#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkw s ASP 2 N 0.00 4.10 0.32 0.00 1.01 -1.26 -0.92 116.67 119.92 2jkw s ASP 2 Ca 0.00 -0.32 0.10 0.00 0.71 0.00 0.00 52.55 53.04 2jkw s ASP 2 Cb 0.00 -1.64 -0.06 0.00 1.01 0.00 0.00 42.92 42.24 2jkw s ASP 2 CO 0.00 0.15 -0.10 -0.36 0.21 0.00 0.00 175.17 175.07 2jkw s PHE 3 N 0.47 2.42 0.00 4.23 0.40 0.03 -4.98 117.98 120.55 2jkw s PHE 3 Ca -0.08 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 2jkw s PHE 3 Cb -0.16 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 2jkw s PHE 3 CO 0.04 0.60 -0.12 -1.21 0.70 0.00 0.00 175.22 175.23 2jkw s GLU 4 N -3.61 0.95 -0.08 0.44 2.02 -1.26 -0.92 118.70 116.25 2jkw s GLU 4 Ca 0.32 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.82 2jkw s GLU 4 Cb -0.01 -0.93 0.01 0.00 0.10 0.00 0.00 34.13 33.31 2jkw s GLU 4 CO 0.17 0.25 -0.12 0.08 0.02 0.00 0.00 175.26 175.66 2jkw s VAL 5 N -0.43 1.16 0.16 2.63 1.01 -0.10 -4.65 120.40 120.18 2jkw s VAL 5 Ca 0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2jkw s VAL 5 Cb -0.05 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 2jkw s VAL 5 CO -0.00 0.37 0.51 -1.00 0.00 0.00 0.00 175.10 174.98 2jkw s HIS 6 N 0.83 3.54 -0.24 5.22 3.76 0.40 -0.70 115.29 128.09 2jkw s HIS 6 Ca -0.11 0.92 -0.05 0.00 -0.15 0.00 0.00 55.06 55.67 2jkw s HIS 6 Cb -0.15 -2.28 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 2jkw s HIS 6 CO 0.02 0.39 0.00 -1.64 -0.85 0.00 0.00 174.74 172.66 2jkw s MET 7 N -2.27 3.37 0.05 1.40 -1.94 0.01 -0.80 119.30 119.12 2jkw s MET 7 Ca 0.40 -0.64 0.05 0.00 -1.71 0.00 0.00 55.69 53.79 2jkw s MET 7 Cb -0.13 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.54 2jkw s MET 7 CO 0.20 -0.25 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.31 2jkw s LEU 8 N 1.51 2.20 0.30 -0.03 1.43 -0.40 -1.06 118.68 122.63 2jkw s LEU 8 Ca 0.05 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2jkw s LEU 8 Cb -0.15 -0.61 0.47 0.00 0.03 0.00 0.00 46.19 45.92 2jkw s LEU 8 CO -0.01 0.02 1.75 0.78 0.23 0.00 0.00 176.35 179.12 2jkw h ASN 9 N 4.77 0.42 -3.68 2.29 2.35 -1.92 -1.48 115.58 118.33 2jkw h ASN 9 Ca -0.39 -0.14 -0.22 0.00 -0.55 0.00 0.00 56.30 55.00 2jkw h ASN 9 Cb 1.18 -0.11 -0.29 0.00 0.05 0.00 0.00 38.32 39.15 2jkw h ASN 9 CO 0.43 0.67 -0.63 -0.75 -1.65 0.00 0.00 177.43 175.50 2jkw s LYS 10 N -4.49 0.08 0.02 0.81 2.20 -1.26 -0.63 119.74 116.47 2jkw s LYS 10 Ca -0.06 0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2jkw s LYS 10 Cb 0.14 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2jkw s LYS 10 CO 0.78 -0.06 0.03 0.41 -0.36 0.00 0.00 175.35 176.15 2jkw n GLY 11 N 3.36 2.93 0.24 5.54 0.00 0.21 -4.93 105.19 112.54 2jkw n GLY 11 Ca -0.16 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.60 2jkw n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkw h LYS 12 N 0.00 0.00 -0.39 1.61 6.56 -2.01 -1.64 116.57 120.70 2jkw h LYS 12 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2jkw h LYS 12 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2jkw h LYS 12 CO 0.02 0.16 0.00 -3.47 -2.06 0.00 0.00 179.45 174.10 2jkw n ASP 13 N -3.97 2.34 0.00 0.86 2.03 -1.26 -5.03 116.55 111.52 2jkw n ASP 13 Ca -0.02 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.35 2jkw n ASP 13 Cb 0.25 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2jkw n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jkw n GLY 14 N 1.22 0.53 3.87 0.27 0.00 -0.62 -5.04 105.19 105.43 2jkw n GLY 14 Ca 0.16 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 2jkw n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkw s ALA 15 N -1.85 3.56 -0.52 4.61 0.00 -1.26 -0.62 121.76 125.67 2jkw s ALA 15 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2jkw s ALA 15 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2jkw s ALA 15 CO 0.00 0.50 0.63 1.19 0.00 0.00 0.00 175.76 178.08 2jkw n PHE 16 N -0.16 -3.34 -4.14 0.00 0.99 0.20 -4.85 117.46 106.16 2jkw n PHE 16 Ca 0.01 1.33 -0.16 0.00 -0.00 0.00 0.00 57.45 58.62 2jkw n PHE 16 Cb 0.52 -4.08 -0.12 0.00 -1.00 0.00 0.00 39.48 34.81 2jkw n PHE 16 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2jkw s VAL 17 N -2.71 0.93 -0.05 -4.37 -7.23 -0.56 -3.58 120.40 102.82 2jkw s VAL 17 Ca 0.18 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 58.88 2jkw s VAL 17 Cb -0.05 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 2jkw s VAL 17 CO 0.77 -0.34 0.38 -0.36 -0.31 0.00 0.00 175.10 175.24 2jkw s PHE 18 N -1.56 3.65 -0.09 2.82 0.08 -1.26 -1.27 117.98 120.35 2jkw s PHE 18 Ca -0.02 0.89 -0.01 0.00 0.12 0.00 0.00 56.93 57.91 2jkw s PHE 18 Cb -0.08 -2.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2jkw s PHE 18 CO 0.01 0.53 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.42 2jkw s GLU 19 N -0.62 0.93 0.60 0.44 2.02 0.02 -2.73 118.70 119.36 2jkw s GLU 19 Ca 0.22 -0.02 -0.16 0.00 0.02 0.00 0.00 54.97 55.03 2jkw s GLU 19 Cb -0.16 -1.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.86 2jkw s GLU 19 CO 0.11 -0.29 1.08 -1.25 0.02 0.00 0.00 175.26 174.93 2jkw s PRO 20 N 1.87 3.21 0.03 0.39 0.04 -1.26 -0.46 135.00 138.81 2jkw s PRO 20 Ca 0.05 1.32 0.27 0.00 0.04 0.00 0.00 61.00 62.68 2jkw s PRO 20 Cb -0.12 -2.01 0.81 0.00 0.04 0.00 0.00 34.50 33.22 2jkw s PRO 20 CO -0.06 -0.92 1.64 0.00 0.04 0.00 0.00 177.00 177.70 2jkw n ALA 21 N -1.97 2.90 -3.43 8.56 0.00 -1.11 -4.73 120.51 120.74 2jkw n ALA 21 Ca 0.10 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2jkw n ALA 21 Cb 0.52 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 2jkw n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jkw s SER 22 N -3.23 -0.24 -0.13 0.00 1.04 -1.26 -0.82 113.70 109.06 2jkw s SER 22 Ca 0.12 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.92 2jkw s SER 22 Cb 0.17 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.75 2jkw s SER 22 CO 0.63 -0.12 0.33 -0.22 0.98 0.00 0.00 173.24 174.84 2jkw s LEU 23 N 0.70 0.59 -0.12 2.42 2.96 -0.96 -5.00 118.68 119.27 2jkw s LEU 23 Ca -0.05 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2jkw s LEU 23 Cb -0.06 1.13 -0.03 0.00 0.50 0.00 0.00 46.19 47.72 2jkw s LEU 23 CO -0.04 -0.13 0.00 -0.75 -1.32 0.00 0.00 176.35 174.11 2jkw s LYS 24 N 0.45 3.32 0.21 1.98 2.36 -1.26 -0.74 119.74 126.06 2jkw s LYS 24 Ca -0.02 -0.42 0.00 0.00 -2.55 0.00 0.00 55.97 52.98 2jkw s LYS 24 Cb -0.04 -2.89 -0.04 0.00 -1.05 0.00 0.00 37.83 33.80 2jkw s LYS 24 CO -0.02 0.52 0.10 0.14 1.55 0.00 0.00 175.35 177.64 2jkw s VAL 25 N -0.38 0.26 0.29 4.02 -7.23 0.23 -4.96 120.40 112.63 2jkw s VAL 25 Ca 0.07 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2jkw s VAL 25 Cb -0.12 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2jkw s VAL 25 CO 0.02 -0.10 0.54 0.00 -0.31 0.00 0.00 175.10 175.26 2jkw s ALA 26 N -3.96 3.65 0.18 1.32 0.00 -1.26 -1.08 121.76 120.60 2jkw s ALA 26 Ca 0.36 -0.62 -0.33 0.00 0.00 0.00 0.00 51.96 51.36 2jkw s ALA 26 Cb 0.07 -2.26 -0.13 0.00 0.00 0.00 0.00 23.12 20.80 2jkw s ALA 26 CO 0.11 0.22 1.57 -2.30 0.00 0.00 0.00 175.76 175.36 2jkw n PRO 27 N -1.03 2.24 -0.04 0.00 -0.02 -1.26 -1.36 135.00 133.53 2jkw n PRO 27 Ca -0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2jkw n PRO 27 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2jkw n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkw n GLY 28 N 3.26 0.72 3.82 -1.23 0.00 0.13 -4.98 105.19 106.91 2jkw n GLY 28 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2jkw n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkw s ASP 29 N -2.57 4.77 0.14 1.61 1.01 -0.46 -4.55 116.67 116.62 2jkw s ASP 29 Ca 0.00 1.28 0.11 0.00 0.71 0.00 0.00 52.55 54.64 2jkw s ASP 29 Cb 0.00 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 2jkw s ASP 29 CO 0.00 -1.79 -0.25 0.42 0.21 0.00 0.00 175.17 173.76 2jkw s THR 30 N -3.20 2.21 -0.07 -1.27 -4.23 -0.09 -1.33 115.64 107.65 2jkw s THR 30 Ca 0.60 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.35 2jkw s THR 30 Cb -0.14 -1.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.73 2jkw s THR 30 CO 0.54 0.01 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.72 2jkw s VAL 31 N -1.25 1.81 -0.24 2.29 1.01 -0.17 -0.79 120.40 123.05 2jkw s VAL 31 Ca 0.15 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2jkw s VAL 31 Cb -0.09 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2jkw s VAL 31 CO 0.07 0.51 0.07 -0.89 0.00 0.00 0.00 175.10 174.85 2jkw s THR 32 N 0.22 4.32 -0.24 3.92 2.01 -0.09 -0.69 115.64 125.08 2jkw s THR 32 Ca -0.12 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.47 2jkw s THR 32 Cb -0.16 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2jkw s THR 32 CO 0.06 0.35 0.78 -0.36 -0.69 0.00 0.00 174.62 174.76 2jkw s PHE 33 N 1.50 3.31 -0.22 4.92 0.08 0.16 -0.93 117.98 126.80 2jkw s PHE 33 Ca 0.06 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.19 2jkw s PHE 33 Cb -0.15 -3.00 0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2jkw s PHE 33 CO 0.03 -0.38 -0.16 0.42 -0.10 0.00 0.00 175.22 175.04 2jkw s ILE 34 N 2.73 2.14 -0.18 0.64 1.01 0.12 -1.07 121.20 126.59 2jkw s ILE 34 Ca 0.33 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 2jkw s ILE 34 Cb -0.15 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 2jkw s ILE 34 CO 0.08 0.29 1.06 -2.16 0.00 0.00 0.00 174.94 174.21 2jkw s PRO 35 N 1.21 4.30 0.16 2.79 0.04 -1.26 -0.81 135.00 141.43 2jkw s PRO 35 Ca -0.01 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 2jkw s PRO 35 Cb -0.16 -3.62 0.01 0.00 0.04 0.00 0.00 34.50 30.77 2jkw s PRO 35 CO -0.09 -0.55 1.41 1.15 0.04 0.00 0.00 177.00 178.96 2jkw h THR 36 N 5.34 1.34 -3.12 1.26 2.02 -1.47 -3.46 112.91 114.83 2jkw h THR 36 Ca -0.24 -2.04 -0.51 0.00 0.77 0.00 0.00 66.41 64.39 2jkw h THR 36 Cb 1.09 2.02 -0.17 0.00 -1.74 0.00 0.00 68.15 69.35 2jkw h THR 36 CO 0.94 0.62 -0.77 -1.81 0.37 0.00 0.00 175.52 174.88 2jkw s ASP 37 N -7.00 2.74 0.55 4.18 1.01 -1.23 -5.05 116.67 111.87 2jkw s ASP 37 Ca -0.07 -0.91 -0.19 0.00 0.71 0.00 0.00 52.55 52.09 2jkw s ASP 37 Cb 0.10 -0.17 -0.06 0.00 1.01 0.00 0.00 42.92 43.81 2jkw s ASP 37 CO 0.86 -0.06 1.13 -0.54 0.21 0.00 0.00 175.17 176.76 2jkw s LYS 38 N -3.04 3.35 0.00 8.23 -0.14 -1.26 -4.38 119.74 122.49 2jkw s LYS 38 Ca 0.18 1.59 0.00 0.00 -1.36 0.00 0.00 55.97 56.39 2jkw s LYS 38 Cb -0.05 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 2jkw s LYS 38 CO 0.07 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.22 2jkw n GLY 39 N 0.11 0.89 3.65 -3.33 0.00 -1.26 -4.98 105.19 100.26 2jkw n GLY 39 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2jkw n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jkw s HIS 40 N -2.00 2.76 0.26 1.61 3.76 -1.26 -4.85 115.29 115.57 2jkw s HIS 40 Ca 0.00 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 2jkw s HIS 40 Cb 0.00 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.39 2jkw s HIS 40 CO 0.00 0.55 0.32 0.27 -0.85 0.00 0.00 174.74 175.03 2jkw n ASN 41 N -0.40 -0.86 -4.00 1.40 6.94 -1.26 -1.10 115.26 115.98 2jkw n ASN 41 Ca -0.09 -2.53 -0.18 0.00 -0.02 0.00 0.00 54.58 51.76 2jkw n ASN 41 Cb 0.57 1.70 -0.15 0.00 -2.36 0.00 0.00 39.78 39.54 2jkw n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2jkw s VAL 42 N -2.83 0.66 -0.13 3.53 0.11 -1.26 -3.94 120.40 116.54 2jkw s VAL 42 Ca 0.25 -0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 58.87 2jkw s VAL 42 Cb 0.00 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2jkw s VAL 42 CO 0.18 0.20 0.33 -0.70 -3.33 0.00 0.00 175.10 171.77 2jkw s GLU 43 N -0.06 0.34 0.20 1.54 2.12 0.23 -0.20 118.70 122.86 2jkw s GLU 43 Ca 0.01 0.55 -0.33 0.00 0.36 0.00 0.00 54.97 55.56 2jkw s GLU 43 Cb -0.05 0.07 -0.14 0.00 0.26 0.00 0.00 34.13 34.27 2jkw s GLU 43 CO -0.00 -0.10 1.45 2.41 -0.54 0.00 0.00 175.26 178.49 2jkw n THR 44 N 3.51 0.52 -2.83 -1.70 -1.04 -0.57 -0.87 114.28 111.30 2jkw n THR 44 Ca -0.18 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.28 2jkw n THR 44 Cb 0.56 -1.42 -0.04 0.00 -1.82 0.00 0.00 70.33 67.62 2jkw n THR 44 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jkw s ILE 45 N 0.34 4.80 0.10 12.58 1.01 -0.62 -4.81 121.20 134.60 2jkw s ILE 45 Ca 0.74 1.70 -0.36 0.00 0.00 0.00 0.00 60.65 62.73 2jkw s ILE 45 Cb -0.69 -4.17 -0.17 0.00 0.01 0.00 0.00 42.46 37.44 2jkw s ILE 45 CO 0.45 -0.08 1.32 1.17 0.00 0.00 0.00 174.94 177.79 2jkw n LYS 46 N 5.95 1.17 -0.86 2.79 4.81 -1.26 -1.00 118.16 129.76 2jkw n LYS 46 Ca 0.07 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2jkw n LYS 46 Cb 0.47 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.48 2jkw n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jkw n GLY 47 N 2.46 0.87 2.44 3.14 0.00 -1.26 -4.72 105.19 108.12 2jkw n GLY 47 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2jkw n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jkw n MET 48 N -2.13 2.89 -3.71 1.61 2.81 -0.17 -4.55 117.12 113.87 2jkw n MET 48 Ca 0.00 -4.11 -0.16 0.00 -1.81 0.00 0.00 57.70 51.62 2jkw n MET 48 Cb 0.00 -2.01 -0.16 0.00 -0.71 0.00 0.00 33.22 30.34 2jkw n MET 48 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2jkw s ILE 49 N -4.73 -0.14 0.57 2.02 2.07 -1.26 -1.54 121.20 118.20 2jkw s ILE 49 Ca 0.43 0.28 -0.20 0.00 -1.41 0.00 0.00 60.65 59.75 2jkw s ILE 49 Cb 0.41 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.72 2jkw s ILE 49 CO -0.08 0.12 1.23 -2.65 -1.91 0.00 0.00 174.94 171.64 2jkw n PRO 50 N 4.77 1.36 -1.70 3.50 -0.02 -1.26 -4.88 135.00 136.77 2jkw n PRO 50 Ca -0.15 0.51 -0.58 0.00 -2.02 0.00 0.00 63.50 61.26 2jkw n PRO 50 Cb 0.51 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 2jkw n PRO 50 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jkw n ASP 51 N -1.02 2.18 0.00 2.55 2.03 -1.26 -1.99 116.55 119.04 2jkw n ASP 51 Ca 0.12 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.52 2jkw n ASP 51 Cb 0.45 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 2jkw n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jkw n GLY 52 N 3.94 1.55 3.83 0.27 0.00 -1.26 -5.00 105.19 108.52 2jkw n GLY 52 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2jkw n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkw s ALA 53 N -2.44 2.78 -0.35 4.61 0.00 -0.84 -5.01 121.76 120.51 2jkw s ALA 53 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2jkw s ALA 53 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2jkw s ALA 53 CO 0.00 -1.02 0.37 -2.00 0.00 0.00 0.00 175.76 173.10 2jkw s GLU 54 N -4.88 3.52 0.70 0.00 2.56 -1.26 -4.99 118.70 114.34 2jkw s GLU 54 Ca 0.58 -0.45 -0.14 0.00 0.00 0.00 0.00 54.97 54.96 2jkw s GLU 54 Cb -0.14 -3.82 0.02 0.00 2.00 0.00 0.00 34.13 32.20 2jkw s GLU 54 CO 0.51 -0.55 1.14 0.00 -0.56 0.00 0.00 175.26 175.79 2jkw s ALA 55 N 2.02 2.31 0.14 6.30 0.00 -1.26 -5.05 121.76 126.23 2jkw s ALA 55 Ca 0.12 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 2jkw s ALA 55 Cb -0.17 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2jkw s ALA 55 CO 0.12 -1.54 0.31 -0.59 0.00 0.00 0.00 175.76 174.06 2jkw s PHE 56 N -2.30 0.17 -0.25 0.00 -0.12 -1.26 -5.02 117.98 109.19 2jkw s PHE 56 Ca 0.68 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 57.00 2jkw s PHE 56 Cb -0.23 0.05 0.14 0.00 -0.63 0.00 0.00 43.02 42.36 2jkw s PHE 56 CO 0.44 -0.70 0.43 0.21 -0.05 0.00 0.00 175.22 175.55 2jkw s LYS 57 N -3.90 0.39 0.68 1.99 2.20 -1.26 -1.52 119.74 118.33 2jkw s LYS 57 Ca 0.11 0.66 -0.11 0.00 -0.36 0.00 0.00 55.97 56.27 2jkw s LYS 57 Cb 0.03 -0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.13 2jkw s LYS 57 CO -0.05 -0.62 1.07 -1.54 -0.36 0.00 0.00 175.35 173.85 2jkw s SER 58 N 2.62 5.65 0.31 1.43 1.04 0.72 -5.00 113.70 120.47 2jkw s SER 58 Ca 0.14 1.29 -0.22 0.00 0.48 0.00 0.00 55.95 57.64 2jkw s SER 58 Cb -0.15 -2.18 -0.10 0.00 0.10 0.00 0.00 66.02 63.70 2jkw s SER 58 CO -0.17 -1.23 0.86 -0.54 0.98 0.00 0.00 173.24 173.14 2jkw s LYS 59 N -5.25 4.35 0.25 4.02 1.02 -1.26 -4.50 119.74 118.36 2jkw s LYS 59 Ca 0.57 1.07 -0.30 0.00 0.02 0.00 0.00 55.97 57.34 2jkw s LYS 59 Cb -0.12 -2.66 -0.14 0.00 -0.52 0.00 0.00 37.83 34.39 2jkw s LYS 59 CO 0.53 0.24 1.08 1.51 -0.92 0.00 0.00 175.35 177.79 2jkw n ILE 60 N 0.26 1.58 -0.41 2.17 3.06 -1.26 -2.54 119.36 122.22 2jkw n ILE 60 Ca 0.02 -0.39 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 2jkw n ILE 60 Cb 0.51 -0.98 0.00 0.00 0.54 0.00 0.00 39.64 39.71 2jkw n ILE 60 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2jkw n ASN 61 N 1.54 0.00 -4.80 9.51 3.02 -0.26 -4.97 115.26 119.30 2jkw n ASN 61 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 2jkw n ASN 61 Cb 0.30 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 2jkw n ASN 61 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jkw s GLU 62 N -0.08 4.32 0.17 3.52 2.02 -1.05 -4.84 118.70 122.76 2jkw s GLU 62 Ca 0.00 0.91 -0.31 0.00 0.02 0.00 0.00 54.97 55.58 2jkw s GLU 62 Cb 0.00 -3.06 -0.10 0.00 0.10 0.00 0.00 34.13 31.07 2jkw s GLU 62 CO 0.00 0.50 1.50 -0.80 0.02 0.00 0.00 175.26 176.48 2jkw s ASN 63 N -1.40 6.65 -0.12 -0.19 0.01 -1.26 -4.57 114.94 114.06 2jkw s ASN 63 Ca 0.38 2.57 -0.01 0.00 -0.71 0.00 0.00 52.86 55.09 2jkw s ASN 63 Cb -0.19 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 38.90 2jkw s ASN 63 CO 0.22 -0.76 -0.06 -0.47 -1.51 0.00 0.00 177.10 174.53 2jkw s TYR 64 N 0.87 1.41 -0.22 2.20 5.04 -0.23 -4.96 117.35 121.45 2jkw s TYR 64 Ca 0.66 -0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 54.44 2jkw s TYR 64 Cb -0.42 -1.19 -0.05 0.00 0.35 0.00 0.00 41.96 40.65 2jkw s TYR 64 CO 0.34 -0.52 0.15 0.21 -1.34 0.00 0.00 175.55 174.39 2jkw s LYS 65 N 1.73 4.12 -0.08 4.97 2.20 -1.26 -0.67 119.74 130.75 2jkw s LYS 65 Ca 0.04 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.44 2jkw s LYS 65 Cb -0.13 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2jkw s LYS 65 CO -0.08 0.15 -0.20 0.08 -0.36 0.00 0.00 175.35 174.95 2jkw s VAL 66 N 0.79 1.70 -0.19 4.02 1.01 0.14 -4.99 120.40 122.87 2jkw s VAL 66 Ca 0.08 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2jkw s VAL 66 Cb -0.13 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2jkw s VAL 66 CO 0.02 0.48 0.27 -0.89 0.00 0.00 0.00 175.10 174.98 2jkw s THR 67 N 0.35 5.31 -0.20 3.92 2.01 -1.26 -1.00 115.64 124.76 2jkw s THR 67 Ca -0.14 0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 2jkw s THR 67 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2jkw s THR 67 CO 0.06 0.36 0.06 -0.36 -0.69 0.00 0.00 174.62 174.05 2jkw s PHE 68 N 0.70 3.18 -0.03 4.92 0.08 -0.44 -4.97 117.98 121.42 2jkw s PHE 68 Ca 0.15 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 2jkw s PHE 68 Cb -0.13 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 2jkw s PHE 68 CO 0.04 -0.01 -0.04 0.25 -0.10 0.00 0.00 175.22 175.36 2jkw n THR 69 N 3.98 0.19 -2.40 0.64 -2.24 -1.26 0.17 114.28 113.35 2jkw n THR 69 Ca -0.16 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 2jkw n THR 69 Cb 0.52 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 2jkw n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jkw s ALA 70 N -2.06 3.61 0.68 6.98 0.00 -1.26 -4.50 121.76 125.21 2jkw s ALA 70 Ca -0.05 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.30 2jkw s ALA 70 Cb 0.02 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2jkw s ALA 70 CO 0.07 -1.05 1.26 -2.14 0.00 0.00 0.00 175.76 173.90 2jkw s PRO 71 N 3.08 2.38 0.00 0.00 0.02 -1.26 -4.84 135.00 134.37 2jkw s PRO 71 Ca 0.57 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2jkw s PRO 71 Cb -0.24 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2jkw s PRO 71 CO 0.18 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.56 2jkw n GLY 72 N 0.70 0.91 3.70 0.52 0.00 -0.35 -4.72 105.19 105.96 2jkw n GLY 72 Ca 0.15 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 2jkw n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkw s VAL 73 N -1.53 4.39 -0.18 1.61 1.01 -1.26 -0.24 120.40 124.20 2jkw s VAL 73 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2jkw s VAL 73 Cb 0.00 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.54 2jkw s VAL 73 CO 0.00 0.57 -0.15 -0.31 0.00 0.00 0.00 175.10 175.21 2jkw s TYR 74 N -0.93 2.53 0.01 5.22 1.51 0.25 -4.22 117.35 121.72 2jkw s TYR 74 Ca 0.15 -1.56 -0.20 0.00 -1.01 0.00 0.00 57.07 54.44 2jkw s TYR 74 Cb -0.11 -1.74 -0.06 0.00 -0.11 0.00 0.00 41.96 39.94 2jkw s TYR 74 CO 0.04 -0.75 0.59 0.20 -1.11 0.00 0.00 175.55 174.51 2jkw s GLY 75 N 1.36 2.62 0.12 0.71 0.00 -0.59 -0.93 107.32 110.62 2jkw s GLY 75 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.82 2jkw s GLY 75 CO -0.10 0.67 -0.13 -1.34 0.00 0.00 0.00 173.10 172.20 2jkw s VAL 76 N -0.43 1.24 0.06 1.40 -7.23 0.04 -1.59 120.40 113.89 2jkw s VAL 76 Ca 0.30 -1.77 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2jkw s VAL 76 Cb -0.18 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2jkw s VAL 76 CO 0.18 -0.50 -0.04 -1.59 -0.31 0.00 0.00 175.10 172.84 2jkw s LYS 77 N -2.89 0.65 -0.14 4.82 -2.85 -0.04 -0.87 119.74 118.43 2jkw s LYS 77 Ca 0.10 -1.22 -0.19 0.00 -1.00 0.00 0.00 55.97 53.66 2jkw s LYS 77 Cb -0.03 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.81 2jkw s LYS 77 CO 0.02 -0.09 0.51 0.00 0.10 0.00 0.00 175.35 175.89 2jkw h THR 79 N 4.83 0.37 0.00 0.00 2.02 -1.90 0.45 112.91 118.68 2jkw h THR 79 Ca -0.39 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 2jkw h THR 79 Cb 1.17 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2jkw h THR 79 CO 0.75 0.00 -0.31 1.55 0.37 0.00 0.00 175.52 177.89 2jkw h PRO 80 N -0.74 0.00 -0.56 6.66 0.13 -1.95 -3.17 132.00 132.38 2jkw h PRO 80 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2jkw h PRO 80 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2jkw h PRO 80 CO 0.03 0.31 0.00 0.72 -0.23 0.00 0.00 178.00 178.83 2jkw n HIS 81 N -3.70 0.74 -0.24 1.56 8.25 -1.03 -4.50 115.22 116.29 2jkw n HIS 81 Ca -0.01 -0.45 0.02 0.00 -0.26 0.00 0.00 57.72 57.02 2jkw n HIS 81 Cb 0.41 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.66 2jkw n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2jkw h TYR 82 N 3.61 0.56 0.00 4.41 3.20 -0.88 -0.88 116.97 126.98 2jkw h TYR 82 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2jkw h TYR 82 Cb 0.90 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 2jkw h TYR 82 CO 0.37 0.16 -0.02 0.78 -1.64 0.00 0.00 178.16 177.81 2jkw h GLY 83 N 0.52 0.00 -0.86 1.82 0.00 -1.84 0.28 103.07 102.99 2jkw h GLY 83 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2jkw h GLY 83 CO -0.31 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.26 2jkw n MET 84 N -3.12 1.83 -0.70 4.80 2.81 -0.40 -4.49 117.12 117.85 2jkw n MET 84 Ca -0.00 -1.22 0.00 0.00 -1.81 0.00 0.00 57.70 54.67 2jkw n MET 84 Cb 0.26 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 2jkw n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jkw n GLY 85 N 1.22 0.76 3.56 3.03 0.00 0.09 -4.82 105.19 109.02 2jkw n GLY 85 Ca 0.18 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 2jkw n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jkw s MET 86 N -1.51 3.34 0.06 1.61 -2.45 -0.82 -4.74 119.30 114.80 2jkw s MET 86 Ca 0.00 -0.74 -0.07 0.00 -1.25 0.00 0.00 55.69 53.63 2jkw s MET 86 Cb 0.00 -4.98 -0.01 0.00 1.25 0.00 0.00 34.83 31.09 2jkw s MET 86 CO 0.00 -2.33 0.15 0.14 1.05 0.00 0.00 175.02 174.03 2jkw s VAL 87 N 5.85 0.14 0.23 10.11 -7.23 -1.26 -1.23 120.40 127.01 2jkw s VAL 87 Ca 0.46 -1.14 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 2jkw s VAL 87 Cb -0.03 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2jkw s VAL 87 CO -0.01 -0.63 0.37 -0.83 -0.31 0.00 0.00 175.10 173.69 2jkw s GLY 88 N -2.49 0.78 0.01 2.32 0.00 -0.04 -4.29 107.32 103.61 2jkw s GLY 88 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.64 2jkw s GLY 88 CO -0.07 -0.85 -0.09 -1.34 0.00 0.00 0.00 173.10 170.75 2jkw s VAL 89 N -4.06 0.68 -0.15 1.40 -7.23 0.00 -0.78 120.40 110.26 2jkw s VAL 89 Ca 0.27 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 2jkw s VAL 89 Cb 0.02 -0.60 0.01 0.00 0.56 0.00 0.00 36.38 36.37 2jkw s VAL 89 CO 0.10 0.09 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.08 2jkw s VAL 90 N -0.42 1.98 -0.17 1.32 1.01 -0.11 -2.26 120.40 121.75 2jkw s VAL 90 Ca 0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 2jkw s VAL 90 Cb -0.05 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2jkw s VAL 90 CO -0.00 0.53 0.26 -1.58 0.00 0.00 0.00 175.10 174.31 2jkw s GLN 91 N 1.04 4.24 -0.29 2.72 0.74 0.09 -0.58 119.66 127.62 2jkw s GLN 91 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.42 2jkw s GLN 91 Cb -0.14 -3.43 0.06 0.00 1.10 0.00 0.00 33.01 30.60 2jkw s GLN 91 CO -0.06 0.24 -0.03 0.08 -0.55 0.00 0.00 175.29 174.97 2jkw s VAL 92 N 0.47 2.70 0.00 1.34 1.01 0.66 -0.60 120.40 125.98 2jkw s VAL 92 Ca 0.15 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2jkw s VAL 92 Cb -0.13 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2jkw s VAL 92 CO 0.03 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.61 2jkw n GLY 93 N 4.54 -0.18 0.03 4.51 0.00 -0.24 -1.21 105.19 112.64 2jkw n GLY 93 Ca -0.12 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.28 2jkw n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkw n ASP 94 N -1.12 0.62 -3.17 1.61 8.00 -1.26 -4.42 116.55 116.82 2jkw n ASP 94 Ca 0.00 -0.13 -0.21 0.00 0.71 0.00 0.00 54.79 55.16 2jkw n ASP 94 Cb 0.00 0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 2jkw n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jkw n ALA 95 N -1.73 2.62 -1.60 2.24 0.00 -1.26 -5.11 120.51 115.67 2jkw n ALA 95 Ca 0.03 -3.67 -0.44 0.00 0.00 0.00 0.00 53.44 49.36 2jkw n ALA 95 Cb 0.41 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 2jkw n ALA 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jkw n PRO 96 N 0.53 2.09 0.05 0.00 -0.04 -1.26 -4.87 135.00 131.50 2jkw n PRO 96 Ca 0.25 0.64 0.03 0.00 -0.04 0.00 0.00 63.50 64.38 2jkw n PRO 96 Cb 0.57 -3.08 0.41 0.00 -0.04 0.00 0.00 33.50 31.36 2jkw n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkw h ALA 97 N 13.47 1.61 -0.54 0.55 0.00 -1.94 -2.77 119.26 129.64 2jkw h ALA 97 Ca -0.42 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jkw h ALA 97 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jkw h ALA 97 CO 0.96 0.30 0.00 0.27 0.00 0.00 0.00 179.25 180.78 2jkw n ASN 98 N -4.39 3.14 -0.22 0.00 6.94 -1.26 -4.52 115.26 114.95 2jkw n ASN 98 Ca 0.01 -2.08 0.01 0.00 -0.02 0.00 0.00 54.58 52.50 2jkw n ASN 98 Cb 0.15 -0.40 0.12 0.00 -2.36 0.00 0.00 39.78 37.29 2jkw n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2jkw h LEU 99 N 3.20 0.24 -0.19 -4.53 5.85 -1.86 -1.47 115.31 116.55 2jkw h LEU 99 Ca 0.00 0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 2jkw h LEU 99 Cb 0.84 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2jkw h LEU 99 CO 0.04 0.13 -0.54 -0.33 -0.34 0.00 0.00 178.44 177.40 2jkw h GLU 100 N 0.42 0.71 -0.93 1.25 4.39 -1.85 -3.28 114.58 115.30 2jkw h GLU 100 Ca 0.33 -0.50 0.02 0.00 0.34 0.00 0.00 59.36 59.54 2jkw h GLU 100 Cb 0.43 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 2jkw h GLU 100 CO -0.33 1.13 0.61 0.00 -1.16 0.00 0.00 179.01 179.26 2jkw h ALA 101 N 0.58 1.19 0.00 3.43 0.00 -1.69 -1.94 119.26 120.83 2jkw h ALA 101 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jkw h ALA 101 Cb 1.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jkw h ALA 101 CO 0.12 0.54 0.00 -0.39 0.00 0.00 0.00 179.25 179.52 2jkw h VAL 102 N 1.23 0.00 0.00 0.00 -1.51 -1.35 -1.63 116.25 112.99 2jkw h VAL 102 Ca 0.35 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 2jkw h VAL 102 Cb -0.10 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2jkw h VAL 102 CO -0.09 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 176.36 2jkw h LYS 103 N 0.00 0.00 -0.00 5.19 1.57 -1.44 -2.61 116.57 119.27 2jkw h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jkw h LYS 103 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jkw h LYS 103 CO 0.00 0.00 -0.57 0.41 -0.57 0.00 0.00 179.45 178.72 2jkw n GLY 104 N -0.62 -0.86 3.76 3.86 0.00 -0.61 -4.95 105.19 105.77 2jkw n GLY 104 Ca -0.01 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2jkw n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkw s ALA 105 N -2.81 3.08 0.12 4.61 0.00 -0.99 -4.98 121.76 120.80 2jkw s ALA 105 Ca 0.14 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 2jkw s ALA 105 Cb 0.18 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2jkw s ALA 105 CO 0.68 -0.91 0.84 0.15 0.00 0.00 0.00 175.76 176.52 2jkw s LYS 106 N -2.52 4.61 -0.00 0.00 -0.14 -1.26 -5.06 119.74 115.37 2jkw s LYS 106 Ca 0.62 1.24 -0.09 0.00 -1.36 0.00 0.00 55.97 56.38 2jkw s LYS 106 Cb -0.36 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.47 2jkw s LYS 106 CO 0.45 0.38 0.17 -0.80 -0.76 0.00 0.00 175.35 174.79 2jkw s ASN 107 N -0.51 -0.02 0.86 2.83 0.01 -1.26 -4.98 114.94 111.87 2jkw s ASN 107 Ca 0.40 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 52.28 2jkw s ASN 107 Cb -0.23 0.23 0.11 0.00 0.41 0.00 0.00 41.25 41.77 2jkw s ASN 107 CO 0.27 -0.39 1.14 -0.81 -1.51 0.00 0.00 177.10 175.80 2jkw n PRO 108 N 1.41 -0.11 -0.18 -0.60 -0.04 -1.26 -4.55 135.00 129.68 2jkw n PRO 108 Ca -0.23 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 2jkw n PRO 108 Cb 0.56 -2.38 0.01 0.00 -0.04 0.00 0.00 33.50 31.65 2jkw n PRO 108 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jkw h LYS 109 N -1.34 -0.15 -0.28 0.54 3.64 -1.95 0.13 116.57 117.16 2jkw h LYS 109 Ca -0.45 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.84 2jkw h LYS 109 Cb 1.29 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2jkw h LYS 109 CO 0.43 -0.10 -0.27 0.87 -2.27 0.00 0.00 179.45 178.11 2jkw h LYS 110 N -0.15 0.55 -0.30 1.90 1.57 -1.91 -1.51 116.57 116.73 2jkw h LYS 110 Ca 0.23 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2jkw h LYS 110 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2jkw h LYS 110 CO -0.63 0.77 -0.21 0.00 -0.57 0.00 0.00 179.45 178.82 2jkw h ALA 111 N 1.22 0.42 -0.92 3.86 0.00 -1.43 -2.36 119.26 120.05 2jkw h ALA 111 Ca 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2jkw h ALA 111 Cb 0.72 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2jkw h ALA 111 CO 0.06 0.37 0.60 0.37 0.00 0.00 0.00 179.25 180.65 2jkw h GLN 112 N 0.41 1.15 -0.15 0.00 5.75 -0.40 0.15 115.11 122.02 2jkw h GLN 112 Ca 0.06 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2jkw h GLN 112 Cb 0.75 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 2jkw h GLN 112 CO 0.06 0.76 0.08 0.93 -2.65 0.00 0.00 178.83 178.01 2jkw h GLU 113 N 1.18 0.21 -0.25 1.69 5.08 -1.18 0.11 114.58 121.42 2jkw h GLU 113 Ca 0.36 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 2jkw h GLU 113 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2jkw h GLU 113 CO -0.11 0.21 -0.46 0.00 -1.00 0.00 0.00 179.01 177.65 2jkw h ARG 114 N 0.15 0.64 -0.44 2.33 3.08 -1.14 -2.37 114.38 116.63 2jkw h ARG 114 Ca 0.05 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 2jkw h ARG 114 Cb 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2jkw h ARG 114 CO -0.01 0.97 0.09 -0.07 -1.07 0.00 0.00 179.97 179.88 2jkw h LEU 115 N 0.52 0.69 -0.78 3.04 3.38 -0.52 -0.63 115.31 121.01 2jkw h LEU 115 Ca 0.03 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2jkw h LEU 115 Cb 1.00 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2jkw h LEU 115 CO 0.09 0.76 0.49 0.44 0.09 0.00 0.00 178.44 180.32 2jkw h ASP 116 N 0.59 0.80 -0.45 -0.43 3.32 -0.67 0.20 116.42 119.78 2jkw h ASP 116 Ca 0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2jkw h ASP 116 Cb 0.36 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2jkw h ASP 116 CO 0.01 0.55 0.08 0.00 -1.72 0.00 0.00 179.24 178.15 2jkw h ALA 117 N 1.34 0.59 -0.47 3.45 0.00 -1.21 -0.41 119.26 122.56 2jkw h ALA 117 Ca 0.32 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jkw h ALA 117 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jkw h ALA 117 CO -0.12 0.31 -0.12 0.00 0.00 0.00 0.00 179.25 179.32 2jkw h ALA 118 N 0.95 0.64 -0.51 0.00 0.00 -0.63 -1.32 119.26 118.39 2jkw h ALA 118 Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2jkw h ALA 118 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jkw h ALA 118 CO 0.01 0.55 0.10 -0.07 0.00 0.00 0.00 179.25 179.84 2jkw h LEU 119 N 0.75 0.81 -1.32 0.00 3.38 -0.54 -2.74 115.31 115.63 2jkw h LEU 119 Ca 0.12 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2jkw h LEU 119 Cb 0.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jkw h LEU 119 CO 0.05 0.85 -0.09 0.00 0.09 0.00 0.00 178.44 179.34 2jkw h ALA 120 N 0.99 1.45 0.00 1.53 0.00 -0.84 -2.07 119.26 120.31 2jkw h ALA 120 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jkw h ALA 120 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jkw h ALA 120 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2jkw n ALA 121 N -2.49 2.11 0.81 0.00 0.00 -0.52 -1.28 120.51 119.15 2jkw n ALA 121 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2jkw n ALA 121 Cb 0.26 -1.33 0.41 0.00 0.00 0.00 0.00 19.45 18.79 2jkw n ALA 121 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jkw n LEU 122 N -1.24 0.46 -0.71 0.00 4.77 -0.78 -5.06 117.00 114.44 2jkw n LEU 122 Ca 0.11 0.38 0.09 0.00 -0.03 0.00 0.00 56.01 56.56 2jkw n LEU 122 Cb 0.15 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2jkw n LEU 122 CO 0.15 -0.04 -0.27 0.61 -1.33 0.00 0.00 177.39 176.51 2jkw n GLY 123 N 1.41 -2.63 0.26 -0.72 0.00 -0.40 -5.15 105.19 97.96 2jkw n GLY 123 Ca 0.06 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.95 2jkw n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02