#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxd s ASN 2 N 0.00 6.50 0.61 0.00 2.20 -1.26 -4.92 114.94 118.07 1jxd s ASN 2 Ca 0.00 2.09 -0.16 0.00 -0.94 0.00 0.00 52.86 53.85 1jxd s ASN 2 Cb 0.00 -2.58 -0.03 0.00 -2.00 0.00 0.00 41.25 36.64 1jxd s ASN 2 CO 0.00 -0.67 1.07 0.00 -2.94 0.00 0.00 177.10 174.56 1jxd s ALA 3 N -1.69 2.67 -0.17 3.54 0.00 -1.23 -4.87 121.76 120.01 1jxd s ALA 3 Ca 0.61 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1jxd s ALA 3 Cb -0.23 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1jxd s ALA 3 CO 0.28 -0.93 -0.10 0.99 0.00 0.00 0.00 175.76 176.00 1jxd s THR 4 N -2.39 1.43 0.18 0.00 2.01 -1.26 -1.07 115.64 114.54 1jxd s THR 4 Ca 0.65 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1jxd s THR 4 Cb -0.18 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1jxd s THR 4 CO 0.38 0.27 0.25 -0.69 -0.69 0.00 0.00 174.62 174.14 1jxd s VAL 5 N 1.51 5.02 -0.08 3.82 1.01 -0.39 -4.49 120.40 126.80 1jxd s VAL 5 Ca 0.02 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1jxd s VAL 5 Cb -0.15 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1jxd s VAL 5 CO -0.09 -0.17 -0.23 -1.59 0.00 0.00 0.00 175.10 173.02 1jxd s LYS 6 N -3.42 2.71 -1.29 2.72 -2.85 0.11 -0.67 119.74 117.06 1jxd s LYS 6 Ca 0.33 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 54.29 1jxd s LYS 6 Cb -0.10 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 1jxd s LYS 6 CO 0.27 0.25 2.06 -1.33 0.10 0.00 0.00 175.35 176.69 1jxd n MET 7 N 3.31 2.60 0.00 1.78 2.81 -0.07 -2.91 117.12 124.65 1jxd n MET 7 Ca -0.19 -2.60 0.00 0.00 -1.81 0.00 0.00 57.70 53.11 1jxd n MET 7 Cb 0.53 -3.29 0.00 0.00 -0.71 0.00 0.00 33.22 29.74 1jxd n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jxd n GLY 8 N 4.55 3.22 3.77 3.03 0.00 -0.57 -4.07 105.19 115.12 1jxd n GLY 8 Ca 0.51 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1jxd n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jxd s SER 9 N 0.00 6.30 -1.08 1.61 1.04 -0.00 -4.83 113.70 116.74 1jxd s SER 9 Ca 0.00 2.93 -0.18 0.00 0.48 0.00 0.00 55.95 59.18 1jxd s SER 9 Cb 0.00 -2.66 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 1jxd s SER 9 CO 0.00 -0.89 2.08 -0.90 0.98 0.00 0.00 173.24 174.51 1jxd n ASP 10 N 0.33 3.24 0.00 7.02 5.68 -1.26 -3.41 116.55 128.15 1jxd n ASP 10 Ca 0.02 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.57 1jxd n ASP 10 Cb 0.41 -1.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.04 1jxd n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1jxd n SER 11 N 6.76 0.00 0.00 -1.12 2.88 -1.26 -5.08 113.62 115.79 1jxd n SER 11 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1jxd n SER 11 Cb 0.39 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1jxd n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jxd n GLY 12 N -0.81 0.00 2.84 0.46 0.00 -1.22 -5.02 105.19 101.44 1jxd n GLY 12 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1jxd n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxd s ALA 13 N 0.00 0.41 -0.88 4.61 0.00 -1.26 -5.02 121.76 119.62 1jxd s ALA 13 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 1jxd s ALA 13 Cb 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1jxd s ALA 13 CO 0.00 -0.05 1.34 -0.48 0.00 0.00 0.00 175.76 176.58 1jxd s LEU 14 N 0.97 3.43 -0.01 0.00 2.34 -1.26 -0.82 118.68 123.33 1jxd s LEU 14 Ca -0.10 -1.01 0.03 0.00 0.06 0.00 0.00 54.13 53.11 1jxd s LEU 14 Cb -0.14 -2.55 -0.01 0.00 -0.56 0.00 0.00 46.19 42.93 1jxd s LEU 14 CO -0.01 -1.64 -0.11 0.68 -1.06 0.00 0.00 176.35 174.20 1jxd s VAL 15 N 5.21 0.91 -0.21 1.48 -7.23 -1.26 -4.76 120.40 114.53 1jxd s VAL 15 Ca 0.40 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 1jxd s VAL 15 Cb -0.04 -0.77 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1jxd s VAL 15 CO 0.02 0.26 1.09 -0.36 -0.31 0.00 0.00 175.10 175.79 1jxd s PHE 16 N -0.21 3.24 -0.04 2.82 0.08 -1.26 -1.51 117.98 121.11 1jxd s PHE 16 Ca 0.03 1.38 0.01 0.00 0.12 0.00 0.00 56.93 58.47 1jxd s PHE 16 Cb -0.05 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.10 1jxd s PHE 16 CO -0.00 -0.73 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.36 1jxd s GLU 17 N 3.22 0.65 0.30 0.44 2.12 -1.14 -2.65 118.70 121.64 1jxd s GLU 17 Ca 0.46 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 1jxd s GLU 17 Cb -0.16 -0.70 -0.10 0.00 0.26 0.00 0.00 34.13 33.42 1jxd s GLU 17 CO 0.08 -0.08 1.43 -2.14 -0.54 0.00 0.00 175.26 174.02 1jxd s PRO 18 N 0.85 4.24 0.40 4.30 0.02 -1.26 -0.71 135.00 142.84 1jxd s PRO 18 Ca -0.10 2.36 0.28 0.00 0.02 0.00 0.00 61.00 63.56 1jxd s PRO 18 Cb -0.13 -3.06 1.09 0.00 0.02 0.00 0.00 34.50 32.41 1jxd s PRO 18 CO -0.00 -0.41 1.83 0.66 -0.33 0.00 0.00 177.00 178.75 1jxd h SER 19 N 4.25 0.00 -3.35 2.53 4.64 -1.86 -3.41 113.55 116.35 1jxd h SER 19 Ca -0.48 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.58 1jxd h SER 19 Cb 1.22 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.98 1jxd h SER 19 CO 0.73 0.00 -0.61 -0.89 -0.87 0.00 0.00 176.83 175.18 1jxd s THR 20 N -3.45 -0.10 0.07 2.95 2.01 -1.26 -0.84 115.64 115.02 1jxd s THR 20 Ca 0.04 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.35 1jxd s THR 20 Cb 0.09 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1jxd s THR 20 CO 0.50 0.09 -0.23 0.68 -0.69 0.00 0.00 174.62 174.98 1jxd s VAL 21 N 1.46 1.85 -0.17 3.82 -7.23 -1.10 -5.01 120.40 114.02 1jxd s VAL 21 Ca -0.06 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1jxd s VAL 21 Cb -0.12 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.23 1jxd s VAL 21 CO -0.06 0.15 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.91 1jxd s THR 22 N -0.94 1.31 0.23 5.32 2.01 -1.26 -1.42 115.64 120.89 1jxd s THR 22 Ca 0.09 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 1jxd s THR 22 Cb -0.10 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1jxd s THR 22 CO 0.03 0.22 0.23 0.27 -0.69 0.00 0.00 174.62 174.68 1jxd s ILE 23 N 1.56 0.00 0.21 1.82 -5.25 -1.16 -5.01 121.20 113.36 1jxd s ILE 23 Ca 0.01 -1.86 -0.09 0.00 -0.99 0.00 0.00 60.65 57.72 1jxd s ILE 23 Cb -0.15 -2.45 -0.07 0.00 2.95 0.00 0.00 42.46 42.74 1jxd s ILE 23 CO -0.08 0.00 0.52 -0.54 -1.79 0.00 0.00 174.94 173.05 1jxd s LYS 24 N -4.01 3.79 -0.25 0.37 1.02 -1.26 -0.78 119.74 118.62 1jxd s LYS 24 Ca 0.35 0.24 -0.32 0.00 0.02 0.00 0.00 55.97 56.27 1jxd s LYS 24 Cb 0.05 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 1jxd s LYS 24 CO 0.13 0.35 2.15 0.00 -0.92 0.00 0.00 175.35 177.07 1jxd n ALA 25 N -0.02 1.33 0.00 5.17 0.00 -1.26 -1.32 120.51 124.41 1jxd n ALA 25 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jxd n ALA 25 Cb 0.52 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1jxd n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxd n GLY 26 N 5.88 2.47 3.84 0.00 0.00 -0.18 -4.92 105.19 112.28 1jxd n GLY 26 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 1jxd n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jxd s GLU 27 N -0.29 0.04 0.41 1.61 2.12 -0.44 -4.75 118.70 117.39 1jxd s GLU 27 Ca 0.00 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.03 1jxd s GLU 27 Cb 0.00 -1.77 -0.07 0.00 0.26 0.00 0.00 34.13 32.55 1jxd s GLU 27 CO 0.00 -2.82 0.02 -1.83 -0.54 0.00 0.00 175.26 170.09 1jxd s GLU 28 N -5.78 1.93 -0.01 4.30 1.03 -1.26 -0.84 118.70 118.06 1jxd s GLU 28 Ca 0.74 -2.11 0.01 0.00 0.03 0.00 0.00 54.97 53.63 1jxd s GLU 28 Cb -0.05 -1.42 0.01 0.00 -0.80 0.00 0.00 34.13 31.87 1jxd s GLU 28 CO 0.54 -0.14 -0.01 0.08 -1.33 0.00 0.00 175.26 174.40 1jxd s VAL 29 N -2.88 0.15 0.06 1.83 1.01 -0.20 -3.57 120.40 116.81 1jxd s VAL 29 Ca 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1jxd s VAL 29 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 1jxd s VAL 29 CO 0.15 0.08 0.16 -0.75 0.00 0.00 0.00 175.10 174.74 1jxd s LYS 30 N 0.33 3.24 0.03 2.72 2.20 -0.23 -1.21 119.74 126.82 1jxd s LYS 30 Ca -0.03 -0.52 0.09 0.00 -0.36 0.00 0.00 55.97 55.15 1jxd s LYS 30 Cb -0.05 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 1jxd s LYS 30 CO -0.01 0.60 -0.25 -1.58 -0.36 0.00 0.00 175.35 173.75 1jxd s TRP 31 N -1.45 2.37 -0.14 4.03 0.51 -0.03 -1.26 118.94 122.96 1jxd s TRP 31 Ca 0.32 -0.39 -0.03 0.00 -2.12 0.00 0.00 56.10 53.88 1jxd s TRP 31 Cb -0.13 -1.43 -0.03 0.00 -0.81 0.00 0.00 33.47 31.08 1jxd s TRP 31 CO 0.25 0.11 -0.04 0.08 -0.51 0.00 0.00 176.95 176.84 1jxd s VAL 32 N -0.78 3.89 0.36 4.03 1.01 0.16 -1.74 120.40 127.34 1jxd s VAL 32 Ca 0.12 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1jxd s VAL 32 Cb -0.10 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 1jxd s VAL 32 CO 0.02 0.51 1.00 0.21 0.00 0.00 0.00 175.10 176.84 1jxd s ASN 33 N 0.16 7.05 0.00 3.32 2.47 -0.98 -0.89 114.94 126.07 1jxd s ASN 33 Ca -0.02 1.94 0.00 0.00 0.42 0.00 0.00 52.86 55.21 1jxd s ASN 33 Cb -0.14 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1jxd s ASN 33 CO 0.03 -0.28 0.00 0.59 -3.72 0.00 0.00 177.10 173.72 1jxd n ASN 34 N 0.25 0.00 -4.10 -4.21 3.02 -1.26 -4.47 115.26 104.49 1jxd n ASN 34 Ca 0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.48 1jxd n ASN 34 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 1jxd n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jxd s LYS 35 N 0.00 1.37 -1.28 3.52 -0.14 -1.26 -4.81 119.74 117.14 1jxd s LYS 35 Ca 0.00 -1.45 -0.03 0.00 -1.36 0.00 0.00 55.97 53.13 1jxd s LYS 35 Cb 0.00 0.37 0.00 0.00 -1.68 0.00 0.00 37.83 36.52 1jxd s LYS 35 CO 0.00 -0.51 0.37 1.28 -0.76 0.00 0.00 175.35 175.73 1jxd n LEU 36 N -0.32 -2.29 -4.77 3.17 4.77 -1.26 -4.79 117.00 111.50 1jxd n LEU 36 Ca 0.00 -0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 1jxd n LEU 36 Cb 0.64 -2.46 0.09 0.00 -2.33 0.00 0.00 43.42 39.36 1jxd n LEU 36 CO 0.28 0.10 0.70 -0.94 -1.33 0.00 0.00 177.39 176.20 1jxd s SER 37 N -2.65 4.58 0.56 -1.43 1.04 -1.26 -4.58 113.70 109.97 1jxd s SER 37 Ca 0.18 1.73 -0.18 0.00 0.48 0.00 0.00 55.95 58.17 1jxd s SER 37 Cb -0.08 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1jxd s SER 37 CO 0.23 -1.97 1.07 -2.16 0.98 0.00 0.00 173.24 171.38 1jxd s PRO 38 N -4.94 3.41 0.20 4.02 0.04 -1.26 -5.13 135.00 131.34 1jxd s PRO 38 Ca 0.61 1.35 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1jxd s PRO 38 Cb -0.16 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1jxd s PRO 38 CO 0.56 -0.75 -0.15 -1.01 0.04 0.00 0.00 177.00 175.69 1jxd s HIS 39 N -2.17 1.72 0.29 0.56 3.76 -1.26 -4.95 115.29 113.24 1jxd s HIS 39 Ca 0.67 -0.56 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1jxd s HIS 39 Cb -0.18 -0.81 -0.06 0.00 1.11 0.00 0.00 32.58 32.64 1jxd s HIS 39 CO 0.30 0.36 0.07 0.54 -0.85 0.00 0.00 174.74 175.16 1jxd s ASN 40 N -3.24 1.89 -0.40 1.40 2.20 -1.26 -3.33 114.94 112.21 1jxd s ASN 40 Ca 0.22 -1.37 0.03 0.00 -0.94 0.00 0.00 52.86 50.80 1jxd s ASN 40 Cb -0.01 0.01 0.11 0.00 -2.00 0.00 0.00 41.25 39.36 1jxd s ASN 40 CO 0.07 -0.64 0.12 -0.63 -2.94 0.00 0.00 177.10 173.08 1jxd s ILE 41 N -3.47 2.45 -0.29 0.54 1.01 -1.07 -4.06 121.20 116.30 1jxd s ILE 41 Ca 0.36 -2.59 -0.03 0.00 0.00 0.00 0.00 60.65 58.39 1jxd s ILE 41 Cb 0.08 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.82 1jxd s ILE 41 CO 0.14 -0.66 0.01 -0.69 0.00 0.00 0.00 174.94 173.74 1jxd s VAL 42 N 0.59 3.18 -0.23 2.92 1.01 0.04 -0.90 120.40 127.02 1jxd s VAL 42 Ca 0.12 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.66 1jxd s VAL 42 Cb -0.21 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1jxd s VAL 42 CO -0.06 -0.02 0.91 -0.36 0.00 0.00 0.00 175.10 175.57 1jxd s PHE 43 N 1.32 3.33 0.40 5.22 0.08 -1.26 -1.66 117.98 125.41 1jxd s PHE 43 Ca -0.03 1.28 -0.24 0.00 0.12 0.00 0.00 56.93 58.06 1jxd s PHE 43 Cb -0.19 -3.13 -0.09 0.00 -0.57 0.00 0.00 43.02 39.04 1jxd s PHE 43 CO -0.01 -0.42 1.05 0.00 -0.10 0.00 0.00 175.22 175.74 1jxd s ALA 44 N 2.92 3.08 -1.10 5.36 0.00 -0.44 -4.70 121.76 126.88 1jxd s ALA 44 Ca 0.39 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1jxd s ALA 44 Cb -0.15 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1jxd s ALA 44 CO 0.07 -0.22 2.16 0.00 0.00 0.00 0.00 175.76 177.77 1jxd n ALA 45 N -0.11 4.69 -2.02 0.00 0.00 -1.26 -3.93 120.51 117.88 1jxd n ALA 45 Ca 0.05 -3.30 -0.41 0.00 0.00 0.00 0.00 53.44 49.78 1jxd n ALA 45 Cb 0.50 -3.48 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 1jxd n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jxd n ASP 46 N 6.11 5.87 0.00 0.00 2.03 -1.26 -3.97 116.55 125.32 1jxd n ASP 46 Ca 0.53 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.84 1jxd n ASP 46 Cb 0.34 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 1jxd n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jxd n GLY 47 N 2.93 3.11 3.85 0.27 0.00 -1.26 -4.70 105.19 109.38 1jxd n GLY 47 Ca 0.52 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1jxd n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jxd s VAL 48 N -0.84 2.49 0.56 1.61 0.11 -1.25 -5.02 120.40 118.05 1jxd s VAL 48 Ca 0.00 0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.03 1jxd s VAL 48 Cb 0.00 -3.04 -0.05 0.00 -1.53 0.00 0.00 36.38 31.76 1jxd s VAL 48 CO 0.00 -0.21 1.06 -1.81 -3.33 0.00 0.00 175.10 170.82 1jxd s ASP 49 N -4.25 5.91 0.10 3.54 1.11 -1.26 -4.69 116.67 117.13 1jxd s ASP 49 Ca 0.62 1.91 -0.28 0.00 0.18 0.00 0.00 52.55 54.97 1jxd s ASP 49 Cb -0.13 -2.55 -0.12 0.00 1.07 0.00 0.00 42.92 41.19 1jxd s ASP 49 CO 0.52 -1.08 1.64 0.00 1.18 0.00 0.00 175.17 177.43 1jxd h ALA 50 N 0.87 -0.54 -0.30 5.23 0.00 -1.96 -1.44 119.26 121.13 1jxd h ALA 50 Ca -0.48 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.37 1jxd h ALA 50 Cb 1.23 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1jxd h ALA 50 CO 0.58 -0.83 0.14 -0.44 0.00 0.00 0.00 179.25 178.69 1jxd h ASP 51 N -0.55 0.20 -0.04 0.00 5.19 -1.99 0.72 116.42 119.94 1jxd h ASP 51 Ca -0.01 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1jxd h ASP 51 Cb 0.51 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1jxd h ASP 51 CO -0.05 0.15 0.02 0.00 -3.12 0.00 0.00 179.24 176.24 1jxd h THR 52 N 0.29 1.12 -0.91 0.35 1.03 -1.94 -0.91 112.91 111.95 1jxd h THR 52 Ca 0.13 -0.36 0.13 0.00 -0.01 0.00 0.00 66.41 66.30 1jxd h THR 52 Cb 0.05 1.28 -0.09 0.00 -1.07 0.00 0.00 68.15 68.33 1jxd h THR 52 CO -0.10 0.10 0.52 0.00 -0.01 0.00 0.00 175.52 176.04 1jxd h ALA 53 N 0.87 1.37 0.50 0.00 0.00 -0.86 -0.50 119.26 120.64 1jxd h ALA 53 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jxd h ALA 53 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jxd h ALA 53 CO -0.00 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.06 1jxd h ALA 54 N 1.54 -0.67 -0.48 0.00 0.00 -0.53 -1.30 119.26 117.81 1jxd h ALA 54 Ca 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jxd h ALA 54 Cb 0.56 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1jxd h ALA 54 CO -0.31 -0.81 0.22 -0.22 0.00 0.00 0.00 179.25 178.14 1jxd h LYS 55 N -0.81 0.68 0.00 0.00 3.64 -0.66 0.14 116.57 119.56 1jxd h LYS 55 Ca -0.07 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1jxd h LYS 55 Cb 0.57 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jxd h LYS 55 CO 0.11 0.54 0.00 -0.07 -2.27 0.00 0.00 179.45 177.76 1jxd h LEU 56 N 0.68 0.00-10.30 5.20 4.07 -1.04 -3.46 115.31 110.46 1jxd h LEU 56 Ca 0.17 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.62 1jxd h LEU 56 Cb 0.09 0.00 0.09 0.00 1.08 0.00 0.00 40.66 41.93 1jxd h LEU 56 CO -0.02 0.00 0.36 -0.44 -1.08 0.00 0.00 178.44 177.26 1jxd s SER 57 N -5.70 5.35 -0.32 -0.43 0.01 0.03 -4.82 113.70 107.82 1jxd s SER 57 Ca 0.03 1.70 -0.01 0.00 1.31 0.00 0.00 55.95 58.97 1jxd s SER 57 Cb 0.08 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 63.91 1jxd s SER 57 CO 0.56 -1.47 0.12 -1.00 0.41 0.00 0.00 173.24 171.87 1jxd s HIS 58 N -2.88 1.56 -1.62 2.43 3.76 -0.08 -4.95 115.29 113.50 1jxd s HIS 58 Ca 0.60 -1.72 0.06 0.00 -0.15 0.00 0.00 55.06 53.85 1jxd s HIS 58 Cb -0.15 -1.62 0.21 0.00 1.11 0.00 0.00 32.58 32.13 1jxd s HIS 58 CO 0.51 -0.86 1.07 1.63 -0.85 0.00 0.00 174.74 176.23 1jxd n LYS 59 N 4.72 1.70 -2.15 1.40 5.02 -1.26 -2.61 118.16 124.98 1jxd n LYS 59 Ca -0.01 -0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 55.04 1jxd n LYS 59 Cb 0.41 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 1jxd n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jxd s GLY 60 N -0.76 1.92 -0.22 0.72 0.00 -1.26 -4.98 107.32 102.74 1jxd s GLY 60 Ca 0.15 1.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.69 1jxd s GLY 60 CO 0.08 2.41 1.11 1.08 0.00 0.00 0.00 173.10 177.78 1jxd s LEU 61 N 1.31 4.11 -0.72 0.66 2.01 -1.26 -4.66 118.68 120.13 1jxd s LEU 61 Ca 0.65 1.44 -0.15 0.00 0.01 0.00 0.00 54.13 56.09 1jxd s LEU 61 Cb -0.37 -3.54 0.18 0.00 0.01 0.00 0.00 46.19 42.48 1jxd s LEU 61 CO 0.30 -0.72 0.68 0.00 1.01 0.00 0.00 176.35 177.62 1jxd s ALA 62 N 3.34 3.90 -0.21 4.21 0.00 -1.21 -4.86 121.76 126.93 1jxd s ALA 62 Ca 0.47 -3.01 -0.05 0.00 0.00 0.00 0.00 51.96 49.37 1jxd s ALA 62 Cb -0.17 -3.44 -0.19 0.00 0.00 0.00 0.00 23.12 19.32 1jxd s ALA 62 CO 0.09 -2.20 -0.02 1.19 0.00 0.00 0.00 175.76 174.82 1jxd n PHE 63 N 4.53 0.50 -2.38 0.00 3.01 -1.26 -4.34 117.46 117.51 1jxd n PHE 63 Ca 0.04 0.13 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 1jxd n PHE 63 Cb 0.44 -1.06 -0.03 0.00 -0.01 0.00 0.00 39.48 38.82 1jxd n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jxd s ALA 64 N -2.52 3.48 -1.17 4.37 0.00 -1.26 -4.92 121.76 119.74 1jxd s ALA 64 Ca -0.31 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1jxd s ALA 64 Cb 0.09 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1jxd s ALA 64 CO 0.64 -0.67 1.94 0.00 0.00 0.00 0.00 175.76 177.66 1jxd s ALA 65 N 1.80 1.75 0.00 0.00 0.00 -1.26 -1.43 121.76 122.63 1jxd s ALA 65 Ca 0.59 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1jxd s ALA 65 Cb -0.28 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.16 1jxd s ALA 65 CO 0.26 -5.28 0.00 0.41 0.00 0.00 0.00 175.76 171.15 1jxd n GLY 66 N 5.85 0.81 3.77 0.00 0.00 -1.26 -5.07 105.19 109.28 1jxd n GLY 66 Ca 0.45 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1jxd n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jxd s GLU 67 N 0.00 4.39 0.00 1.61 0.41 -0.51 -4.87 118.70 119.73 1jxd s GLU 67 Ca 0.00 2.16 -0.06 0.00 -0.41 0.00 0.00 54.97 56.66 1jxd s GLU 67 Cb 0.00 -3.09 -0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1jxd s GLU 67 CO 0.00 -0.14 0.11 -1.54 -0.49 0.00 0.00 175.26 173.20 1jxd s SER 68 N -0.49 0.05 0.26 -0.19 1.04 -1.26 -2.31 113.70 110.80 1jxd s SER 68 Ca 0.49 -0.23 0.11 0.00 0.48 0.00 0.00 55.95 56.81 1jxd s SER 68 Cb -0.39 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1jxd s SER 68 CO 0.51 -0.34 -0.18 -0.36 0.98 0.00 0.00 173.24 173.85 1jxd s PHE 69 N -1.30 2.36 0.00 5.02 0.08 -0.71 -4.95 117.98 118.47 1jxd s PHE 69 Ca -0.14 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.60 1jxd s PHE 69 Cb -0.08 -1.05 -0.00 0.00 -0.57 0.00 0.00 43.02 41.32 1jxd s PHE 69 CO 0.01 0.66 -0.04 0.99 -0.10 0.00 0.00 175.22 176.74 1jxd s THR 70 N -2.31 0.29 0.01 0.64 2.01 -1.26 -0.85 115.64 114.16 1jxd s THR 70 Ca 0.28 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1jxd s THR 70 Cb -0.06 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1jxd s THR 70 CO 0.15 0.03 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.42 1jxd s SER 71 N -0.22 1.63 -0.37 3.53 0.15 -0.35 -4.98 113.70 113.10 1jxd s SER 71 Ca 0.00 -0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.20 1jxd s SER 71 Cb -0.02 -0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1jxd s SER 71 CO -0.00 0.13 0.28 -0.89 1.20 0.00 0.00 173.24 173.96 1jxd s THR 72 N -0.48 5.25 -1.20 6.45 2.01 -1.26 -1.03 115.64 125.37 1jxd s THR 72 Ca 0.04 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1jxd s THR 72 Cb -0.06 -3.81 0.21 0.00 0.01 0.00 0.00 72.50 68.85 1jxd s THR 72 CO 0.00 -0.13 2.02 0.49 -0.69 0.00 0.00 174.62 176.31 1jxd n PHE 73 N 5.18 2.65 0.16 4.92 3.01 -0.02 -4.74 117.46 128.61 1jxd n PHE 73 Ca -0.11 -2.71 -0.07 0.00 1.01 0.00 0.00 57.45 55.57 1jxd n PHE 73 Cb 0.49 -1.60 -0.03 0.00 -0.01 0.00 0.00 39.48 38.32 1jxd n PHE 73 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxd h THR 74 N 2.81 0.00 -2.83 4.37 2.02 -1.87 -0.46 112.91 116.95 1jxd h THR 74 Ca 0.54 -0.36 -0.56 0.00 0.77 0.00 0.00 66.41 66.80 1jxd h THR 74 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1jxd h THR 74 CO 1.41 0.00 0.93 -0.70 0.37 0.00 0.00 175.52 177.53 1jxd s GLU 75 N -3.11 4.23 0.17 6.66 2.56 -1.26 -3.70 118.70 124.25 1jxd s GLU 75 Ca -0.06 1.90 -0.31 0.00 0.00 0.00 0.00 54.97 56.49 1jxd s GLU 75 Cb 0.01 -3.78 -0.10 0.00 2.00 0.00 0.00 34.13 32.26 1jxd s GLU 75 CO 0.19 -0.71 1.51 -1.25 -0.56 0.00 0.00 175.26 174.45 1jxd s PRO 76 N 3.35 4.24 0.00 4.30 0.04 -1.26 -4.79 135.00 140.87 1jxd s PRO 76 Ca 0.63 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1jxd s PRO 76 Cb -0.28 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1jxd s PRO 76 CO 0.22 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1jxd n GLY 77 N 3.47 -0.69 3.66 0.56 0.00 -0.79 -4.97 105.19 106.43 1jxd n GLY 77 Ca 0.12 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1jxd n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxd s THR 78 N -1.98 5.31 -0.14 2.61 2.01 -1.26 -1.10 115.64 121.08 1jxd s THR 78 Ca 0.00 0.35 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 1jxd s THR 78 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1jxd s THR 78 CO 0.00 0.31 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.80 1jxd s TYR 79 N 1.16 2.80 -0.22 4.92 1.51 -0.68 -3.85 117.35 122.98 1jxd s TYR 79 Ca 0.11 -0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 55.33 1jxd s TYR 79 Cb -0.14 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1jxd s TYR 79 CO 0.06 -0.33 -0.08 0.99 -1.11 0.00 0.00 175.55 175.07 1jxd s THR 80 N 0.59 2.94 0.03 -0.71 2.01 -1.25 -0.41 115.64 118.83 1jxd s THR 80 Ca -0.08 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1jxd s THR 80 Cb -0.16 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1jxd s THR 80 CO 0.03 0.39 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.59 1jxd s TYR 81 N 1.39 2.95 0.33 4.92 1.13 -0.30 -1.33 117.35 126.45 1jxd s TYR 81 Ca 0.04 -0.01 0.06 0.00 -1.41 0.00 0.00 57.07 55.75 1jxd s TYR 81 Cb -0.15 -1.60 -0.02 0.00 -1.10 0.00 0.00 41.96 39.10 1jxd s TYR 81 CO -0.06 0.43 0.31 2.48 -2.51 0.00 0.00 175.55 176.20 1jxd n TYR 82 N 1.23 -0.89 -3.36 -3.49 0.18 -0.67 -0.92 117.16 109.24 1jxd n TYR 82 Ca -0.14 -2.69 -0.35 0.00 1.88 0.00 0.00 57.90 56.60 1jxd n TYR 82 Cb 0.52 0.33 -0.06 0.00 -0.38 0.00 0.00 39.34 39.76 1jxd n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jxd h GLU 84 N 3.51 -0.97 0.16 0.00 5.08 -1.94 -0.96 114.58 119.46 1jxd h GLU 84 Ca -0.48 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1jxd h GLU 84 Cb 1.19 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1jxd h GLU 84 CO 0.66 -0.63 -0.08 -1.00 -1.00 0.00 0.00 179.01 176.96 1jxd h PRO 85 N -1.18 -0.21 -0.48 2.33 0.13 -1.96 -3.13 132.00 127.50 1jxd h PRO 85 Ca -0.10 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1jxd h PRO 85 Cb 0.79 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1jxd h PRO 85 CO 0.17 -0.08 0.00 0.72 -0.23 0.00 0.00 178.00 178.58 1jxd n HIS 86 N -5.15 0.57 -0.36 1.56 8.25 -1.25 -4.59 115.22 114.25 1jxd n HIS 86 Ca -0.09 -0.24 -0.07 0.00 -0.26 0.00 0.00 57.72 57.06 1jxd n HIS 86 Cb 0.14 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 1jxd n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jxd n ARG 87 N 0.37 -0.33 -0.54 -0.41 0.63 -0.36 -0.75 116.66 115.27 1jxd n ARG 87 Ca 0.11 1.32 0.10 0.00 -0.92 0.00 0.00 57.85 58.45 1jxd n ARG 87 Cb 0.39 -1.94 0.34 0.00 0.45 0.00 0.00 32.46 31.70 1jxd n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jxd n GLY 88 N -1.27 2.78 0.87 5.14 0.00 -1.26 -4.32 105.19 107.13 1jxd n GLY 88 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.30 1jxd n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jxd n ALA 89 N 1.10 2.60 -0.71 4.61 0.00 0.07 -4.87 120.51 123.31 1jxd n ALA 89 Ca 0.25 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1jxd n ALA 89 Cb 0.82 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1jxd n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxd n GLY 90 N 1.01 0.78 3.43 0.00 0.00 -1.26 -5.01 105.19 104.15 1jxd n GLY 90 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1jxd n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jxd s MET 91 N -0.29 3.19 0.10 1.61 -2.45 -1.23 -4.97 119.30 115.26 1jxd s MET 91 Ca 0.00 -1.14 -0.08 0.00 -1.25 0.00 0.00 55.69 53.21 1jxd s MET 91 Cb 0.00 -4.37 -0.01 0.00 1.25 0.00 0.00 34.83 31.70 1jxd s MET 91 CO 0.00 -1.74 0.19 0.08 1.05 0.00 0.00 175.02 174.60 1jxd s VAL 92 N 3.44 0.14 0.16 10.11 1.01 -1.26 -3.85 120.40 130.14 1jxd s VAL 92 Ca 0.22 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1jxd s VAL 92 Cb -0.16 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1jxd s VAL 92 CO 0.05 -0.62 0.25 -0.83 0.00 0.00 0.00 175.10 173.95 1jxd s GLY 93 N -2.88 0.59 0.06 4.51 0.00 -0.09 -4.50 107.32 105.00 1jxd s GLY 93 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.83 1jxd s GLY 93 CO -0.09 -0.93 -0.11 1.25 0.00 0.00 0.00 173.10 173.22 1jxd s LYS 94 N -3.99 0.69 -0.04 2.90 2.20 -0.02 -1.15 119.74 120.33 1jxd s LYS 94 Ca 0.19 -0.90 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1jxd s LYS 94 Cb 0.04 -0.54 0.00 0.00 -1.51 0.00 0.00 37.83 35.82 1jxd s LYS 94 CO 0.01 0.11 -0.13 0.08 -0.36 0.00 0.00 175.35 175.06 1jxd s VAL 95 N -1.53 1.10 -0.35 4.02 1.01 0.45 -2.73 120.40 122.38 1jxd s VAL 95 Ca -0.04 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1jxd s VAL 95 Cb -0.09 -0.96 0.10 0.00 0.00 0.00 0.00 36.38 35.43 1jxd s VAL 95 CO 0.01 0.33 0.07 -0.69 0.00 0.00 0.00 175.10 174.82 1jxd s VAL 96 N 0.18 2.37 -0.09 2.92 1.01 -0.51 -1.69 120.40 124.58 1jxd s VAL 96 Ca -0.05 -2.37 -0.30 0.00 0.00 0.00 0.00 61.98 59.27 1jxd s VAL 96 Cb -0.11 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1jxd s VAL 96 CO 0.01 -0.62 1.05 -0.69 0.00 0.00 0.00 175.10 174.86 1jxd s VAL 97 N 0.87 4.67 -2.97 2.92 1.01 -0.26 -3.00 120.40 123.63 1jxd s VAL 97 Ca 0.11 1.94 0.24 0.00 0.00 0.00 0.00 61.98 64.28 1jxd s VAL 97 Cb -0.20 -4.25 0.21 0.00 0.00 0.00 0.00 36.38 32.14 1jxd s VAL 97 CO -0.07 0.01 1.29 -0.67 0.00 0.00 0.00 175.10 175.65