#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkn s SER 1 N 0.00 2.21 -0.20 1.61 0.15 0.18 -4.97 113.70 112.68 2jkn s SER 1 Ca 0.00 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.16 2jkn s SER 1 Cb 0.00 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.26 2jkn s SER 1 CO 0.00 0.04 0.16 0.12 1.20 0.00 0.00 173.24 174.76 2jkn s PHE 2 N 0.77 3.41 -0.38 3.44 2.19 -1.26 -1.23 117.98 124.92 2jkn s PHE 2 Ca -0.12 0.36 -0.10 0.00 0.33 0.00 0.00 56.93 57.40 2jkn s PHE 2 Cb -0.16 -2.20 0.04 0.00 -1.31 0.00 0.00 43.02 39.40 2jkn s PHE 2 CO 0.02 0.26 0.21 0.99 1.83 0.00 0.00 175.22 178.53 2jkn s THR 3 N 0.45 4.37 0.16 0.12 2.01 0.36 -4.98 115.64 118.13 2jkn s THR 3 Ca 0.09 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.73 2jkn s THR 3 Cb -0.12 -3.51 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 2jkn s THR 3 CO -0.01 -0.30 1.78 -2.84 -0.69 0.00 0.00 174.62 172.56 2jkn s PRO 4 N 1.50 4.13 -0.40 4.92 0.02 -1.26 -2.01 135.00 141.90 2jkn s PRO 4 Ca 0.02 2.59 0.01 0.00 0.02 0.00 0.00 61.00 63.64 2jkn s PRO 4 Cb -0.20 -3.37 0.19 0.00 0.02 0.00 0.00 34.50 31.13 2jkn s PRO 4 CO 0.05 -0.80 0.83 0.45 -0.33 0.00 0.00 177.00 177.20 2jkn s SER 5 N 2.06 -1.01 0.00 2.53 0.15 -0.40 -4.93 113.70 112.09 2jkn s SER 5 Ca 0.78 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2jkn s SER 5 Cb -0.47 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2jkn s SER 5 CO 0.34 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2jkn n GLY 6 N 3.70 -1.16 3.95 9.45 0.00 -1.11 -3.61 105.19 116.41 2jkn n GLY 6 Ca 0.11 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 2jkn n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkn s THR 7 N -2.84 2.52 -0.13 2.61 -4.23 -1.26 -4.64 115.64 107.67 2jkn s THR 7 Ca 0.00 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 2jkn s THR 7 Cb 0.00 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2jkn s THR 7 CO 0.00 0.00 -0.04 -0.89 -0.54 0.00 0.00 174.62 173.15 2jkn s THR 8 N -2.52 3.87 -0.11 3.99 2.01 -1.26 -1.33 115.64 120.29 2jkn s THR 8 Ca 0.51 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 2jkn s THR 8 Cb -0.05 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2jkn s THR 8 CO 0.31 0.53 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.88 2jkn s GLY 9 N -0.04 1.70 -0.18 4.40 0.00 0.08 -4.97 107.32 108.31 2jkn s GLY 9 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.88 2jkn s GLY 9 CO 0.03 -0.40 -0.20 -1.59 0.00 0.00 0.00 173.10 170.94 2jkn s THR 10 N -0.29 2.09 -0.26 0.90 2.01 -1.26 -0.73 115.64 118.11 2jkn s THR 10 Ca 0.04 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 2jkn s THR 10 Cb -0.13 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2jkn s THR 10 CO 0.02 0.54 0.16 -0.89 -0.69 0.00 0.00 174.62 173.77 2jkn s THR 11 N 1.22 5.23 0.00 -0.82 2.01 0.10 -4.96 115.64 118.43 2jkn s THR 11 Ca 0.03 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.24 2jkn s THR 11 Cb -0.13 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2jkn s THR 11 CO -0.11 0.30 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.36 2jkn s LYS 12 N 1.41 1.69 -0.11 4.92 1.02 -1.26 -0.46 119.74 126.94 2jkn s LYS 12 Ca 0.07 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 2jkn s LYS 12 Cb -0.15 -1.68 0.05 0.00 -0.52 0.00 0.00 37.83 35.53 2jkn s LYS 12 CO 0.07 0.45 0.25 -1.17 -0.92 0.00 0.00 175.35 174.04 2jkn s LEU 13 N -0.70 0.36 -0.25 3.17 2.96 -0.17 -4.63 118.68 119.42 2jkn s LEU 13 Ca 0.08 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.44 2jkn s LEU 13 Cb -0.09 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 2jkn s LEU 13 CO -0.00 -0.17 0.14 -0.89 -1.32 0.00 0.00 176.35 174.10 2jkn s THR 14 N 1.31 5.00 -0.12 3.68 2.01 -0.47 -0.16 115.64 126.88 2jkn s THR 14 Ca -0.09 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 2jkn s THR 14 Cb -0.10 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2jkn s THR 14 CO -0.09 0.32 0.18 -0.69 -0.69 0.00 0.00 174.62 173.65 2jkn s VAL 15 N 1.38 5.43 0.39 3.82 1.01 0.20 -0.95 120.40 131.69 2jkn s VAL 15 Ca 0.06 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.40 2jkn s VAL 15 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2jkn s VAL 15 CO 0.06 0.57 0.20 0.42 0.00 0.00 0.00 175.10 176.36 2jkn s THR 16 N -0.72 0.30 0.41 3.92 -4.23 -0.17 -1.24 115.64 113.92 2jkn s THR 16 Ca 0.15 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2jkn s THR 16 Cb -0.12 -2.36 0.09 0.00 1.34 0.00 0.00 72.50 71.45 2jkn s THR 16 CO 0.04 0.00 0.57 -0.62 -0.54 0.00 0.00 174.62 174.07 2jkn n GLU 17 N -0.84 -0.03 -0.24 3.99 -0.58 -1.26 -0.94 120.64 120.74 2jkn n GLU 17 Ca -0.01 -1.30 -0.05 0.00 -0.42 0.00 0.00 57.16 55.38 2jkn n GLU 17 Cb 0.63 -0.45 0.05 0.00 -0.57 0.00 0.00 31.44 31.11 2jkn n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jkn h LYS 18 N 0.00 0.85 -6.51 3.49 3.11 -1.97 -3.34 116.57 112.20 2jkn h LYS 18 Ca -0.19 -0.05 -0.57 0.00 -2.81 0.00 0.00 60.65 57.04 2jkn h LYS 18 Cb 0.62 -0.19 -0.08 0.00 -1.00 0.00 0.00 32.23 31.58 2jkn h LYS 18 CO 0.17 0.56 0.88 0.00 -2.81 0.00 0.00 179.45 178.26 2jkn s GLN 20 N 4.58 3.00 -0.38 0.00 0.74 -1.25 -5.05 119.66 121.29 2jkn s GLN 20 Ca 0.43 -0.83 -0.03 0.00 0.05 0.00 0.00 55.36 54.98 2jkn s GLN 20 Cb -0.08 -2.56 0.09 0.00 1.10 0.00 0.00 33.01 31.56 2jkn s GLN 20 CO 0.27 -0.20 0.15 0.08 -0.55 0.00 0.00 175.29 175.05 2jkn s VAL 21 N 1.26 3.28 -0.26 1.34 1.01 -1.26 -5.07 120.40 120.69 2jkn s VAL 21 Ca 0.04 -1.83 -0.22 0.00 0.00 0.00 0.00 61.98 59.97 2jkn s VAL 21 Cb -0.13 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2jkn s VAL 21 CO -0.12 -0.53 0.72 -0.13 0.00 0.00 0.00 175.10 175.05 2jkn s ARG 22 N 1.19 4.10 -0.15 2.72 0.52 -1.26 -5.04 118.95 121.03 2jkn s ARG 22 Ca 0.05 0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 55.92 2jkn s ARG 22 Cb -0.22 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.57 2jkn s ARG 22 CO -0.03 -0.50 -0.08 0.08 0.02 0.00 0.00 175.30 174.79 2jkn s VAL 23 N 2.70 3.42 0.00 3.52 1.01 -1.26 -5.02 120.40 124.77 2jkn s VAL 23 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2jkn s VAL 23 Cb -0.15 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2jkn s VAL 23 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2jkn n GLY 24 N 3.67 -1.31 3.64 4.51 0.00 -1.26 -4.93 105.19 109.51 2jkn n GLY 24 Ca -0.18 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2jkn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkn n ASP 25 N -0.27 0.75 -4.71 1.61 10.43 -1.26 -4.90 116.55 118.20 2jkn n ASP 25 Ca 0.00 0.67 -0.43 0.00 2.57 0.00 0.00 54.79 57.59 2jkn n ASP 25 Cb 0.00 -1.44 -0.03 0.00 1.84 0.00 0.00 41.12 41.49 2jkn n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2jkn n LEU 26 N -2.03 3.74 -4.27 0.64 7.94 -1.26 -5.00 117.00 116.75 2jkn n LEU 26 Ca 0.13 1.09 -0.15 0.00 -1.11 0.00 0.00 56.01 55.97 2jkn n LEU 26 Cb 0.49 -1.52 -0.10 0.00 0.53 0.00 0.00 43.42 42.82 2jkn n LEU 26 CO 0.48 -0.01 -0.23 0.42 -1.11 0.00 0.00 177.39 176.94 2jkn s THR 27 N 0.77 0.25 -0.32 1.96 -4.23 -1.26 -5.11 115.64 107.70 2jkn s THR 27 Ca 0.73 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.95 2jkn s THR 27 Cb -0.56 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 70.74 2jkn s THR 27 CO 0.38 0.00 1.08 -0.69 -0.54 0.00 0.00 174.62 174.86 2jkn s VAL 28 N -3.89 4.49 0.01 2.29 1.01 -1.26 -5.00 120.40 118.05 2jkn s VAL 28 Ca 0.38 1.72 0.01 0.00 0.00 0.00 0.00 61.98 64.09 2jkn s VAL 28 Cb 0.07 -4.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 2jkn s VAL 28 CO 0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 175.10 174.71 2jkn s ALA 29 N 3.68 0.34 0.03 5.51 0.00 -1.26 -1.37 121.76 128.69 2jkn s ALA 29 Ca 0.46 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 2jkn s ALA 29 Cb -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2jkn s ALA 29 CO 0.16 0.02 -0.02 0.15 0.00 0.00 0.00 175.76 176.06 2jkn s LYS 30 N -0.62 0.38 0.61 0.00 1.02 -0.12 -4.95 119.74 116.06 2jkn s LYS 30 Ca -0.04 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 2jkn s LYS 30 Cb -0.05 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2jkn s LYS 30 CO -0.00 -0.07 1.03 0.95 -0.92 0.00 0.00 175.35 176.35 2jkn s THR 31 N -2.00 4.31 0.55 2.17 -4.23 -1.26 -1.00 115.64 114.19 2jkn s THR 31 Ca -0.11 0.90 0.22 0.00 -1.18 0.00 0.00 61.69 61.51 2jkn s THR 31 Cb -0.06 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.47 2jkn s THR 31 CO -0.03 -0.84 2.18 0.08 -0.54 0.00 0.00 174.62 175.47 2jkn h ARG 32 N 0.02 0.00 0.00 3.99 0.11 -1.33 -1.68 114.38 115.49 2jkn h ARG 32 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 2jkn h ARG 32 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jkn h ARG 32 CO 0.60 0.00 -0.03 0.78 0.10 0.00 0.00 179.97 181.41 2jkn h GLY 33 N 0.00 0.00 0.59 0.08 0.00 -1.85 -2.38 103.07 99.51 2jkn h GLY 33 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jkn h GLY 33 CO -0.00 0.00 -0.14 -1.06 0.00 0.00 0.00 176.54 175.34 2jkn n GLN 34 N -3.18 0.83 -1.47 4.80 6.02 -0.63 -4.37 117.38 119.37 2jkn n GLN 34 Ca -0.01 -0.37 -0.31 0.00 -0.01 0.00 0.00 57.00 56.31 2jkn n GLN 34 Cb 0.24 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 2jkn n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkn n LEU 35 N -0.77 7.36 -4.89 1.08 4.77 -0.90 -4.87 117.00 118.78 2jkn n LEU 35 Ca 0.14 -4.19 -0.29 0.00 -0.03 0.00 0.00 56.01 51.64 2jkn n LEU 35 Cb 0.30 -1.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.01 2jkn n LEU 35 CO 0.24 1.93 0.67 0.42 -1.33 0.00 0.00 177.39 179.31 2jkn s THR 36 N 0.14 4.01 0.23 -5.08 -4.23 -1.26 -0.95 115.64 108.50 2jkn s THR 36 Ca 0.63 0.48 -0.32 0.00 -1.18 0.00 0.00 61.69 61.30 2jkn s THR 36 Cb 0.25 -3.62 -0.13 0.00 1.34 0.00 0.00 72.50 70.34 2jkn s THR 36 CO -0.09 -0.77 1.50 -0.67 -0.54 0.00 0.00 174.62 174.05 2jkn n ASP 37 N -2.78 3.10 0.00 3.99 2.03 -1.26 -1.66 116.55 119.97 2jkn n ASP 37 Ca 0.06 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2jkn n ASP 37 Cb 0.56 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 2jkn n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkn n ALA 38 N 2.44 0.00 -1.72 -1.67 0.00 0.83 -4.93 120.51 115.45 2jkn n ALA 38 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2jkn n ALA 38 Cb 0.32 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2jkn n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkn n ALA 39 N 1.00 2.79 -2.12 0.00 0.00 -0.67 -4.52 120.51 116.99 2jkn n ALA 39 Ca 0.00 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 2jkn n ALA 39 Cb 0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 2jkn n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jkn s PRO 40 N 0.88 4.47 -0.24 0.00 0.04 -1.26 -0.70 135.00 138.20 2jkn s PRO 40 Ca 0.73 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 2jkn s PRO 40 Cb -0.50 -3.26 -0.17 0.00 0.04 0.00 0.00 34.50 30.60 2jkn s PRO 40 CO 0.35 -0.13 -0.11 -0.89 0.04 0.00 0.00 177.00 176.26 2jkn n ILE 41 N 2.83 1.56 0.00 0.56 5.41 0.56 -4.92 119.36 125.36 2jkn n ILE 41 Ca 0.05 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2jkn n ILE 41 Cb 0.45 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2jkn n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkn n GLY 42 N 1.80 1.54 3.89 7.39 0.00 -1.19 -5.03 105.19 113.58 2jkn n GLY 42 Ca -0.45 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2jkn n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkn s PRO 43 N -2.00 3.71 -0.19 1.61 0.04 -1.26 -1.61 135.00 135.30 2jkn s PRO 43 Ca 0.00 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.20 2jkn s PRO 43 Cb 0.00 -2.62 0.04 0.00 0.04 0.00 0.00 34.50 31.95 2jkn s PRO 43 CO 0.00 0.23 -0.10 0.08 0.04 0.00 0.00 177.00 177.25 2jkn s VAL 44 N -2.00 1.56 0.36 -0.36 1.01 0.61 -4.96 120.40 116.62 2jkn s VAL 44 Ca 0.46 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 2jkn s VAL 44 Cb -0.11 -1.62 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 2jkn s VAL 44 CO 0.27 0.20 0.99 0.42 0.00 0.00 0.00 175.10 176.98 2jkn s THR 45 N 1.44 4.02 -0.04 3.92 -4.23 -1.26 -0.42 115.64 119.07 2jkn s THR 45 Ca -0.00 1.59 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 2jkn s THR 45 Cb -0.16 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 69.86 2jkn s THR 45 CO -0.08 0.05 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.34 2jkn s VAL 46 N -1.67 0.35 -0.21 2.29 1.01 -0.05 -4.93 120.40 117.18 2jkn s VAL 46 Ca 0.54 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 2jkn s VAL 46 Cb -0.19 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 35.82 2jkn s VAL 46 CO 0.25 0.20 0.07 -1.10 0.00 0.00 0.00 175.10 174.51 2jkn s GLN 47 N 1.21 0.46 0.02 2.72 -1.52 -1.26 -0.93 119.66 120.35 2jkn s GLN 47 Ca -0.07 -0.42 -0.08 0.00 -1.95 0.00 0.00 55.36 52.84 2jkn s GLN 47 Cb -0.14 -1.92 -0.05 0.00 -0.22 0.00 0.00 33.01 30.69 2jkn s GLN 47 CO -0.02 -0.73 0.31 0.00 -0.25 0.00 0.00 175.29 174.60 2jkn s ALA 48 N 1.93 3.81 -0.01 6.09 0.00 -0.24 -5.01 121.76 128.34 2jkn s ALA 48 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2jkn s ALA 48 Cb -0.17 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.82 2jkn s ALA 48 CO -0.14 0.62 -0.06 -0.51 0.00 0.00 0.00 175.76 175.67 2jkn s LEU 49 N -1.73 1.96 -0.86 0.00 1.02 -1.26 -4.56 118.68 113.25 2jkn s LEU 49 Ca 0.28 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.32 2jkn s LEU 49 Cb -0.14 -0.33 0.00 0.00 0.02 0.00 0.00 46.19 45.75 2jkn s LEU 49 CO 0.16 0.07 0.00 0.61 0.02 0.00 0.00 176.35 177.21 2jkn n GLY 50 N 3.00 0.57 1.68 -3.19 0.00 -1.26 -4.94 105.19 101.05 2jkn n GLY 50 Ca -0.14 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2jkn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkn h ASP 52 N 1.47 0.00 -0.12 0.00 3.45 -1.92 -2.33 116.42 116.97 2jkn h ASP 52 Ca 0.36 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.82 2jkn h ASP 52 Cb 1.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 2jkn h ASP 52 CO 0.76 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.43 2jkn n ALA 53 N -2.51 2.59 -2.34 3.45 0.00 -1.26 -3.64 120.51 116.80 2jkn n ALA 53 Ca -0.03 -2.49 -0.16 0.00 0.00 0.00 0.00 53.44 50.76 2jkn n ALA 53 Cb 0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 2jkn n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkn s ARG 54 N -2.86 1.11 -0.41 0.00 1.81 -0.91 -4.92 118.95 112.77 2jkn s ARG 54 Ca 0.37 -1.43 -0.19 0.00 -1.72 0.00 0.00 55.73 52.76 2jkn s ARG 54 Cb 0.31 -0.81 0.02 0.00 -0.45 0.00 0.00 34.95 34.01 2jkn s ARG 54 CO 0.06 0.13 0.53 -0.65 -0.68 0.00 0.00 175.30 174.69 2jkn s GLN 55 N -3.43 3.31 0.36 3.54 -0.21 -1.26 -1.55 119.66 120.42 2jkn s GLN 55 Ca 0.16 -0.45 -0.27 0.00 0.02 0.00 0.00 55.36 54.82 2jkn s GLN 55 Cb -0.00 -3.92 -0.12 0.00 1.00 0.00 0.00 33.01 29.97 2jkn s GLN 55 CO 0.03 -0.85 1.25 0.28 -2.12 0.00 0.00 175.29 173.87 2jkn n VAL 56 N 5.59 2.12 -3.76 1.09 0.31 -1.26 -1.26 118.33 121.15 2jkn n VAL 56 Ca -0.04 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.67 2jkn n VAL 56 Cb 0.48 -1.50 -0.08 0.00 -0.91 0.00 0.00 33.84 31.83 2jkn n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkn s ALA 57 N -1.12 -0.66 -0.08 3.52 0.00 -0.10 -0.92 121.76 122.41 2jkn s ALA 57 Ca 0.57 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.56 2jkn s ALA 57 Cb -0.57 0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2jkn s ALA 57 CO 0.61 -0.39 -0.16 -0.51 0.00 0.00 0.00 175.76 175.30 2jkn s LEU 58 N -2.00 1.81 -0.15 0.00 2.01 0.01 -1.00 118.68 119.36 2jkn s LEU 58 Ca -0.06 -0.39 -0.02 0.00 0.01 0.00 0.00 54.13 53.67 2jkn s LEU 58 Cb -0.01 -1.03 -0.02 0.00 0.01 0.00 0.00 46.19 45.14 2jkn s LEU 58 CO -0.03 0.08 -0.08 -0.75 1.01 0.00 0.00 176.35 176.58 2jkn s LYS 59 N 0.52 3.51 0.36 1.70 2.20 -0.33 0.03 119.74 127.74 2jkn s LYS 59 Ca -0.15 -0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 54.63 2jkn s LYS 59 Cb -0.16 -2.80 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 2jkn s LYS 59 CO 0.05 0.18 0.91 0.00 -0.36 0.00 0.00 175.35 176.14 2jkn s ALA 60 N 0.48 3.16 0.70 3.13 0.00 0.21 -0.84 121.76 128.61 2jkn s ALA 60 Ca -0.06 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 2jkn s ALA 60 Cb -0.15 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2jkn s ALA 60 CO 0.04 0.18 1.13 -0.25 0.00 0.00 0.00 175.76 176.86 2jkn n ASP 61 N -0.06 1.18 -0.33 0.00 9.92 -0.73 -4.86 116.55 121.67 2jkn n ASP 61 Ca 0.04 0.72 0.17 0.00 -0.53 0.00 0.00 54.79 55.19 2jkn n ASP 61 Cb 0.52 -1.48 0.40 0.00 -0.64 0.00 0.00 41.12 39.92 2jkn n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jkn h THR 62 N -0.06 0.61 0.00 -3.53 2.02 -1.93 0.70 112.91 110.71 2jkn h THR 62 Ca -0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2jkn h THR 62 Cb 1.33 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2jkn h THR 62 CO 0.49 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2jkn n ASP 63 N -4.75 0.00 -0.93 4.18 8.00 -1.26 -3.39 116.55 118.40 2jkn n ASP 63 Ca 0.25 -0.31 0.09 0.00 0.71 0.00 0.00 54.79 55.52 2jkn n ASP 63 Cb 0.71 -0.19 0.20 0.00 -0.02 0.00 0.00 41.12 41.83 2jkn n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkn n ASN 64 N -1.19 3.22 -3.80 -2.24 5.03 0.24 -4.76 115.26 111.77 2jkn n ASN 64 Ca 0.14 -1.94 -0.11 0.00 0.87 0.00 0.00 54.58 53.55 2jkn n ASN 64 Cb 0.15 -0.28 -0.08 0.00 -1.02 0.00 0.00 39.78 38.56 2jkn n ASN 64 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2jkn s PHE 65 N -1.10 -0.02 -0.26 3.10 -0.12 -1.22 -1.26 117.98 117.10 2jkn s PHE 65 Ca 0.33 -0.19 -0.05 0.00 -0.05 0.00 0.00 56.93 56.96 2jkn s PHE 65 Cb 0.18 0.04 0.14 0.00 -0.63 0.00 0.00 43.02 42.74 2jkn s PHE 65 CO 0.24 -0.49 0.52 -2.00 -0.05 0.00 0.00 175.22 173.45 2jkn s GLU 66 N -2.75 0.47 -0.42 1.99 2.12 -0.52 -4.98 118.70 114.61 2jkn s GLU 66 Ca -0.04 1.05 -0.20 0.00 0.36 0.00 0.00 54.97 56.14 2jkn s GLU 66 Cb -0.00 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.81 2jkn s GLU 66 CO -0.05 -0.41 0.48 1.04 -0.54 0.00 0.00 175.26 175.78 2jkn n GLN 67 N 5.41 -1.33 -0.06 4.30 6.02 -1.26 -1.13 117.38 129.33 2jkn n GLN 67 Ca -0.07 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 2jkn n GLN 67 Cb 0.50 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.25 2jkn n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkn n GLY 68 N -0.50 2.83 3.54 1.08 0.00 -1.26 -5.01 105.19 105.87 2jkn n GLY 68 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2jkn n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkn s LYS 69 N -0.00 2.63 0.17 1.61 1.02 -0.29 -5.02 119.74 119.86 2jkn s LYS 69 Ca 0.00 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.43 2jkn s LYS 69 Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2jkn s LYS 69 CO 0.00 0.65 0.09 -0.06 -0.92 0.00 0.00 175.35 175.10 2jkn s PHE 70 N -0.78 3.04 -0.07 3.18 0.40 -1.26 -1.44 117.98 121.06 2jkn s PHE 70 Ca 0.12 -0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 2jkn s PHE 70 Cb -0.11 -1.46 0.08 0.00 0.51 0.00 0.00 43.02 42.04 2jkn s PHE 70 CO 0.01 0.52 0.72 -0.59 0.70 0.00 0.00 175.22 176.58 2jkn s PHE 71 N -1.75 -0.62 0.47 0.36 -0.12 -0.39 -1.95 117.98 113.98 2jkn s PHE 71 Ca 0.30 1.08 -0.20 0.00 -0.05 0.00 0.00 56.93 58.06 2jkn s PHE 71 Cb -0.10 0.41 -0.09 0.00 -0.63 0.00 0.00 43.02 42.61 2jkn s PHE 71 CO 0.22 -0.57 1.00 -0.51 -0.05 0.00 0.00 175.22 175.31 2jkn s LEU 72 N -1.14 3.87 -0.00 -1.99 1.02 0.20 -4.55 118.68 116.08 2jkn s LEU 72 Ca -0.10 1.81 0.07 0.00 0.02 0.00 0.00 54.13 55.93 2jkn s LEU 72 Cb -0.00 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.64 2jkn s LEU 72 CO 0.09 -0.61 -0.21 -0.51 0.02 0.00 0.00 176.35 175.13 2jkn s ILE 73 N -2.10 1.68 0.89 -0.59 1.10 -0.48 -1.03 121.20 120.67 2jkn s ILE 73 Ca 0.65 -0.98 -0.11 0.00 -0.51 0.00 0.00 60.65 59.70 2jkn s ILE 73 Cb -0.13 -1.41 0.12 0.00 0.15 0.00 0.00 42.46 41.20 2jkn s ILE 73 CO 0.18 0.41 1.09 -0.94 -2.11 0.00 0.00 174.94 173.57 2jkn s SER 74 N -0.66 3.49 0.51 4.50 1.04 -0.16 -0.90 113.70 121.51 2jkn s SER 74 Ca 0.08 1.64 0.17 0.00 0.48 0.00 0.00 55.95 58.32 2jkn s SER 74 Cb -0.08 -2.30 1.24 0.00 0.10 0.00 0.00 66.02 64.98 2jkn s SER 74 CO -0.00 -2.65 2.10 0.44 0.98 0.00 0.00 173.24 174.11 2jkn h ASP 75 N -1.56 0.07 -0.06 7.02 3.32 -1.49 -1.00 116.42 122.72 2jkn h ASP 75 Ca -0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2jkn h ASP 75 Cb 1.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2jkn h ASP 75 CO 0.52 0.05 0.00 -0.46 -1.72 0.00 0.00 179.24 177.63 2jkn n ASN 76 N -4.50 0.98 0.00 6.45 6.94 -1.26 -4.90 115.26 118.97 2jkn n ASN 76 Ca 0.01 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 2jkn n ASN 76 Cb 0.20 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 2jkn n ASN 76 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2jkn n ASN 77 N -0.18 -3.25 -0.08 0.53 5.15 -0.38 -4.89 115.26 112.15 2jkn n ASN 77 Ca 0.18 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.96 2jkn n ASN 77 Cb 0.25 -1.43 -0.13 0.00 -0.53 0.00 0.00 39.78 37.94 2jkn n ASN 77 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jkn n ARG 78 N -1.66 0.68 -4.17 1.20 0.63 -1.26 -4.89 116.66 107.18 2jkn n ARG 78 Ca 0.00 0.21 -0.35 0.00 -0.92 0.00 0.00 57.85 56.80 2jkn n ARG 78 Cb 0.14 -1.59 -0.10 0.00 0.45 0.00 0.00 32.46 31.36 2jkn n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jkn s ASP 79 N -6.77 5.41 -0.04 6.15 1.01 -1.26 -4.96 116.67 116.20 2jkn s ASP 79 Ca -0.31 0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.03 2jkn s ASP 79 Cb 0.08 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 42.16 2jkn s ASP 79 CO 0.65 0.24 0.03 -0.54 0.21 0.00 0.00 175.17 175.76 2jkn s LYS 80 N -0.03 2.96 -0.32 8.23 1.02 -1.26 -0.99 119.74 129.35 2jkn s LYS 80 Ca 0.05 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.57 2jkn s LYS 80 Cb -0.12 -2.79 0.10 0.00 -0.52 0.00 0.00 37.83 34.50 2jkn s LYS 80 CO 0.01 0.67 0.07 -1.17 -0.92 0.00 0.00 175.35 174.01 2jkn s LEU 81 N -1.32 3.56 0.29 3.17 2.96 -0.19 -4.96 118.68 122.19 2jkn s LEU 81 Ca 0.18 -1.90 -0.29 0.00 -0.22 0.00 0.00 54.13 51.90 2jkn s LEU 81 Cb -0.12 -1.27 -0.10 0.00 0.50 0.00 0.00 46.19 45.20 2jkn s LEU 81 CO 0.08 -0.39 1.32 -0.31 -1.32 0.00 0.00 176.35 175.72 2jkn s TYR 82 N 1.24 3.11 0.07 5.38 1.51 -1.26 -0.63 117.35 126.76 2jkn s TYR 82 Ca 0.10 1.33 0.01 0.00 -1.01 0.00 0.00 57.07 57.50 2jkn s TYR 82 Cb -0.18 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 37.96 2jkn s TYR 82 CO -0.16 -1.93 -0.05 0.14 -1.11 0.00 0.00 175.55 172.44 2jkn s VAL 83 N -0.75 0.49 -0.01 0.71 -7.23 -0.82 -0.79 120.40 112.00 2jkn s VAL 83 Ca 0.52 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2jkn s VAL 83 Cb -0.39 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2jkn s VAL 83 CO 0.48 -0.84 0.09 0.20 -0.31 0.00 0.00 175.10 174.73 2jkn s ASN 84 N -2.75 5.78 -0.16 4.85 0.01 0.64 -4.31 114.94 118.99 2jkn s ASN 84 Ca 0.06 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.40 2jkn s ASN 84 Cb 0.04 -1.69 0.01 0.00 0.41 0.00 0.00 41.25 40.01 2jkn s ASN 84 CO -0.06 0.28 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.01 2jkn s ILE 85 N -1.19 2.41 -0.14 0.60 1.01 -1.26 -1.22 121.20 121.40 2jkn s ILE 85 Ca 0.23 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 2jkn s ILE 85 Cb -0.12 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.40 2jkn s ILE 85 CO 0.14 0.52 0.34 -0.60 0.00 0.00 0.00 174.94 175.34 2jkn s ARG 86 N 0.96 0.31 0.46 2.79 3.52 -0.56 -4.98 118.95 121.45 2jkn s ARG 86 Ca -0.03 0.68 -0.24 0.00 -0.13 0.00 0.00 55.73 56.01 2jkn s ARG 86 Cb -0.15 -0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.11 2jkn s ARG 86 CO -0.03 -0.16 1.26 -1.25 -0.81 0.00 0.00 175.30 174.30 2jkn s PRO 87 N 1.36 3.69 0.50 5.12 0.04 -1.26 -0.40 135.00 144.05 2jkn s PRO 87 Ca -0.09 2.01 0.29 0.00 0.04 0.00 0.00 61.00 63.25 2jkn s PRO 87 Cb -0.09 -2.50 1.15 0.00 0.04 0.00 0.00 34.50 33.09 2jkn s PRO 87 CO -0.11 -0.67 1.91 1.79 0.04 0.00 0.00 177.00 179.95 2jkn h THR 88 N 1.99 0.25 -3.45 1.26 1.35 -1.45 -3.45 112.91 109.41 2jkn h THR 88 Ca -0.50 -0.78 -0.09 0.00 -0.55 0.00 0.00 66.41 64.49 2jkn h THR 88 Cb 1.26 1.63 0.02 0.00 -1.73 0.00 0.00 68.15 69.33 2jkn h THR 88 CO 0.60 0.10 0.03 -0.90 -0.25 0.00 0.00 175.52 175.10 2jkn n ASP 89 N -3.23 0.22 -1.20 5.36 3.85 -1.26 -4.98 116.55 115.31 2jkn n ASP 89 Ca 0.00 -1.20 0.03 0.00 -0.71 0.00 0.00 54.79 52.91 2jkn n ASP 89 Cb 0.36 -0.14 0.20 0.00 -1.35 0.00 0.00 41.12 40.19 2jkn n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkn n ASN 90 N -3.02 3.34 -4.79 -1.12 3.02 -1.26 -4.96 115.26 106.47 2jkn n ASN 90 Ca 0.03 -2.47 -0.35 0.00 -0.03 0.00 0.00 54.58 51.76 2jkn n ASN 90 Cb 0.12 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 2jkn n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jkn s SER 91 N -0.37 6.73 -0.20 6.41 1.04 -1.26 -5.03 113.70 121.03 2jkn s SER 91 Ca 0.27 1.92 -0.17 0.00 0.48 0.00 0.00 55.95 58.45 2jkn s SER 91 Cb 0.21 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 2jkn s SER 91 CO 0.08 -0.51 0.43 0.00 0.98 0.00 0.00 173.24 174.22 2jkn s ALA 92 N -1.85 3.55 0.26 5.32 0.00 -1.26 -4.86 121.76 122.92 2jkn s ALA 92 Ca 0.61 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2jkn s ALA 92 Cb -0.17 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 2jkn s ALA 92 CO 0.22 -0.31 -0.01 -1.58 0.00 0.00 0.00 175.76 174.08 2jkn s TRP 93 N 1.34 1.73 0.01 0.00 0.52 -1.26 -0.85 118.94 120.43 2jkn s TRP 93 Ca 0.21 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.49 2jkn s TRP 93 Cb -0.15 -1.01 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 2jkn s TRP 93 CO 0.08 0.06 -0.10 0.99 0.02 0.00 0.00 176.95 178.00 2jkn s THR 94 N -3.29 0.78 -0.21 2.01 2.01 0.75 -4.86 115.64 112.83 2jkn s THR 94 Ca 0.30 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 2jkn s THR 94 Cb 0.06 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2jkn s THR 94 CO 0.10 0.06 0.11 -0.89 -0.69 0.00 0.00 174.62 173.31 2jkn s THR 95 N -0.55 5.08 -0.30 -0.82 2.01 -1.26 -0.78 115.64 119.02 2jkn s THR 95 Ca 0.01 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 2jkn s THR 95 Cb -0.06 -3.33 0.12 0.00 0.01 0.00 0.00 72.50 69.24 2jkn s THR 95 CO 0.00 0.41 0.19 -0.62 -0.69 0.00 0.00 174.62 173.92 2jkn s ASP 96 N 0.66 2.88 -1.04 3.53 3.68 0.55 -4.98 116.67 121.95 2jkn s ASP 96 Ca 0.06 -1.31 -0.17 0.00 2.13 0.00 0.00 52.55 53.25 2jkn s ASP 96 Cb -0.13 -0.10 0.01 0.00 -1.45 0.00 0.00 42.92 41.25 2jkn s ASP 96 CO 0.01 -0.40 0.72 -3.20 0.13 0.00 0.00 175.17 172.43 2jkn n ASN 97 N 5.04 -5.22 0.00 -0.34 5.15 -1.26 -2.02 115.26 116.61 2jkn n ASN 97 Ca -0.02 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 2jkn n ASN 97 Cb 0.42 -2.79 0.00 0.00 -0.53 0.00 0.00 39.78 36.88 2jkn n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkn n GLY 98 N -1.78 1.63 3.54 8.20 0.00 -1.26 -5.01 105.19 110.51 2jkn n GLY 98 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2jkn n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkn s VAL 99 N -3.04 4.04 -0.33 1.61 1.01 -0.85 -0.62 120.40 122.22 2jkn s VAL 99 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2jkn s VAL 99 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2jkn s VAL 99 CO 0.00 0.51 0.06 0.12 0.00 0.00 0.00 175.10 175.80 2jkn s PHE 100 N 0.12 3.34 0.14 5.22 5.36 0.10 -0.33 117.98 131.93 2jkn s PHE 100 Ca -0.00 -1.91 0.09 0.00 -0.96 0.00 0.00 56.93 54.15 2jkn s PHE 100 Cb -0.13 -2.39 -0.04 0.00 -0.34 0.00 0.00 43.02 40.12 2jkn s PHE 100 CO 0.02 -0.83 -0.22 1.52 -1.46 0.00 0.00 175.22 174.25 2jkn s TYR 101 N 1.26 2.00 0.10 10.12 1.13 0.04 -0.81 117.35 131.19 2jkn s TYR 101 Ca -0.01 -0.41 -0.30 0.00 -1.41 0.00 0.00 57.07 54.94 2jkn s TYR 101 Cb -0.20 -1.06 -0.06 0.00 -1.10 0.00 0.00 41.96 39.54 2jkn s TYR 101 CO -0.01 0.31 1.00 0.21 -2.51 0.00 0.00 175.55 174.55 2jkn s LYS 102 N -2.24 4.64 0.50 -3.49 2.20 -0.10 -0.18 119.74 121.08 2jkn s LYS 102 Ca 0.12 1.52 0.24 0.00 -0.36 0.00 0.00 55.97 57.49 2jkn s LYS 102 Cb -0.09 -3.37 1.34 0.00 -1.51 0.00 0.00 37.83 34.20 2jkn s LYS 102 CO 0.06 0.12 2.05 -0.91 -0.36 0.00 0.00 175.35 176.31 2jkn h ASN 103 N 5.74 0.00 -3.77 1.43 4.21 -1.33 -3.43 115.58 118.43 2jkn h ASN 103 Ca -0.43 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.40 2jkn h ASN 103 Cb 1.21 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.22 2jkn h ASN 103 CO 0.73 0.14 -0.79 -1.81 -1.29 0.00 0.00 177.43 174.41 2jkn s ASP 104 N -6.37 3.96 0.81 5.81 1.01 -1.26 -5.06 116.67 115.57 2jkn s ASP 104 Ca -0.03 -0.48 -0.11 0.00 0.71 0.00 0.00 52.55 52.65 2jkn s ASP 104 Cb 0.14 -0.63 0.08 0.00 1.01 0.00 0.00 42.92 43.52 2jkn s ASP 104 CO 0.61 0.21 1.10 0.68 0.21 0.00 0.00 175.17 177.98 2jkn s VAL 105 N -1.08 3.07 0.00 -1.27 -7.23 -1.26 -4.59 120.40 108.04 2jkn s VAL 105 Ca 0.17 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2jkn s VAL 105 Cb -0.11 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.07 2jkn s VAL 105 CO 0.09 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 2jkn n GLY 106 N -0.99 4.49 3.01 2.32 0.00 -0.60 -4.94 105.19 108.49 2jkn n GLY 106 Ca 0.09 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2jkn n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkn n SER 107 N 0.00 4.78 -4.77 1.61 7.64 -1.20 -4.43 113.62 117.25 2jkn n SER 107 Ca 0.00 -3.00 -0.38 0.00 1.01 0.00 0.00 58.87 56.51 2jkn n SER 107 Cb 0.00 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 61.62 2jkn n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkn s TRP 108 N 1.71 2.89 0.00 1.43 -0.00 -1.26 -4.69 118.94 119.02 2jkn s TRP 108 Ca 0.44 1.52 0.05 0.00 -0.00 0.00 0.00 56.10 58.10 2jkn s TRP 108 Cb 0.08 -3.43 -0.01 0.00 -0.00 0.00 0.00 33.47 30.11 2jkn s TRP 108 CO -0.01 -1.57 -0.15 0.20 -0.00 0.00 0.00 176.95 175.42 2jkn s GLY 109 N -1.23 0.75 0.00 5.86 0.00 -1.26 -1.07 107.32 110.36 2jkn s GLY 109 Ca 0.62 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2jkn s GLY 109 CO 0.37 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.49 2jkn n GLY 110 N 2.53 -1.29 3.33 0.20 0.00 -0.11 -5.01 105.19 104.85 2jkn n GLY 110 Ca -0.15 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 2jkn n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkn s ILE 111 N -2.71 2.94 -0.31 -0.61 -1.09 -1.26 -0.87 121.20 117.29 2jkn s ILE 111 Ca 0.00 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.63 2jkn s ILE 111 Cb 0.00 -2.24 -0.02 0.00 -1.58 0.00 0.00 42.46 38.62 2jkn s ILE 111 CO 0.00 0.52 0.18 -0.63 -1.23 0.00 0.00 174.94 173.77 2jkn s ILE 112 N 0.56 4.88 0.11 2.92 -1.09 0.44 -1.00 121.20 128.02 2jkn s ILE 112 Ca -0.08 -0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 57.89 2jkn s ILE 112 Cb -0.16 -3.46 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2jkn s ILE 112 CO 0.04 0.09 0.58 -0.83 -1.23 0.00 0.00 174.94 173.59 2jkn s GLY 113 N 1.67 2.62 -0.23 6.18 0.00 0.46 -0.28 107.32 117.73 2jkn s GLY 113 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 2jkn s GLY 113 CO 0.08 0.40 0.02 -0.42 0.00 0.00 0.00 173.10 173.18 2jkn s ILE 114 N -1.24 3.96 0.07 0.90 -1.09 -0.64 -1.50 121.20 121.66 2jkn s ILE 114 Ca 0.33 -0.30 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 2jkn s ILE 114 Cb -0.18 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 2jkn s ILE 114 CO 0.19 0.38 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.78 2jkn s TYR 115 N 1.47 1.68 0.12 3.97 2.02 -0.36 -0.32 117.35 125.92 2jkn s TYR 115 Ca 0.05 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.05 2jkn s TYR 115 Cb -0.15 -0.96 -0.09 0.00 -0.40 0.00 0.00 41.96 40.36 2jkn s TYR 115 CO 0.01 0.13 1.63 0.08 -1.57 0.00 0.00 175.55 175.83 2jkn s VAL 116 N -1.00 2.80 -0.65 0.71 1.01 0.12 -0.26 120.40 123.13 2jkn s VAL 116 Ca 0.05 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 2jkn s VAL 116 Cb -0.09 -3.28 0.16 0.00 0.00 0.00 0.00 36.38 33.17 2jkn s VAL 116 CO 0.03 0.01 0.63 -0.62 0.00 0.00 0.00 175.10 175.15 2jkn s ASP 117 N 1.84 6.39 0.00 3.32 2.15 0.03 -0.12 116.67 130.28 2jkn s ASP 117 Ca 0.73 -2.07 0.00 0.00 0.43 0.00 0.00 52.55 51.64 2jkn s ASP 117 Cb -0.42 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2jkn s ASP 117 CO 0.32 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 2jkn n GLY 118 N 4.83 -1.42 3.69 2.66 0.00 -1.26 -4.74 105.19 108.95 2jkn n GLY 118 Ca -0.03 -1.31 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 2jkn n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkn n GLN 119 N -0.14 2.49 -2.59 1.61 -0.00 -1.26 -4.38 117.38 113.10 2jkn n GLN 119 Ca 0.00 0.90 -0.14 0.00 -0.00 0.00 0.00 57.00 57.76 2jkn n GLN 119 Cb 0.00 -2.73 0.02 0.00 -0.00 0.00 0.00 30.24 27.54 2jkn n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jkn n GLN 120 N 4.26 1.99 0.00 2.61 6.02 -0.12 -4.91 117.38 127.23 2jkn n GLN 120 Ca 0.17 -3.68 0.05 0.00 -0.01 0.00 0.00 57.00 53.53 2jkn n GLN 120 Cb 0.32 -1.63 0.27 0.00 1.02 0.00 0.00 30.24 30.23 2jkn n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkn n THR 121 N -0.29 0.00 -0.39 5.09 -2.24 -1.24 -1.85 114.28 113.36 2jkn n THR 121 Ca 0.19 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 2jkn n THR 121 Cb 0.78 -0.80 0.21 0.00 -2.10 0.00 0.00 70.33 68.42 2jkn n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkn n ASN 122 N -0.96 3.39 -4.72 3.42 3.02 -1.26 -4.27 115.26 113.88 2jkn n ASN 122 Ca 0.07 -2.24 -0.42 0.00 -0.03 0.00 0.00 54.58 51.96 2jkn n ASN 122 Cb 0.03 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2jkn n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jkn s THR 123 N -1.43 2.07 0.41 3.41 2.01 -0.77 -4.94 115.64 116.41 2jkn s THR 123 Ca 0.32 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 2jkn s THR 123 Cb 0.20 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.59 2jkn s THR 123 CO 0.17 0.00 1.30 -2.84 -0.69 0.00 0.00 174.62 172.56 2jkn s PRO 124 N 1.12 3.93 0.45 4.92 0.02 -1.26 -4.78 135.00 139.40 2jkn s PRO 124 Ca 0.74 2.14 -0.25 0.00 0.02 0.00 0.00 61.00 63.64 2jkn s PRO 124 Cb -0.49 -2.72 -0.09 0.00 0.02 0.00 0.00 34.50 31.22 2jkn s PRO 124 CO 0.32 -0.52 1.40 -2.30 -0.33 0.00 0.00 177.00 175.58 2jkn n PRO 125 N 0.06 2.18 0.00 5.54 -0.02 -1.26 -4.85 135.00 136.64 2jkn n PRO 125 Ca 0.04 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2jkn n PRO 125 Cb 0.44 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2jkn n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkn n GLY 126 N 0.63 -0.80 3.61 -1.23 0.00 -0.37 -4.96 105.19 102.06 2jkn n GLY 126 Ca 0.06 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2jkn n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkn s ASN 127 N 0.00 5.88 0.01 1.61 0.01 -1.26 -0.62 114.94 120.56 2jkn s ASN 127 Ca 0.00 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.24 2jkn s ASN 127 Cb 0.00 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 2jkn s ASN 127 CO 0.00 0.04 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.15 2jkn s TYR 128 N 1.19 2.59 0.02 2.20 2.02 0.77 -1.14 117.35 125.00 2jkn s TYR 128 Ca 0.07 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2jkn s TYR 128 Cb -0.14 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2jkn s TYR 128 CO 0.05 0.22 -0.08 0.99 -1.57 0.00 0.00 175.55 175.16 2jkn s THR 129 N -0.85 0.59 -0.09 -0.71 2.01 -0.08 -0.99 115.64 115.50 2jkn s THR 129 Ca 0.14 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2jkn s THR 129 Cb -0.11 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.86 2jkn s THR 129 CO 0.04 -0.09 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.60 2jkn s LEU 130 N -0.86 1.00 -0.17 4.42 2.96 0.39 -1.38 118.68 125.04 2jkn s LEU 130 Ca -0.03 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2jkn s LEU 130 Cb -0.06 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 2jkn s LEU 130 CO 0.00 -0.14 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.94 2jkn s THR 131 N 1.73 3.48 -0.10 3.68 2.01 -1.26 0.02 115.64 125.20 2jkn s THR 131 Ca 0.04 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2jkn s THR 131 Cb -0.13 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.87 2jkn s THR 131 CO -0.06 0.47 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.43 2jkn s LEU 132 N 0.77 1.72 -0.13 4.42 1.43 0.09 -1.77 118.68 125.22 2jkn s LEU 132 Ca -0.02 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2jkn s LEU 132 Cb -0.15 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 2jkn s LEU 132 CO 0.02 0.03 -0.03 -0.89 0.23 0.00 0.00 176.35 175.70 2jkn s THR 133 N 0.89 3.96 0.43 5.49 2.01 -0.02 -0.74 115.64 127.66 2jkn s THR 133 Ca -0.09 -0.35 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 2jkn s THR 133 Cb -0.15 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.56 2jkn s THR 133 CO 0.00 0.53 1.03 -0.83 -0.69 0.00 0.00 174.62 174.65 2jkn s GLY 134 N -0.01 2.61 0.00 4.40 0.00 -0.44 -1.18 107.32 112.70 2jkn s GLY 134 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2jkn s GLY 134 CO 0.03 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.72 2jkn n GLY 135 N 0.02 -0.74 3.04 0.20 0.00 -0.17 -1.28 105.19 106.26 2jkn n GLY 135 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2jkn n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkn s TYR 136 N -3.82 0.19 0.17 1.61 1.13 -0.85 -0.92 117.35 114.86 2jkn s TYR 136 Ca 0.00 -0.41 0.09 0.00 -1.41 0.00 0.00 57.07 55.34 2jkn s TYR 136 Cb 0.00 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.67 2jkn s TYR 136 CO 0.00 -0.24 -0.09 -0.46 -2.51 0.00 0.00 175.55 172.25 2jkn s TRP 137 N -1.59 2.66 -0.06 -3.49 -0.00 -0.39 -0.49 118.94 115.58 2jkn s TRP 137 Ca -0.14 -0.21 -0.17 0.00 -0.00 0.00 0.00 56.10 55.58 2jkn s TRP 137 Cb -0.08 -1.31 0.03 0.00 -0.00 0.00 0.00 33.47 32.12 2jkn s TRP 137 CO -0.01 0.50 0.39 0.00 -0.00 0.00 0.00 176.95 177.84 2jkn s ALA 138 N -1.65 -0.99 -2.62 5.86 0.00 -0.37 -4.16 121.76 117.83 2jkn s ALA 138 Ca 0.25 0.71 0.27 0.00 0.00 0.00 0.00 51.96 53.19 2jkn s ALA 138 Cb -0.09 -0.16 0.84 0.00 0.00 0.00 0.00 23.12 23.71 2jkn s ALA 138 CO 0.15 -0.26 1.63 0.36 0.00 0.00 0.00 175.76 177.64