#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 4.17 0.32 0.00 1.01 -1.26 -0.88 116.67 120.02 2jkw s ASP 2 Ca 0.00 -1.12 0.08 0.00 0.71 0.00 0.00 52.55 52.22 2jkw s ASP 2 Cb 0.00 -1.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 2jkw s ASP 2 CO 0.00 -0.14 0.21 -0.36 0.21 0.00 0.00 175.17 175.08 2jkw s PHE 3 N 1.20 2.86 -0.01 4.23 0.40 0.46 -4.99 117.98 122.13 2jkw s PHE 3 Ca -0.04 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 2jkw s PHE 3 Cb -0.18 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 2jkw s PHE 3 CO -0.06 0.32 -0.18 -1.21 0.70 0.00 0.00 175.22 174.79 2jkw s GLU 4 N -3.90 1.43 -0.08 0.44 2.02 -1.26 -0.94 118.70 116.41 2jkw s GLU 4 Ca 0.38 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.71 2jkw s GLU 4 Cb -0.05 -1.40 0.02 0.00 0.10 0.00 0.00 34.13 32.80 2jkw s GLU 4 CO 0.25 0.38 -0.11 0.08 0.02 0.00 0.00 175.26 175.87 2jkw s VAL 5 N -0.47 1.13 0.01 2.63 1.01 -0.28 -4.60 120.40 119.84 2jkw s VAL 5 Ca 0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2jkw s VAL 5 Cb -0.07 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 2jkw s VAL 5 CO -0.00 0.36 0.30 -1.00 0.00 0.00 0.00 175.10 174.76 2jkw s HIS 6 N 0.97 3.60 -0.26 5.22 3.76 0.12 -0.18 115.29 128.52 2jkw s HIS 6 Ca -0.09 0.66 -0.06 0.00 -0.15 0.00 0.00 55.06 55.42 2jkw s HIS 6 Cb -0.15 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 2jkw s HIS 6 CO -0.00 0.61 0.03 -1.64 -0.85 0.00 0.00 174.74 172.89 2jkw s MET 7 N -1.66 3.32 0.07 1.40 -1.94 -0.06 -1.01 119.30 119.41 2jkw s MET 7 Ca 0.27 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.63 2jkw s MET 7 Cb -0.14 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.45 2jkw s MET 7 CO 0.15 -0.30 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.18 2jkw s LEU 8 N 1.52 2.24 0.37 -0.03 1.43 -0.38 -2.63 118.68 121.19 2jkw s LEU 8 Ca 0.04 -0.58 0.14 0.00 -1.03 0.00 0.00 54.13 52.70 2jkw s LEU 8 Cb -0.16 -0.73 0.72 0.00 0.03 0.00 0.00 46.19 46.06 2jkw s LEU 8 CO 0.01 0.03 1.81 0.78 0.23 0.00 0.00 176.35 179.21 2jkw h ASN 9 N 4.48 0.00 -5.02 2.29 2.35 -1.91 -1.92 115.58 115.85 2jkw h ASN 9 Ca -0.42 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.28 2jkw h ASN 9 Cb 1.18 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.39 2jkw h ASN 9 CO 0.41 0.38 0.08 -1.59 -1.65 0.00 0.00 177.43 175.07 2jkw s LYS 10 N -4.09 1.08 0.00 0.81 -2.85 -1.26 -0.25 119.74 113.17 2jkw s LYS 10 Ca -0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 2jkw s LYS 10 Cb 0.14 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 2jkw s LYS 10 CO 0.72 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 176.18 2jkw n GLY 11 N 0.33 2.04 0.36 0.59 0.00 0.53 -4.91 105.19 104.13 2jkw n GLY 11 Ca -0.18 -0.97 0.23 0.00 0.00 0.00 0.00 46.02 45.10 2jkw n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jkw h LYS 12 N 0.00 0.38 -0.05 1.61 1.63 -2.02 -0.61 116.57 117.51 2jkw h LYS 12 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2jkw h LYS 12 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2jkw h LYS 12 CO 0.00 0.25 0.00 -3.47 -3.45 0.00 0.00 179.45 172.78 2jkw n ASP 13 N -4.89 1.49 0.00 4.20 2.03 -1.26 -5.01 116.55 113.10 2jkw n ASP 13 Ca 0.30 -1.53 0.00 0.00 0.52 0.00 0.00 54.79 54.07 2jkw n ASP 13 Cb 0.94 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 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 1.16 0.32 3.86 0.27 0.00 -0.24 -5.04 105.19 105.52 2jkw n GLY 14 Ca 0.18 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.91 3.61 -0.41 4.61 0.00 -1.26 -0.35 121.76 126.05 2jkw s ALA 15 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 2jkw s ALA 15 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2jkw s ALA 15 CO 0.00 0.50 0.56 1.19 0.00 0.00 0.00 175.76 178.01 2jkw n PHE 16 N 0.43 -3.23 -4.15 0.00 3.72 0.65 -4.82 117.46 110.06 2jkw n PHE 16 Ca -0.03 1.30 -0.17 0.00 -0.05 0.00 0.00 57.45 58.50 2jkw n PHE 16 Cb 0.52 -3.91 -0.12 0.00 -0.94 0.00 0.00 39.48 35.03 2jkw n PHE 16 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2jkw s VAL 17 N -2.51 0.94 0.01 -4.37 -7.23 -0.72 -3.56 120.40 102.96 2jkw s VAL 17 Ca 0.22 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2jkw s VAL 17 Cb -0.06 -0.92 -0.06 0.00 0.56 0.00 0.00 36.38 35.90 2jkw s VAL 17 CO 0.71 -0.25 0.45 -0.36 -0.31 0.00 0.00 175.10 175.34 2jkw s PHE 18 N -1.25 3.74 -0.10 2.82 0.08 -1.26 -1.25 117.98 120.75 2jkw s PHE 18 Ca -0.04 1.05 -0.01 0.00 0.12 0.00 0.00 56.93 58.05 2jkw s PHE 18 Cb -0.10 -2.35 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 2jkw s PHE 18 CO 0.02 0.61 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.52 2jkw s GLU 19 N -1.00 0.84 0.70 0.44 2.02 -0.18 -2.74 118.70 118.78 2jkw s GLU 19 Ca 0.25 -0.07 -0.13 0.00 0.02 0.00 0.00 54.97 55.04 2jkw s GLU 19 Cb -0.17 -1.31 0.02 0.00 0.10 0.00 0.00 34.13 32.77 2jkw s GLU 19 CO 0.14 -0.35 1.11 -1.25 0.02 0.00 0.00 175.26 174.93 2jkw s PRO 20 N 1.89 2.60 0.01 0.39 0.04 -1.26 -0.70 135.00 137.96 2jkw s PRO 20 Ca 0.04 1.32 0.26 0.00 0.04 0.00 0.00 61.00 62.67 2jkw s PRO 20 Cb -0.13 -1.93 0.75 0.00 0.04 0.00 0.00 34.50 33.23 2jkw s PRO 20 CO -0.06 -1.40 1.59 0.00 0.04 0.00 0.00 177.00 177.17 2jkw n ALA 21 N -2.79 3.09 -3.00 8.56 0.00 -1.11 -4.80 120.51 120.46 2jkw n ALA 21 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2jkw n ALA 21 Cb 0.52 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.08 0.15 -0.10 0.00 1.04 -1.26 -0.70 113.70 109.75 2jkw s SER 22 Ca 0.12 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 2jkw s SER 22 Cb 0.18 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.30 2jkw s SER 22 CO 0.64 -0.01 0.24 -0.22 0.98 0.00 0.00 173.24 174.88 2jkw s LEU 23 N 0.16 0.68 -0.18 2.42 2.96 -0.63 -4.99 118.68 119.11 2jkw s LEU 23 Ca -0.01 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 2jkw s LEU 23 Cb -0.03 0.78 -0.03 0.00 0.50 0.00 0.00 46.19 47.41 2jkw s LEU 23 CO -0.00 -0.13 0.02 -0.75 -1.32 0.00 0.00 176.35 174.16 2jkw s LYS 24 N 0.80 3.81 0.32 1.98 2.36 -1.26 -0.48 119.74 127.27 2jkw s LYS 24 Ca -0.06 -0.44 0.03 0.00 -2.55 0.00 0.00 55.97 52.96 2jkw s LYS 24 Cb -0.07 -3.09 -0.05 0.00 -1.05 0.00 0.00 37.83 33.57 2jkw s LYS 24 CO -0.05 0.21 0.09 0.14 1.55 0.00 0.00 175.35 177.29 2jkw s VAL 25 N 0.49 0.87 0.16 4.02 -7.23 0.14 -4.96 120.40 113.88 2jkw s VAL 25 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2jkw s VAL 25 Cb -0.13 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 2jkw s VAL 25 CO 0.02 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 175.09 2jkw s ALA 26 N -3.41 3.94 0.25 1.32 0.00 -1.26 -0.32 121.76 122.27 2jkw s ALA 26 Ca 0.34 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 2jkw s ALA 26 Cb 0.07 -1.75 -0.12 0.00 0.00 0.00 0.00 23.12 21.32 2jkw s ALA 26 CO 0.15 0.51 1.62 -2.30 0.00 0.00 0.00 175.76 175.74 2jkw n PRO 27 N -0.60 2.61 0.00 0.00 -0.02 -1.26 -1.21 135.00 134.51 2jkw n PRO 27 Ca -0.07 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2jkw n PRO 27 Cb 0.54 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 2.92 1.00 3.80 -1.23 0.00 0.84 -4.98 105.19 107.53 2jkw n GLY 28 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.96 5.12 0.13 1.61 1.01 -0.35 -4.60 116.67 117.64 2jkw s ASP 29 Ca 0.00 1.68 0.09 0.00 0.71 0.00 0.00 52.55 55.03 2jkw s ASP 29 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2jkw s ASP 29 CO 0.00 -1.62 -0.18 0.42 0.21 0.00 0.00 175.17 174.00 2jkw s THR 30 N -3.00 2.79 -0.07 -1.27 -4.23 -0.06 -0.98 115.64 108.83 2jkw s THR 30 Ca 0.59 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 2jkw s THR 30 Cb -0.15 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.40 2jkw s THR 30 CO 0.55 0.05 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.85 2jkw s VAL 31 N -1.26 1.30 -0.24 2.29 1.01 -0.12 -0.41 120.40 122.98 2jkw s VAL 31 Ca 0.19 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2jkw s VAL 31 Cb -0.10 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2jkw s VAL 31 CO 0.10 0.39 0.09 -0.89 0.00 0.00 0.00 175.10 174.79 2jkw s THR 32 N 0.52 4.58 -0.32 3.92 2.01 -0.12 -0.93 115.64 125.31 2jkw s THR 32 Ca -0.14 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 2jkw s THR 32 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2jkw s THR 32 CO 0.04 0.36 0.54 -0.36 -0.69 0.00 0.00 174.62 174.51 2jkw s PHE 33 N 1.31 3.21 -0.21 4.92 0.08 0.17 -1.12 117.98 126.34 2jkw s PHE 33 Ca 0.05 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.45 2jkw s PHE 33 Cb -0.15 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 2jkw s PHE 33 CO 0.04 -0.46 -0.01 0.42 -0.10 0.00 0.00 175.22 175.12 2jkw s ILE 34 N 2.43 3.81 -1.29 0.64 1.01 0.74 -1.68 121.20 126.85 2jkw s ILE 34 Ca 0.21 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 2jkw s ILE 34 Cb -0.15 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.63 2jkw s ILE 34 CO 0.12 0.42 1.84 -0.81 0.00 0.00 0.00 174.94 176.51 2jkw n PRO 35 N 4.42 2.90 -0.22 2.79 -0.04 -1.26 -0.89 135.00 142.70 2jkw n PRO 35 Ca -0.17 -3.04 -0.07 0.00 -0.04 0.00 0.00 63.50 60.17 2jkw n PRO 35 Cb 0.52 -3.48 0.03 0.00 -0.04 0.00 0.00 33.50 30.53 2jkw n PRO 35 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jkw h THR 36 N 5.40 1.22 -3.26 0.52 2.02 -1.89 -3.42 112.91 113.50 2jkw h THR 36 Ca 0.44 -0.60 -0.64 0.00 0.77 0.00 0.00 66.41 66.37 2jkw h THR 36 Cb 0.84 0.47 -0.14 0.00 -1.74 0.00 0.00 68.15 67.58 2jkw h THR 36 CO 1.50 0.25 -0.71 -1.81 0.37 0.00 0.00 175.52 175.12 2jkw s ASP 37 N -6.02 4.51 0.59 4.18 1.01 -1.08 -5.06 116.67 114.80 2jkw s ASP 37 Ca -0.13 -0.41 -0.15 0.00 0.71 0.00 0.00 52.55 52.56 2jkw s ASP 37 Cb 0.13 -0.88 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 2jkw s ASP 37 CO 0.79 0.14 1.05 -0.54 0.21 0.00 0.00 175.17 176.81 2jkw s LYS 38 N -2.53 3.37 0.00 8.23 -0.14 -1.26 -4.43 119.74 122.98 2jkw s LYS 38 Ca 0.24 1.15 0.00 0.00 -1.36 0.00 0.00 55.97 56.00 2jkw s LYS 38 Cb -0.10 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 2jkw s LYS 38 CO 0.16 -0.76 0.00 0.41 -0.76 0.00 0.00 175.35 174.39 2jkw n GLY 39 N -1.15 1.03 3.51 -3.33 0.00 -1.26 -4.95 105.19 99.04 2jkw n GLY 39 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 2.46 0.08 1.61 3.76 -1.26 -4.85 115.29 115.09 2jkw s HIS 40 Ca 0.00 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 2jkw s HIS 40 Cb 0.00 -1.18 -0.00 0.00 1.11 0.00 0.00 32.58 32.50 2jkw s HIS 40 CO 0.00 0.54 0.09 0.27 -0.85 0.00 0.00 174.74 174.79 2jkw n ASN 41 N -0.03 -0.24 -3.91 1.40 6.94 -1.26 -0.95 115.26 117.22 2jkw n ASN 41 Ca -0.10 -1.46 -0.16 0.00 -0.02 0.00 0.00 54.58 52.83 2jkw n ASN 41 Cb 0.56 0.48 -0.15 0.00 -2.36 0.00 0.00 39.78 38.32 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 -2.41 0.31 -0.09 3.53 0.11 -1.26 -3.98 120.40 116.62 2jkw s VAL 42 Ca 0.08 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2jkw s VAL 42 Cb 0.00 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2jkw s VAL 42 CO 0.06 0.12 0.21 -0.70 -3.33 0.00 0.00 175.10 171.46 2jkw s GLU 43 N 0.27 0.21 0.42 1.54 2.12 0.26 -0.53 118.70 122.98 2jkw s GLU 43 Ca -0.03 0.38 -0.26 0.00 0.36 0.00 0.00 54.97 55.42 2jkw s GLU 43 Cb -0.06 0.00 -0.09 0.00 0.26 0.00 0.00 34.13 34.25 2jkw s GLU 43 CO -0.00 -0.09 1.38 0.95 -0.54 0.00 0.00 175.26 176.95 2jkw s THR 44 N 0.62 2.33 -0.07 -1.70 -4.23 -0.14 -0.69 115.64 111.76 2jkw s THR 44 Ca -0.04 0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 2jkw s THR 44 Cb -0.06 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 2jkw s THR 44 CO -0.03 0.05 1.09 -0.63 -0.54 0.00 0.00 174.62 174.55 2jkw s ILE 45 N -1.22 4.54 0.05 2.99 1.01 0.04 -4.83 121.20 123.79 2jkw s ILE 45 Ca 0.58 1.83 -0.31 0.00 0.00 0.00 0.00 60.65 62.75 2jkw s ILE 45 Cb -0.41 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 37.81 2jkw s ILE 45 CO 0.54 0.02 1.54 -0.54 0.00 0.00 0.00 174.94 176.51 2jkw s LYS 46 N 1.93 4.24 0.00 2.79 3.01 -1.26 -1.44 119.74 129.00 2jkw s LYS 46 Ca 0.52 2.19 0.00 0.00 -1.01 0.00 0.00 55.97 57.67 2jkw s LYS 46 Cb -0.22 -3.54 0.00 0.00 -1.01 0.00 0.00 37.83 33.07 2jkw s LYS 46 CO 0.21 -0.65 0.00 0.41 0.51 0.00 0.00 175.35 175.83 2jkw n GLY 47 N 3.83 0.59 1.52 -3.33 0.00 -1.26 -4.96 105.19 101.58 2jkw n GLY 47 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 2.85 -4.26 1.61 2.81 -0.52 -4.84 117.12 112.77 2jkw n MET 48 Ca 0.00 -3.84 -0.17 0.00 -1.81 0.00 0.00 57.70 51.88 2jkw n MET 48 Cb 0.00 -2.02 -0.11 0.00 -0.71 0.00 0.00 33.22 30.38 2jkw n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2jkw s ILE 49 N -4.08 1.32 0.84 2.02 -4.36 -1.26 -1.01 121.20 114.68 2jkw s ILE 49 Ca 0.46 -1.88 -0.11 0.00 -0.26 0.00 0.00 60.65 58.86 2jkw s ILE 49 Cb 0.39 -1.68 0.09 0.00 1.25 0.00 0.00 42.46 42.51 2jkw s ILE 49 CO -0.00 -0.54 1.09 -2.84 0.24 0.00 0.00 174.94 172.89 2jkw s PRO 50 N -3.12 1.73 0.24 0.37 0.02 -1.25 -4.92 135.00 128.07 2jkw s PRO 50 Ca 0.13 1.00 -0.31 0.00 0.02 0.00 0.00 61.00 61.83 2jkw s PRO 50 Cb -0.02 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.53 2jkw s PRO 50 CO 0.03 -1.96 1.61 -0.25 -0.33 0.00 0.00 177.00 176.09 2jkw n ASP 51 N -3.72 3.61 0.00 2.53 8.00 -1.26 -1.74 116.55 123.98 2jkw n ASP 51 Ca 0.08 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2jkw n ASP 51 Cb 0.54 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2jkw n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jkw n GLY 52 N 2.95 1.60 3.81 0.44 0.00 -1.26 -4.90 105.19 107.83 2jkw n GLY 52 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.04 3.02 0.05 4.61 0.00 -0.71 -4.95 121.76 120.73 2jkw s ALA 53 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2jkw s ALA 53 Cb 0.00 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2jkw s ALA 53 CO 0.00 0.00 0.50 -1.21 0.00 0.00 0.00 175.76 175.05 2jkw s GLU 54 N -3.05 4.06 0.74 0.00 2.02 -1.26 -4.93 118.70 116.28 2jkw s GLU 54 Ca 0.62 0.58 -0.11 0.00 0.02 0.00 0.00 54.97 56.08 2jkw s GLU 54 Cb -0.12 -3.21 0.04 0.00 0.10 0.00 0.00 34.13 30.93 2jkw s GLU 54 CO 0.16 0.65 1.08 0.00 0.02 0.00 0.00 175.26 177.18 2jkw s ALA 55 N -1.12 2.39 0.10 5.21 0.00 -1.26 -5.05 121.76 122.02 2jkw s ALA 55 Ca 0.27 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 2jkw s ALA 55 Cb -0.18 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2jkw s ALA 55 CO 0.17 -1.57 0.28 -0.59 0.00 0.00 0.00 175.76 174.04 2jkw s PHE 56 N -2.88 -0.01 -0.26 0.00 -0.12 -1.26 -5.01 117.98 108.44 2jkw s PHE 56 Ca 0.61 -0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 57.06 2jkw s PHE 56 Cb -0.17 0.07 0.11 0.00 -0.63 0.00 0.00 43.02 42.41 2jkw s PHE 56 CO 0.54 -0.59 0.55 0.21 -0.05 0.00 0.00 175.22 175.88 2jkw s LYS 57 N -3.66 0.47 0.54 1.99 2.20 -1.26 -0.97 119.74 119.05 2jkw s LYS 57 Ca 0.03 1.27 -0.00 0.00 -0.36 0.00 0.00 55.97 56.91 2jkw s LYS 57 Cb 0.03 0.63 0.02 0.00 -1.51 0.00 0.00 37.83 37.00 2jkw s LYS 57 CO -0.10 -0.22 0.77 -1.54 -0.36 0.00 0.00 175.35 173.90 2jkw s SER 58 N 2.73 5.41 0.43 1.43 1.04 0.30 -5.00 113.70 120.04 2jkw s SER 58 Ca -0.04 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.39 2jkw s SER 58 Cb -0.12 -1.12 -0.08 0.00 0.10 0.00 0.00 66.02 64.81 2jkw s SER 58 CO -0.16 -1.05 0.84 -0.54 0.98 0.00 0.00 173.24 173.31 2jkw s LYS 59 N -4.76 3.91 0.24 4.02 1.02 -1.26 -4.57 119.74 118.35 2jkw s LYS 59 Ca 0.55 0.71 -0.31 0.00 0.02 0.00 0.00 55.97 56.93 2jkw s LYS 59 Cb -0.10 -2.30 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 2jkw s LYS 59 CO 0.39 -0.07 1.67 -0.89 -0.92 0.00 0.00 175.35 175.52 2jkw n ILE 60 N -1.16 0.42 -0.93 2.17 2.08 -1.26 -1.58 119.36 119.10 2jkw n ILE 60 Ca 0.04 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2jkw n ILE 60 Cb 0.54 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 2jkw n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2jkw n ASN 61 N 3.20 -2.51 -4.71 4.38 3.02 -0.13 -4.95 115.26 113.56 2jkw n ASN 61 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2jkw n ASN 61 Cb 0.35 -1.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 2jkw n ASN 61 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2jkw s GLU 62 N -0.56 4.46 -0.66 3.52 2.12 -0.62 -4.77 118.70 122.18 2jkw s GLU 62 Ca 0.00 1.70 -0.27 0.00 0.36 0.00 0.00 54.97 56.76 2jkw s GLU 62 Cb 0.00 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 31.05 2jkw s GLU 62 CO 0.00 -0.22 1.23 1.21 -0.54 0.00 0.00 175.26 176.94 2jkw s ASN 63 N 1.06 6.30 -0.22 -1.70 2.47 -1.26 -4.56 114.94 117.02 2jkw s ASN 63 Ca 0.57 -0.19 -0.00 0.00 0.42 0.00 0.00 52.86 53.66 2jkw s ASN 63 Cb -0.28 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 36.99 2jkw s ASN 63 CO 0.29 -1.66 -0.12 -0.47 -3.72 0.00 0.00 177.10 171.42 2jkw s TYR 64 N 5.33 2.98 -0.20 0.43 5.04 -0.68 -4.93 117.35 125.32 2jkw s TYR 64 Ca 0.38 -1.65 -0.08 0.00 -2.44 0.00 0.00 57.07 53.28 2jkw s TYR 64 Cb -0.08 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 2jkw s TYR 64 CO 0.20 -0.76 0.09 0.21 -1.34 0.00 0.00 175.55 173.95 2jkw s LYS 65 N 1.29 4.00 -0.00 4.97 2.20 -1.26 -0.66 119.74 130.29 2jkw s LYS 65 Ca 0.01 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.34 2jkw s LYS 65 Cb -0.16 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2jkw s LYS 65 CO -0.08 0.19 -0.12 0.54 -0.36 0.00 0.00 175.35 175.53 2jkw s VAL 66 N 0.62 0.95 -0.22 4.02 0.11 -0.10 -4.98 120.40 120.79 2jkw s VAL 66 Ca 0.05 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.43 2jkw s VAL 66 Cb -0.13 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2jkw s VAL 66 CO 0.01 0.23 0.14 -0.89 -3.33 0.00 0.00 175.10 171.26 2jkw s THR 67 N -0.35 5.39 -0.29 5.04 2.01 -1.26 -0.94 115.64 125.23 2jkw s THR 67 Ca 0.04 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 2jkw s THR 67 Cb -0.05 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2jkw s THR 67 CO -0.00 0.40 0.16 -0.36 -0.69 0.00 0.00 174.62 174.13 2jkw s PHE 68 N 0.67 3.18 -0.04 4.92 0.08 -0.15 -4.95 117.98 121.68 2jkw s PHE 68 Ca 0.08 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.96 2jkw s PHE 68 Cb -0.12 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2jkw s PHE 68 CO 0.01 -0.28 -0.04 0.25 -0.10 0.00 0.00 175.22 175.06 2jkw n THR 69 N 5.02 0.23 -2.38 0.64 -2.24 -1.26 -0.11 114.28 114.18 2jkw n THR 69 Ca -0.14 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 2jkw n THR 69 Cb 0.51 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.08 3.62 0.61 6.98 0.00 -1.26 -4.54 121.76 125.08 2jkw s ALA 70 Ca -0.06 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 2jkw s ALA 70 Cb 0.02 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2jkw s ALA 70 CO 0.09 -1.08 1.21 -2.14 0.00 0.00 0.00 175.76 173.84 2jkw s PRO 71 N 3.17 2.88 0.00 0.00 0.02 -1.26 -4.83 135.00 134.98 2jkw s PRO 71 Ca 0.57 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2jkw s PRO 71 Cb -0.24 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2jkw s PRO 71 CO 0.18 -1.27 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 2jkw n GLY 72 N 0.49 1.00 3.81 0.52 0.00 -0.52 -4.75 105.19 105.74 2jkw n GLY 72 Ca 0.14 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.05 5.11 -0.15 1.61 1.01 -1.26 -0.08 120.40 125.59 2jkw s VAL 73 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.78 2jkw s VAL 73 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2jkw s VAL 73 CO 0.00 0.53 -0.21 -0.31 0.00 0.00 0.00 175.10 175.11 2jkw s TYR 74 N -0.72 2.66 0.00 5.22 1.51 0.46 -3.86 117.35 122.62 2jkw s TYR 74 Ca 0.23 -1.41 -0.23 0.00 -1.01 0.00 0.00 57.07 54.64 2jkw s TYR 74 Cb -0.16 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 2jkw s TYR 74 CO 0.11 -0.66 0.71 0.20 -1.11 0.00 0.00 175.55 174.79 2jkw s GLY 75 N 0.97 2.70 0.21 0.71 0.00 -0.18 -1.21 107.32 110.53 2jkw s GLY 75 Ca -0.03 0.18 0.09 0.00 0.00 0.00 0.00 44.72 44.95 2jkw s GLY 75 CO -0.05 1.04 -0.17 -1.34 0.00 0.00 0.00 173.10 172.58 2jkw s VAL 76 N 0.16 1.93 0.09 1.40 -7.23 -0.12 -0.78 120.40 115.84 2jkw s VAL 76 Ca 0.36 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2jkw s VAL 76 Cb -0.19 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2jkw s VAL 76 CO 0.20 -0.47 0.06 -1.59 -0.31 0.00 0.00 175.10 172.99 2jkw s LYS 77 N -3.35 0.77 -0.18 4.82 -2.85 0.13 -0.71 119.74 118.38 2jkw s LYS 77 Ca 0.22 -1.22 -0.18 0.00 -1.00 0.00 0.00 55.97 53.79 2jkw s LYS 77 Cb -0.03 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 2jkw s LYS 77 CO 0.08 -0.20 0.51 0.00 0.10 0.00 0.00 175.35 175.84 2jkw h THR 79 N 5.01 0.66 -0.01 0.00 2.02 -1.90 -0.07 112.91 118.62 2jkw h THR 79 Ca -0.36 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 2jkw h THR 79 Cb 1.16 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2jkw h THR 79 CO 0.74 0.00 -0.49 1.55 0.37 0.00 0.00 175.52 177.69 2jkw h PRO 80 N -0.26 0.04 -0.56 6.66 0.13 -1.94 -3.30 132.00 132.76 2jkw h PRO 80 Ca 0.03 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2jkw h PRO 80 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2jkw h PRO 80 CO -0.10 0.52 0.00 0.72 -0.23 0.00 0.00 178.00 178.91 2jkw n HIS 81 N -3.95 0.75 -0.09 1.56 8.25 -1.00 -4.58 115.22 116.16 2jkw n HIS 81 Ca -0.02 -0.47 -0.06 0.00 -0.26 0.00 0.00 57.72 56.92 2jkw n HIS 81 Cb 0.52 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.62 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 3.51 -0.10 0.00 4.41 3.20 -1.10 -0.61 116.97 126.28 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 0.89 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2jkw h TYR 82 CO 0.37 -0.11 0.00 0.78 -1.64 0.00 0.00 178.16 177.57 2jkw h GLY 83 N 0.04 0.00 -1.59 1.82 0.00 -1.86 -0.88 103.07 100.60 2jkw h GLY 83 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 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 -2.94 2.17 0.00 4.80 2.81 -0.31 -4.54 117.12 119.10 2jkw n MET 84 Ca -0.02 -1.72 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 2jkw n MET 84 Cb 0.14 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.33 1.01 3.53 3.03 0.00 -0.34 -4.77 105.19 108.98 2jkw n GLY 85 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.67 3.48 0.14 1.61 -2.45 -0.77 -4.64 119.30 116.00 2jkw s MET 86 Ca 0.00 -1.04 -0.06 0.00 -1.25 0.00 0.00 55.69 53.34 2jkw s MET 86 Cb 0.00 -4.97 -0.02 0.00 1.25 0.00 0.00 34.83 31.09 2jkw s MET 86 CO 0.00 -2.09 0.19 0.14 1.05 0.00 0.00 175.02 174.31 2jkw s VAL 87 N 4.65 0.09 0.24 10.11 -7.23 -1.26 -1.37 120.40 125.63 2jkw s VAL 87 Ca 0.40 -1.55 -0.14 0.00 -1.81 0.00 0.00 61.98 58.88 2jkw s VAL 87 Cb -0.04 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2jkw s VAL 87 CO -0.04 -0.43 0.51 -0.83 -0.31 0.00 0.00 175.10 174.01 2jkw s GLY 88 N -2.98 0.37 -0.04 2.32 0.00 0.11 -4.42 107.32 102.68 2jkw s GLY 88 Ca 0.17 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.19 2jkw s GLY 88 CO -0.01 -0.51 -0.07 0.14 0.00 0.00 0.00 173.10 172.65 2jkw s VAL 89 N -3.99 0.71 -0.20 1.40 1.01 0.12 -0.95 120.40 118.51 2jkw s VAL 89 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2jkw s VAL 89 Cb -0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2jkw s VAL 89 CO 0.07 0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.66 2jkw s VAL 90 N 0.66 3.16 -0.21 2.92 1.01 -0.35 -1.60 120.40 125.99 2jkw s VAL 90 Ca -0.10 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2jkw s VAL 90 Cb -0.13 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2jkw s VAL 90 CO 0.01 0.46 0.13 -1.58 0.00 0.00 0.00 175.10 174.12 2jkw s GLN 91 N 1.22 4.09 -0.34 2.72 0.74 0.37 -0.40 119.66 128.06 2jkw s GLN 91 Ca 0.02 -0.27 -0.06 0.00 0.05 0.00 0.00 55.36 55.11 2jkw s GLN 91 Cb -0.14 -3.43 0.05 0.00 1.10 0.00 0.00 33.01 30.58 2jkw s GLN 91 CO -0.03 0.18 0.11 0.08 -0.55 0.00 0.00 175.29 175.09 2jkw s VAL 92 N 0.68 3.73 0.00 1.34 1.01 0.88 -0.69 120.40 127.37 2jkw s VAL 92 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2jkw s VAL 92 Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2jkw s VAL 92 CO 0.01 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.51 2jkw n GLY 93 N 4.80 -2.74 3.92 4.51 0.00 0.56 -1.44 105.19 114.80 2jkw n GLY 93 Ca -0.12 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 2jkw n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkw s ASP 94 N -1.61 6.01 -1.10 1.61 1.01 -1.26 -4.66 116.67 116.67 2jkw s ASP 94 Ca 0.00 0.67 -0.20 0.00 0.71 0.00 0.00 52.55 53.74 2jkw s ASP 94 Cb 0.00 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 41.99 2jkw s ASP 94 CO 0.00 -0.68 0.77 0.00 0.21 0.00 0.00 175.17 175.47 2jkw n ALA 95 N -2.24 -2.58 -1.75 5.23 0.00 -1.26 -4.81 120.51 113.11 2jkw n ALA 95 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2jkw n ALA 95 Cb 0.56 -3.67 -0.03 0.00 0.00 0.00 0.00 19.45 16.32 2jkw n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jkw s PRO 96 N -5.85 4.14 0.00 0.00 0.04 -1.26 -4.86 135.00 127.21 2jkw s PRO 96 Ca 0.42 2.57 0.31 0.00 0.04 0.00 0.00 61.00 64.34 2jkw s PRO 96 Cb -0.16 -3.32 1.72 0.00 0.04 0.00 0.00 34.50 32.78 2jkw s PRO 96 CO 0.87 -0.78 2.14 0.00 0.04 0.00 0.00 177.00 179.27 2jkw n ALA 97 N 4.75 2.58 -1.23 8.56 0.00 -1.26 -3.39 120.51 130.52 2jkw n ALA 97 Ca 0.16 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2jkw n ALA 97 Cb 0.37 -1.50 0.15 0.00 0.00 0.00 0.00 19.45 18.47 2jkw n ALA 97 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jkw n ASN 98 N -1.13 2.13 0.01 0.00 6.94 -1.26 -4.84 115.26 117.10 2jkw n ASN 98 Ca 0.19 -3.26 -0.12 0.00 -0.02 0.00 0.00 54.58 51.38 2jkw n ASN 98 Cb 0.17 -0.45 -0.07 0.00 -2.36 0.00 0.00 39.78 37.07 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 0.25 0.06 -0.85 -4.53 5.85 -1.95 -1.31 115.31 112.84 2jkw h LEU 99 Ca -0.00 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 2jkw h LEU 99 Cb 1.02 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2jkw h LEU 99 CO 0.00 0.18 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.45 2jkw h GLU 100 N -0.06 0.18 -0.16 1.25 4.39 -1.89 0.85 114.58 119.14 2jkw h GLU 100 Ca 0.02 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.65 2jkw h GLU 100 Cb 0.14 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2jkw h GLU 100 CO -0.00 0.64 -0.04 0.00 -1.16 0.00 0.00 179.01 178.46 2jkw h ALA 101 N 1.34 0.11 -0.31 3.43 0.00 -1.84 -1.64 119.26 120.34 2jkw h ALA 101 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2jkw h ALA 101 Cb 0.94 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jkw h ALA 101 CO 0.07 -0.48 -0.23 0.28 0.00 0.00 0.00 179.25 178.89 2jkw h VAL 102 N 0.01 1.27 0.00 0.00 2.07 -0.75 -2.60 116.25 116.24 2jkw h VAL 102 Ca 0.08 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 2jkw h VAL 102 Cb 0.12 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2jkw h VAL 102 CO -0.16 0.42 -0.21 0.11 0.02 0.00 0.00 177.57 177.74 2jkw h LYS 103 N 0.53 0.00 0.00 1.57 1.57 -0.45 -2.86 116.57 116.93 2jkw h LYS 103 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jkw h LYS 103 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2jkw h LYS 103 CO 0.05 0.21 -0.71 0.41 -0.57 0.00 0.00 179.45 178.85 2jkw n GLY 104 N -0.59 -1.21 3.75 3.86 0.00 -0.65 -4.95 105.19 105.39 2jkw n GLY 104 Ca -0.02 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.06 2.56 -0.13 4.61 0.00 -1.05 -4.99 121.76 119.70 2jkw s ALA 105 Ca 0.09 1.12 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 2jkw s ALA 105 Cb 0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2jkw s ALA 105 CO 0.75 -1.30 0.12 0.15 0.00 0.00 0.00 175.76 175.48 2jkw s LYS 106 N -3.24 3.52 0.15 0.00 -0.14 -1.26 -5.07 119.74 113.69 2jkw s LYS 106 Ca 0.77 -0.17 -0.08 0.00 -1.36 0.00 0.00 55.97 55.13 2jkw s LYS 106 Cb -0.34 -3.19 -0.01 0.00 -1.68 0.00 0.00 37.83 32.61 2jkw s LYS 106 CO 0.37 0.69 0.26 -0.80 -0.76 0.00 0.00 175.35 175.12 2jkw s ASN 107 N -0.79 0.07 0.49 2.83 0.01 -1.26 -5.11 114.94 111.18 2jkw s ASN 107 Ca 0.14 -0.86 -0.22 0.00 -0.71 0.00 0.00 52.86 51.21 2jkw s ASN 107 Cb -0.12 0.41 -0.09 0.00 0.41 0.00 0.00 41.25 41.87 2jkw s ASN 107 CO 0.03 -0.86 0.89 -2.65 -1.51 0.00 0.00 177.10 173.00 2jkw n PRO 108 N -0.19 1.05 -0.22 -0.60 -0.02 -1.26 -4.56 135.00 129.21 2jkw n PRO 108 Ca -0.08 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 2jkw n PRO 108 Cb 0.63 -1.98 0.12 0.00 -0.02 0.00 0.00 33.50 32.24 2jkw n PRO 108 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2jkw h LYS 109 N 1.02 0.13 -0.32 -0.52 3.11 -1.95 0.30 116.57 118.33 2jkw h LYS 109 Ca -0.45 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.27 2jkw h LYS 109 Cb 1.36 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 2jkw h LYS 109 CO 0.53 0.09 -0.25 0.87 -2.81 0.00 0.00 179.45 177.88 2jkw h LYS 110 N 0.14 0.64 -0.44 1.90 1.57 -1.89 -1.66 116.57 116.82 2jkw h LYS 110 Ca 0.34 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2jkw h LYS 110 Cb 0.56 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2jkw h LYS 110 CO -0.54 0.84 -0.23 0.00 -0.57 0.00 0.00 179.45 178.94 2jkw h ALA 111 N 1.16 0.62 -0.81 3.86 0.00 -1.25 -3.01 119.26 119.83 2jkw h ALA 111 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2jkw h ALA 111 Cb 0.73 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2jkw h ALA 111 CO 0.06 0.62 0.40 0.37 0.00 0.00 0.00 179.25 180.69 2jkw h GLN 112 N 0.77 1.15 -0.46 0.00 5.75 -0.02 0.21 115.11 122.52 2jkw h GLN 112 Ca 0.10 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2jkw h GLN 112 Cb 0.81 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2jkw h GLN 112 CO 0.07 0.88 0.28 0.93 -2.65 0.00 0.00 178.83 178.33 2jkw h GLU 113 N 1.15 0.62 -0.04 1.69 3.07 -1.29 -0.65 114.58 119.12 2jkw h GLU 113 Ca 0.28 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.91 2jkw h GLU 113 Cb 0.10 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2jkw h GLU 113 CO -0.04 0.46 -0.75 0.00 -1.40 0.00 0.00 179.01 177.28 2jkw h ARG 114 N 0.61 0.27 -0.49 2.33 3.08 -1.33 -1.81 114.38 117.04 2jkw h ARG 114 Ca 0.16 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2jkw h ARG 114 Cb -0.01 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2jkw h ARG 114 CO -0.03 0.90 0.22 -0.07 -1.07 0.00 0.00 179.97 179.92 2jkw h LEU 115 N 0.18 0.65 -0.72 3.04 3.38 -0.77 -0.21 115.31 120.85 2jkw h LEU 115 Ca -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2jkw h LEU 115 Cb 1.32 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2jkw h LEU 115 CO 0.12 0.61 0.40 0.44 0.09 0.00 0.00 178.44 180.10 2jkw h ASP 116 N 0.64 0.90 -0.49 -0.43 3.32 -0.97 0.59 116.42 119.98 2jkw h ASP 116 Ca 0.17 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2jkw h ASP 116 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2jkw h ASP 116 CO -0.02 0.73 -0.06 0.00 -1.72 0.00 0.00 179.24 178.18 2jkw h ALA 117 N 1.20 0.67 -0.51 3.45 0.00 -1.16 -1.18 119.26 121.74 2jkw h ALA 117 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2jkw h ALA 117 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jkw h ALA 117 CO -0.04 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.64 2jkw h ALA 118 N 0.91 0.87 -0.61 0.00 0.00 -0.57 -1.45 119.26 118.41 2jkw h ALA 118 Ca 0.13 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2jkw h ALA 118 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jkw h ALA 118 CO 0.04 0.65 0.15 -0.07 0.00 0.00 0.00 179.25 180.02 2jkw h LEU 119 N 0.85 0.92 -0.78 0.00 3.38 -0.78 -2.53 115.31 116.37 2jkw h LEU 119 Ca 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jkw h LEU 119 Cb 0.63 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2jkw h LEU 119 CO 0.04 0.91 0.43 0.00 0.09 0.00 0.00 178.44 179.91 2jkw h ALA 120 N 1.04 1.00 0.00 1.53 0.00 -0.92 -2.20 119.26 119.72 2jkw h ALA 120 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jkw h ALA 120 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jkw h ALA 120 CO 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.54 2jkw h ALA 121 N 1.23 1.45 0.00 0.00 0.00 -0.98 -0.21 119.26 120.75 2jkw h ALA 121 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jkw h ALA 121 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jkw h ALA 121 CO -0.05 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.76 2jkw n LEU 122 N -4.01 0.00 0.00 0.00 4.77 -0.85 -4.87 117.00 112.03 2jkw n LEU 122 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2jkw n LEU 122 Cb 0.30 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2jkw n LEU 122 CO 0.35 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2jkw n GLY 123 N 1.16 0.93 0.89 -0.72 0.00 -0.09 -5.11 105.19 102.25 2jkw n GLY 123 Ca 0.09 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2jkw n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02