88 0.03 0.52 0.00 0.00 175.17 177.84 1t1w h ARG 97 N 7.96 0.19 -0.68 4.34 3.08 -1.96 -1.51 114.38 125.80 1t1w h ARG 97 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1t1w h ARG 97 Cb 1.13 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1t1w h ARG 97 CO 0.62 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 179.39 1t1w n ASP 98 N -4.40 4.20 0.00 7.04 8.00 -1.26 -4.73 116.55 125.40 1t1w n ASP 98 Ca 0.18 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 53.10 1t1w n ASP 98 Cb 0.81 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1t1w n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04