#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkj s SER 1 N 0.00 2.27 -0.11 1.61 0.15 0.56 -4.96 113.70 113.21 2jkj s SER 1 Ca 0.00 -0.39 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 2jkj s SER 1 Cb 0.00 -0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 2jkj s SER 1 CO 0.00 0.21 0.02 0.12 1.20 0.00 0.00 173.24 174.79 2jkj s PHE 2 N -0.56 3.21 -0.23 3.44 2.19 -1.26 -0.39 117.98 124.39 2jkj s PHE 2 Ca 0.07 0.16 -0.02 0.00 0.33 0.00 0.00 56.93 57.47 2jkj s PHE 2 Cb -0.08 -1.88 0.01 0.00 -1.31 0.00 0.00 43.02 39.77 2jkj s PHE 2 CO 0.00 0.39 -0.08 0.99 1.83 0.00 0.00 175.22 178.35 2jkj s THR 3 N -0.55 2.89 -0.08 0.12 2.01 0.64 -4.98 115.64 115.70 2jkj s THR 3 Ca 0.10 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 2jkj s THR 3 Cb -0.12 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.95 2jkj s THR 3 CO 0.02 0.32 1.76 -2.84 -0.69 0.00 0.00 174.62 173.19 2jkj s PRO 4 N 1.37 4.00 -0.49 4.92 0.02 -1.26 -1.60 135.00 141.94 2jkj s PRO 4 Ca 0.03 2.15 0.06 0.00 0.02 0.00 0.00 61.00 63.26 2jkj s PRO 4 Cb -0.15 -4.07 0.22 0.00 0.02 0.00 0.00 34.50 30.52 2jkj s PRO 4 CO -0.06 -1.07 0.84 0.45 -0.33 0.00 0.00 177.00 176.83 2jkj n SER 5 N 7.89 -3.07 0.00 2.53 2.88 -0.45 -4.94 113.62 118.46 2jkj n SER 5 Ca 0.19 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 2jkj n SER 5 Cb 0.43 1.76 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 2jkj n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jkj n GLY 6 N 2.19 -1.74 3.96 0.46 0.00 -1.01 -3.69 105.19 105.36 2jkj n GLY 6 Ca 0.13 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 2jkj n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkj s THR 7 N -2.66 2.55 -0.13 2.61 -4.23 -1.26 -4.51 115.64 108.01 2jkj s THR 7 Ca 0.00 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 2jkj s THR 7 Cb 0.00 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 2jkj s THR 7 CO 0.00 -0.01 0.01 -0.89 -0.54 0.00 0.00 174.62 173.19 2jkj s THR 8 N -2.93 4.32 -0.12 3.99 2.01 -1.26 -1.61 115.64 120.04 2jkj s THR 8 Ca 0.58 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 2jkj s THR 8 Cb -0.10 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2jkj s THR 8 CO 0.41 0.54 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.94 2jkj s GLY 9 N -0.19 1.59 -0.17 4.40 0.00 0.40 -4.97 107.32 108.39 2jkj s GLY 9 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 2jkj s GLY 9 CO 0.02 -0.30 -0.13 -1.59 0.00 0.00 0.00 173.10 171.11 2jkj s THR 10 N 0.08 2.83 -0.36 0.90 2.01 -1.26 -1.16 115.64 118.68 2jkj s THR 10 Ca -0.04 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 2jkj s THR 10 Cb -0.14 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2jkj s THR 10 CO 0.04 0.50 0.24 -0.89 -0.69 0.00 0.00 174.62 173.82 2jkj s THR 11 N 0.93 5.02 -0.08 -0.82 2.01 -0.25 -4.96 115.64 117.50 2jkj s THR 11 Ca -0.03 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 2jkj s THR 11 Cb -0.15 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2jkj s THR 11 CO -0.01 -0.13 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.22 2jkj s LYS 12 N 1.66 2.88 -0.12 4.92 1.02 -1.26 -1.33 119.74 127.50 2jkj s LYS 12 Ca 0.05 -0.47 -0.07 0.00 0.02 0.00 0.00 55.97 55.49 2jkj s LYS 12 Cb -0.18 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.47 2jkj s LYS 12 CO 0.09 0.68 0.30 -1.17 -0.92 0.00 0.00 175.35 174.33 2jkj s LEU 13 N -0.84 0.38 -0.26 3.17 2.96 0.16 -4.62 118.68 119.63 2jkj s LEU 13 Ca 0.13 0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 54.59 2jkj s LEU 13 Cb -0.11 0.94 -0.02 0.00 0.50 0.00 0.00 46.19 47.49 2jkj s LEU 13 CO 0.02 -0.16 0.09 -0.89 -1.32 0.00 0.00 176.35 174.09 2jkj s THR 14 N 1.08 4.40 -0.12 3.68 2.01 -0.68 0.75 115.64 126.75 2jkj s THR 14 Ca -0.08 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 2jkj s THR 14 Cb -0.08 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2jkj s THR 14 CO -0.08 0.27 0.26 -0.69 -0.69 0.00 0.00 174.62 173.70 2jkj s VAL 15 N 1.62 5.31 0.34 3.82 1.01 0.70 -1.01 120.40 132.18 2jkj s VAL 15 Ca 0.06 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.57 2jkj s VAL 15 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2jkj s VAL 15 CO 0.04 0.49 0.16 0.42 0.00 0.00 0.00 175.10 176.21 2jkj s THR 16 N -0.22 0.43 0.37 3.92 -4.23 0.19 -0.87 115.64 115.23 2jkj s THR 16 Ca 0.17 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2jkj s THR 16 Cb -0.13 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.32 2jkj s THR 16 CO 0.05 0.00 0.51 -0.62 -0.54 0.00 0.00 174.62 174.02 2jkj n GLU 17 N -0.71 -0.09 0.00 3.99 1.02 -1.26 -1.51 120.64 122.09 2jkj n GLU 17 Ca -0.01 -1.07 -0.10 0.00 -0.02 0.00 0.00 57.16 55.96 2jkj n GLU 17 Cb 0.65 -0.43 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 2jkj n GLU 17 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jkj h LYS 18 N 0.00 -0.29 -6.09 3.49 1.57 -1.98 -3.36 116.57 109.92 2jkj h LYS 18 Ca -0.17 0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.11 2jkj h LYS 18 Cb 0.53 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2jkj h LYS 18 CO 0.15 -0.19 1.31 0.00 -0.57 0.00 0.00 179.45 180.15 2jkj s GLN 20 N 6.55 3.67 -0.47 0.00 0.74 -1.26 -5.04 119.66 123.85 2jkj s GLN 20 Ca 0.69 -0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.60 2jkj s GLN 20 Cb -0.15 -3.35 0.12 0.00 1.10 0.00 0.00 33.01 30.73 2jkj s GLN 20 CO 0.25 -0.19 0.27 0.08 -0.55 0.00 0.00 175.29 175.15 2jkj s VAL 21 N 1.63 3.44 -0.35 1.34 1.01 -1.26 -5.07 120.40 121.15 2jkj s VAL 21 Ca 0.06 -2.28 -0.26 0.00 0.00 0.00 0.00 61.98 59.50 2jkj s VAL 21 Cb -0.15 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2jkj s VAL 21 CO 0.04 -0.75 0.96 -0.13 0.00 0.00 0.00 175.10 175.22 2jkj s ARG 22 N 0.84 3.93 -0.14 2.72 0.52 -1.26 -5.03 118.95 120.52 2jkj s ARG 22 Ca 0.10 0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 56.01 2jkj s ARG 22 Cb -0.22 -3.77 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 2jkj s ARG 22 CO -0.04 -0.90 -0.02 0.08 0.02 0.00 0.00 175.30 174.44 2jkj s VAL 23 N 3.47 4.11 0.00 3.52 1.01 -1.26 -5.01 120.40 126.23 2jkj s VAL 23 Ca 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2jkj s VAL 23 Cb -0.12 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2jkj s VAL 23 CO 0.17 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2jkj n GLY 24 N 3.20 -0.92 3.73 4.51 0.00 -1.26 -4.90 105.19 109.56 2jkj n GLY 24 Ca -0.17 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 2jkj n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkj s ASP 25 N -4.00 4.57 0.33 1.61 -0.00 -1.26 -4.94 116.67 112.98 2jkj s ASP 25 Ca 0.00 2.43 -0.29 0.00 -0.00 0.00 0.00 52.55 54.68 2jkj s ASP 25 Cb 0.00 -2.60 -0.11 0.00 -0.00 0.00 0.00 42.92 40.21 2jkj s ASP 25 CO 0.00 -2.02 1.54 -0.22 -0.00 0.00 0.00 175.17 174.48 2jkj s LEU 26 N -4.68 4.33 0.13 1.23 2.96 -1.26 -5.02 118.68 116.38 2jkj s LEU 26 Ca 0.77 2.99 -0.08 0.00 -0.22 0.00 0.00 54.13 57.59 2jkj s LEU 26 Cb -0.31 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 42.72 2jkj s LEU 26 CO 0.41 -0.89 0.23 0.42 -1.32 0.00 0.00 176.35 175.19 2jkj s THR 27 N -0.50 0.10 -0.24 3.68 -4.23 -1.26 -5.11 115.64 108.08 2jkj s THR 27 Ca 0.59 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 2jkj s THR 27 Cb -0.47 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 2jkj s THR 27 CO 0.55 -0.44 1.76 -0.69 -0.54 0.00 0.00 174.62 175.26 2jkj s VAL 28 N -3.94 3.50 0.01 2.29 1.01 -1.26 -4.97 120.40 117.04 2jkj s VAL 28 Ca 0.14 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2jkj s VAL 28 Cb 0.04 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2jkj s VAL 28 CO -0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 175.10 174.73 2jkj s ALA 29 N 6.03 0.37 0.07 5.51 0.00 -1.26 -1.69 121.76 130.79 2jkj s ALA 29 Ca 0.79 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 2jkj s ALA 29 Cb -0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2jkj s ALA 29 CO 0.32 0.03 0.17 0.15 0.00 0.00 0.00 175.76 176.43 2jkj s LYS 30 N -0.60 0.77 0.23 0.00 1.02 -0.18 -4.95 119.74 116.02 2jkj s LYS 30 Ca -0.03 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 54.98 2jkj s LYS 30 Cb -0.04 0.31 -0.07 0.00 -0.52 0.00 0.00 37.83 37.50 2jkj s LYS 30 CO -0.00 -0.23 0.57 0.95 -0.92 0.00 0.00 175.35 175.72 2jkj s THR 31 N -3.43 4.90 0.42 2.17 -4.23 -1.26 -0.64 115.64 113.58 2jkj s THR 31 Ca 0.02 0.55 0.19 0.00 -1.18 0.00 0.00 61.69 61.27 2jkj s THR 31 Cb 0.03 -3.63 0.39 0.00 1.34 0.00 0.00 72.50 70.63 2jkj s THR 31 CO -0.09 -0.05 1.84 0.08 -0.54 0.00 0.00 174.62 175.87 2jkj h ARG 32 N 2.62 0.36 -0.00 3.99 0.11 -1.55 0.35 114.38 120.27 2jkj h ARG 32 Ca -0.47 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2jkj h ARG 32 Cb 1.17 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 2jkj h ARG 32 CO 0.68 0.24 0.00 0.78 0.10 0.00 0.00 179.97 181.77 2jkj h GLY 33 N 0.37 0.00 1.35 0.08 0.00 -1.86 0.69 103.07 103.70 2jkj h GLY 33 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2jkj h GLY 33 CO -0.18 0.00 -0.34 -1.06 0.00 0.00 0.00 176.54 174.95 2jkj n GLN 34 N -3.35 0.03 -1.07 4.80 6.02 0.12 -4.39 117.38 119.54 2jkj n GLN 34 Ca -0.03 0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.71 2jkj n GLN 34 Cb 0.07 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 29.74 2jkj n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkj n LEU 35 N -1.57 6.72 -4.89 1.08 4.77 0.23 -4.85 117.00 118.48 2jkj n LEU 35 Ca 0.06 -3.61 -0.29 0.00 -0.03 0.00 0.00 56.01 52.14 2jkj n LEU 35 Cb 0.35 -1.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 2jkj n LEU 35 CO 0.33 1.63 0.46 0.42 -1.33 0.00 0.00 177.39 178.89 2jkj s THR 36 N 2.03 4.86 0.16 -5.08 -4.23 -1.26 -0.35 115.64 111.77 2jkj s THR 36 Ca 0.61 0.38 -0.34 0.00 -1.18 0.00 0.00 61.69 61.17 2jkj s THR 36 Cb 0.20 -3.82 -0.14 0.00 1.34 0.00 0.00 72.50 70.08 2jkj s THR 36 CO -0.03 -0.75 1.52 -0.67 -0.54 0.00 0.00 174.62 174.14 2jkj n ASP 37 N -1.95 2.83 0.00 3.99 2.03 -1.26 -1.31 116.55 120.88 2jkj n ASP 37 Ca 0.01 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2jkj n ASP 37 Cb 0.55 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 2jkj n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkj n ALA 38 N 3.09 0.00 -1.75 -1.67 0.00 0.14 -4.91 120.51 115.40 2jkj n ALA 38 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2jkj n ALA 38 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 2jkj n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkj s ALA 39 N -3.43 3.91 0.23 0.00 0.00 -0.42 -4.50 121.76 117.54 2jkj s ALA 39 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.22 2jkj s ALA 39 Cb 0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 2jkj s ALA 39 CO 0.00 -0.92 1.27 -1.25 0.00 0.00 0.00 175.76 174.86 2jkj s PRO 40 N 1.26 4.43 -0.22 0.00 0.04 -1.26 -0.47 135.00 138.77 2jkj s PRO 40 Ca 0.74 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2jkj s PRO 40 Cb -0.49 -3.18 -0.14 0.00 0.04 0.00 0.00 34.50 30.74 2jkj s PRO 40 CO 0.32 -0.16 -0.20 -0.89 0.04 0.00 0.00 177.00 176.10 2jkj n ILE 41 N 2.12 1.24 0.00 0.56 5.41 0.18 -4.92 119.36 123.95 2jkj n ILE 41 Ca 0.04 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2jkj n ILE 41 Cb 0.43 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 2jkj n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkj n GLY 42 N 2.36 2.22 3.91 7.39 0.00 -1.20 -5.01 105.19 114.86 2jkj n GLY 42 Ca -0.39 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 2jkj n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkj s PRO 43 N -2.00 3.59 -0.25 1.61 0.04 -1.26 -1.39 135.00 135.34 2jkj s PRO 43 Ca 0.00 -0.11 -0.00 0.00 0.04 0.00 0.00 61.00 60.92 2jkj s PRO 43 Cb 0.00 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.90 2jkj s PRO 43 CO 0.00 0.28 0.02 0.08 0.04 0.00 0.00 177.00 177.42 2jkj s VAL 44 N -2.01 1.12 0.32 -0.36 1.01 0.11 -4.95 120.40 115.64 2jkj s VAL 44 Ca 0.42 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2jkj s VAL 44 Cb -0.11 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 2jkj s VAL 44 CO 0.30 -0.32 1.22 0.42 0.00 0.00 0.00 175.10 176.72 2jkj s THR 45 N 1.55 3.03 -0.06 3.92 -4.23 -1.26 -0.55 115.64 118.04 2jkj s THR 45 Ca 0.01 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2jkj s THR 45 Cb -0.18 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.03 2jkj s THR 45 CO -0.12 0.24 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.47 2jkj s VAL 46 N -1.17 0.55 -0.22 2.29 1.01 0.24 -4.93 120.40 118.18 2jkj s VAL 46 Ca 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 2jkj s VAL 46 Cb -0.36 -0.61 0.07 0.00 0.00 0.00 0.00 36.38 35.48 2jkj s VAL 46 CO 0.47 0.25 0.06 -1.10 0.00 0.00 0.00 175.10 174.78 2jkj s GLN 47 N 1.23 0.60 0.09 2.72 -1.52 -1.26 -0.82 119.66 120.69 2jkj s GLN 47 Ca -0.06 -0.55 -0.01 0.00 -1.95 0.00 0.00 55.36 52.79 2jkj s GLN 47 Cb -0.14 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 2jkj s GLN 47 CO -0.02 -0.74 0.26 0.00 -0.25 0.00 0.00 175.29 174.54 2jkj s ALA 48 N 1.84 3.94 -0.04 6.09 0.00 -0.56 -5.02 121.76 128.01 2jkj s ALA 48 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2jkj s ALA 48 Cb -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2jkj s ALA 48 CO -0.14 0.78 0.10 -0.51 0.00 0.00 0.00 175.76 175.99 2jkj s LEU 49 N -2.56 1.32 -0.94 0.00 1.02 -1.26 -4.57 118.68 111.69 2jkj s LEU 49 Ca 0.37 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.72 2jkj s LEU 49 Cb -0.13 0.29 0.00 0.00 0.02 0.00 0.00 46.19 46.38 2jkj s LEU 49 CO 0.27 -0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.17 2jkj n GLY 50 N 3.48 -0.05 1.38 -3.19 0.00 -1.26 -4.93 105.19 100.62 2jkj n GLY 50 Ca -0.18 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2jkj n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkj h ASP 52 N 1.41 0.00 -0.04 0.00 3.04 -1.92 -0.48 116.42 118.43 2jkj h ASP 52 Ca 0.25 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.03 2jkj h ASP 52 Cb 1.41 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.69 2jkj h ASP 52 CO 0.50 0.07 -0.10 0.00 -2.04 0.00 0.00 179.24 177.67 2jkj n ALA 53 N -2.32 2.69 -2.73 4.15 0.00 -1.26 -3.56 120.51 117.49 2jkj n ALA 53 Ca -0.02 -2.74 -0.12 0.00 0.00 0.00 0.00 53.44 50.56 2jkj n ALA 53 Cb 0.16 -0.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 2jkj n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkj s ARG 54 N -2.96 0.55 -0.44 0.00 0.52 -0.99 -4.93 118.95 110.70 2jkj s ARG 54 Ca 0.35 -0.85 -0.22 0.00 -0.52 0.00 0.00 55.73 54.49 2jkj s ARG 54 Cb 0.31 -0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.62 2jkj s ARG 54 CO 0.02 0.01 0.73 -0.65 0.02 0.00 0.00 175.30 175.43 2jkj s GLN 55 N -2.04 3.38 0.33 3.54 -0.21 -1.26 -1.78 119.66 121.62 2jkj s GLN 55 Ca -0.07 -0.18 -0.28 0.00 0.02 0.00 0.00 55.36 54.85 2jkj s GLN 55 Cb -0.07 -3.93 -0.13 0.00 1.00 0.00 0.00 33.01 29.88 2jkj s GLN 55 CO -0.01 -1.06 1.24 0.28 -2.12 0.00 0.00 175.29 173.63 2jkj n VAL 56 N 6.01 1.98 -3.78 1.09 0.31 -1.26 -1.00 118.33 121.67 2jkj n VAL 56 Ca 0.01 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 2jkj n VAL 56 Cb 0.48 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.86 2jkj n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkj s ALA 57 N -1.07 -0.59 -0.08 3.52 0.00 0.00 -0.69 121.76 122.85 2jkj s ALA 57 Ca 0.56 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2jkj s ALA 57 Cb -0.59 0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2jkj s ALA 57 CO 0.62 -0.40 -0.13 -0.51 0.00 0.00 0.00 175.76 175.34 2jkj s LEU 58 N -2.08 1.63 -0.13 0.00 2.01 -0.31 -1.57 118.68 118.23 2jkj s LEU 58 Ca -0.05 -0.33 -0.01 0.00 0.01 0.00 0.00 54.13 53.74 2jkj s LEU 58 Cb -0.01 -0.90 -0.02 0.00 0.01 0.00 0.00 46.19 45.26 2jkj s LEU 58 CO -0.04 0.02 -0.08 -0.75 1.01 0.00 0.00 176.35 176.52 2jkj s LYS 59 N 0.81 3.37 0.31 1.70 2.20 0.08 -0.77 119.74 127.45 2jkj s LYS 59 Ca -0.11 -0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 2jkj s LYS 59 Cb -0.15 -2.75 -0.08 0.00 -1.51 0.00 0.00 37.83 33.34 2jkj s LYS 59 CO 0.02 0.33 0.68 0.00 -0.36 0.00 0.00 175.35 176.02 2jkj s ALA 60 N 0.09 3.40 0.56 3.13 0.00 -0.57 -0.17 121.76 128.21 2jkj s ALA 60 Ca -0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.61 2jkj s ALA 60 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 2jkj s ALA 60 CO 0.03 0.32 1.32 -0.51 0.00 0.00 0.00 175.76 176.92 2jkj s ASP 61 N -2.48 5.25 0.40 0.00 1.11 -0.66 -4.84 116.67 115.45 2jkj s ASP 61 Ca 0.51 2.67 0.23 0.00 0.18 0.00 0.00 52.55 56.14 2jkj s ASP 61 Cb -0.10 -2.63 1.25 0.00 1.07 0.00 0.00 42.92 42.51 2jkj s ASP 61 CO 0.21 -1.58 1.67 0.74 1.18 0.00 0.00 175.17 177.40 2jkj h THR 62 N 1.30 0.27 -0.00 -1.27 2.02 -1.93 0.71 112.91 114.00 2jkj h THR 62 Ca -0.51 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2jkj h THR 62 Cb 1.30 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2jkj h THR 62 CO 0.57 0.04 0.00 0.47 0.37 0.00 0.00 175.52 176.97 2jkj n ASP 63 N -4.79 0.04 -0.53 4.18 8.00 -1.26 -3.60 116.55 118.59 2jkj n ASP 63 Ca 0.33 -1.39 0.06 0.00 0.71 0.00 0.00 54.79 54.49 2jkj n ASP 63 Cb 1.16 -0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.35 2jkj n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkj n ASN 64 N -0.78 2.34 -3.79 -2.24 3.02 0.25 -4.71 115.26 109.35 2jkj n ASN 64 Ca 0.15 -1.68 -0.11 0.00 -0.03 0.00 0.00 54.58 52.90 2jkj n ASN 64 Cb 0.07 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 2jkj n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2jkj s PHE 65 N -0.97 -0.06 -0.35 3.10 -0.12 -1.24 -1.24 117.98 117.11 2jkj s PHE 65 Ca 0.17 -0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.02 2jkj s PHE 65 Cb 0.11 0.05 0.16 0.00 -0.63 0.00 0.00 43.02 42.70 2jkj s PHE 65 CO 0.15 -0.45 0.40 -2.00 -0.05 0.00 0.00 175.22 173.27 2jkj s GLU 66 N -2.30 0.57 -0.60 1.99 2.12 -0.17 -4.98 118.70 115.33 2jkj s GLU 66 Ca -0.07 -0.48 -0.15 0.00 0.36 0.00 0.00 54.97 54.63 2jkj s GLU 66 Cb -0.02 -0.53 0.02 0.00 0.26 0.00 0.00 34.13 33.86 2jkj s GLU 66 CO -0.02 -1.14 0.64 1.04 -0.54 0.00 0.00 175.26 175.24 2jkj n GLN 67 N 4.66 -1.83 -0.63 4.30 6.02 -1.26 -2.94 117.38 125.70 2jkj n GLN 67 Ca 0.07 1.48 0.00 0.00 -0.01 0.00 0.00 57.00 58.54 2jkj n GLN 67 Cb 0.48 -3.91 0.00 0.00 1.02 0.00 0.00 30.24 27.82 2jkj n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkj n GLY 68 N -0.91 1.38 3.38 1.08 0.00 -1.26 -4.99 105.19 103.86 2jkj n GLY 68 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2jkj n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkj s LYS 69 N -0.11 3.47 0.15 1.61 1.02 -1.15 -5.00 119.74 119.72 2jkj s LYS 69 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2jkj s LYS 69 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2jkj s LYS 69 CO 0.00 0.01 0.31 -0.06 -0.92 0.00 0.00 175.35 174.68 2jkj s PHE 70 N 0.95 3.49 -0.19 3.18 0.40 -1.26 -0.99 117.98 123.56 2jkj s PHE 70 Ca -0.00 0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 56.27 2jkj s PHE 70 Cb -0.15 -1.77 0.14 0.00 0.51 0.00 0.00 43.02 41.76 2jkj s PHE 70 CO 0.01 0.48 1.07 -0.59 0.70 0.00 0.00 175.22 176.89 2jkj s PHE 71 N -1.73 -0.30 0.47 0.36 -0.12 -0.37 -2.38 117.98 113.90 2jkj s PHE 71 Ca 0.36 0.52 -0.20 0.00 -0.05 0.00 0.00 56.93 57.57 2jkj s PHE 71 Cb -0.11 0.46 -0.09 0.00 -0.63 0.00 0.00 43.02 42.64 2jkj s PHE 71 CO 0.28 -0.28 0.98 -0.51 -0.05 0.00 0.00 175.22 175.65 2jkj s LEU 72 N -1.07 3.84 -0.04 -1.99 1.02 -0.36 -4.55 118.68 115.52 2jkj s LEU 72 Ca 0.00 1.73 0.05 0.00 0.02 0.00 0.00 54.13 55.93 2jkj s LEU 72 Cb -0.01 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.66 2jkj s LEU 72 CO -0.00 -0.54 -0.18 -0.51 0.02 0.00 0.00 176.35 175.14 2jkj s ILE 73 N -2.22 1.49 0.84 -0.59 1.10 -0.33 -1.21 121.20 120.28 2jkj s ILE 73 Ca 0.63 -0.75 -0.11 0.00 -0.51 0.00 0.00 60.65 59.91 2jkj s ILE 73 Cb -0.11 -1.28 0.10 0.00 0.15 0.00 0.00 42.46 41.32 2jkj s ILE 73 CO 0.19 0.43 1.13 -0.94 -2.11 0.00 0.00 174.94 173.64 2jkj s SER 74 N 0.00 3.63 0.55 4.50 1.04 -0.50 -1.36 113.70 121.55 2jkj s SER 74 Ca -0.03 2.08 0.27 0.00 0.48 0.00 0.00 55.95 58.74 2jkj s SER 74 Cb -0.12 -2.55 1.45 0.00 0.10 0.00 0.00 66.02 64.90 2jkj s SER 74 CO 0.02 -2.63 1.98 0.44 0.98 0.00 0.00 173.24 174.03 2jkj h ASP 75 N -1.42 0.00 -0.04 7.02 3.32 -1.63 0.11 116.42 123.78 2jkj h ASP 75 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2jkj h ASP 75 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2jkj h ASP 75 CO 0.46 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.52 2jkj n ASN 76 N -4.21 1.07 -0.60 6.45 2.04 -1.26 -4.91 115.26 113.85 2jkj n ASN 76 Ca 0.09 -1.43 -0.08 0.00 -0.44 0.00 0.00 54.58 52.73 2jkj n ASN 76 Cb 0.62 -0.02 -0.03 0.00 -2.53 0.00 0.00 39.78 37.81 2jkj n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2jkj n ASN 77 N -0.14 -4.84 -0.13 0.53 4.05 0.37 -4.86 115.26 110.25 2jkj n ASN 77 Ca 0.19 0.19 -0.23 0.00 0.45 0.00 0.00 54.58 55.18 2jkj n ASN 77 Cb 0.27 -3.02 -0.10 0.00 1.23 0.00 0.00 39.78 38.15 2jkj n ASN 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2jkj n ARG 78 N -1.57 0.58 -3.54 1.20 0.63 -1.26 -4.92 116.66 107.78 2jkj n ARG 78 Ca -0.08 0.20 -0.37 0.00 -0.92 0.00 0.00 57.85 56.68 2jkj n ARG 78 Cb 0.41 -1.46 -0.07 0.00 0.45 0.00 0.00 32.46 31.79 2jkj n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jkj s ASP 79 N -6.94 6.56 0.05 6.15 1.01 -1.26 -4.96 116.67 117.28 2jkj s ASP 79 Ca -0.35 0.66 0.03 0.00 0.71 0.00 0.00 52.55 53.60 2jkj s ASP 79 Cb 0.12 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2jkj s ASP 79 CO 0.51 0.18 0.01 -0.54 0.21 0.00 0.00 175.17 175.54 2jkj s LYS 80 N -0.08 2.70 -0.44 8.23 1.02 -1.26 -1.41 119.74 128.49 2jkj s LYS 80 Ca 0.19 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.49 2jkj s LYS 80 Cb -0.14 -2.62 0.14 0.00 -0.52 0.00 0.00 37.83 34.68 2jkj s LYS 80 CO 0.07 0.58 0.25 -1.17 -0.92 0.00 0.00 175.35 174.16 2jkj s LEU 81 N -1.97 2.67 0.17 3.17 2.96 -0.35 -4.94 118.68 120.39 2jkj s LEU 81 Ca 0.23 -2.67 -0.33 0.00 -0.22 0.00 0.00 54.13 51.14 2jkj s LEU 81 Cb -0.12 -1.02 -0.13 0.00 0.50 0.00 0.00 46.19 45.42 2jkj s LEU 81 CO 0.15 -0.26 1.61 -1.22 -1.32 0.00 0.00 176.35 175.31 2jkj n TYR 82 N 3.49 2.39 -4.26 5.38 4.02 -1.26 -1.23 117.16 125.69 2jkj n TYR 82 Ca 0.10 0.22 -0.14 0.00 -0.01 0.00 0.00 57.90 58.06 2jkj n TYR 82 Cb 0.35 -2.57 -0.10 0.00 -0.02 0.00 0.00 39.34 37.00 2jkj n TYR 82 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2jkj s VAL 83 N 0.94 0.62 -0.08 -0.72 -7.23 -1.00 -0.67 120.40 112.26 2jkj s VAL 83 Ca 0.78 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2jkj s VAL 83 Cb -0.64 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 2jkj s VAL 83 CO 0.37 -0.31 -0.17 0.20 -0.31 0.00 0.00 175.10 174.88 2jkj s ASN 84 N -3.22 3.76 -0.24 4.85 0.01 0.19 -4.41 114.94 115.89 2jkj s ASN 84 Ca 0.29 -0.33 -0.08 0.00 -0.71 0.00 0.00 52.86 52.02 2jkj s ASN 84 Cb 0.07 -1.16 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 2jkj s ASN 84 CO 0.07 0.25 0.09 -0.63 -1.51 0.00 0.00 177.10 175.36 2jkj s ILE 85 N -0.14 4.54 -0.16 0.60 1.01 -1.26 -1.61 121.20 124.18 2jkj s ILE 85 Ca -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2jkj s ILE 85 Cb -0.14 -3.12 0.07 0.00 0.01 0.00 0.00 42.46 39.28 2jkj s ILE 85 CO 0.04 0.34 0.36 -0.60 0.00 0.00 0.00 174.94 175.08 2jkj s ARG 86 N 1.43 0.30 0.70 2.79 3.52 -0.86 -4.99 118.95 121.84 2jkj s ARG 86 Ca 0.06 0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 56.30 2jkj s ARG 86 Cb -0.15 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 2jkj s ARG 86 CO 0.04 -0.21 1.23 -1.25 -0.81 0.00 0.00 175.30 174.31 2jkj s PRO 87 N 1.88 2.27 0.46 5.12 0.04 -1.26 -1.23 135.00 142.27 2jkj s PRO 87 Ca -0.06 1.86 0.25 0.00 0.04 0.00 0.00 61.00 63.10 2jkj s PRO 87 Cb -0.10 -1.84 0.56 0.00 0.04 0.00 0.00 34.50 33.16 2jkj s PRO 87 CO -0.11 -1.76 1.69 1.79 0.04 0.00 0.00 177.00 178.65 2jkj h THR 88 N -0.01 0.00 -1.06 1.26 1.35 -1.54 -3.45 112.91 109.45 2jkj h THR 88 Ca -0.49 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2jkj h THR 88 Cb 1.31 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2jkj h THR 88 CO 0.51 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.88 2jkj n ASP 89 N -3.08 0.00 -1.55 5.36 3.85 -1.26 -4.99 116.55 114.87 2jkj n ASP 89 Ca 0.03 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.99 2jkj n ASP 89 Cb 0.48 0.00 0.17 0.00 -1.35 0.00 0.00 41.12 40.42 2jkj n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkj n ASN 90 N 0.00 3.40 -4.80 -1.12 3.02 -1.26 -5.02 115.26 109.48 2jkj n ASN 90 Ca 0.00 -3.76 -0.38 0.00 -0.03 0.00 0.00 54.58 50.41 2jkj n ASN 90 Cb 0.00 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 38.43 2jkj n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jkj s SER 91 N -2.36 7.20 -0.13 6.41 1.04 -1.26 -5.05 113.70 119.56 2jkj s SER 91 Ca 0.49 1.52 -0.20 0.00 0.48 0.00 0.00 55.95 58.25 2jkj s SER 91 Cb 0.43 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 2jkj s SER 91 CO 0.02 0.12 0.55 0.00 0.98 0.00 0.00 173.24 174.90 2jkj s ALA 92 N -1.35 3.46 0.16 5.32 0.00 -1.26 -4.86 121.76 123.23 2jkj s ALA 92 Ca 0.39 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.26 2jkj s ALA 92 Cb -0.20 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2jkj s ALA 92 CO 0.23 -0.14 -0.12 -1.58 0.00 0.00 0.00 175.76 174.15 2jkj s TRP 93 N 0.93 1.41 0.07 0.00 0.52 -1.26 -1.14 118.94 119.47 2jkj s TRP 93 Ca 0.28 -0.66 0.07 0.00 0.02 0.00 0.00 56.10 55.81 2jkj s TRP 93 Cb -0.16 -0.70 -0.03 0.00 -1.15 0.00 0.00 33.47 31.43 2jkj s TRP 93 CO 0.12 0.17 -0.18 0.99 0.02 0.00 0.00 176.95 178.07 2jkj s THR 94 N -2.93 1.45 -0.19 2.01 2.01 1.00 -4.87 115.64 114.12 2jkj s THR 94 Ca 0.16 -1.29 -0.06 0.00 0.31 0.00 0.00 61.69 60.81 2jkj s THR 94 Cb -0.00 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2jkj s THR 94 CO 0.03 -0.01 0.03 -0.89 -0.69 0.00 0.00 174.62 173.08 2jkj s THR 95 N -1.02 4.34 -0.26 -0.82 2.01 -1.26 -1.41 115.64 117.23 2jkj s THR 95 Ca 0.04 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2jkj s THR 95 Cb -0.09 -2.96 0.10 0.00 0.01 0.00 0.00 72.50 69.57 2jkj s THR 95 CO 0.03 0.45 0.19 -0.62 -0.69 0.00 0.00 174.62 173.98 2jkj s ASP 96 N 0.65 2.36 -1.25 3.53 3.68 0.12 -4.95 116.67 120.82 2jkj s ASP 96 Ca 0.01 -0.82 -0.26 0.00 2.13 0.00 0.00 52.55 53.62 2jkj s ASP 96 Cb -0.14 0.08 0.02 0.00 -1.45 0.00 0.00 42.92 41.44 2jkj s ASP 96 CO 0.02 -0.39 0.62 -3.20 0.13 0.00 0.00 175.17 172.35 2jkj n ASN 97 N 5.29 -3.63 0.00 -0.34 5.15 -1.26 -1.04 115.26 119.43 2jkj n ASN 97 Ca -0.05 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 2jkj n ASN 97 Cb 0.46 -2.18 0.00 0.00 -0.53 0.00 0.00 39.78 37.53 2jkj n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkj n GLY 98 N -2.04 0.82 3.46 8.20 0.00 -1.26 -4.98 105.19 109.39 2jkj n GLY 98 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2jkj n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkj s VAL 99 N -3.18 3.30 -0.39 1.61 1.01 -0.20 -1.51 120.40 121.04 2jkj s VAL 99 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2jkj s VAL 99 Cb 0.00 -2.36 0.11 0.00 0.00 0.00 0.00 36.38 34.13 2jkj s VAL 99 CO 0.00 0.56 0.12 0.12 0.00 0.00 0.00 175.10 175.90 2jkj s PHE 100 N -0.23 3.63 0.20 5.22 5.36 0.05 0.15 117.98 132.37 2jkj s PHE 100 Ca 0.02 -2.95 0.09 0.00 -0.96 0.00 0.00 56.93 53.12 2jkj s PHE 100 Cb -0.13 -2.96 -0.04 0.00 -0.34 0.00 0.00 43.02 39.55 2jkj s PHE 100 CO 0.03 -0.91 -0.05 1.52 -1.46 0.00 0.00 175.22 174.34 2jkj s TYR 101 N 0.69 2.70 0.18 10.12 1.13 -0.50 -1.16 117.35 130.51 2jkj s TYR 101 Ca 0.12 -0.20 -0.29 0.00 -1.41 0.00 0.00 57.07 55.28 2jkj s TYR 101 Cb -0.21 -1.28 -0.08 0.00 -1.10 0.00 0.00 41.96 39.29 2jkj s TYR 101 CO -0.06 0.54 0.92 0.21 -2.51 0.00 0.00 175.55 174.65 2jkj s LYS 102 N -3.06 4.75 0.35 -3.49 2.20 0.13 -0.00 119.74 120.62 2jkj s LYS 102 Ca 0.27 1.42 0.26 0.00 -0.36 0.00 0.00 55.97 57.56 2jkj s LYS 102 Cb -0.08 -3.32 1.19 0.00 -1.51 0.00 0.00 37.83 34.11 2jkj s LYS 102 CO 0.17 0.40 1.78 -0.91 -0.36 0.00 0.00 175.35 176.44 2jkj h ASN 103 N 4.76 0.00 -2.03 1.43 -0.26 -1.47 -3.43 115.58 114.58 2jkj h ASN 103 Ca -0.44 0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 54.69 2jkj h ASN 103 Cb 1.20 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.34 2jkj h ASN 103 CO 0.69 0.00 -0.69 -1.81 -1.06 0.00 0.00 177.43 174.56 2jkj s ASP 104 N -4.45 3.84 0.57 5.81 1.01 -1.26 -5.09 116.67 117.10 2jkj s ASP 104 Ca 0.01 -1.06 -0.03 0.00 0.71 0.00 0.00 52.55 52.18 2jkj s ASP 104 Cb 0.09 -0.41 0.02 0.00 1.01 0.00 0.00 42.92 43.62 2jkj s ASP 104 CO 0.36 -0.12 0.84 0.68 0.21 0.00 0.00 175.17 177.14 2jkj s VAL 105 N -2.54 3.38 0.00 -1.27 -7.23 -1.26 -4.31 120.40 107.17 2jkj s VAL 105 Ca 0.32 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2jkj s VAL 105 Cb -0.01 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2jkj s VAL 105 CO 0.17 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2jkj n GLY 106 N -2.47 3.92 3.53 2.32 0.00 -0.22 -4.92 105.19 107.35 2jkj n GLY 106 Ca 0.05 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 2jkj n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkj n SER 107 N 0.00 4.90 -4.77 1.61 7.64 -1.16 -4.45 113.62 117.39 2jkj n SER 107 Ca 0.00 -2.92 -0.39 0.00 1.01 0.00 0.00 58.87 56.57 2jkj n SER 107 Cb 0.00 -1.74 -0.04 0.00 -1.01 0.00 0.00 64.21 61.42 2jkj n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkj s TRP 108 N 4.09 3.37 -0.06 1.43 -0.00 -1.26 -4.70 118.94 121.82 2jkj s TRP 108 Ca 0.53 1.63 0.02 0.00 -0.00 0.00 0.00 56.10 58.29 2jkj s TRP 108 Cb 0.04 -3.32 0.01 0.00 -0.00 0.00 0.00 33.47 30.21 2jkj s TRP 108 CO 0.07 -0.84 -0.11 0.20 -0.00 0.00 0.00 176.95 176.27 2jkj s GLY 109 N -1.01 0.72 -0.01 5.86 0.00 -1.26 -1.50 107.32 110.11 2jkj s GLY 109 Ca 0.50 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 2jkj s GLY 109 CO 0.39 0.11 0.19 0.61 0.00 0.00 0.00 173.10 174.40 2jkj n GLY 110 N 3.74 0.36 3.31 0.20 0.00 -0.00 -5.01 105.19 107.78 2jkj n GLY 110 Ca -0.23 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2jkj n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkj s ILE 111 N -2.01 2.63 -0.30 -0.61 -1.09 -1.26 -0.59 121.20 117.97 2jkj s ILE 111 Ca 0.04 -0.81 -0.08 0.00 -2.23 0.00 0.00 60.65 57.57 2jkj s ILE 111 Cb -0.00 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2jkj s ILE 111 CO -0.00 0.54 0.11 -0.63 -1.23 0.00 0.00 174.94 173.72 2jkj s ILE 112 N 0.35 4.24 0.12 2.92 -1.09 0.28 -1.20 121.20 126.83 2jkj s ILE 112 Ca -0.14 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 57.54 2jkj s ILE 112 Cb -0.17 -3.16 -0.07 0.00 -1.58 0.00 0.00 42.46 37.48 2jkj s ILE 112 CO 0.07 0.09 0.61 -0.83 -1.23 0.00 0.00 174.94 173.65 2jkj s GLY 113 N 1.55 2.63 -0.23 6.18 0.00 -0.37 0.08 107.32 117.18 2jkj s GLY 113 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 2jkj s GLY 113 CO 0.04 0.43 -0.00 -0.42 0.00 0.00 0.00 173.10 173.15 2jkj s ILE 114 N -1.26 3.70 0.15 0.90 -1.09 -0.49 -2.03 121.20 121.08 2jkj s ILE 114 Ca 0.34 -0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.45 2jkj s ILE 114 Cb -0.18 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2jkj s ILE 114 CO 0.20 0.40 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.82 2jkj s TYR 115 N 1.51 1.71 0.01 3.97 2.02 -0.64 0.48 117.35 126.41 2jkj s TYR 115 Ca 0.06 -0.50 -0.30 0.00 -0.37 0.00 0.00 57.07 55.96 2jkj s TYR 115 Cb -0.15 -0.86 -0.06 0.00 -0.40 0.00 0.00 41.96 40.50 2jkj s TYR 115 CO -0.01 0.28 1.39 0.08 -1.57 0.00 0.00 175.55 175.72 2jkj s VAL 116 N -2.10 3.71 -0.75 0.71 1.01 0.38 0.55 120.40 123.90 2jkj s VAL 116 Ca 0.14 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 2jkj s VAL 116 Cb -0.05 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.76 2jkj s VAL 116 CO 0.06 0.01 0.82 -0.62 0.00 0.00 0.00 175.10 175.36 2jkj s ASP 117 N 1.78 6.49 0.00 3.32 2.15 0.15 0.23 116.67 130.79 2jkj s ASP 117 Ca 0.63 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.58 2jkj s ASP 117 Cb -0.31 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2jkj s ASP 117 CO 0.27 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 2jkj n GLY 118 N 4.89 -1.65 3.67 2.66 0.00 -1.26 -4.73 105.19 108.78 2jkj n GLY 118 Ca 0.06 -1.20 -0.46 0.00 0.00 0.00 0.00 46.02 44.42 2jkj n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkj n GLN 119 N 0.17 2.21 -2.82 1.61 -0.00 -1.26 -4.39 117.38 112.92 2jkj n GLN 119 Ca 0.00 0.80 -0.17 0.00 -0.00 0.00 0.00 57.00 57.64 2jkj n GLN 119 Cb 0.00 -2.61 -0.00 0.00 -0.00 0.00 0.00 30.24 27.63 2jkj n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jkj n GLN 120 N 4.62 1.70 0.00 2.61 6.02 0.53 -4.89 117.38 127.97 2jkj n GLN 120 Ca 0.19 -3.67 0.08 0.00 -0.01 0.00 0.00 57.00 53.59 2jkj n GLN 120 Cb 0.30 -1.65 0.45 0.00 1.02 0.00 0.00 30.24 30.36 2jkj n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkj n THR 121 N -0.05 0.17 1.15 5.09 -2.24 -1.23 -2.01 114.28 115.15 2jkj n THR 121 Ca 0.21 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 2jkj n THR 121 Cb 0.70 -0.79 0.21 0.00 -2.10 0.00 0.00 70.33 68.35 2jkj n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkj n ASN 122 N -1.08 2.23 -4.68 3.42 3.02 -1.26 -4.29 115.26 112.61 2jkj n ASN 122 Ca 0.11 -1.66 -0.54 0.00 -0.03 0.00 0.00 54.58 52.46 2jkj n ASN 122 Cb 0.07 0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 2jkj n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jkj n THR 123 N 0.57 0.30 -1.83 3.41 -1.04 -0.85 -4.88 114.28 109.97 2jkj n THR 123 Ca 0.14 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 2jkj n THR 123 Cb 0.49 -1.34 -0.01 0.00 -1.82 0.00 0.00 70.33 67.65 2jkj n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkj s PRO 124 N 2.99 4.13 0.58 -2.82 0.02 -1.26 -4.78 135.00 133.87 2jkj s PRO 124 Ca 0.93 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 64.29 2jkj s PRO 124 Cb -0.93 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 30.55 2jkj s PRO 124 CO 0.57 -0.53 1.17 -2.30 -0.33 0.00 0.00 177.00 175.58 2jkj n PRO 125 N 1.02 1.25 -3.47 5.54 -0.02 -1.26 -4.85 135.00 133.22 2jkj n PRO 125 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2jkj n PRO 125 Cb 0.39 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2jkj n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkj n GLY 126 N 1.02 -1.74 3.47 -1.23 0.00 -0.05 -4.94 105.19 101.72 2jkj n GLY 126 Ca 0.13 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 2jkj n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkj s ASN 127 N -2.02 5.50 -0.05 1.61 0.01 -1.26 -0.22 114.94 118.52 2jkj s ASN 127 Ca 0.00 -0.32 -0.00 0.00 -0.71 0.00 0.00 52.86 51.82 2jkj s ASN 127 Cb 0.00 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 2jkj s ASN 127 CO 0.00 -0.11 0.01 -0.31 -1.51 0.00 0.00 177.10 175.17 2jkj s TYR 128 N 1.64 3.13 0.03 2.20 2.02 0.23 -1.49 117.35 125.12 2jkj s TYR 128 Ca 0.06 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 2jkj s TYR 128 Cb -0.16 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2jkj s TYR 128 CO 0.06 0.47 -0.08 0.99 -1.57 0.00 0.00 175.55 175.43 2jkj s THR 129 N -0.99 0.54 -0.15 -0.71 2.01 -0.47 -0.67 115.64 115.21 2jkj s THR 129 Ca 0.17 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 2jkj s THR 129 Cb -0.11 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 71.87 2jkj s THR 129 CO 0.06 -0.26 0.05 -0.22 -0.69 0.00 0.00 174.62 173.57 2jkj s LEU 130 N -1.24 0.65 -0.20 4.42 2.96 -0.44 -1.19 118.68 123.63 2jkj s LEU 130 Ca -0.07 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2jkj s LEU 130 Cb -0.08 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 2jkj s LEU 130 CO 0.00 -0.30 0.09 -0.89 -1.32 0.00 0.00 176.35 173.93 2jkj s THR 131 N 2.02 4.87 -0.08 3.68 2.01 -1.26 -1.09 115.64 125.79 2jkj s THR 131 Ca 0.02 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2jkj s THR 131 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2jkj s THR 131 CO -0.07 0.42 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.32 2jkj s LEU 132 N 0.68 1.92 -0.10 4.42 1.43 -0.31 -1.65 118.68 125.08 2jkj s LEU 132 Ca 0.05 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2jkj s LEU 132 Cb -0.13 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2jkj s LEU 132 CO 0.02 0.12 -0.05 -0.89 0.23 0.00 0.00 176.35 175.78 2jkj s THR 133 N 0.38 3.87 0.43 5.49 2.01 0.77 -0.45 115.64 128.14 2jkj s THR 133 Ca -0.15 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 2jkj s THR 133 Cb -0.16 -2.62 -0.11 0.00 0.01 0.00 0.00 72.50 69.62 2jkj s THR 133 CO 0.06 0.57 0.96 -0.83 -0.69 0.00 0.00 174.62 174.69 2jkj s GLY 134 N -0.47 2.40 0.00 4.40 0.00 -0.63 -0.74 107.32 112.28 2jkj s GLY 134 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2jkj s GLY 134 CO 0.02 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.43 2jkj n GLY 135 N -0.61 -0.59 3.06 0.20 0.00 -0.61 -1.34 105.19 105.29 2jkj n GLY 135 Ca 0.07 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2jkj n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkj s TYR 136 N -3.32 0.56 -0.00 1.61 1.13 -0.63 -0.82 117.35 115.88 2jkj s TYR 136 Ca 0.00 -0.66 0.04 0.00 -1.41 0.00 0.00 57.07 55.04 2jkj s TYR 136 Cb 0.00 -0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 2jkj s TYR 136 CO 0.00 -0.17 -0.10 -0.46 -2.51 0.00 0.00 175.55 172.31 2jkj s TRP 137 N -2.12 2.81 0.03 -3.49 -0.00 -0.17 -0.26 118.94 115.73 2jkj s TRP 137 Ca -0.06 -0.09 -0.10 0.00 -0.00 0.00 0.00 56.10 55.85 2jkj s TRP 137 Cb -0.05 -1.59 0.01 0.00 -0.00 0.00 0.00 33.47 31.83 2jkj s TRP 137 CO -0.02 0.32 0.22 0.00 -0.00 0.00 0.00 176.95 177.46 2jkj s ALA 138 N -0.93 -0.45 -1.45 5.86 0.00 0.48 -4.12 121.76 121.15 2jkj s ALA 138 Ca 0.15 -0.15 0.12 0.00 0.00 0.00 0.00 51.96 52.08 2jkj s ALA 138 Cb -0.11 0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.34 2jkj s ALA 138 CO 0.06 -0.33 0.87 0.36 0.00 0.00 0.00 175.76 176.71