#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkl s SER 1 N 0.00 -0.63 0.04 1.61 1.04 -0.41 -4.93 113.70 110.43 2jkl s SER 1 Ca 0.00 0.72 -0.24 0.00 0.48 0.00 0.00 55.95 56.91 2jkl s SER 1 Cb 0.00 0.58 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 2jkl s SER 1 CO 0.00 -0.58 0.71 0.12 0.98 0.00 0.00 173.24 174.48 2jkl s PHE 2 N -1.10 3.74 -0.26 5.02 2.19 -1.26 -1.78 117.98 124.53 2jkl s PHE 2 Ca -0.10 1.40 -0.02 0.00 0.33 0.00 0.00 56.93 58.54 2jkl s PHE 2 Cb -0.01 -2.75 0.03 0.00 -1.31 0.00 0.00 43.02 38.99 2jkl s PHE 2 CO 0.09 0.33 -0.04 0.99 1.83 0.00 0.00 175.22 178.42 2jkl s THR 3 N -0.23 2.98 0.05 0.12 2.01 0.08 -4.98 115.64 115.67 2jkl s THR 3 Ca 0.36 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 2jkl s THR 3 Cb -0.20 -2.55 -0.08 0.00 0.01 0.00 0.00 72.50 69.68 2jkl s THR 3 CO 0.21 0.14 1.67 -2.84 -0.69 0.00 0.00 174.62 173.12 2jkl s PRO 4 N 1.33 4.19 -0.44 4.92 0.02 -1.26 -1.71 135.00 142.04 2jkl s PRO 4 Ca -0.01 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.37 2jkl s PRO 4 Cb -0.17 -3.70 0.19 0.00 0.02 0.00 0.00 34.50 30.84 2jkl s PRO 4 CO -0.03 -0.77 0.81 0.45 -0.33 0.00 0.00 177.00 177.13 2jkl s SER 5 N 2.69 -1.14 0.00 2.53 0.15 -0.56 -4.94 113.70 112.43 2jkl s SER 5 Ca 0.75 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2jkl s SER 5 Cb -0.39 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 2jkl s SER 5 CO 0.32 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2jkl n GLY 6 N 3.31 -0.75 3.97 9.45 0.00 -1.11 -3.58 105.19 116.48 2jkl n GLY 6 Ca 0.14 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 2jkl n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkl s THR 7 N -2.97 2.15 -0.10 2.61 -4.23 -1.26 -4.65 115.64 107.18 2jkl s THR 7 Ca 0.00 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 2jkl s THR 7 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 2jkl s THR 7 CO 0.00 0.00 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.04 2jkl s THR 8 N -2.64 2.92 -0.09 3.99 2.01 -1.26 -1.21 115.64 119.36 2jkl s THR 8 Ca 0.51 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 2jkl s THR 8 Cb -0.05 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 2jkl s THR 8 CO 0.31 0.55 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.91 2jkl s GLY 9 N -0.00 1.73 -0.15 4.40 0.00 -0.23 -4.98 107.32 108.09 2jkl s GLY 9 Ca -0.04 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2jkl s GLY 9 CO 0.04 -0.53 -0.21 -1.59 0.00 0.00 0.00 173.10 170.81 2jkl s THR 10 N -0.60 1.99 -0.27 0.90 2.01 -1.26 -1.33 115.64 117.08 2jkl s THR 10 Ca 0.09 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 2jkl s THR 10 Cb -0.12 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 2jkl s THR 10 CO 0.02 0.53 0.17 -0.89 -0.69 0.00 0.00 174.62 173.77 2jkl s THR 11 N 0.98 5.23 0.03 -0.82 2.01 0.39 -4.96 115.64 118.50 2jkl s THR 11 Ca -0.03 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.20 2jkl s THR 11 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2jkl s THR 11 CO -0.05 0.28 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.36 2jkl s LYS 12 N 1.61 1.91 -0.11 4.92 1.02 -1.26 -0.69 119.74 127.13 2jkl s LYS 12 Ca 0.07 -1.05 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 2jkl s LYS 12 Cb -0.15 -2.01 0.05 0.00 -0.52 0.00 0.00 37.83 35.19 2jkl s LYS 12 CO 0.09 0.53 0.25 -1.17 -0.92 0.00 0.00 175.35 174.13 2jkl s LEU 13 N -1.09 0.37 -0.25 3.17 2.96 -0.02 -4.62 118.68 119.20 2jkl s LEU 13 Ca 0.11 0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 54.47 2jkl s LEU 13 Cb -0.10 0.77 -0.05 0.00 0.50 0.00 0.00 46.19 47.31 2jkl s LEU 13 CO 0.01 -0.17 0.14 -0.89 -1.32 0.00 0.00 176.35 174.13 2jkl s THR 14 N 1.28 5.09 -0.15 3.68 2.01 -0.46 -0.06 115.64 127.03 2jkl s THR 14 Ca -0.09 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2jkl s THR 14 Cb -0.10 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2jkl s THR 14 CO -0.09 0.33 0.18 -0.69 -0.69 0.00 0.00 174.62 173.66 2jkl s VAL 15 N 1.27 5.41 0.36 3.82 1.01 0.19 -1.04 120.40 131.42 2jkl s VAL 15 Ca 0.07 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2jkl s VAL 15 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2jkl s VAL 15 CO 0.06 0.51 0.10 0.42 0.00 0.00 0.00 175.10 176.19 2jkl s THR 16 N -0.25 0.78 0.76 3.92 -4.23 -0.41 -1.53 115.64 114.67 2jkl s THR 16 Ca 0.13 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 2jkl s THR 16 Cb -0.12 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.36 2jkl s THR 16 CO 0.02 0.00 1.03 -0.62 -0.54 0.00 0.00 174.62 174.51 2jkl n GLU 17 N -0.78 -0.63 -0.21 3.99 -0.58 -1.26 -1.25 120.64 119.91 2jkl n GLU 17 Ca -0.04 -2.06 -0.02 0.00 -0.42 0.00 0.00 57.16 54.63 2jkl n GLU 17 Cb 0.66 -0.92 0.09 0.00 -0.57 0.00 0.00 31.44 30.70 2jkl n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jkl h LYS 18 N 0.00 0.55 -6.62 3.49 3.11 -1.98 -3.35 116.57 111.78 2jkl h LYS 18 Ca -0.34 -0.03 -0.57 0.00 -2.81 0.00 0.00 60.65 56.90 2jkl h LYS 18 Cb 1.05 -0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 32.08 2jkl h LYS 18 CO 0.29 0.37 0.88 0.00 -2.81 0.00 0.00 179.45 178.17 2jkl s GLN 20 N 4.32 3.11 -0.36 0.00 0.74 -1.26 -5.05 119.66 121.16 2jkl s GLN 20 Ca 0.46 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 55.06 2jkl s GLN 20 Cb -0.08 -2.54 0.09 0.00 1.10 0.00 0.00 33.01 31.59 2jkl s GLN 20 CO 0.30 -0.01 0.11 0.08 -0.55 0.00 0.00 175.29 175.22 2jkl s VAL 21 N 0.85 3.01 -0.28 1.34 1.01 -1.26 -5.08 120.40 119.99 2jkl s VAL 21 Ca -0.06 -1.90 -0.25 0.00 0.00 0.00 0.00 61.98 59.78 2jkl s VAL 21 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2jkl s VAL 21 CO -0.02 -0.49 0.86 -0.13 0.00 0.00 0.00 175.10 175.32 2jkl s ARG 22 N 1.13 4.08 -0.15 2.72 0.52 -1.26 -5.04 118.95 120.96 2jkl s ARG 22 Ca 0.04 0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 56.07 2jkl s ARG 22 Cb -0.21 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 2jkl s ARG 22 CO -0.04 -0.64 -0.07 0.08 0.02 0.00 0.00 175.30 174.65 2jkl s VAL 23 N 3.02 3.53 0.00 3.52 1.01 -1.26 -5.03 120.40 125.19 2jkl s VAL 23 Ca 0.36 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2jkl s VAL 23 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2jkl s VAL 23 CO 0.10 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2jkl n GLY 24 N 3.61 -1.27 3.66 4.51 0.00 -1.26 -4.91 105.19 109.53 2jkl n GLY 24 Ca -0.18 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 2jkl n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkl n ASP 25 N -0.28 1.03 -4.75 1.61 10.43 -1.26 -4.91 116.55 118.42 2jkl n ASP 25 Ca 0.00 0.72 -0.41 0.00 2.57 0.00 0.00 54.79 57.67 2jkl n ASP 25 Cb 0.00 -1.46 -0.01 0.00 1.84 0.00 0.00 41.12 41.49 2jkl n ASP 25 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2jkl s LEU 26 N -3.63 4.34 0.18 0.64 2.96 -1.26 -5.01 118.68 116.90 2jkl s LEU 26 Ca 0.76 2.96 -0.02 0.00 -0.22 0.00 0.00 54.13 57.61 2jkl s LEU 26 Cb -0.36 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.66 2jkl s LEU 26 CO 0.47 -0.91 0.14 0.42 -1.32 0.00 0.00 176.35 175.15 2jkl s THR 27 N -0.06 0.03 -0.18 3.68 -4.23 -1.26 -5.12 115.64 108.50 2jkl s THR 27 Ca 0.63 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.94 2jkl s THR 27 Cb -0.48 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2jkl s THR 27 CO 0.49 -0.13 1.25 -0.69 -0.54 0.00 0.00 174.62 175.00 2jkl s VAL 28 N -4.11 4.29 -0.03 2.29 1.01 -1.26 -5.00 120.40 117.59 2jkl s VAL 28 Ca 0.33 1.56 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 2jkl s VAL 28 Cb 0.06 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2jkl s VAL 28 CO 0.09 -0.17 0.10 0.00 0.00 0.00 0.00 175.10 175.11 2jkl s ALA 29 N 3.56 -0.23 0.01 5.51 0.00 -1.26 -1.36 121.76 127.99 2jkl s ALA 29 Ca 0.54 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 2jkl s ALA 29 Cb -0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2jkl s ALA 29 CO 0.15 -0.08 -0.00 0.15 0.00 0.00 0.00 175.76 175.98 2jkl s LYS 30 N -0.23 0.29 0.60 0.00 1.02 -0.21 -4.95 119.74 116.26 2jkl s LYS 30 Ca -0.03 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.32 2jkl s LYS 30 Cb -0.02 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2jkl s LYS 30 CO 0.00 -0.05 1.04 0.95 -0.92 0.00 0.00 175.35 176.37 2jkl s THR 31 N -1.25 4.11 0.49 2.17 -4.23 -1.26 -1.29 115.64 114.37 2jkl s THR 31 Ca -0.14 0.91 0.28 0.00 -1.18 0.00 0.00 61.69 61.57 2jkl s THR 31 Cb -0.08 -3.51 0.32 0.00 1.34 0.00 0.00 72.50 70.56 2jkl s THR 31 CO -0.01 -0.68 2.15 0.08 -0.54 0.00 0.00 174.62 175.63 2jkl h ARG 32 N 0.27 0.00 0.00 3.99 0.11 -1.47 -0.67 114.38 116.61 2jkl h ARG 32 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2jkl h ARG 32 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2jkl h ARG 32 CO 0.59 0.07 0.00 0.78 0.10 0.00 0.00 179.97 181.51 2jkl h GLY 33 N 0.49 0.00 0.42 0.08 0.00 -1.85 -1.89 103.07 100.31 2jkl h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jkl h GLY 33 CO 0.01 0.00 -0.18 -1.06 0.00 0.00 0.00 176.54 175.30 2jkl n GLN 34 N -2.90 0.85 -1.69 4.80 6.02 -0.26 -4.45 117.38 119.76 2jkl n GLN 34 Ca -0.00 -0.44 -0.40 0.00 -0.01 0.00 0.00 57.00 56.15 2jkl n GLN 34 Cb 0.21 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 2jkl n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkl n LEU 35 N -0.69 8.29 -4.93 1.08 4.77 -0.71 -4.86 117.00 119.95 2jkl n LEU 35 Ca 0.14 -4.62 -0.25 0.00 -0.03 0.00 0.00 56.01 51.24 2jkl n LEU 35 Cb 0.32 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.96 2jkl n LEU 35 CO 0.24 2.01 0.38 0.42 -1.33 0.00 0.00 177.39 179.11 2jkl s THR 36 N 0.56 4.28 0.23 -5.08 -4.23 -1.26 -1.71 115.64 108.44 2jkl s THR 36 Ca 0.60 -0.17 -0.32 0.00 -1.18 0.00 0.00 61.69 60.63 2jkl s THR 36 Cb 0.18 -3.62 -0.13 0.00 1.34 0.00 0.00 72.50 70.27 2jkl s THR 36 CO -0.08 -0.54 1.55 -0.67 -0.54 0.00 0.00 174.62 174.35 2jkl n ASP 37 N -2.23 3.33 0.00 3.99 2.03 -1.26 -1.79 116.55 120.63 2jkl n ASP 37 Ca 0.01 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2jkl n ASP 37 Cb 0.57 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2jkl n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkl n ALA 38 N 2.63 0.00 -1.95 -1.67 0.00 0.79 -4.94 120.51 115.37 2jkl n ALA 38 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2jkl n ALA 38 Cb 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 2jkl n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkl s ALA 39 N -2.67 3.75 0.26 0.00 0.00 -0.74 -4.58 121.76 117.79 2jkl s ALA 39 Ca 0.00 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2jkl s ALA 39 Cb 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 2jkl s ALA 39 CO 0.00 -0.82 1.21 -1.25 0.00 0.00 0.00 175.76 174.89 2jkl s PRO 40 N 1.39 4.49 -0.22 0.00 0.04 -1.26 -0.68 135.00 138.77 2jkl s PRO 40 Ca 0.70 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.70 2jkl s PRO 40 Cb -0.43 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 30.81 2jkl s PRO 40 CO 0.31 -0.03 -0.21 -0.89 0.04 0.00 0.00 177.00 176.22 2jkl n ILE 41 N 1.57 1.23 0.00 0.56 5.41 0.51 -4.91 119.36 123.74 2jkl n ILE 41 Ca 0.01 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2jkl n ILE 41 Cb 0.44 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 2jkl n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkl n GLY 42 N 2.28 2.73 3.88 7.39 0.00 -1.21 -5.03 105.19 115.23 2jkl n GLY 42 Ca -0.39 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2jkl n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkl s PRO 43 N -2.00 3.75 -0.18 1.61 0.04 -1.26 -2.29 135.00 134.66 2jkl s PRO 43 Ca 0.00 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2jkl s PRO 43 Cb 0.00 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.15 2jkl s PRO 43 CO 0.00 -0.00 -0.08 0.08 0.04 0.00 0.00 177.00 177.04 2jkl s VAL 44 N -2.34 1.34 0.34 -0.36 1.01 0.62 -4.96 120.40 116.04 2jkl s VAL 44 Ca 0.50 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 2jkl s VAL 44 Cb -0.10 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 2jkl s VAL 44 CO 0.32 0.16 0.99 0.42 0.00 0.00 0.00 175.10 176.98 2jkl s THR 45 N 1.53 4.02 -0.05 3.92 -4.23 -1.26 -0.31 115.64 119.27 2jkl s THR 45 Ca 0.00 1.66 0.01 0.00 -1.18 0.00 0.00 61.69 62.18 2jkl s THR 45 Cb -0.15 -3.92 0.02 0.00 1.34 0.00 0.00 72.50 69.79 2jkl s THR 45 CO -0.08 0.12 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.40 2jkl s VAL 46 N -1.59 0.48 -0.22 2.29 1.01 -0.05 -4.93 120.40 117.38 2jkl s VAL 46 Ca 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2jkl s VAL 46 Cb -0.21 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.73 2jkl s VAL 46 CO 0.26 0.22 0.09 -1.10 0.00 0.00 0.00 175.10 174.57 2jkl s GLN 47 N 1.03 0.32 0.08 2.72 -1.52 -1.26 -0.80 119.66 120.23 2jkl s GLN 47 Ca -0.09 -0.40 -0.06 0.00 -1.95 0.00 0.00 55.36 52.85 2jkl s GLN 47 Cb -0.14 -1.74 -0.05 0.00 -0.22 0.00 0.00 33.01 30.86 2jkl s GLN 47 CO -0.01 -0.79 0.33 0.00 -0.25 0.00 0.00 175.29 174.57 2jkl s ALA 48 N 2.00 3.82 -0.00 6.09 0.00 -0.58 -5.02 121.76 128.06 2jkl s ALA 48 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2jkl s ALA 48 Cb -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2jkl s ALA 48 CO -0.18 0.66 0.00 -0.51 0.00 0.00 0.00 175.76 175.73 2jkl s LEU 49 N -2.23 1.95 -0.93 0.00 1.02 -1.26 -4.61 118.68 112.62 2jkl s LEU 49 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.50 2jkl s LEU 49 Cb -0.13 -0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.07 2jkl s LEU 49 CO 0.21 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.18 2jkl n GLY 50 N 3.14 0.68 1.43 -3.19 0.00 -1.26 -4.93 105.19 101.06 2jkl n GLY 50 Ca -0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2jkl n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkl h ASP 52 N 1.21 0.18 -0.17 0.00 3.04 -1.92 -1.91 116.42 116.86 2jkl h ASP 52 Ca 0.30 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.07 2jkl h ASP 52 Cb 1.66 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.90 2jkl h ASP 52 CO 0.57 0.11 -0.03 0.00 -2.04 0.00 0.00 179.24 177.85 2jkl n ALA 53 N -2.57 2.93 -2.41 4.15 0.00 -1.26 -3.54 120.51 117.81 2jkl n ALA 53 Ca 0.08 -2.56 -0.14 0.00 0.00 0.00 0.00 53.44 50.83 2jkl n ALA 53 Cb 0.42 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 19.18 2jkl n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkl s ARG 54 N -2.91 0.86 -0.33 0.00 1.81 -0.94 -4.92 118.95 112.52 2jkl s ARG 54 Ca 0.39 -1.21 -0.19 0.00 -1.72 0.00 0.00 55.73 53.00 2jkl s ARG 54 Cb 0.33 -0.48 -0.01 0.00 -0.45 0.00 0.00 34.95 34.34 2jkl s ARG 54 CO 0.05 0.06 0.55 -0.65 -0.68 0.00 0.00 175.30 174.63 2jkl s GLN 55 N -3.05 3.72 0.48 3.54 -0.21 -1.26 -1.47 119.66 121.41 2jkl s GLN 55 Ca 0.07 -0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.20 2jkl s GLN 55 Cb -0.01 -3.78 -0.07 0.00 1.00 0.00 0.00 33.01 30.15 2jkl s GLN 55 CO -0.01 -0.61 1.41 0.28 -2.12 0.00 0.00 175.29 174.24 2jkl n VAL 56 N 5.42 3.11 -3.77 1.09 0.31 -1.26 -1.05 118.33 122.16 2jkl n VAL 56 Ca -0.04 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.68 2jkl n VAL 56 Cb 0.49 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.56 2jkl n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkl s ALA 57 N -1.22 -0.59 -0.07 3.52 0.00 0.35 -0.97 121.76 122.79 2jkl s ALA 57 Ca 0.64 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.52 2jkl s ALA 57 Cb -0.44 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2jkl s ALA 57 CO 0.55 -0.42 -0.15 -0.51 0.00 0.00 0.00 175.76 175.23 2jkl s LEU 58 N -2.18 1.75 -0.13 0.00 2.01 -0.25 -1.13 118.68 118.75 2jkl s LEU 58 Ca -0.04 -0.34 -0.01 0.00 0.01 0.00 0.00 54.13 53.75 2jkl s LEU 58 Cb -0.00 -0.92 -0.02 0.00 0.01 0.00 0.00 46.19 45.26 2jkl s LEU 58 CO -0.05 0.07 -0.10 -0.75 1.01 0.00 0.00 176.35 176.53 2jkl s LYS 59 N 0.52 3.40 0.34 1.70 2.20 0.24 -0.64 119.74 127.49 2jkl s LYS 59 Ca -0.13 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.65 2jkl s LYS 59 Cb -0.15 -2.70 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 2jkl s LYS 59 CO 0.04 0.26 0.83 0.00 -0.36 0.00 0.00 175.35 176.12 2jkl s ALA 60 N 0.25 3.23 0.64 3.13 0.00 -0.36 -0.61 121.76 128.04 2jkl s ALA 60 Ca -0.07 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 2jkl s ALA 60 Cb -0.15 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2jkl s ALA 60 CO 0.05 0.25 1.20 -0.25 0.00 0.00 0.00 175.76 177.00 2jkl n ASP 61 N -0.18 1.70 -0.34 0.00 9.92 -0.72 -4.85 116.55 122.08 2jkl n ASP 61 Ca 0.04 0.82 0.21 0.00 -0.53 0.00 0.00 54.79 55.32 2jkl n ASP 61 Cb 0.53 -1.51 0.45 0.00 -0.64 0.00 0.00 41.12 39.95 2jkl n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jkl h THR 62 N 0.52 0.51 0.00 -3.53 2.02 -1.93 0.10 112.91 110.60 2jkl h THR 62 Ca -0.50 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2jkl h THR 62 Cb 1.35 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2jkl h THR 62 CO 0.52 0.09 0.00 0.47 0.37 0.00 0.00 175.52 176.97 2jkl n ASP 63 N -4.78 0.00 -0.79 4.18 8.00 -1.26 -3.46 116.55 118.43 2jkl n ASP 63 Ca 0.27 -0.50 0.08 0.00 0.71 0.00 0.00 54.79 55.35 2jkl n ASP 63 Cb 0.83 -0.12 0.16 0.00 -0.02 0.00 0.00 41.12 41.97 2jkl n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkl n ASN 64 N -1.12 2.94 -3.77 -2.24 5.03 0.35 -4.74 115.26 111.71 2jkl n ASN 64 Ca 0.16 -1.88 -0.12 0.00 0.87 0.00 0.00 54.58 53.61 2jkl n ASN 64 Cb 0.14 -0.21 -0.08 0.00 -1.02 0.00 0.00 39.78 38.61 2jkl n ASN 64 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2jkl s PHE 65 N -1.10 -0.12 -0.38 3.10 -0.12 -1.23 -1.06 117.98 117.08 2jkl s PHE 65 Ca 0.27 0.06 0.04 0.00 -0.05 0.00 0.00 56.93 57.25 2jkl s PHE 65 Cb 0.15 0.08 0.31 0.00 -0.63 0.00 0.00 43.02 42.93 2jkl s PHE 65 CO 0.21 -0.45 1.26 -1.91 -0.05 0.00 0.00 175.22 174.28 2jkl n GLU 66 N 0.89 0.45 0.00 1.99 2.13 -1.26 -4.98 120.64 119.85 2jkl n GLU 66 Ca -0.20 -1.15 0.00 0.00 0.66 0.00 0.00 57.16 56.47 2jkl n GLU 66 Cb 0.58 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.76 2jkl n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jkl n GLY 68 N 0.69 0.00 3.47 8.31 0.00 -1.26 -4.74 105.19 111.66 2jkl n GLY 68 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2jkl n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkl s LYS 69 N 0.00 2.10 0.10 1.61 1.02 -1.26 -5.00 119.74 118.30 2jkl s LYS 69 Ca 0.00 -0.97 0.05 0.00 0.02 0.00 0.00 55.97 55.07 2jkl s LYS 69 Cb 0.00 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2jkl s LYS 69 CO 0.00 0.54 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.90 2jkl s PHE 70 N -0.94 2.95 -0.14 3.18 0.40 -1.26 -4.31 117.98 117.86 2jkl s PHE 70 Ca 0.15 -0.05 -0.29 0.00 -0.60 0.00 0.00 56.93 56.14 2jkl s PHE 70 Cb -0.11 -1.51 0.08 0.00 0.51 0.00 0.00 43.02 42.00 2jkl s PHE 70 CO 0.06 0.48 0.76 -0.59 0.70 0.00 0.00 175.22 176.63 2jkl s PHE 71 N -1.35 -0.64 0.55 0.36 -0.12 -0.23 -1.75 117.98 114.80 2jkl s PHE 71 Ca 0.26 1.28 -0.17 0.00 -0.05 0.00 0.00 56.93 58.24 2jkl s PHE 71 Cb -0.11 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.59 2jkl s PHE 71 CO 0.18 -0.48 1.04 -0.51 -0.05 0.00 0.00 175.22 175.40 2jkl s LEU 72 N -0.65 3.61 -0.00 -1.99 1.02 -0.06 -4.53 118.68 116.08 2jkl s LEU 72 Ca -0.06 1.81 0.06 0.00 0.02 0.00 0.00 54.13 55.96 2jkl s LEU 72 Cb -0.02 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.64 2jkl s LEU 72 CO 0.05 -0.97 -0.18 -0.51 0.02 0.00 0.00 176.35 174.77 2jkl s ILE 73 N -2.35 1.42 0.88 -0.59 1.10 -0.45 -1.18 121.20 120.02 2jkl s ILE 73 Ca 0.64 -0.85 -0.11 0.00 -0.51 0.00 0.00 60.65 59.82 2jkl s ILE 73 Cb -0.15 -1.19 0.12 0.00 0.15 0.00 0.00 42.46 41.39 2jkl s ILE 73 CO 0.31 0.33 1.10 -0.94 -2.11 0.00 0.00 174.94 173.64 2jkl s SER 74 N -0.59 3.46 0.38 4.50 1.04 -0.19 -1.55 113.70 120.75 2jkl s SER 74 Ca 0.07 1.84 0.11 0.00 0.48 0.00 0.00 55.95 58.44 2jkl s SER 74 Cb -0.07 -2.44 0.88 0.00 0.10 0.00 0.00 66.02 64.49 2jkl s SER 74 CO -0.00 -2.70 1.91 0.44 0.98 0.00 0.00 173.24 173.87 2jkl h ASP 75 N -1.59 0.56 -0.11 7.02 3.32 -1.59 -0.09 116.42 123.93 2jkl h ASP 75 Ca -0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2jkl h ASP 75 Cb 1.26 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jkl h ASP 75 CO 0.49 0.31 0.00 -0.46 -1.72 0.00 0.00 179.24 177.86 2jkl n ASN 76 N -4.51 0.86 0.00 6.45 6.94 -1.26 -4.89 115.26 118.85 2jkl n ASN 76 Ca 0.14 -1.70 0.00 0.00 -0.02 0.00 0.00 54.58 53.00 2jkl n ASN 76 Cb 0.42 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 2jkl n ASN 76 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2jkl n ASN 77 N -0.16 -2.98 -0.06 0.53 5.15 -0.05 -4.88 115.26 112.81 2jkl n ASN 77 Ca 0.12 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.88 2jkl n ASN 77 Cb 0.18 -1.75 -0.12 0.00 -0.53 0.00 0.00 39.78 37.56 2jkl n ASN 77 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jkl n ARG 78 N -1.34 0.67 -3.88 1.20 0.63 -1.26 -4.88 116.66 107.80 2jkl n ARG 78 Ca 0.00 0.35 -0.36 0.00 -0.92 0.00 0.00 57.85 56.92 2jkl n ARG 78 Cb 0.17 -1.67 -0.07 0.00 0.45 0.00 0.00 32.46 31.33 2jkl n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jkl s ASP 79 N -6.97 6.27 -0.01 6.15 1.01 -1.26 -4.96 116.67 116.90 2jkl s ASP 79 Ca -0.28 0.39 0.02 0.00 0.71 0.00 0.00 52.55 53.39 2jkl s ASP 79 Cb 0.08 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.93 2jkl s ASP 79 CO 0.66 0.35 -0.05 -0.54 0.21 0.00 0.00 175.17 175.80 2jkl s LYS 80 N -0.68 2.65 -0.38 8.23 1.02 -1.26 -1.02 119.74 128.29 2jkl s LYS 80 Ca 0.13 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2jkl s LYS 80 Cb -0.12 -2.56 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 2jkl s LYS 80 CO 0.03 0.62 0.13 -1.17 -0.92 0.00 0.00 175.35 174.04 2jkl s LEU 81 N -1.33 3.60 0.31 3.17 2.96 -0.32 -4.96 118.68 122.10 2jkl s LEU 81 Ca 0.17 -2.25 -0.29 0.00 -0.22 0.00 0.00 54.13 51.53 2jkl s LEU 81 Cb -0.11 -1.31 -0.10 0.00 0.50 0.00 0.00 46.19 45.16 2jkl s LEU 81 CO 0.07 -0.34 1.43 -0.31 -1.32 0.00 0.00 176.35 175.88 2jkl s TYR 82 N 0.79 2.90 0.14 5.38 1.51 -1.26 -0.89 117.35 125.92 2jkl s TYR 82 Ca 0.13 1.14 0.01 0.00 -1.01 0.00 0.00 57.07 57.34 2jkl s TYR 82 Cb -0.21 -3.86 -0.04 0.00 -0.11 0.00 0.00 41.96 37.74 2jkl s TYR 82 CO -0.10 -2.63 -0.01 0.14 -1.11 0.00 0.00 175.55 171.85 2jkl s VAL 83 N -0.58 0.56 -0.05 0.71 -7.23 -0.72 -1.11 120.40 111.98 2jkl s VAL 83 Ca 0.55 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2jkl s VAL 83 Cb -0.43 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2jkl s VAL 83 CO 0.51 -0.60 -0.09 0.20 -0.31 0.00 0.00 175.10 174.81 2jkl s ASN 84 N -3.11 4.44 -0.18 4.85 0.01 0.48 -4.36 114.94 117.08 2jkl s ASN 84 Ca 0.20 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 52.22 2jkl s ASN 84 Cb 0.06 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.67 2jkl s ASN 84 CO 0.01 0.34 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.24 2jkl s ILE 85 N -0.83 3.35 -0.14 0.60 1.01 -1.26 -1.66 121.20 122.28 2jkl s ILE 85 Ca 0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2jkl s ILE 85 Cb -0.11 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.93 2jkl s ILE 85 CO 0.02 0.47 0.33 -0.60 0.00 0.00 0.00 174.94 175.16 2jkl s ARG 86 N 0.92 0.31 0.46 2.79 3.52 -0.63 -4.98 118.95 121.35 2jkl s ARG 86 Ca -0.01 0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 55.99 2jkl s ARG 86 Cb -0.15 -0.03 -0.07 0.00 -1.56 0.00 0.00 34.95 33.14 2jkl s ARG 86 CO 0.00 -0.14 1.20 -1.25 -0.81 0.00 0.00 175.30 174.30 2jkl s PRO 87 N 1.16 3.73 0.44 5.12 0.04 -1.26 -0.15 135.00 144.07 2jkl s PRO 87 Ca -0.08 1.86 0.24 0.00 0.04 0.00 0.00 61.00 63.05 2jkl s PRO 87 Cb -0.08 -2.44 0.85 0.00 0.04 0.00 0.00 34.50 32.87 2jkl s PRO 87 CO -0.09 -0.59 1.80 1.79 0.04 0.00 0.00 177.00 179.94 2jkl h THR 88 N 1.91 0.52 -3.37 1.26 1.35 -1.58 -3.45 112.91 109.55 2jkl h THR 88 Ca -0.49 -1.16 -0.10 0.00 -0.55 0.00 0.00 66.41 64.10 2jkl h THR 88 Cb 1.25 1.81 0.02 0.00 -1.73 0.00 0.00 68.15 69.51 2jkl h THR 88 CO 0.60 0.22 0.04 -0.90 -0.25 0.00 0.00 175.52 175.23 2jkl n ASP 89 N -3.35 0.21 -1.36 5.36 3.85 -1.26 -4.99 116.55 115.01 2jkl n ASP 89 Ca 0.00 -1.20 0.03 0.00 -0.71 0.00 0.00 54.79 52.91 2jkl n ASP 89 Cb 0.45 -0.16 0.24 0.00 -1.35 0.00 0.00 41.12 40.30 2jkl n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkl n ASN 90 N -3.04 3.86 -4.78 -1.12 3.02 -1.26 -4.97 115.26 106.97 2jkl n ASN 90 Ca 0.04 -2.58 -0.36 0.00 -0.03 0.00 0.00 54.58 51.64 2jkl n ASN 90 Cb 0.12 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 2jkl n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jkl s SER 91 N -0.46 6.38 -0.15 6.41 1.04 -1.26 -5.02 113.70 120.64 2jkl s SER 91 Ca 0.33 2.12 -0.15 0.00 0.48 0.00 0.00 55.95 58.74 2jkl s SER 91 Cb 0.25 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 2jkl s SER 91 CO 0.09 -0.76 0.34 0.00 0.98 0.00 0.00 173.24 173.89 2jkl s ALA 92 N -1.69 3.57 0.20 5.32 0.00 -1.26 -4.88 121.76 123.03 2jkl s ALA 92 Ca 0.63 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2jkl s ALA 92 Cb -0.23 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2jkl s ALA 92 CO 0.29 0.09 -0.03 -1.58 0.00 0.00 0.00 175.76 174.53 2jkl s TRP 93 N 0.44 1.43 0.06 0.00 0.52 -1.26 -1.11 118.94 119.02 2jkl s TRP 93 Ca 0.19 -0.90 0.05 0.00 0.02 0.00 0.00 56.10 55.46 2jkl s TRP 93 Cb -0.14 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 2jkl s TRP 93 CO 0.06 -0.04 -0.14 0.99 0.02 0.00 0.00 176.95 177.84 2jkl s THR 94 N -3.43 1.13 -0.16 2.01 2.01 0.13 -4.86 115.64 112.47 2jkl s THR 94 Ca 0.25 -1.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2jkl s THR 94 Cb 0.05 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2jkl s THR 94 CO 0.06 -0.13 -0.00 -0.89 -0.69 0.00 0.00 174.62 172.97 2jkl s THR 95 N -1.10 4.21 -0.29 -0.82 2.01 -1.26 -0.53 115.64 117.85 2jkl s THR 95 Ca -0.00 -0.25 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 2jkl s THR 95 Cb -0.09 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.68 2jkl s THR 95 CO 0.02 0.49 0.20 -0.62 -0.69 0.00 0.00 174.62 174.02 2jkl s ASP 96 N 0.26 2.74 -1.19 3.53 3.68 0.84 -4.97 116.67 121.55 2jkl s ASP 96 Ca -0.01 -1.11 -0.20 0.00 2.13 0.00 0.00 52.55 53.37 2jkl s ASP 96 Cb -0.13 0.01 0.00 0.00 -1.45 0.00 0.00 42.92 41.34 2jkl s ASP 96 CO 0.02 -0.41 0.72 -3.20 0.13 0.00 0.00 175.17 172.43 2jkl n ASN 97 N 5.22 -4.34 0.00 -0.34 5.15 -1.26 -1.73 115.26 117.95 2jkl n ASN 97 Ca -0.04 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 2jkl n ASN 97 Cb 0.44 -3.08 0.00 0.00 -0.53 0.00 0.00 39.78 36.61 2jkl n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkl n GLY 98 N -1.79 1.37 3.55 8.20 0.00 -1.26 -5.01 105.19 110.26 2jkl n GLY 98 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2jkl n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkl s VAL 99 N -2.94 3.99 -0.34 1.61 1.01 -0.71 -1.22 120.40 121.80 2jkl s VAL 99 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2jkl s VAL 99 Cb 0.00 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.73 2jkl s VAL 99 CO 0.00 0.53 0.08 0.12 0.00 0.00 0.00 175.10 175.83 2jkl s PHE 100 N -0.04 3.41 0.17 5.22 5.36 0.19 -0.11 117.98 132.17 2jkl s PHE 100 Ca 0.02 -2.09 0.11 0.00 -0.96 0.00 0.00 56.93 54.01 2jkl s PHE 100 Cb -0.13 -2.57 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 2jkl s PHE 100 CO 0.02 -0.87 -0.23 1.52 -1.46 0.00 0.00 175.22 174.21 2jkl s TYR 101 N 1.21 2.36 0.19 10.12 1.13 0.31 -1.10 117.35 131.57 2jkl s TYR 101 Ca 0.01 -0.34 -0.30 0.00 -1.41 0.00 0.00 57.07 55.03 2jkl s TYR 101 Cb -0.21 -1.20 -0.08 0.00 -1.10 0.00 0.00 41.96 39.37 2jkl s TYR 101 CO -0.02 0.45 0.96 0.21 -2.51 0.00 0.00 175.55 174.64 2jkl s LYS 102 N -2.49 4.78 0.49 -3.49 2.20 -0.14 0.22 119.74 121.30 2jkl s LYS 102 Ca 0.19 1.50 0.26 0.00 -0.36 0.00 0.00 55.97 57.55 2jkl s LYS 102 Cb -0.09 -3.31 1.23 0.00 -1.51 0.00 0.00 37.83 34.15 2jkl s LYS 102 CO 0.09 0.38 1.97 -0.91 -0.36 0.00 0.00 175.35 176.53 2jkl h ASN 103 N 4.71 0.00 -2.81 1.43 4.21 -1.45 -3.43 115.58 118.25 2jkl h ASN 103 Ca -0.44 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.46 2jkl h ASN 103 Cb 1.20 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.28 2jkl h ASN 103 CO 0.70 0.17 -0.70 -0.62 -1.29 0.00 0.00 177.43 175.69 2jkl s ASP 104 N -6.20 4.39 0.78 5.81 3.68 -1.26 -5.07 116.67 118.80 2jkl s ASP 104 Ca -0.02 -0.57 -0.12 0.00 2.13 0.00 0.00 52.55 53.98 2jkl s ASP 104 Cb 0.12 -0.79 0.06 0.00 -1.45 0.00 0.00 42.92 40.86 2jkl s ASP 104 CO 0.61 0.08 1.12 0.68 0.13 0.00 0.00 175.17 177.79 2jkl s VAL 105 N -1.85 2.89 0.00 1.11 -7.23 -1.26 -4.47 120.40 109.59 2jkl s VAL 105 Ca 0.27 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 2jkl s VAL 105 Cb -0.08 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2jkl s VAL 105 CO 0.17 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2jkl n GLY 106 N -2.66 4.18 3.34 2.32 0.00 -0.54 -4.92 105.19 106.91 2jkl n GLY 106 Ca 0.07 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2jkl n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkl n SER 107 N 0.00 4.75 -4.77 1.61 7.64 -1.19 -4.47 113.62 117.20 2jkl n SER 107 Ca 0.00 -2.92 -0.39 0.00 1.01 0.00 0.00 58.87 56.57 2jkl n SER 107 Cb 0.00 -1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 61.48 2jkl n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkl s TRP 108 N 3.48 3.20 -0.05 1.43 -0.00 -1.26 -4.69 118.94 121.06 2jkl s TRP 108 Ca 0.50 1.57 0.04 0.00 -0.00 0.00 0.00 56.10 58.21 2jkl s TRP 108 Cb 0.06 -3.41 -0.00 0.00 -0.00 0.00 0.00 33.47 30.11 2jkl s TRP 108 CO 0.03 -1.20 -0.17 0.20 -0.00 0.00 0.00 176.95 175.81 2jkl s GLY 109 N -0.96 0.92 0.00 5.86 0.00 -1.26 -1.52 107.32 110.36 2jkl s GLY 109 Ca 0.52 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2jkl s GLY 109 CO 0.42 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.80 2jkl n GLY 110 N 3.19 -1.27 3.37 0.20 0.00 0.02 -5.01 105.19 105.69 2jkl n GLY 110 Ca -0.18 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 2jkl n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkl s ILE 111 N -2.45 2.81 -0.24 -0.61 -1.09 -1.26 -0.87 121.20 117.49 2jkl s ILE 111 Ca 0.00 -0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 57.59 2jkl s ILE 111 Cb 0.00 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.74 2jkl s ILE 111 CO 0.00 0.55 0.01 -0.63 -1.23 0.00 0.00 174.94 173.65 2jkl s ILE 112 N -0.01 3.75 0.09 2.92 -1.09 0.58 -1.32 121.20 126.11 2jkl s ILE 112 Ca -0.05 -0.44 -0.17 0.00 -2.23 0.00 0.00 60.65 57.76 2jkl s ILE 112 Cb -0.14 -2.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.90 2jkl s ILE 112 CO 0.04 0.33 0.54 -0.83 -1.23 0.00 0.00 174.94 173.79 2jkl s GLY 113 N 1.52 2.56 -0.24 6.18 0.00 0.78 -0.28 107.32 117.85 2jkl s GLY 113 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 2jkl s GLY 113 CO -0.00 0.29 -0.04 -0.42 0.00 0.00 0.00 173.10 172.93 2jkl s ILE 114 N -1.24 3.23 0.11 0.90 -1.09 -0.97 -1.60 121.20 120.54 2jkl s ILE 114 Ca 0.32 -0.72 0.09 0.00 -2.23 0.00 0.00 60.65 58.11 2jkl s ILE 114 Cb -0.17 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 2jkl s ILE 114 CO 0.18 0.31 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.67 2jkl s TYR 115 N 1.42 1.86 0.17 3.97 2.02 -0.66 -0.36 117.35 125.77 2jkl s TYR 115 Ca 0.03 -0.42 -0.32 0.00 -0.37 0.00 0.00 57.07 56.00 2jkl s TYR 115 Cb -0.15 -1.01 -0.10 0.00 -0.40 0.00 0.00 41.96 40.29 2jkl s TYR 115 CO -0.03 0.23 1.59 0.08 -1.57 0.00 0.00 175.55 175.85 2jkl s VAL 116 N -1.21 2.53 -0.67 0.71 1.01 0.15 -0.39 120.40 122.53 2jkl s VAL 116 Ca 0.08 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 2jkl s VAL 116 Cb -0.10 -3.24 0.17 0.00 0.00 0.00 0.00 36.38 33.21 2jkl s VAL 116 CO 0.05 0.03 0.57 -0.62 0.00 0.00 0.00 175.10 175.13 2jkl s ASP 117 N 1.15 6.14 0.00 3.32 2.15 -0.27 -0.15 116.67 129.00 2jkl s ASP 117 Ca 0.71 -2.43 0.00 0.00 0.43 0.00 0.00 52.55 51.26 2jkl s ASP 117 Cb -0.45 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jkl s ASP 117 CO 0.31 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2jkl n GLY 118 N 4.26 0.30 3.66 2.66 0.00 -1.26 -4.72 105.19 110.09 2jkl n GLY 118 Ca 0.04 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2jkl n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jkl n GLN 119 N 0.57 2.81 -2.63 1.61 1.13 -1.26 -4.17 117.38 115.44 2jkl n GLN 119 Ca 0.00 1.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.99 2jkl n GLN 119 Cb 0.00 -3.01 0.03 0.00 0.11 0.00 0.00 30.24 27.37 2jkl n GLN 119 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jkl n GLN 120 N 7.57 1.92 0.00 -1.09 6.02 -0.69 -4.88 117.38 126.23 2jkl n GLN 120 Ca 0.21 -3.60 0.08 0.00 -0.01 0.00 0.00 57.00 53.68 2jkl n GLN 120 Cb 0.41 -1.62 0.49 0.00 1.02 0.00 0.00 30.24 30.54 2jkl n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkl n THR 121 N -0.39 0.00 0.02 5.09 -2.24 -1.24 -2.03 114.28 113.50 2jkl n THR 121 Ca 0.16 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.04 2jkl n THR 121 Cb 0.81 -0.63 0.21 0.00 -2.10 0.00 0.00 70.33 68.63 2jkl n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkl n ASN 122 N -0.93 3.34 -4.69 3.42 3.02 -1.26 -4.40 115.26 113.75 2jkl n ASN 122 Ca 0.12 -1.95 -0.44 0.00 -0.03 0.00 0.00 54.58 52.28 2jkl n ASN 122 Cb 0.06 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 2jkl n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jkl n THR 123 N 1.23 0.07 -2.07 3.41 -1.04 -0.86 -4.92 114.28 110.10 2jkl n THR 123 Ca 0.18 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.77 2jkl n THR 123 Cb 0.54 -1.70 -0.01 0.00 -1.82 0.00 0.00 70.33 67.33 2jkl n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkl s PRO 124 N 0.90 4.09 0.49 -2.82 0.02 -1.26 -4.83 135.00 131.58 2jkl s PRO 124 Ca 0.77 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 63.72 2jkl s PRO 124 Cb -0.61 -2.85 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 2jkl s PRO 124 CO 0.37 -0.40 1.38 -2.14 -0.33 0.00 0.00 177.00 175.88 2jkl s PRO 125 N -2.11 3.48 0.00 5.54 0.02 -1.26 -4.86 135.00 135.81 2jkl s PRO 125 Ca 0.54 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2jkl s PRO 125 Cb -0.38 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.65 2jkl s PRO 125 CO 0.50 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2jkl n GLY 126 N 0.64 -2.15 3.57 0.52 0.00 -0.58 -4.97 105.19 102.23 2jkl n GLY 126 Ca 0.07 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 2jkl n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkl s ASN 127 N -1.42 5.60 0.01 1.61 0.01 -1.26 -0.64 114.94 118.86 2jkl s ASN 127 Ca 0.00 -0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.20 2jkl s ASN 127 Cb 0.00 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 2jkl s ASN 127 CO 0.00 0.06 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.17 2jkl s TYR 128 N 1.05 2.58 0.01 2.20 2.02 0.91 -1.39 117.35 124.74 2jkl s TYR 128 Ca 0.05 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 2jkl s TYR 128 Cb -0.14 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2jkl s TYR 128 CO 0.04 0.22 -0.03 0.99 -1.57 0.00 0.00 175.55 175.19 2jkl s THR 129 N -0.86 0.21 -0.11 -0.71 2.01 -0.59 -0.84 115.64 114.76 2jkl s THR 129 Ca 0.14 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 2jkl s THR 129 Cb -0.10 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.17 2jkl s THR 129 CO 0.04 -0.20 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.48 2jkl s LEU 130 N -0.77 1.13 -0.16 4.42 2.96 0.13 -1.35 118.68 125.04 2jkl s LEU 130 Ca -0.06 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2jkl s LEU 130 Cb -0.05 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2jkl s LEU 130 CO -0.00 -0.12 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.97 2jkl s THR 131 N 1.69 3.73 -0.09 3.68 2.01 -1.26 -0.46 115.64 124.93 2jkl s THR 131 Ca 0.04 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2jkl s THR 131 Cb -0.13 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.76 2jkl s THR 131 CO -0.07 0.48 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.44 2jkl s LEU 132 N 0.54 1.68 -0.11 4.42 1.43 -0.44 -1.76 118.68 124.44 2jkl s LEU 132 Ca -0.04 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2jkl s LEU 132 Cb -0.14 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2jkl s LEU 132 CO 0.03 0.02 0.00 -0.89 0.23 0.00 0.00 176.35 175.74 2jkl s THR 133 N 0.88 4.28 0.36 5.49 2.01 0.22 -1.07 115.64 127.81 2jkl s THR 133 Ca -0.09 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 2jkl s THR 133 Cb -0.15 -2.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 2jkl s THR 133 CO 0.01 0.56 0.94 -0.83 -0.69 0.00 0.00 174.62 174.61 2jkl s GLY 134 N -0.47 2.63 0.00 4.40 0.00 -0.35 -0.60 107.32 112.93 2jkl s GLY 134 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.26 2jkl s GLY 134 CO 0.02 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.56 2jkl n GLY 135 N 0.09 -0.62 3.09 0.20 0.00 -0.28 -1.50 105.19 106.17 2jkl n GLY 135 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 2jkl n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkl s TYR 136 N -3.22 0.44 -0.04 1.61 1.13 -0.69 -0.50 117.35 116.08 2jkl s TYR 136 Ca 0.00 -0.94 -0.05 0.00 -1.41 0.00 0.00 57.07 54.68 2jkl s TYR 136 Cb 0.00 -0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.49 2jkl s TYR 136 CO 0.00 -0.37 0.18 -0.46 -2.51 0.00 0.00 175.55 172.39 2jkl s TRP 137 N -3.54 3.57 0.00 -3.49 -0.11 -0.22 -0.74 118.94 114.42 2jkl s TRP 137 Ca 0.03 0.45 0.00 0.00 1.22 0.00 0.00 56.10 57.80 2jkl s TRP 137 Cb 0.05 -1.89 0.00 0.00 -1.50 0.00 0.00 33.47 30.13 2jkl s TRP 137 CO -0.09 0.67 0.00 0.00 -4.62 0.00 0.00 176.95 172.92