#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 -0.07 -0.13 1.61 1.04 0.21 -4.95 113.70 111.41 2jkn s SER 1 Ca 0.00 0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.35 2jkn s SER 1 Cb 0.00 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 2jkn s SER 1 CO 0.00 -0.23 0.31 0.12 0.98 0.00 0.00 173.24 174.42 2jkn s PHE 2 N -0.71 3.52 -0.29 5.02 2.19 -1.26 -2.24 117.98 124.21 2jkn s PHE 2 Ca -0.08 0.67 -0.05 0.00 0.33 0.00 0.00 56.93 57.80 2jkn s PHE 2 Cb -0.05 -2.30 0.02 0.00 -1.31 0.00 0.00 43.02 39.38 2jkn s PHE 2 CO 0.01 0.36 0.05 0.99 1.83 0.00 0.00 175.22 178.45 2jkn s THR 3 N 0.06 3.66 0.13 0.12 2.01 0.03 -4.98 115.64 116.66 2jkn s THR 3 Ca 0.18 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 2jkn s THR 3 Cb -0.14 -2.91 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 2jkn s THR 3 CO 0.06 0.06 1.68 -2.84 -0.69 0.00 0.00 174.62 172.89 2jkn s PRO 4 N 1.44 4.18 -0.41 4.92 0.02 -1.26 -1.59 135.00 142.29 2jkn s PRO 4 Ca 0.01 2.43 0.01 0.00 0.02 0.00 0.00 61.00 63.47 2jkn s PRO 4 Cb -0.17 -3.41 0.19 0.00 0.02 0.00 0.00 34.50 31.13 2jkn s PRO 4 CO 0.01 -0.72 0.85 0.45 -0.33 0.00 0.00 177.00 177.25 2jkn s SER 5 N 1.96 -1.00 0.00 2.53 0.15 -0.25 -4.92 113.70 112.17 2jkn s SER 5 Ca 0.74 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2jkn s SER 5 Cb -0.44 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2jkn s SER 5 CO 0.33 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2jkn n GLY 6 N 3.39 -0.66 3.99 9.45 0.00 -1.14 -3.51 105.19 116.72 2jkn n GLY 6 Ca 0.12 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.83 1.97 -0.10 2.61 -4.23 -1.26 -4.64 115.64 107.16 2jkn s THR 7 Ca 0.00 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 2jkn s THR 7 Cb 0.00 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2jkn s THR 7 CO 0.00 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.07 2jkn s THR 8 N -2.70 3.23 -0.12 3.99 2.01 -1.26 -1.20 115.64 119.59 2jkn s THR 8 Ca 0.53 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 2jkn s THR 8 Cb -0.05 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2jkn s THR 8 CO 0.33 0.55 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.88 2jkn s GLY 9 N -0.11 1.59 -0.17 4.40 0.00 0.29 -4.98 107.32 108.34 2jkn s GLY 9 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2jkn s GLY 9 CO 0.03 -0.29 -0.16 -1.59 0.00 0.00 0.00 173.10 171.09 2jkn s THR 10 N 0.10 2.46 -0.25 0.90 2.01 -1.26 -0.96 115.64 118.64 2jkn s THR 10 Ca -0.04 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 2jkn s THR 10 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2jkn s THR 10 CO 0.04 0.52 0.11 -0.89 -0.69 0.00 0.00 174.62 173.71 2jkn s THR 11 N 1.04 4.69 -0.01 -0.82 2.01 0.46 -4.96 115.64 118.06 2jkn s THR 11 Ca -0.01 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.03 2jkn s THR 11 Cb -0.15 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 2jkn s THR 11 CO -0.05 0.32 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.41 2jkn s LYS 12 N 1.51 2.04 -0.07 4.92 1.02 -1.26 -0.62 119.74 127.28 2jkn s LYS 12 Ca 0.06 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 2jkn s LYS 12 Cb -0.15 -2.03 0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2jkn s LYS 12 CO 0.06 0.55 0.16 -1.17 -0.92 0.00 0.00 175.35 174.02 2jkn s LEU 13 N -0.76 0.73 -0.22 3.17 2.96 -0.05 -4.63 118.68 119.88 2jkn s LEU 13 Ca 0.10 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.26 2jkn s LEU 13 Cb -0.10 0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.97 2jkn s LEU 13 CO -0.00 -0.14 0.11 -0.89 -1.32 0.00 0.00 176.35 174.10 2jkn s THR 14 N 1.11 4.90 -0.10 3.68 2.01 -0.42 -0.03 115.64 126.79 2jkn s THR 14 Ca -0.09 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.83 2jkn s THR 14 Cb -0.11 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2jkn s THR 14 CO -0.06 0.38 0.22 -0.69 -0.69 0.00 0.00 174.62 173.78 2jkn s VAL 15 N 1.00 5.36 0.33 3.82 1.01 0.31 -1.25 120.40 130.98 2jkn s VAL 15 Ca 0.05 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2jkn s VAL 15 Cb -0.14 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2jkn s VAL 15 CO 0.03 0.58 0.16 0.35 0.00 0.00 0.00 175.10 176.23 2jkn n THR 16 N 2.16 0.00 -2.46 3.92 -2.24 -0.11 -1.65 114.28 113.90 2jkn n THR 16 Ca -0.18 -2.04 -0.21 0.00 -2.27 0.00 0.00 64.05 59.36 2jkn n THR 16 Cb 0.54 0.83 0.11 0.00 -2.10 0.00 0.00 70.33 69.71 2jkn n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jkn n GLU 17 N -0.70 -0.16 -0.28 -0.78 -0.58 -1.26 -1.13 120.64 115.75 2jkn n GLU 17 Ca -0.01 -2.27 -0.00 0.00 -0.42 0.00 0.00 57.16 54.45 2jkn n GLU 17 Cb 0.52 -0.65 0.12 0.00 -0.57 0.00 0.00 31.44 30.86 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 0.84 -6.13 3.49 3.11 -1.97 -3.33 116.57 112.58 2jkn h LYS 18 Ca -0.30 -0.05 -0.59 0.00 -2.81 0.00 0.00 60.65 56.90 2jkn h LYS 18 Cb 1.05 -0.19 -0.10 0.00 -1.00 0.00 0.00 32.23 31.99 2jkn h LYS 18 CO 0.30 0.55 0.67 0.00 -2.81 0.00 0.00 179.45 178.17 2jkn s GLN 20 N 4.13 2.83 -0.38 0.00 0.74 -1.25 -5.06 119.66 120.67 2jkn s GLN 20 Ca 0.36 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.97 2jkn s GLN 20 Cb -0.11 -2.32 0.10 0.00 1.10 0.00 0.00 33.01 31.78 2jkn s GLN 20 CO 0.23 -0.05 0.15 0.08 -0.55 0.00 0.00 175.29 175.14 2jkn s VAL 21 N 0.92 3.07 -0.25 1.34 1.01 -1.26 -5.07 120.40 120.16 2jkn s VAL 21 Ca -0.05 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 59.66 2jkn s VAL 21 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2jkn s VAL 21 CO -0.03 -0.58 0.92 -0.13 0.00 0.00 0.00 175.10 175.28 2jkn s ARG 22 N 1.12 4.18 -0.15 2.72 0.52 -1.26 -5.03 118.95 121.05 2jkn s ARG 22 Ca 0.07 1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 56.34 2jkn s ARG 22 Cb -0.22 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 2jkn s ARG 22 CO -0.04 -0.61 -0.11 0.08 0.02 0.00 0.00 175.30 174.64 2jkn s VAL 23 N 3.05 3.14 0.00 3.52 1.01 -1.26 -5.03 120.40 124.84 2jkn s VAL 23 Ca 0.39 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2jkn s VAL 23 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2jkn s VAL 23 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2jkn n GLY 24 N 3.75 -1.38 3.68 4.51 0.00 -1.26 -4.92 105.19 109.57 2jkn n GLY 24 Ca -0.18 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.17 1.29 -4.69 1.61 10.43 -1.26 -4.91 116.55 118.85 2jkn n ASP 25 Ca 0.00 0.71 -0.44 0.00 2.57 0.00 0.00 54.79 57.63 2jkn n ASP 25 Cb 0.00 -1.50 -0.03 0.00 1.84 0.00 0.00 41.12 41.43 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 -2.20 3.45 -4.22 0.64 7.94 -1.26 -5.00 117.00 116.34 2jkn n LEU 26 Ca 0.14 1.10 -0.13 0.00 -1.11 0.00 0.00 56.01 56.02 2jkn n LEU 26 Cb 0.49 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.86 2jkn n LEU 26 CO 0.48 -0.19 -0.25 0.42 -1.11 0.00 0.00 177.39 176.74 2jkn s THR 27 N 0.55 0.14 -0.26 1.96 -4.23 -1.26 -5.11 115.64 107.43 2jkn s THR 27 Ca 0.73 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2jkn s THR 27 Cb -0.61 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.74 2jkn s THR 27 CO 0.42 -0.04 1.28 -0.69 -0.54 0.00 0.00 174.62 175.04 2jkn s VAL 28 N -4.06 4.20 0.01 2.29 1.01 -1.26 -5.00 120.40 117.59 2jkn s VAL 28 Ca 0.37 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.75 2jkn s VAL 28 Cb 0.07 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2jkn s VAL 28 CO 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 175.10 174.82 2jkn s ALA 29 N 4.08 0.20 0.02 5.51 0.00 -1.26 -1.30 121.76 129.01 2jkn s ALA 29 Ca 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2jkn s ALA 29 Cb -0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2jkn s ALA 29 CO 0.20 0.00 -0.01 0.15 0.00 0.00 0.00 175.76 176.10 2jkn s LYS 30 N -0.42 0.37 0.62 0.00 1.02 -0.38 -4.96 119.74 116.00 2jkn s LYS 30 Ca -0.03 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 2jkn s LYS 30 Cb -0.03 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2jkn s LYS 30 CO -0.00 -0.07 1.04 0.95 -0.92 0.00 0.00 175.35 176.35 2jkn s THR 31 N -1.80 4.22 0.44 2.17 -4.23 -1.26 -0.94 115.64 114.24 2jkn s THR 31 Ca -0.13 0.86 0.21 0.00 -1.18 0.00 0.00 61.69 61.45 2jkn s THR 31 Cb -0.07 -3.56 0.24 0.00 1.34 0.00 0.00 72.50 70.44 2jkn s THR 31 CO -0.02 -0.80 2.04 0.08 -0.54 0.00 0.00 174.62 175.37 2jkn h ARG 32 N -0.03 0.00 0.00 3.99 0.11 -1.42 -0.98 114.38 116.05 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 0.59 0.15 -0.03 0.78 0.10 0.00 0.00 179.97 181.55 2jkn h GLY 33 N 0.63 0.00 0.93 0.08 0.00 -1.85 -0.95 103.07 101.91 2jkn h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jkn h GLY 33 CO 0.02 0.00 -0.16 -1.06 0.00 0.00 0.00 176.54 175.34 2jkn n GLN 34 N -3.40 0.57 -1.45 4.80 6.02 -0.37 -4.37 117.38 119.18 2jkn n GLN 34 Ca -0.02 -0.22 -0.32 0.00 -0.01 0.00 0.00 57.00 56.42 2jkn n GLN 34 Cb 0.15 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.02 7.60 -4.89 1.08 4.77 -0.36 -4.86 117.00 119.31 2jkn n LEU 35 Ca 0.13 -4.23 -0.29 0.00 -0.03 0.00 0.00 56.01 51.58 2jkn n LEU 35 Cb 0.30 -1.44 0.04 0.00 -2.33 0.00 0.00 43.42 39.99 2jkn n LEU 35 CO 0.25 1.96 0.69 0.42 -1.33 0.00 0.00 177.39 179.38 2jkn s THR 36 N 0.50 3.60 0.20 -5.08 -4.23 -1.26 -0.86 115.64 108.52 2jkn s THR 36 Ca 0.64 0.38 -0.32 0.00 -1.18 0.00 0.00 61.69 61.20 2jkn s THR 36 Cb 0.23 -3.49 -0.13 0.00 1.34 0.00 0.00 72.50 70.45 2jkn s THR 36 CO -0.08 -0.62 1.59 -0.67 -0.54 0.00 0.00 174.62 174.31 2jkn n ASP 37 N -2.88 3.36 0.00 3.99 2.03 -1.26 -1.70 116.55 120.09 2jkn n ASP 37 Ca 0.06 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2jkn n ASP 37 Cb 0.57 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 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 3.15 0.00 -1.76 -1.67 0.00 0.27 -4.95 120.51 115.56 2jkn n ALA 38 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 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 s ALA 39 N -1.88 3.88 0.21 0.00 0.00 -0.69 -4.54 121.76 118.74 2jkn s ALA 39 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 2jkn s ALA 39 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2jkn s ALA 39 CO 0.00 -0.96 1.36 -1.25 0.00 0.00 0.00 175.76 174.91 2jkn s PRO 40 N 1.47 4.34 -0.26 0.00 0.04 -1.26 -0.62 135.00 138.70 2jkn s PRO 40 Ca 0.75 2.15 -0.01 0.00 0.04 0.00 0.00 61.00 63.93 2jkn s PRO 40 Cb -0.48 -3.17 -0.16 0.00 0.04 0.00 0.00 34.50 30.73 2jkn s PRO 40 CO 0.33 -0.32 -0.24 -0.89 0.04 0.00 0.00 177.00 175.91 2jkn n ILE 41 N 2.61 1.50 0.00 0.56 5.41 0.28 -4.91 119.36 124.82 2jkn n ILE 41 Ca 0.07 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2jkn n ILE 41 Cb 0.42 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 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 2.07 1.57 3.91 7.39 0.00 -1.20 -5.02 105.19 113.91 2jkn n GLY 42 Ca -0.47 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 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 3.58 -0.15 1.61 0.04 -1.26 -1.70 135.00 135.12 2jkn s PRO 43 Ca 0.00 -0.07 -0.00 0.00 0.04 0.00 0.00 61.00 60.97 2jkn s PRO 43 Cb 0.00 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.95 2jkn s PRO 43 CO 0.00 0.15 -0.08 0.08 0.04 0.00 0.00 177.00 177.20 2jkn s VAL 44 N -2.21 1.20 0.32 -0.36 1.01 0.48 -4.96 120.40 115.88 2jkn s VAL 44 Ca 0.43 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 2jkn s VAL 44 Cb -0.10 -1.29 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 2jkn s VAL 44 CO 0.33 0.24 0.94 0.42 0.00 0.00 0.00 175.10 177.03 2jkn s THR 45 N 1.61 4.20 -0.06 3.92 -4.23 -1.26 -0.58 115.64 119.24 2jkn s THR 45 Ca 0.02 1.85 0.01 0.00 -1.18 0.00 0.00 61.69 62.38 2jkn s THR 45 Cb -0.14 -4.03 0.02 0.00 1.34 0.00 0.00 72.50 69.69 2jkn s THR 45 CO -0.08 0.17 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.43 2jkn s VAL 46 N -1.58 0.59 -0.21 2.29 1.01 -0.26 -4.93 120.40 117.31 2jkn s VAL 46 Ca 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 2jkn s VAL 46 Cb -0.19 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.62 2jkn s VAL 46 CO 0.24 0.25 0.03 -1.10 0.00 0.00 0.00 175.10 174.53 2jkn s GLN 47 N 1.16 0.74 0.08 2.72 -1.52 -1.26 -0.69 119.66 120.89 2jkn s GLN 47 Ca -0.07 -0.52 -0.05 0.00 -1.95 0.00 0.00 55.36 52.77 2jkn s GLN 47 Cb -0.14 -2.14 -0.05 0.00 -0.22 0.00 0.00 33.01 30.46 2jkn s GLN 47 CO -0.01 -0.66 0.31 0.00 -0.25 0.00 0.00 175.29 174.67 2jkn s ALA 48 N 1.80 3.85 -0.01 6.09 0.00 -0.24 -5.00 121.76 128.25 2jkn s ALA 48 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 2jkn s ALA 48 Cb -0.17 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2jkn s ALA 48 CO -0.09 0.69 0.01 -0.51 0.00 0.00 0.00 175.76 175.85 2jkn s LEU 49 N -2.26 1.79 -0.75 0.00 1.02 -1.26 -4.59 118.68 112.63 2jkn s LEU 49 Ca 0.35 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.51 2jkn s LEU 49 Cb -0.13 -0.00 0.00 0.00 0.02 0.00 0.00 46.19 46.08 2jkn s LEU 49 CO 0.22 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.17 2jkn n GLY 50 N 3.31 0.55 1.16 -3.19 0.00 -1.26 -4.94 105.19 100.82 2jkn n GLY 50 Ca -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 1.01 0.10 -0.23 0.00 3.45 -1.92 -2.07 116.42 116.76 2jkn h ASP 52 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 2jkn h ASP 52 Cb 1.65 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.40 2jkn h ASP 52 CO 0.38 0.07 0.00 0.00 -1.57 0.00 0.00 179.24 178.12 2jkn n ALA 53 N -2.56 2.79 -2.26 3.45 0.00 -1.26 -3.58 120.51 117.09 2jkn n ALA 53 Ca 0.03 -2.20 -0.13 0.00 0.00 0.00 0.00 53.44 51.14 2jkn n ALA 53 Cb 0.29 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.60 0.99 -0.35 0.00 1.81 -0.87 -4.93 118.95 113.01 2jkn s ARG 54 Ca 0.38 -1.39 -0.18 0.00 -1.72 0.00 0.00 55.73 52.81 2jkn s ARG 54 Cb 0.30 -0.53 -0.00 0.00 -0.45 0.00 0.00 34.95 34.27 2jkn s ARG 54 CO 0.09 0.06 0.53 -0.65 -0.68 0.00 0.00 175.30 174.65 2jkn s GLN 55 N -3.65 3.63 0.40 3.54 -0.21 -1.26 -1.82 119.66 120.29 2jkn s GLN 55 Ca 0.14 -0.12 -0.27 0.00 0.02 0.00 0.00 55.36 55.13 2jkn s GLN 55 Cb 0.02 -3.81 -0.10 0.00 1.00 0.00 0.00 33.01 30.12 2jkn s GLN 55 CO -0.01 -0.66 1.43 0.28 -2.12 0.00 0.00 175.29 174.22 2jkn n VAL 56 N 5.45 2.26 -3.92 1.09 0.31 -1.26 -1.12 118.33 121.13 2jkn n VAL 56 Ca -0.04 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.70 2jkn n VAL 56 Cb 0.49 -1.86 -0.09 0.00 -0.91 0.00 0.00 33.84 31.47 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 -1.14 -0.08 -0.06 3.52 0.00 0.05 -0.88 121.76 123.16 2jkn s ALA 57 Ca 0.56 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.94 2jkn s ALA 57 Cb -0.48 0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2jkn s ALA 57 CO 0.62 -0.38 -0.12 -0.51 0.00 0.00 0.00 175.76 175.36 2jkn s LEU 58 N -2.41 1.65 -0.14 0.00 2.01 -0.34 -1.26 118.68 118.19 2jkn s LEU 58 Ca -0.01 -0.29 -0.02 0.00 0.01 0.00 0.00 54.13 53.82 2jkn s LEU 58 Cb 0.02 -0.81 -0.02 0.00 0.01 0.00 0.00 46.19 45.39 2jkn s LEU 58 CO -0.07 0.04 -0.09 -0.75 1.01 0.00 0.00 176.35 176.48 2jkn s LYS 59 N 0.63 3.48 0.36 1.70 2.20 0.15 -0.62 119.74 127.64 2jkn s LYS 59 Ca -0.14 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 54.60 2jkn s LYS 59 Cb -0.15 -2.75 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 2jkn s LYS 59 CO 0.04 0.20 0.96 0.00 -0.36 0.00 0.00 175.35 176.18 2jkn s ALA 60 N 0.42 3.15 0.71 3.13 0.00 0.15 -0.84 121.76 128.47 2jkn s ALA 60 Ca -0.08 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 2jkn s ALA 60 Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2jkn s ALA 60 CO 0.04 0.12 0.90 -3.47 0.00 0.00 0.00 175.76 173.36 2jkn n ASP 61 N 0.17 0.26 -0.33 0.00 2.03 -0.72 -4.85 116.55 113.11 2jkn n ASP 61 Ca 0.04 0.67 0.11 0.00 0.52 0.00 0.00 54.79 56.13 2jkn n ASP 61 Cb 0.51 -1.38 0.29 0.00 -0.72 0.00 0.00 41.12 39.82 2jkn n ASP 61 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2jkn h THR 62 N -0.18 0.67 0.00 5.18 2.02 -1.93 0.02 112.91 118.69 2jkn h THR 62 Ca -0.47 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2jkn h THR 62 Cb 1.34 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2jkn h THR 62 CO 0.47 0.12 0.00 0.47 0.37 0.00 0.00 175.52 176.95 2jkn n ASP 63 N -4.85 0.00 -0.69 4.18 8.00 -1.26 -3.39 116.55 118.55 2jkn n ASP 63 Ca 0.21 -0.53 0.07 0.00 0.71 0.00 0.00 54.79 55.25 2jkn n ASP 63 Cb 0.54 -0.08 0.13 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.08 2.73 -3.79 -2.24 5.03 -0.01 -4.76 115.26 111.15 2jkn n ASN 64 Ca 0.15 -1.82 -0.11 0.00 0.87 0.00 0.00 54.58 53.68 2jkn n ASN 64 Cb 0.10 -0.17 -0.07 0.00 -1.02 0.00 0.00 39.78 38.62 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 -1.06 -0.02 -0.29 3.10 -0.12 -1.22 -0.96 117.98 117.42 2jkn s PHE 65 Ca 0.23 -0.22 -0.24 0.00 -0.05 0.00 0.00 56.93 56.65 2jkn s PHE 65 Cb 0.13 0.04 0.15 0.00 -0.63 0.00 0.00 43.02 42.72 2jkn s PHE 65 CO 0.18 -0.51 1.19 -1.21 -0.05 0.00 0.00 175.22 174.82 2jkn s GLU 66 N -2.95 0.32 -1.32 1.99 2.02 -0.73 -4.97 118.70 113.06 2jkn s GLU 66 Ca -0.02 0.39 -0.01 0.00 0.02 0.00 0.00 54.97 55.35 2jkn s GLU 66 Cb 0.01 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.39 2jkn s GLU 66 CO -0.06 -0.04 0.73 0.94 0.02 0.00 0.00 175.26 176.85 2jkn n GLN 67 N 2.10 -5.05 -0.72 1.61 7.27 -1.26 -1.08 117.38 120.26 2jkn n GLN 67 Ca -0.12 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.58 2jkn n GLN 67 Cb 0.56 -5.23 0.00 0.00 2.41 0.00 0.00 30.24 27.98 2jkn n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jkn n GLY 68 N -1.57 0.29 3.67 1.69 0.00 -1.26 -4.97 105.19 103.03 2jkn n GLY 68 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.81 2.81 0.11 1.61 1.02 -0.24 -4.97 119.74 119.27 2jkn s LYS 69 Ca 0.00 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.46 2jkn s LYS 69 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 2jkn s LYS 69 CO 0.00 0.64 0.12 -0.06 -0.92 0.00 0.00 175.35 175.14 2jkn s PHE 70 N -1.01 3.22 -0.07 3.18 0.40 -1.26 -1.77 117.98 120.67 2jkn s PHE 70 Ca 0.17 0.06 -0.28 0.00 -0.60 0.00 0.00 56.93 56.28 2jkn s PHE 70 Cb -0.11 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 41.88 2jkn s PHE 70 CO 0.07 0.53 0.64 -0.59 0.70 0.00 0.00 175.22 176.57 2jkn s PHE 71 N -1.55 -0.62 0.52 0.36 -0.12 -0.13 -1.78 117.98 114.67 2jkn s PHE 71 Ca 0.31 1.13 -0.18 0.00 -0.05 0.00 0.00 56.93 58.14 2jkn s PHE 71 Cb -0.11 0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 42.56 2jkn s PHE 71 CO 0.23 -0.55 1.02 -0.51 -0.05 0.00 0.00 175.22 175.36 2jkn s LEU 72 N -1.00 3.68 0.01 -1.99 1.02 0.33 -4.53 118.68 116.20 2jkn s LEU 72 Ca -0.10 1.77 0.06 0.00 0.02 0.00 0.00 54.13 55.88 2jkn s LEU 72 Cb -0.01 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 2jkn s LEU 72 CO 0.08 -0.81 -0.18 -0.51 0.02 0.00 0.00 176.35 174.95 2jkn s ILE 73 N -2.33 1.42 0.89 -0.59 1.10 -0.39 -1.23 121.20 120.07 2jkn s ILE 73 Ca 0.63 -0.90 -0.11 0.00 -0.51 0.00 0.00 60.65 59.76 2jkn s ILE 73 Cb -0.14 -1.21 0.13 0.00 0.15 0.00 0.00 42.46 41.39 2jkn s ILE 73 CO 0.28 0.30 1.10 -0.94 -2.11 0.00 0.00 174.94 173.56 2jkn s SER 74 N -0.70 3.44 0.36 4.50 1.04 -0.21 -1.28 113.70 120.84 2jkn s SER 74 Ca 0.06 1.70 0.09 0.00 0.48 0.00 0.00 55.95 58.28 2jkn s SER 74 Cb -0.07 -2.34 0.81 0.00 0.10 0.00 0.00 66.02 64.52 2jkn s SER 74 CO 0.00 -2.69 1.90 0.44 0.98 0.00 0.00 173.24 173.87 2jkn h ASP 75 N -1.59 0.64 -0.05 7.02 3.32 -1.69 -0.24 116.42 123.82 2jkn h ASP 75 Ca -0.48 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jkn h ASP 75 Cb 1.27 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jkn h ASP 75 CO 0.51 0.35 0.00 -0.46 -1.72 0.00 0.00 179.24 177.92 2jkn n ASN 76 N -4.53 0.80 0.00 6.45 6.94 -1.26 -4.90 115.26 118.75 2jkn n ASN 76 Ca 0.15 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.27 2jkn n ASN 76 Cb 0.41 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.30 -0.04 -0.06 0.53 5.15 -0.10 -4.89 115.26 115.54 2jkn n ASN 77 Ca 0.17 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.97 2jkn n ASN 77 Cb 0.21 -0.68 -0.13 0.00 -0.53 0.00 0.00 39.78 38.65 2jkn n ASN 77 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2jkn h ARG 78 N 2.17 0.07 -5.45 1.20 2.43 -1.91 -3.46 114.38 109.43 2jkn h ARG 78 Ca 0.00 -0.12 -0.63 0.00 -0.81 0.00 0.00 59.98 58.42 2jkn h ARG 78 Cb 0.00 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.49 2jkn h ARG 78 CO 0.00 1.06 -0.50 -0.51 -1.51 0.00 0.00 179.97 178.51 2jkn s ASP 79 N -6.66 6.17 0.02 -3.80 1.01 -1.26 -4.95 116.67 107.20 2jkn s ASP 79 Ca -0.22 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.35 2jkn s ASP 79 Cb 0.02 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2jkn s ASP 79 CO 0.68 0.28 0.09 -0.54 0.21 0.00 0.00 175.17 175.89 2jkn s LYS 80 N -0.25 3.03 -0.31 8.23 1.02 -1.26 -1.05 119.74 129.15 2jkn s LYS 80 Ca 0.10 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2jkn s LYS 80 Cb -0.12 -2.83 0.10 0.00 -0.52 0.00 0.00 37.83 34.46 2jkn s LYS 80 CO 0.01 0.62 0.08 -1.17 -0.92 0.00 0.00 175.35 173.97 2jkn s LEU 81 N -1.95 2.87 0.24 3.17 2.96 -0.37 -4.97 118.68 120.63 2jkn s LEU 81 Ca 0.25 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 52.14 2jkn s LEU 81 Cb -0.12 -1.07 -0.10 0.00 0.50 0.00 0.00 46.19 45.41 2jkn s LEU 81 CO 0.17 -0.40 1.40 -0.31 -1.32 0.00 0.00 176.35 175.89 2jkn s TYR 82 N 1.43 3.08 0.16 5.38 1.51 -1.26 -0.52 117.35 127.13 2jkn s TYR 82 Ca 0.09 1.09 0.04 0.00 -1.01 0.00 0.00 57.07 57.28 2jkn s TYR 82 Cb -0.18 -3.76 -0.05 0.00 -0.11 0.00 0.00 41.96 37.87 2jkn s TYR 82 CO -0.20 -2.43 -0.07 0.14 -1.11 0.00 0.00 175.55 171.88 2jkn s VAL 83 N -0.03 1.03 -0.02 0.71 -7.23 -0.73 -1.01 120.40 113.12 2jkn s VAL 83 Ca 0.58 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2jkn s VAL 83 Cb -0.40 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 2jkn s VAL 83 CO 0.42 -0.67 -0.03 0.20 -0.31 0.00 0.00 175.10 174.71 2jkn s ASN 84 N -3.17 4.93 -0.15 4.85 0.01 0.71 -4.29 114.94 117.82 2jkn s ASN 84 Ca 0.19 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.31 2jkn s ASN 84 Cb 0.04 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.45 2jkn s ASN 84 CO 0.01 0.30 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.10 2jkn s ILE 85 N -1.01 2.46 -0.15 0.60 1.01 -1.26 -1.04 121.20 121.81 2jkn s ILE 85 Ca 0.17 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 2jkn s ILE 85 Cb -0.11 -2.02 0.05 0.00 0.01 0.00 0.00 42.46 40.39 2jkn s ILE 85 CO 0.08 0.53 0.38 -0.60 0.00 0.00 0.00 174.94 175.32 2jkn s ARG 86 N 0.78 0.37 0.42 2.79 3.52 -0.73 -4.98 118.95 121.12 2jkn s ARG 86 Ca -0.07 0.69 -0.25 0.00 -0.13 0.00 0.00 55.73 55.98 2jkn s ARG 86 Cb -0.15 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.16 2jkn s ARG 86 CO -0.00 -0.14 1.19 -1.25 -0.81 0.00 0.00 175.30 174.30 2jkn s PRO 87 N 1.13 3.96 0.52 5.12 0.04 -1.26 0.12 135.00 144.63 2jkn s PRO 87 Ca -0.08 1.89 0.31 0.00 0.04 0.00 0.00 61.00 63.16 2jkn s PRO 87 Cb -0.08 -2.63 1.20 0.00 0.04 0.00 0.00 34.50 33.04 2jkn s PRO 87 CO -0.09 -0.41 1.92 1.79 0.04 0.00 0.00 177.00 180.25 2jkn h THR 88 N 2.23 0.09 -3.37 1.26 1.35 -1.54 -3.45 112.91 109.49 2jkn h THR 88 Ca -0.49 -0.66 -0.09 0.00 -0.55 0.00 0.00 66.41 64.63 2jkn h THR 88 Cb 1.24 1.60 0.02 0.00 -1.73 0.00 0.00 68.15 69.28 2jkn h THR 88 CO 0.62 0.03 0.04 -0.90 -0.25 0.00 0.00 175.52 175.06 2jkn n ASP 89 N -3.14 0.20 -1.60 5.36 3.85 -1.26 -4.98 116.55 114.98 2jkn n ASP 89 Ca 0.01 -1.19 -0.04 0.00 -0.71 0.00 0.00 54.79 52.86 2jkn n ASP 89 Cb 0.35 -0.14 0.20 0.00 -1.35 0.00 0.00 41.12 40.18 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 -3.03 3.86 -4.80 -1.12 3.02 -1.26 -4.98 115.26 106.95 2jkn n ASN 90 Ca 0.03 -2.81 -0.34 0.00 -0.03 0.00 0.00 54.58 51.43 2jkn n ASN 90 Cb 0.11 -0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 38.57 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 -0.51 6.63 -0.19 6.41 1.04 -1.26 -5.03 113.70 120.79 2jkn s SER 91 Ca 0.37 1.84 -0.17 0.00 0.48 0.00 0.00 55.95 58.47 2jkn s SER 91 Cb 0.29 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 2jkn s SER 91 CO 0.09 -0.58 0.45 0.00 0.98 0.00 0.00 173.24 174.18 2jkn s ALA 92 N -2.02 3.54 0.22 5.32 0.00 -1.26 -4.87 121.76 122.70 2jkn s ALA 92 Ca 0.64 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.21 2jkn s ALA 92 Cb -0.14 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2jkn s ALA 92 CO 0.18 -0.30 -0.04 -1.58 0.00 0.00 0.00 175.76 174.02 2jkn s TRP 93 N 1.31 1.57 0.03 0.00 0.52 -1.26 -1.00 118.94 120.11 2jkn s TRP 93 Ca 0.22 -0.82 0.04 0.00 0.02 0.00 0.00 56.10 55.55 2jkn s TRP 93 Cb -0.15 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 2jkn s TRP 93 CO 0.09 0.07 -0.12 0.99 0.02 0.00 0.00 176.95 177.99 2jkn s THR 94 N -3.30 0.98 -0.16 2.01 2.01 0.66 -4.86 115.64 112.98 2jkn s THR 94 Ca 0.26 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2jkn s THR 94 Cb 0.04 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2jkn s THR 94 CO 0.07 -0.03 0.03 -0.89 -0.69 0.00 0.00 174.62 173.12 2jkn s THR 95 N -0.85 4.55 -0.28 -0.82 2.01 -1.26 -0.71 115.64 118.28 2jkn s THR 95 Ca 0.00 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 2jkn s THR 95 Cb -0.08 -3.01 0.11 0.00 0.01 0.00 0.00 72.50 69.54 2jkn s THR 95 CO 0.01 0.50 0.21 -0.62 -0.69 0.00 0.00 174.62 174.03 2jkn s ASP 96 N 0.09 2.49 -1.10 3.53 3.68 0.69 -4.98 116.67 121.08 2jkn s ASP 96 Ca 0.04 -0.94 -0.22 0.00 2.13 0.00 0.00 52.55 53.56 2jkn s ASP 96 Cb -0.13 0.10 0.01 0.00 -1.45 0.00 0.00 42.92 41.45 2jkn s ASP 96 CO 0.01 -0.41 0.73 -3.20 0.13 0.00 0.00 175.17 172.43 2jkn n ASN 97 N 5.28 -5.01 0.00 -0.34 5.15 -1.26 -1.71 115.26 117.38 2jkn n ASN 97 Ca -0.04 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 2jkn n ASN 97 Cb 0.45 -2.65 0.00 0.00 -0.53 0.00 0.00 39.78 37.04 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 -1.82 1.44 3.49 8.20 0.00 -1.26 -5.00 105.19 110.23 2jkn n GLY 98 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.93 3.90 -0.36 1.61 1.01 -0.69 -0.68 120.40 122.26 2jkn s VAL 99 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2jkn s VAL 99 Cb 0.00 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.74 2jkn s VAL 99 CO 0.00 0.48 0.12 0.12 0.00 0.00 0.00 175.10 175.83 2jkn s PHE 100 N 0.45 3.45 0.19 5.22 5.36 0.21 -0.22 117.98 132.64 2jkn s PHE 100 Ca -0.03 -2.15 0.11 0.00 -0.96 0.00 0.00 56.93 53.89 2jkn s PHE 100 Cb -0.14 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 2jkn s PHE 100 CO 0.03 -0.89 -0.20 1.52 -1.46 0.00 0.00 175.22 174.21 2jkn s TYR 101 N 1.20 2.39 0.11 10.12 1.13 0.11 -1.19 117.35 131.21 2jkn s TYR 101 Ca 0.03 -0.32 -0.28 0.00 -1.41 0.00 0.00 57.07 55.09 2jkn s TYR 101 Cb -0.21 -1.17 -0.06 0.00 -1.10 0.00 0.00 41.96 39.41 2jkn s TYR 101 CO -0.03 0.52 0.86 0.21 -2.51 0.00 0.00 175.55 174.60 2jkn s LYS 102 N -2.76 4.62 0.35 -3.49 2.20 -0.06 -0.24 119.74 120.36 2jkn s LYS 102 Ca 0.22 1.28 0.04 0.00 -0.36 0.00 0.00 55.97 57.15 2jkn s LYS 102 Cb -0.08 -3.34 0.63 0.00 -1.51 0.00 0.00 37.83 33.53 2jkn s LYS 102 CO 0.11 0.32 1.93 -0.91 -0.36 0.00 0.00 175.35 176.45 2jkn h ASN 103 N 5.27 0.57 -3.25 1.43 4.21 -1.40 -3.43 115.58 118.98 2jkn h ASN 103 Ca -0.44 -0.07 -0.64 0.00 1.21 0.00 0.00 56.30 56.36 2jkn h ASN 103 Cb 1.21 -0.15 -0.11 0.00 -1.12 0.00 0.00 38.32 38.15 2jkn h ASN 103 CO 0.70 0.54 -0.64 -1.81 -1.29 0.00 0.00 177.43 174.93 2jkn s ASP 104 N -6.66 5.16 0.83 5.81 1.01 -1.26 -5.05 116.67 116.51 2jkn s ASP 104 Ca -0.08 -0.15 -0.11 0.00 0.71 0.00 0.00 52.55 52.92 2jkn s ASP 104 Cb 0.16 -1.27 0.09 0.00 1.01 0.00 0.00 42.92 42.92 2jkn s ASP 104 CO 0.76 0.16 1.09 0.68 0.21 0.00 0.00 175.17 178.08 2jkn s VAL 105 N -1.38 2.97 0.00 -1.27 -7.23 -1.26 -4.58 120.40 107.65 2jkn s VAL 105 Ca 0.27 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2jkn s VAL 105 Cb -0.12 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2jkn s VAL 105 CO 0.19 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2jkn n GLY 106 N -1.48 4.36 3.09 2.32 0.00 -0.76 -4.94 105.19 107.79 2jkn n GLY 106 Ca 0.07 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 4.56 -4.77 1.61 7.64 -1.19 -4.43 113.62 117.04 2jkn n SER 107 Ca 0.00 -2.93 -0.38 0.00 1.01 0.00 0.00 58.87 56.57 2jkn n SER 107 Cb 0.00 -1.64 -0.02 0.00 -1.01 0.00 0.00 64.21 61.54 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 2.78 2.99 -0.02 1.43 -0.00 -1.26 -4.62 118.94 120.24 2jkn s TRP 108 Ca 0.47 1.52 0.04 0.00 -0.00 0.00 0.00 56.10 58.13 2jkn s TRP 108 Cb 0.08 -3.46 -0.01 0.00 -0.00 0.00 0.00 33.47 30.08 2jkn s TRP 108 CO -0.01 -1.52 -0.14 0.20 -0.00 0.00 0.00 176.95 175.47 2jkn s GLY 109 N -1.04 0.73 -0.02 5.86 0.00 -1.26 -1.08 107.32 110.52 2jkn s GLY 109 Ca 0.57 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.65 2jkn s GLY 109 CO 0.41 -0.40 0.24 0.61 0.00 0.00 0.00 173.10 173.96 2jkn n GLY 110 N 2.93 0.36 3.36 0.20 0.00 0.14 -5.00 105.19 107.18 2jkn n GLY 110 Ca -0.16 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.02 2.93 -0.24 -0.61 -1.09 -1.26 -1.10 121.20 117.80 2jkn s ILE 111 Ca 0.06 -0.71 -0.08 0.00 -2.23 0.00 0.00 60.65 57.68 2jkn s ILE 111 Cb -0.00 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 2jkn s ILE 111 CO -0.00 0.53 0.10 -0.63 -1.23 0.00 0.00 174.94 173.71 2jkn s ILE 112 N 0.26 4.66 0.12 2.92 -1.09 0.25 -1.22 121.20 127.10 2jkn s ILE 112 Ca -0.10 -0.06 -0.14 0.00 -2.23 0.00 0.00 60.65 58.12 2jkn s ILE 112 Cb -0.16 -3.18 -0.07 0.00 -1.58 0.00 0.00 42.46 37.48 2jkn s ILE 112 CO 0.06 0.34 0.53 -0.83 -1.23 0.00 0.00 174.94 173.80 2jkn s GLY 113 N 1.41 2.47 -0.21 6.18 0.00 0.12 -0.39 107.32 116.90 2jkn s GLY 113 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.59 2jkn s GLY 113 CO 0.05 0.15 -0.02 -0.42 0.00 0.00 0.00 173.10 172.86 2jkn s ILE 114 N -1.39 3.65 0.03 0.90 -1.09 -0.69 -1.77 121.20 120.84 2jkn s ILE 114 Ca 0.35 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.42 2jkn s ILE 114 Cb -0.16 -2.66 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 2jkn s ILE 114 CO 0.19 0.42 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.84 2jkn s TYR 115 N 1.26 1.48 0.22 3.97 2.02 -0.21 -0.55 117.35 125.54 2jkn s TYR 115 Ca 0.03 -0.34 -0.32 0.00 -0.37 0.00 0.00 57.07 56.08 2jkn s TYR 115 Cb -0.14 -0.90 -0.12 0.00 -0.40 0.00 0.00 41.96 40.40 2jkn s TYR 115 CO -0.00 0.04 1.68 0.08 -1.57 0.00 0.00 175.55 175.78 2jkn s VAL 116 N -0.73 2.11 -0.59 0.71 1.01 0.20 -0.21 120.40 122.91 2jkn s VAL 116 Ca 0.05 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2jkn s VAL 116 Cb -0.08 -3.05 0.15 0.00 0.00 0.00 0.00 36.38 33.40 2jkn s VAL 116 CO 0.01 0.01 0.48 -0.62 0.00 0.00 0.00 175.10 174.97 2jkn s ASP 117 N 1.06 5.92 0.00 3.32 2.15 -0.18 -0.56 116.67 128.38 2jkn s ASP 117 Ca 0.72 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.46 2jkn s ASP 117 Cb -0.49 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jkn s ASP 117 CO 0.34 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2jkn n GLY 118 N 4.49 -1.01 3.68 2.66 0.00 -1.26 -4.73 105.19 109.02 2jkn n GLY 118 Ca -0.01 -1.29 -0.45 0.00 0.00 0.00 0.00 46.02 44.27 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 0.36 2.40 -2.72 1.61 -0.00 -1.26 -4.43 117.38 113.33 2jkn n GLN 119 Ca 0.00 0.87 -0.17 0.00 -0.00 0.00 0.00 57.00 57.69 2jkn n GLN 119 Cb 0.00 -2.69 0.00 0.00 -0.00 0.00 0.00 30.24 27.55 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 4.52 1.99 0.00 2.61 6.02 -0.04 -4.90 117.38 127.57 2jkn n GLN 120 Ca 0.18 -3.80 0.09 0.00 -0.01 0.00 0.00 57.00 53.46 2jkn n GLN 120 Cb 0.32 -1.71 0.54 0.00 1.02 0.00 0.00 30.24 30.40 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 -0.14 0.05 -0.11 5.09 -2.24 -1.24 -2.03 114.28 113.66 2jkn n THR 121 Ca 0.22 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 2jkn n THR 121 Cb 0.70 -0.73 0.22 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.03 3.33 -4.65 3.42 5.03 -1.26 -4.33 115.26 115.76 2jkn n ASN 122 Ca 0.13 -1.96 -0.46 0.00 0.87 0.00 0.00 54.58 53.16 2jkn n ASN 122 Cb 0.07 -0.31 -0.04 0.00 -1.02 0.00 0.00 39.78 38.48 2jkn n ASN 122 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2jkn n THR 123 N 1.12 0.41 -2.09 3.41 -1.04 -0.86 -4.91 114.28 110.32 2jkn n THR 123 Ca 0.17 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 2jkn n THR 123 Cb 0.52 -1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 67.62 2jkn n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkn s PRO 124 N 0.29 4.32 0.41 -2.82 0.02 -1.26 -4.83 135.00 131.12 2jkn s PRO 124 Ca 0.75 2.22 -0.26 0.00 0.02 0.00 0.00 61.00 63.73 2jkn s PRO 124 Cb -0.71 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 30.59 2jkn s PRO 124 CO 0.44 -0.30 1.35 -2.30 -0.33 0.00 0.00 177.00 175.86 2jkn n PRO 125 N 1.84 2.16 -3.69 5.54 -0.02 -1.26 -4.85 135.00 134.72 2jkn n PRO 125 Ca 0.04 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2jkn n PRO 125 Cb 0.41 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.69 -1.96 3.56 -1.23 0.00 -0.66 -4.96 105.19 100.62 2jkn n GLY 126 Ca 0.05 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.61 5.36 0.01 1.61 0.01 -1.26 -0.53 114.94 118.53 2jkn s ASN 127 Ca 0.00 -0.04 0.07 0.00 -0.71 0.00 0.00 52.86 52.19 2jkn s ASN 127 Cb 0.00 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 2jkn s ASN 127 CO 0.00 0.11 -0.22 -0.31 -1.51 0.00 0.00 177.10 175.17 2jkn s TYR 128 N 0.75 2.45 0.02 2.20 2.02 0.96 -1.72 117.35 124.02 2jkn s TYR 128 Ca 0.03 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2jkn s TYR 128 Cb -0.14 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2jkn s TYR 128 CO 0.02 0.12 -0.07 0.99 -1.57 0.00 0.00 175.55 175.04 2jkn s THR 129 N -0.76 0.52 -0.10 -0.71 2.01 -0.41 -0.87 115.64 115.32 2jkn s THR 129 Ca 0.12 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2jkn s THR 129 Cb -0.10 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 71.93 2jkn s THR 129 CO 0.02 -0.08 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.57 2jkn s LEU 130 N -0.74 1.23 -0.18 4.42 2.96 0.21 -1.26 118.68 125.31 2jkn s LEU 130 Ca -0.03 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2jkn s LEU 130 Cb -0.05 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2jkn s LEU 130 CO 0.00 -0.09 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.00 2jkn s THR 131 N 1.50 3.60 -0.11 3.68 2.01 -1.26 -0.41 115.64 124.66 2jkn s THR 131 Ca 0.01 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2jkn s THR 131 Cb -0.13 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.79 2jkn s THR 131 CO -0.06 0.46 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.39 2jkn s LEU 132 N 0.89 1.87 -0.11 4.42 1.43 -0.14 -1.75 118.68 125.30 2jkn s LEU 132 Ca -0.01 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2jkn s LEU 132 Cb -0.15 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2jkn s LEU 132 CO 0.01 0.06 -0.05 -0.89 0.23 0.00 0.00 176.35 175.72 2jkn s THR 133 N 0.75 3.86 0.44 5.49 2.01 -0.02 -0.55 115.64 127.62 2jkn s THR 133 Ca -0.11 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 2jkn s THR 133 Cb -0.16 -2.63 -0.11 0.00 0.01 0.00 0.00 72.50 69.61 2jkn s THR 133 CO 0.02 0.55 0.95 -0.83 -0.69 0.00 0.00 174.62 174.62 2jkn s GLY 134 N -0.30 2.35 0.00 4.40 0.00 -0.34 -0.67 107.32 112.76 2jkn s GLY 134 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2jkn s GLY 134 CO 0.02 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.38 2jkn n GLY 135 N -0.76 -0.67 3.05 0.20 0.00 -0.39 -1.09 105.19 105.53 2jkn n GLY 135 Ca 0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.52 0.35 0.24 1.61 1.13 -0.62 -0.77 117.35 115.78 2jkn s TYR 136 Ca 0.00 -0.74 0.10 0.00 -1.41 0.00 0.00 57.07 55.02 2jkn s TYR 136 Cb 0.00 -0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.56 2jkn s TYR 136 CO 0.00 -0.30 -0.11 -0.46 -2.51 0.00 0.00 175.55 172.17 2jkn s TRP 137 N -2.69 2.51 0.00 -3.49 -0.00 -0.28 -0.79 118.94 114.20 2jkn s TRP 137 Ca -0.04 -0.27 0.00 0.00 -0.00 0.00 0.00 56.10 55.79 2jkn s TRP 137 Cb -0.01 -1.14 0.00 0.00 -0.00 0.00 0.00 33.47 32.32 2jkn s TRP 137 CO -0.05 0.62 0.00 0.00 -0.00 0.00 0.00 176.95 177.51