#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 -0.45 -0.01 1.61 1.04 -1.12 -4.97 113.70 109.79 2jkj s SER 1 Ca 0.00 0.77 -0.18 0.00 0.48 0.00 0.00 55.95 57.02 2jkj s SER 1 Cb 0.00 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 2jkj s SER 1 CO 0.00 -0.26 0.52 0.12 0.98 0.00 0.00 173.24 174.60 2jkj s PHE 2 N -0.18 3.68 -0.22 5.02 2.19 -1.26 -0.50 117.98 126.72 2jkj s PHE 2 Ca -0.04 1.10 -0.01 0.00 0.33 0.00 0.00 56.93 58.31 2jkj s PHE 2 Cb -0.03 -2.49 0.02 0.00 -1.31 0.00 0.00 43.02 39.20 2jkj s PHE 2 CO 0.02 0.44 -0.11 0.99 1.83 0.00 0.00 175.22 178.39 2jkj s THR 3 N -0.44 2.66 -0.11 0.12 2.01 -0.00 -4.98 115.64 114.90 2jkj s THR 3 Ca 0.28 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 2jkj s THR 3 Cb -0.17 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 2jkj s THR 3 CO 0.15 0.37 1.70 -2.84 -0.69 0.00 0.00 174.62 173.31 2jkj s PRO 4 N 1.34 4.00 -0.50 4.92 0.02 -1.26 -1.71 135.00 141.81 2jkj s PRO 4 Ca 0.03 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.16 2jkj s PRO 4 Cb -0.15 -4.04 0.21 0.00 0.02 0.00 0.00 34.50 30.55 2jkj s PRO 4 CO -0.07 -1.06 0.81 0.45 -0.33 0.00 0.00 177.00 176.79 2jkj n SER 5 N 7.83 -3.17 0.00 2.53 2.88 -0.51 -4.95 113.62 118.23 2jkj n SER 5 Ca 0.19 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 2jkj n SER 5 Cb 0.44 1.77 0.00 0.00 -0.75 0.00 0.00 64.21 65.66 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 2.36 -1.98 3.95 0.46 0.00 -1.00 -3.69 105.19 105.28 2jkj n GLY 6 Ca 0.14 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.46 2.42 -0.12 2.61 -4.23 -1.26 -4.49 115.64 108.11 2jkj s THR 7 Ca 0.00 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2jkj s THR 7 Cb 0.00 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 2jkj s THR 7 CO 0.00 0.00 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.17 2jkj s THR 8 N -3.05 4.12 -0.10 3.99 2.01 -1.26 -1.64 115.64 119.71 2jkj s THR 8 Ca 0.60 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.31 2jkj s THR 8 Cb -0.10 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 2jkj s THR 8 CO 0.42 0.55 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.95 2jkj s GLY 9 N -0.28 1.57 -0.16 4.40 0.00 0.33 -4.97 107.32 108.21 2jkj s GLY 9 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.87 2jkj s GLY 9 CO 0.02 -0.42 -0.17 -1.59 0.00 0.00 0.00 173.10 170.94 2jkj s THR 10 N -0.13 2.49 -0.38 0.90 2.01 -1.26 -1.08 115.64 118.18 2jkj s THR 10 Ca -0.00 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 2jkj s THR 10 Cb -0.13 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.35 2jkj s THR 10 CO 0.03 0.52 0.25 -0.89 -0.69 0.00 0.00 174.62 173.85 2jkj s THR 11 N 0.89 4.97 -0.06 -0.82 2.01 -0.27 -4.96 115.64 117.41 2jkj s THR 11 Ca -0.04 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2jkj s THR 11 Cb -0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2jkj s THR 11 CO -0.02 -0.23 0.01 -0.54 -0.69 0.00 0.00 174.62 173.16 2jkj s LYS 12 N 1.63 2.96 -0.14 4.92 1.02 -1.26 -1.43 119.74 127.44 2jkj s LYS 12 Ca 0.04 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 2jkj s LYS 12 Cb -0.19 -2.79 0.05 0.00 -0.52 0.00 0.00 37.83 34.39 2jkj s LYS 12 CO 0.09 0.68 0.35 -1.17 -0.92 0.00 0.00 175.35 174.38 2jkj s LEU 13 N -1.13 0.20 -0.25 3.17 2.96 -0.05 -4.62 118.68 118.97 2jkj s LEU 13 Ca 0.16 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 54.74 2jkj s LEU 13 Cb -0.11 1.14 -0.03 0.00 0.50 0.00 0.00 46.19 47.68 2jkj s LEU 13 CO 0.05 -0.17 0.07 -0.89 -1.32 0.00 0.00 176.35 174.09 2jkj s THR 14 N 1.13 4.36 -0.13 3.68 2.01 -0.63 0.63 115.64 126.69 2jkj s THR 14 Ca -0.08 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 2jkj s THR 14 Cb -0.08 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2jkj s THR 14 CO -0.09 0.34 0.23 -0.69 -0.69 0.00 0.00 174.62 173.72 2jkj s VAL 15 N 1.54 5.35 0.38 3.82 1.01 0.83 -1.02 120.40 132.31 2jkj s VAL 15 Ca 0.06 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.51 2jkj s VAL 15 Cb -0.15 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2jkj s VAL 15 CO 0.04 0.50 0.21 0.42 0.00 0.00 0.00 175.10 176.28 2jkj s THR 16 N -0.28 0.25 0.32 3.92 -4.23 0.03 -0.86 115.64 114.80 2jkj s THR 16 Ca 0.15 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2jkj s THR 16 Cb -0.13 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.38 2jkj s THR 16 CO 0.04 0.00 0.44 -0.62 -0.54 0.00 0.00 174.62 173.95 2jkj n GLU 17 N -0.79 0.20 -0.09 3.99 -0.58 -1.26 -1.48 120.64 120.63 2jkj n GLU 17 Ca 0.01 -1.12 -0.06 0.00 -0.42 0.00 0.00 57.16 55.56 2jkj n GLU 17 Cb 0.63 -0.32 -0.00 0.00 -0.57 0.00 0.00 31.44 31.18 2jkj n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jkj h LYS 18 N 0.00 -0.06 -6.28 3.49 3.11 -1.98 -3.35 116.57 111.50 2jkj h LYS 18 Ca -0.15 0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.16 2jkj h LYS 18 Cb 0.52 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.72 2jkj h LYS 18 CO 0.15 -0.04 1.19 0.00 -2.81 0.00 0.00 179.45 177.94 2jkj s GLN 20 N 5.88 3.61 -0.43 0.00 0.74 -1.26 -5.04 119.66 123.17 2jkj s GLN 20 Ca 0.61 -0.50 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 2jkj s GLN 20 Cb -0.13 -3.27 0.12 0.00 1.10 0.00 0.00 33.01 30.82 2jkj s GLN 20 CO 0.26 -0.19 0.24 0.08 -0.55 0.00 0.00 175.29 175.13 2jkj s VAL 21 N 1.59 3.43 -0.34 1.34 1.01 -1.26 -5.07 120.40 121.09 2jkj s VAL 21 Ca 0.06 -2.10 -0.25 0.00 0.00 0.00 0.00 61.98 59.70 2jkj s VAL 21 Cb -0.15 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2jkj s VAL 21 CO 0.03 -0.72 0.88 -0.13 0.00 0.00 0.00 175.10 175.16 2jkj s ARG 22 N 1.07 3.88 -0.13 2.72 0.52 -1.26 -5.04 118.95 120.72 2jkj s ARG 22 Ca 0.09 0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 55.85 2jkj s ARG 22 Cb -0.23 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 2jkj s ARG 22 CO -0.04 -0.85 -0.00 0.08 0.02 0.00 0.00 175.30 174.51 2jkj s VAL 23 N 3.28 4.22 0.00 3.52 1.01 -1.26 -5.01 120.40 126.16 2jkj s VAL 23 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2jkj s VAL 23 Cb -0.13 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2jkj s VAL 23 CO 0.16 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.40 2jkj n GLY 24 N 2.96 -0.80 3.74 4.51 0.00 -1.26 -4.89 105.19 109.44 2jkj n GLY 24 Ca -0.18 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 4.73 0.31 1.61 -0.00 -1.26 -4.93 116.67 113.13 2jkj s ASP 25 Ca 0.00 2.49 -0.30 0.00 -0.00 0.00 0.00 52.55 54.75 2jkj s ASP 25 Cb 0.00 -2.61 -0.12 0.00 -0.00 0.00 0.00 42.92 40.20 2jkj s ASP 25 CO 0.00 -1.91 1.55 -0.11 -0.00 0.00 0.00 175.17 174.70 2jkj n LEU 26 N -1.95 4.38 -3.99 1.23 7.94 -1.26 -5.02 117.00 118.34 2jkj n LEU 26 Ca 0.15 1.17 -0.09 0.00 -1.11 0.00 0.00 56.01 56.12 2jkj n LEU 26 Cb 0.49 -1.59 -0.08 0.00 0.53 0.00 0.00 43.42 42.77 2jkj n LEU 26 CO 0.46 0.10 -0.08 0.42 -1.11 0.00 0.00 177.39 177.18 2jkj s THR 27 N -0.32 0.08 -0.27 1.96 -4.23 -1.26 -5.11 115.64 106.50 2jkj s THR 27 Ca 0.61 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 59.36 2jkj s THR 27 Cb -0.50 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 2jkj s THR 27 CO 0.53 -0.37 1.72 -0.69 -0.54 0.00 0.00 174.62 175.27 2jkj s VAL 28 N -3.97 3.56 0.01 2.29 1.01 -1.26 -4.97 120.40 117.06 2jkj s VAL 28 Ca 0.17 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2jkj s VAL 28 Cb 0.04 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2jkj s VAL 28 CO -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 175.10 174.70 2jkj s ALA 29 N 6.03 0.41 0.06 5.51 0.00 -1.26 -1.61 121.76 130.90 2jkj s ALA 29 Ca 0.76 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 2jkj s ALA 29 Cb -0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2jkj s ALA 29 CO 0.32 0.05 0.17 0.15 0.00 0.00 0.00 175.76 176.45 2jkj s LYS 30 N -0.54 0.73 0.26 0.00 1.02 -0.19 -4.95 119.74 116.07 2jkj s LYS 30 Ca -0.02 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.06 2jkj s LYS 30 Cb -0.04 0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.49 2jkj s LYS 30 CO -0.00 -0.21 0.61 0.95 -0.92 0.00 0.00 175.35 175.78 2jkj s THR 31 N -3.11 4.85 0.44 2.17 -4.23 -1.26 -0.79 115.64 113.71 2jkj s THR 31 Ca -0.01 0.63 0.20 0.00 -1.18 0.00 0.00 61.69 61.33 2jkj s THR 31 Cb 0.02 -3.61 0.39 0.00 1.34 0.00 0.00 72.50 70.64 2jkj s THR 31 CO -0.07 -0.11 1.87 0.08 -0.54 0.00 0.00 174.62 175.85 2jkj h ARG 32 N 2.45 0.32 0.00 3.99 0.11 -1.54 0.37 114.38 120.08 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 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2jkj h ARG 32 CO 0.68 0.21 0.00 0.78 0.10 0.00 0.00 179.97 181.74 2jkj h GLY 33 N 0.33 0.00 1.26 0.08 0.00 -1.86 0.03 103.07 102.91 2jkj h GLY 33 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2jkj h GLY 33 CO -0.14 0.00 -0.40 -1.06 0.00 0.00 0.00 176.54 174.94 2jkj n GLN 34 N -2.99 0.06 -1.01 4.80 6.02 0.13 -4.39 117.38 120.01 2jkj n GLN 34 Ca -0.02 0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 2jkj n GLN 34 Cb 0.11 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 29.75 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 -1.62 6.12 -4.90 1.08 4.77 -0.00 -4.86 117.00 117.59 2jkj n LEU 35 Ca 0.05 -3.39 -0.28 0.00 -0.03 0.00 0.00 56.01 52.36 2jkj n LEU 35 Cb 0.36 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 2jkj n LEU 35 CO 0.33 1.53 0.46 0.42 -1.33 0.00 0.00 177.39 178.81 2jkj s THR 36 N 1.91 4.87 0.18 -5.08 -4.23 -1.26 -1.35 115.64 110.67 2jkj s THR 36 Ca 0.60 0.33 -0.33 0.00 -1.18 0.00 0.00 61.69 61.10 2jkj s THR 36 Cb 0.22 -3.84 -0.14 0.00 1.34 0.00 0.00 72.50 70.08 2jkj s THR 36 CO -0.03 -0.81 1.52 -0.67 -0.54 0.00 0.00 174.62 174.09 2jkj n ASP 37 N -2.12 2.91 0.00 3.99 2.03 -1.26 -1.41 116.55 120.69 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 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 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 2.96 0.00 -1.75 -1.67 0.00 0.13 -4.94 120.51 115.25 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 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.36 3.93 0.20 0.00 0.00 -0.50 -4.49 121.76 117.54 2jkj s ALA 39 Ca 0.00 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 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 -0.91 1.25 -1.25 0.00 0.00 0.00 175.76 174.85 2jkj s PRO 40 N 1.18 4.44 -0.22 0.00 0.04 -1.26 -0.35 135.00 138.82 2jkj s PRO 40 Ca 0.74 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.77 2jkj s PRO 40 Cb -0.49 -3.21 -0.14 0.00 0.04 0.00 0.00 34.50 30.70 2jkj s PRO 40 CO 0.32 -0.17 -0.20 -0.89 0.04 0.00 0.00 177.00 176.11 2jkj n ILE 41 N 2.44 1.26 0.00 0.56 5.41 0.20 -4.92 119.36 124.31 2jkj n ILE 41 Ca 0.05 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.32 2jkj n ILE 41 Cb 0.44 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 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 2.43 2.50 3.90 7.39 0.00 -1.19 -5.01 105.19 115.20 2jkj n GLY 42 Ca -0.39 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 3.64 -0.25 1.61 0.04 -1.26 -1.46 135.00 135.32 2jkj s PRO 43 Ca 0.00 0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.06 2jkj s PRO 43 Cb 0.00 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 31.97 2jkj s PRO 43 CO 0.00 0.21 0.02 0.08 0.04 0.00 0.00 177.00 177.35 2jkj s VAL 44 N -2.08 1.12 0.30 -0.36 1.01 0.10 -4.95 120.40 115.54 2jkj s VAL 44 Ca 0.44 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 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 0.00 175.10 176.71 2jkj s THR 45 N 1.55 3.06 -0.06 3.92 -4.23 -1.26 -0.73 115.64 117.89 2jkj s THR 45 Ca 0.01 1.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2jkj s THR 45 Cb -0.18 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.01 2jkj s THR 45 CO -0.12 0.25 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.47 2jkj s VAL 46 N -1.08 0.65 -0.23 2.29 1.01 0.25 -4.94 120.40 118.36 2jkj s VAL 46 Ca 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 2jkj s VAL 46 Cb -0.36 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.41 2jkj s VAL 46 CO 0.47 0.27 0.07 -1.10 0.00 0.00 0.00 175.10 174.81 2jkj s GLN 47 N 1.17 0.56 0.12 2.72 -1.52 -1.26 -0.92 119.66 120.53 2jkj s GLN 47 Ca -0.07 -0.56 -0.03 0.00 -1.95 0.00 0.00 55.36 52.75 2jkj s GLN 47 Cb -0.14 -1.93 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 2jkj s GLN 47 CO -0.01 -0.78 0.32 0.00 -0.25 0.00 0.00 175.29 174.57 2jkj s ALA 48 N 1.86 3.87 -0.06 6.09 0.00 -0.58 -5.02 121.76 127.91 2jkj s ALA 48 Ca 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 2jkj s ALA 48 Cb -0.17 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 20.96 2jkj s ALA 48 CO -0.16 0.70 0.13 -0.51 0.00 0.00 0.00 175.76 175.92 2jkj s LEU 49 N -2.67 1.11 -0.87 0.00 1.02 -1.26 -4.59 118.68 111.42 2jkj s LEU 49 Ca 0.39 0.27 -0.00 0.00 0.02 0.00 0.00 54.13 54.81 2jkj s LEU 49 Cb -0.12 0.38 0.00 0.00 0.02 0.00 0.00 46.19 46.47 2jkj s LEU 49 CO 0.26 -0.10 0.04 0.61 0.02 0.00 0.00 176.35 177.18 2jkj n GLY 50 N 3.64 -0.04 1.15 -3.19 0.00 -1.26 -4.93 105.19 100.56 2jkj n GLY 50 Ca -0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 1.25 0.00 -0.10 0.00 3.04 -1.92 -1.66 116.42 117.03 2jkj h ASP 52 Ca 0.18 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.94 2jkj h ASP 52 Cb 1.35 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.63 2jkj h ASP 52 CO 0.35 0.02 -0.15 0.00 -2.04 0.00 0.00 179.24 177.42 2jkj n ALA 53 N -2.37 3.13 -2.20 4.15 0.00 -1.26 -3.70 120.51 118.25 2jkj n ALA 53 Ca -0.03 -2.85 -0.12 0.00 0.00 0.00 0.00 53.44 50.44 2jkj n ALA 53 Cb 0.11 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 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 -3.04 0.99 -0.42 0.00 1.81 -0.90 -4.94 118.95 112.46 2jkj s ARG 54 Ca 0.38 -1.46 -0.15 0.00 -1.72 0.00 0.00 55.73 52.78 2jkj s ARG 54 Cb 0.34 -0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.71 2jkj s ARG 54 CO 0.01 -0.12 0.31 -0.65 -0.68 0.00 0.00 175.30 174.16 2jkj s GLN 55 N -3.92 2.96 0.38 3.54 -0.21 -1.26 -1.13 119.66 120.02 2jkj s GLN 55 Ca 0.20 -1.07 -0.26 0.00 0.02 0.00 0.00 55.36 54.25 2jkj s GLN 55 Cb 0.06 -3.98 -0.11 0.00 1.00 0.00 0.00 33.01 29.98 2jkj s GLN 55 CO 0.01 -0.78 1.17 0.28 -2.12 0.00 0.00 175.29 173.85 2jkj n VAL 56 N 5.15 2.28 -3.75 1.09 0.31 -1.26 -0.61 118.33 121.54 2jkj n VAL 56 Ca -0.11 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.61 2jkj n VAL 56 Cb 0.46 -1.38 -0.07 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.17 -0.66 -0.08 3.52 0.00 0.12 -0.86 121.76 122.65 2jkj s ALA 57 Ca 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2jkj s ALA 57 Cb -0.57 0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2jkj s ALA 57 CO 0.59 -0.46 -0.10 -0.51 0.00 0.00 0.00 175.76 175.28 2jkj s LEU 58 N -2.30 1.50 -0.13 0.00 2.01 -0.36 -1.52 118.68 117.88 2jkj s LEU 58 Ca -0.02 -0.28 -0.02 0.00 0.01 0.00 0.00 54.13 53.82 2jkj s LEU 58 Cb 0.00 -0.79 -0.02 0.00 0.01 0.00 0.00 46.19 45.39 2jkj s LEU 58 CO -0.06 -0.01 -0.07 -0.75 1.01 0.00 0.00 176.35 176.47 2jkj s LYS 59 N 0.94 3.44 0.32 1.70 2.20 0.09 -0.81 119.74 127.63 2jkj s LYS 59 Ca -0.09 -0.58 -0.14 0.00 -0.36 0.00 0.00 55.97 54.80 2jkj s LYS 59 Cb -0.15 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.31 2jkj s LYS 59 CO 0.00 0.30 0.72 0.00 -0.36 0.00 0.00 175.35 176.02 2jkj s ALA 60 N 0.18 3.34 0.58 3.13 0.00 -0.56 -0.27 121.76 128.17 2jkj s ALA 60 Ca -0.04 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2jkj s ALA 60 Cb -0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2jkj s ALA 60 CO 0.04 0.32 1.31 -0.51 0.00 0.00 0.00 175.76 176.92 2jkj s ASP 61 N -2.36 5.04 0.40 0.00 1.11 -0.72 -4.84 116.67 115.32 2jkj s ASP 61 Ca 0.53 2.66 0.22 0.00 0.18 0.00 0.00 52.55 56.15 2jkj s ASP 61 Cb -0.10 -2.62 1.22 0.00 1.07 0.00 0.00 42.92 42.48 2jkj s ASP 61 CO 0.19 -1.71 1.69 0.74 1.18 0.00 0.00 175.17 177.26 2jkj h THR 62 N 1.08 0.33 -0.00 -1.27 2.02 -1.93 0.61 112.91 113.74 2jkj h THR 62 Ca -0.51 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2jkj h THR 62 Cb 1.31 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2jkj h THR 62 CO 0.56 0.05 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2jkj n ASP 63 N -4.73 0.02 -0.55 4.18 8.00 -1.26 -3.59 116.55 118.62 2jkj n ASP 63 Ca 0.31 -1.32 0.06 0.00 0.71 0.00 0.00 54.79 54.55 2jkj n ASP 63 Cb 1.11 -0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.30 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 -0.83 2.38 -3.79 -2.24 3.02 0.21 -4.71 115.26 109.31 2jkj n ASN 64 Ca 0.16 -1.69 -0.10 0.00 -0.03 0.00 0.00 54.58 52.93 2jkj n ASN 64 Cb 0.08 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.99 0.04 0.00 3.10 -0.12 -1.24 -1.33 117.98 117.45 2jkj s PHE 65 Ca 0.18 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 2jkj s PHE 65 Cb 0.11 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 2jkj s PHE 65 CO 0.15 -0.74 0.00 0.39 -0.05 0.00 0.00 175.22 174.98 2jkj n GLU 66 N -0.22 0.00 -4.01 1.99 1.02 -1.26 -4.96 120.64 113.19 2jkj n GLU 66 Ca -0.12 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 2jkj n GLU 66 Cb 0.63 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.01 2jkj n GLU 66 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jkj s PHE 70 N 0.00 3.33 -0.20 -0.32 0.40 -1.26 -4.96 117.98 114.96 2jkj s PHE 70 Ca 0.00 0.06 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 2jkj s PHE 70 Cb 0.00 -1.60 0.15 0.00 0.51 0.00 0.00 43.02 42.08 2jkj s PHE 70 CO 0.00 0.52 1.11 -0.59 0.70 0.00 0.00 175.22 176.96 2jkj s PHE 71 N -1.73 -0.27 0.48 0.36 -0.12 -0.44 -2.29 117.98 113.97 2jkj s PHE 71 Ca 0.33 0.47 -0.19 0.00 -0.05 0.00 0.00 56.93 57.49 2jkj s PHE 71 Cb -0.11 0.46 -0.09 0.00 -0.63 0.00 0.00 43.02 42.65 2jkj s PHE 71 CO 0.26 -0.24 0.99 -0.51 -0.05 0.00 0.00 175.22 175.67 2jkj s LEU 72 N -1.01 3.79 -0.05 -1.99 1.02 -0.48 -4.55 118.68 115.40 2jkj s LEU 72 Ca 0.02 1.71 0.04 0.00 0.02 0.00 0.00 54.13 55.92 2jkj s LEU 72 Cb -0.01 -4.53 -0.00 0.00 0.02 0.00 0.00 46.19 41.67 2jkj s LEU 72 CO -0.02 -0.59 -0.17 -0.51 0.02 0.00 0.00 176.35 175.09 2jkj s ILE 73 N -2.29 1.42 0.87 -0.59 1.10 -0.45 -1.18 121.20 120.08 2jkj s ILE 73 Ca 0.62 -0.70 -0.11 0.00 -0.51 0.00 0.00 60.65 59.96 2jkj s ILE 73 Cb -0.11 -1.23 0.12 0.00 0.15 0.00 0.00 42.46 41.39 2jkj s ILE 73 CO 0.22 0.41 1.15 -0.94 -2.11 0.00 0.00 174.94 173.67 2jkj s SER 74 N 0.16 3.28 0.52 4.50 1.04 -0.46 -1.54 113.70 121.20 2jkj s SER 74 Ca -0.07 2.17 0.26 0.00 0.48 0.00 0.00 55.95 58.79 2jkj s SER 74 Cb -0.13 -2.57 1.39 0.00 0.10 0.00 0.00 66.02 64.82 2jkj s SER 74 CO 0.03 -2.87 1.97 0.44 0.98 0.00 0.00 173.24 173.79 2jkj h ASP 75 N -1.57 0.03 -0.05 7.02 5.19 -1.63 0.11 116.42 125.52 2jkj h ASP 75 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2jkj h ASP 75 Cb 1.27 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2jkj h ASP 75 CO 0.44 0.02 0.00 -0.46 -3.12 0.00 0.00 179.24 176.11 2jkj n ASN 76 N -4.36 0.87 -0.73 6.45 2.04 -1.26 -4.90 115.26 113.36 2jkj n ASN 76 Ca 0.12 -1.41 -0.10 0.00 -0.44 0.00 0.00 54.58 52.75 2jkj n ASN 76 Cb 0.67 -0.03 -0.04 0.00 -2.53 0.00 0.00 39.78 37.86 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 -0.27 -4.97 -0.13 0.53 4.05 0.40 -4.86 115.26 110.01 2jkj n ASN 77 Ca 0.18 0.24 -0.27 0.00 0.45 0.00 0.00 54.58 55.18 2jkj n ASN 77 Cb 0.23 -3.31 -0.10 0.00 1.23 0.00 0.00 39.78 37.83 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 -1.64 0.58 -3.45 1.20 0.63 -1.26 -4.93 116.66 107.80 2jkj n ARG 78 Ca -0.10 0.23 -0.38 0.00 -0.92 0.00 0.00 57.85 56.69 2jkj n ARG 78 Cb 0.45 -1.47 -0.06 0.00 0.45 0.00 0.00 32.46 31.83 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 -7.27 6.72 0.07 6.15 1.01 -1.26 -4.96 116.67 117.13 2jkj s ASP 79 Ca -0.37 0.86 0.05 0.00 0.71 0.00 0.00 52.55 53.79 2jkj s ASP 79 Cb 0.14 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2jkj s ASP 79 CO 0.49 0.19 -0.04 -0.54 0.21 0.00 0.00 175.17 175.49 2jkj s LYS 80 N -0.34 2.48 -0.46 8.23 1.02 -1.26 -1.36 119.74 128.05 2jkj s LYS 80 Ca 0.23 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.42 2jkj s LYS 80 Cb -0.16 -2.49 0.14 0.00 -0.52 0.00 0.00 37.83 34.81 2jkj s LYS 80 CO 0.11 0.55 0.28 -1.17 -0.92 0.00 0.00 175.35 174.21 2jkj s LEU 81 N -2.02 2.70 0.15 3.17 2.96 -0.33 -4.94 118.68 120.37 2jkj s LEU 81 Ca 0.22 -2.82 -0.34 0.00 -0.22 0.00 0.00 54.13 50.97 2jkj s LEU 81 Cb -0.11 -0.99 -0.14 0.00 0.50 0.00 0.00 46.19 45.44 2jkj s LEU 81 CO 0.14 -0.23 1.53 -1.22 -1.32 0.00 0.00 176.35 175.25 2jkj n TYR 82 N 3.27 2.14 -4.29 5.38 4.02 -1.26 -1.39 117.16 125.03 2jkj n TYR 82 Ca 0.13 0.34 -0.15 0.00 -0.01 0.00 0.00 57.90 58.21 2jkj n TYR 82 Cb 0.37 -2.50 -0.10 0.00 -0.02 0.00 0.00 39.34 37.08 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 0.80 0.66 -0.08 -0.72 -7.23 -0.97 -0.81 120.40 112.06 2jkj s VAL 83 Ca 0.79 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 2jkj s VAL 83 Cb -0.73 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2jkj s VAL 83 CO 0.40 -0.23 -0.17 0.20 -0.31 0.00 0.00 175.10 174.99 2jkj s ASN 84 N -3.26 3.73 -0.25 4.85 0.01 0.16 -4.41 114.94 115.78 2jkj s ASN 84 Ca 0.31 -0.34 -0.08 0.00 -0.71 0.00 0.00 52.86 52.05 2jkj s ASN 84 Cb 0.07 -1.11 -0.03 0.00 0.41 0.00 0.00 41.25 40.58 2jkj s ASN 84 CO 0.09 0.25 0.09 -0.63 -1.51 0.00 0.00 177.10 175.39 2jkj s ILE 85 N -0.19 4.48 -0.14 0.60 1.01 -1.26 -1.69 121.20 124.02 2jkj s ILE 85 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2jkj s ILE 85 Cb -0.13 -3.10 0.06 0.00 0.01 0.00 0.00 42.46 39.30 2jkj s ILE 85 CO 0.03 0.34 0.31 -0.60 0.00 0.00 0.00 174.94 175.02 2jkj s ARG 86 N 1.54 0.25 0.71 2.79 3.52 -0.90 -4.99 118.95 121.87 2jkj s ARG 86 Ca 0.06 0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 56.23 2jkj s ARG 86 Cb -0.15 -0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.26 2jkj s ARG 86 CO 0.05 -0.21 1.23 -1.25 -0.81 0.00 0.00 175.30 174.30 2jkj s PRO 87 N 1.82 2.26 0.28 5.12 0.04 -1.26 -1.08 135.00 142.17 2jkj s PRO 87 Ca -0.05 1.84 0.26 0.00 0.04 0.00 0.00 61.00 63.08 2jkj s PRO 87 Cb -0.11 -1.84 0.81 0.00 0.04 0.00 0.00 34.50 33.40 2jkj s PRO 87 CO -0.10 -1.76 1.75 1.79 0.04 0.00 0.00 177.00 178.72 2jkj h THR 88 N -0.06 0.00 0.00 1.26 1.35 -1.38 -3.41 112.91 110.67 2jkj h THR 88 Ca -0.48 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2jkj h THR 88 Cb 1.31 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 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 -2.44 0.00 -2.99 5.36 5.75 -1.26 -4.93 116.55 116.04 2jkj n ASP 89 Ca 0.04 0.63 -0.17 0.00 -0.01 0.00 0.00 54.79 55.28 2jkj n ASP 89 Cb 0.40 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 2jkj n ASP 89 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jkj n ASN 90 N -1.05 1.49 -4.21 -1.12 3.02 -1.26 -5.14 115.26 106.98 2jkj n ASN 90 Ca 0.00 -3.02 -0.38 0.00 -0.03 0.00 0.00 54.58 51.15 2jkj n ASN 90 Cb 0.00 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 38.61 2jkj n ASN 90 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jkj n SER 91 N 0.11 -3.98 -4.67 6.41 3.41 -1.26 -4.87 113.62 108.76 2jkj n SER 91 Ca 0.22 0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 58.95 2jkj n SER 91 Cb 0.68 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2jkj n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jkj s ALA 92 N -1.99 3.57 0.16 7.33 0.00 -1.26 -4.84 121.76 124.74 2jkj s ALA 92 Ca 0.54 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.99 2jkj s ALA 92 Cb -0.41 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2jkj s ALA 92 CO 0.69 -0.93 -0.12 -1.58 0.00 0.00 0.00 175.76 173.82 2jkj s TRP 93 N 2.80 1.45 0.05 0.00 0.52 -1.26 -0.73 118.94 121.76 2jkj s TRP 93 Ca 0.52 -0.65 0.06 0.00 0.02 0.00 0.00 56.10 56.04 2jkj s TRP 93 Cb -0.20 -0.71 -0.02 0.00 -1.15 0.00 0.00 33.47 31.38 2jkj s TRP 93 CO 0.15 0.19 -0.16 0.99 0.02 0.00 0.00 176.95 178.15 2jkj s THR 94 N -2.95 1.24 -0.18 2.01 2.01 0.13 -4.86 115.64 113.04 2jkj s THR 94 Ca 0.17 -1.14 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 2jkj s THR 94 Cb -0.00 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2jkj s THR 94 CO 0.03 -0.02 0.03 -0.89 -0.69 0.00 0.00 174.62 173.08 2jkj s THR 95 N -0.95 4.37 -0.27 -0.82 2.01 -1.26 -1.26 115.64 117.47 2jkj s THR 95 Ca 0.02 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 2jkj s THR 95 Cb -0.09 -2.97 0.11 0.00 0.01 0.00 0.00 72.50 69.57 2jkj s THR 95 CO 0.02 0.45 0.22 -0.62 -0.69 0.00 0.00 174.62 174.01 2jkj s ASP 96 N 0.57 2.17 -1.17 3.53 3.68 0.12 -4.95 116.67 120.63 2jkj s ASP 96 Ca 0.01 -0.79 -0.29 0.00 2.13 0.00 0.00 52.55 53.61 2jkj s ASP 96 Cb -0.13 0.21 0.03 0.00 -1.45 0.00 0.00 42.92 41.57 2jkj s ASP 96 CO 0.02 -0.39 0.72 -3.20 0.13 0.00 0.00 175.17 172.45 2jkj n ASN 97 N 5.29 -4.63 0.00 -0.34 5.15 -1.26 -1.24 115.26 118.23 2jkj n ASN 97 Ca -0.04 -1.18 0.00 0.00 -0.60 0.00 0.00 54.58 52.76 2jkj n ASN 97 Cb 0.46 -2.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.41 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 -1.93 0.81 3.40 8.20 0.00 -1.26 -5.01 105.19 109.40 2jkj n GLY 98 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.14 3.11 -0.42 1.61 1.01 -0.38 -1.49 120.40 120.70 2jkj s VAL 99 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2jkj s VAL 99 Cb 0.00 -2.29 0.12 0.00 0.00 0.00 0.00 36.38 34.20 2jkj s VAL 99 CO 0.00 0.54 0.19 0.12 0.00 0.00 0.00 175.10 175.94 2jkj s PHE 100 N 0.15 3.59 0.18 5.22 5.36 0.01 0.14 117.98 132.63 2jkj s PHE 100 Ca -0.07 -2.74 0.08 0.00 -0.96 0.00 0.00 56.93 53.25 2jkj s PHE 100 Cb -0.15 -3.08 -0.04 0.00 -0.34 0.00 0.00 43.02 39.41 2jkj s PHE 100 CO 0.05 -0.92 -0.06 1.52 -1.46 0.00 0.00 175.22 174.34 2jkj s TYR 101 N 0.76 2.71 0.19 10.12 1.13 -0.39 -1.23 117.35 130.64 2jkj s TYR 101 Ca 0.11 -0.19 -0.30 0.00 -1.41 0.00 0.00 57.07 55.28 2jkj s TYR 101 Cb -0.22 -1.31 -0.08 0.00 -1.10 0.00 0.00 41.96 39.25 2jkj s TYR 101 CO -0.05 0.52 0.95 0.21 -2.51 0.00 0.00 175.55 174.67 2jkj s LYS 102 N -2.91 4.79 0.52 -3.49 2.20 -0.04 0.17 119.74 121.00 2jkj s LYS 102 Ca 0.26 1.48 0.34 0.00 -0.36 0.00 0.00 55.97 57.69 2jkj s LYS 102 Cb -0.09 -3.32 1.54 0.00 -1.51 0.00 0.00 37.83 34.46 2jkj s LYS 102 CO 0.17 0.40 2.01 -0.91 -0.36 0.00 0.00 175.35 176.66 2jkj h ASN 103 N 4.70 0.00 -2.77 1.43 -0.26 -1.26 -3.43 115.58 113.99 2jkj h ASN 103 Ca -0.44 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 54.67 2jkj h ASN 103 Cb 1.20 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.31 2jkj h ASN 103 CO 0.69 0.00 -0.77 -0.62 -1.06 0.00 0.00 177.43 175.68 2jkj s ASP 104 N -5.26 3.74 0.52 5.81 3.68 -1.26 -5.08 116.67 118.82 2jkj s ASP 104 Ca 0.00 -0.84 -0.11 0.00 2.13 0.00 0.00 52.55 53.73 2jkj s ASP 104 Cb 0.10 -0.41 -0.05 0.00 -1.45 0.00 0.00 42.92 41.10 2jkj s ASP 104 CO 0.47 0.08 0.91 0.68 0.13 0.00 0.00 175.17 177.45 2jkj s VAL 105 N -1.99 4.73 0.00 1.11 -7.23 -1.26 -4.41 120.40 111.36 2jkj s VAL 105 Ca 0.25 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 2jkj s VAL 105 Cb -0.07 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2jkj s VAL 105 CO 0.13 -0.86 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 2jkj n GLY 106 N -2.11 4.38 3.52 2.32 0.00 -0.29 -4.91 105.19 108.11 2jkj n GLY 106 Ca 0.04 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 4.42 -4.77 1.61 7.64 -1.18 -4.46 113.62 116.88 2jkj n SER 107 Ca 0.00 -2.86 -0.39 0.00 1.01 0.00 0.00 58.87 56.63 2jkj n SER 107 Cb 0.00 -1.73 -0.03 0.00 -1.01 0.00 0.00 64.21 61.44 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 5.71 3.24 -0.06 1.43 -0.00 -1.26 -4.68 118.94 123.33 2jkj s TRP 108 Ca 0.57 1.60 0.01 0.00 -0.00 0.00 0.00 56.10 58.28 2jkj s TRP 108 Cb 0.04 -3.33 0.02 0.00 -0.00 0.00 0.00 33.47 30.20 2jkj s TRP 108 CO 0.08 -1.01 -0.07 0.20 -0.00 0.00 0.00 176.95 176.15 2jkj s GLY 109 N -1.12 0.60 -0.00 5.86 0.00 -1.26 -1.53 107.32 109.88 2jkj s GLY 109 Ca 0.53 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 2jkj s GLY 109 CO 0.38 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.48 2jkj n GLY 110 N 4.09 0.56 3.29 0.20 0.00 -0.10 -5.01 105.19 108.23 2jkj n GLY 110 Ca -0.22 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.11 2.52 -0.29 -0.61 -1.09 -1.26 -0.58 121.20 117.78 2jkj s ILE 111 Ca 0.00 -0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 57.49 2jkj s ILE 111 Cb -0.00 -2.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 2jkj s ILE 111 CO -0.00 0.55 0.09 -0.63 -1.23 0.00 0.00 174.94 173.72 2jkj s ILE 112 N 0.30 4.12 0.16 2.92 -1.09 0.09 -0.86 121.20 126.83 2jkj s ILE 112 Ca -0.14 -0.60 -0.17 0.00 -2.23 0.00 0.00 60.65 57.51 2jkj s ILE 112 Cb -0.17 -3.10 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 2jkj s ILE 112 CO 0.07 0.10 0.62 -0.83 -1.23 0.00 0.00 174.94 173.66 2jkj s GLY 113 N 1.53 2.54 -0.22 6.18 0.00 -0.24 0.00 107.32 117.11 2jkj s GLY 113 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 2jkj s GLY 113 CO 0.03 0.32 -0.03 -0.42 0.00 0.00 0.00 173.10 173.01 2jkj s ILE 114 N -1.44 3.46 0.18 0.90 -1.09 -0.54 -2.11 121.20 120.56 2jkj s ILE 114 Ca 0.39 -0.47 0.08 0.00 -2.23 0.00 0.00 60.65 58.42 2jkj s ILE 114 Cb -0.16 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 2jkj s ILE 114 CO 0.20 0.41 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.84 2jkj s TYR 115 N 1.49 1.78 0.03 3.97 2.02 -0.68 0.62 117.35 126.58 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 -0.14 -0.87 -0.06 0.00 -0.40 0.00 0.00 41.96 40.49 2jkj s TYR 115 CO -0.03 0.34 1.34 0.08 -1.57 0.00 0.00 175.55 175.72 2jkj s VAL 116 N -2.33 3.75 -0.74 0.71 1.01 0.52 0.38 120.40 123.69 2jkj s VAL 116 Ca 0.18 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 2jkj s VAL 116 Cb -0.04 -3.76 0.16 0.00 0.00 0.00 0.00 36.38 32.74 2jkj s VAL 116 CO 0.07 0.03 0.77 -0.62 0.00 0.00 0.00 175.10 175.35 2jkj s ASP 117 N 1.56 6.51 0.00 3.32 2.15 0.01 0.19 116.67 130.41 2jkj s ASP 117 Ca 0.62 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 51.47 2jkj s ASP 117 Cb -0.31 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2jkj s ASP 117 CO 0.27 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2jkj n GLY 118 N 4.76 -1.28 3.63 2.66 0.00 -1.26 -4.73 105.19 108.97 2jkj n GLY 118 Ca 0.05 -1.40 -0.48 0.00 0.00 0.00 0.00 46.02 44.19 2jkj n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jkj n GLN 119 N -0.33 1.69 -2.72 1.61 1.13 -1.26 -4.33 117.38 113.16 2jkj n GLN 119 Ca 0.00 0.61 -0.05 0.00 -1.94 0.00 0.00 57.00 55.62 2jkj n GLN 119 Cb 0.00 -2.30 0.07 0.00 0.11 0.00 0.00 30.24 28.12 2jkj n GLN 119 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jkj n GLN 120 N 2.79 1.37 0.00 -1.09 6.02 -0.46 -4.92 117.38 121.09 2jkj n GLN 120 Ca 0.17 -2.75 0.08 0.00 -0.01 0.00 0.00 57.00 54.49 2jkj n GLN 120 Cb 0.25 -0.87 0.48 0.00 1.02 0.00 0.00 30.24 31.12 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 -0.56 0.03 1.00 5.09 -2.24 -1.24 -1.88 114.28 114.49 2jkj n THR 121 Ca 0.02 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 2jkj n THR 121 Cb 0.83 -0.75 0.18 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.02 2.81 -4.68 3.42 3.02 -1.26 -4.29 115.26 113.26 2jkj n ASN 122 Ca 0.12 -1.92 -0.50 0.00 -0.03 0.00 0.00 54.58 52.25 2jkj n ASN 122 Cb 0.06 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.17 0.36 -1.82 3.41 -1.04 -0.79 -4.89 114.28 110.69 2jkj n THR 123 Ca 0.15 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 2jkj n THR 123 Cb 0.56 -1.58 -0.01 0.00 -1.82 0.00 0.00 70.33 67.48 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 3.04 4.14 0.54 -2.82 0.02 -1.26 -4.78 135.00 133.87 2jkj s PRO 124 Ca 0.91 2.54 -0.21 0.00 0.02 0.00 0.00 61.00 64.25 2jkj s PRO 124 Cb -0.80 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 30.65 2jkj s PRO 124 CO 0.52 -0.57 1.12 -2.30 -0.33 0.00 0.00 177.00 175.44 2jkj n PRO 125 N 1.57 1.31 -3.55 5.54 -0.02 -1.26 -4.85 135.00 133.75 2jkj n PRO 125 Ca 0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2jkj n PRO 125 Cb 0.38 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.06 -1.80 3.48 -1.23 0.00 -0.04 -4.94 105.19 101.72 2jkj n GLY 126 Ca 0.11 -1.35 -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 -2.04 5.50 -0.04 1.61 0.01 -1.26 -0.12 114.94 118.60 2jkj s ASN 127 Ca 0.00 -0.28 0.01 0.00 -0.71 0.00 0.00 52.86 51.88 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 -0.10 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.16 2jkj s TYR 128 N 1.65 3.06 0.02 2.20 2.02 0.20 -1.51 117.35 125.00 2jkj s TYR 128 Ca 0.06 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 2jkj s TYR 128 Cb -0.16 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2jkj s TYR 128 CO 0.06 0.43 -0.07 0.99 -1.57 0.00 0.00 175.55 175.39 2jkj s THR 129 N -0.96 0.51 -0.15 -0.71 2.01 -0.59 -0.87 115.64 114.88 2jkj s THR 129 Ca 0.16 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 2jkj s THR 129 Cb -0.11 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 71.93 2jkj s THR 129 CO 0.06 -0.18 0.03 -0.22 -0.69 0.00 0.00 174.62 173.61 2jkj s LEU 130 N -1.01 0.91 -0.19 4.42 2.96 -0.52 -1.34 118.68 123.92 2jkj s LEU 130 Ca -0.05 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2jkj s LEU 130 Cb -0.07 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 2jkj s LEU 130 CO 0.00 -0.27 0.07 -0.89 -1.32 0.00 0.00 176.35 173.95 2jkj s THR 131 N 1.92 4.80 -0.08 3.68 2.01 -1.26 -1.11 115.64 125.60 2jkj s THR 131 Ca 0.01 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.02 2jkj s THR 131 Cb -0.15 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.19 2jkj s THR 131 CO -0.07 0.44 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.36 2jkj s LEU 132 N 0.51 1.86 -0.09 4.42 1.43 -0.24 -1.75 118.68 124.82 2jkj s LEU 132 Ca 0.04 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jkj s LEU 132 Cb -0.13 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2jkj s LEU 132 CO 0.01 0.10 -0.05 -0.89 0.23 0.00 0.00 176.35 175.75 2jkj s THR 133 N 0.47 3.87 0.40 5.49 2.01 0.62 -0.51 115.64 127.99 2jkj s THR 133 Ca -0.16 -0.40 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 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 0.94 -0.83 -0.69 0.00 0.00 174.62 174.67 2jkj s GLY 134 N -0.51 2.49 0.00 4.40 0.00 -0.65 -0.73 107.32 112.31 2jkj s GLY 134 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2jkj s GLY 134 CO 0.02 0.73 0.00 0.61 0.00 0.00 0.00 173.10 174.46 2jkj n GLY 135 N -0.34 -0.61 3.10 0.20 0.00 -0.57 -1.42 105.19 105.55 2jkj n GLY 135 Ca 0.06 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.29 0.55 -0.29 1.61 1.13 -0.69 -0.70 117.35 115.66 2jkj s TYR 136 Ca 0.00 -1.07 -0.12 0.00 -1.41 0.00 0.00 57.07 54.47 2jkj s TYR 136 Cb 0.00 -0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 40.43 2jkj s TYR 136 CO 0.00 -0.40 0.22 -0.46 -2.51 0.00 0.00 175.55 172.40 2jkj s TRP 137 N -3.93 3.22 0.00 -3.49 -0.11 0.22 -0.82 118.94 114.02 2jkj s TRP 137 Ca 0.09 0.08 0.00 0.00 1.22 0.00 0.00 56.10 57.49 2jkj s TRP 137 Cb 0.08 -2.43 0.00 0.00 -1.50 0.00 0.00 33.47 29.62 2jkj s TRP 137 CO -0.09 -0.21 0.38 0.00 -4.62 0.00 0.00 176.95 172.41