#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 2.52 -0.14 1.61 1.04 -0.84 -4.93 113.70 112.96 2jkl s SER 1 Ca 0.00 -0.97 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 2jkl s SER 1 Cb 0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 2jkl s SER 1 CO 0.00 -0.15 -0.01 0.12 0.98 0.00 0.00 173.24 174.18 2jkl s PHE 2 N -2.74 3.10 -0.29 5.02 2.19 -1.26 -1.90 117.98 122.10 2jkl s PHE 2 Ca 0.20 -0.09 -0.05 0.00 0.33 0.00 0.00 56.93 57.32 2jkl s PHE 2 Cb -0.02 -1.93 0.02 0.00 -1.31 0.00 0.00 43.02 39.78 2jkl s PHE 2 CO 0.06 0.14 0.04 0.99 1.83 0.00 0.00 175.22 178.28 2jkl s THR 3 N 0.02 3.58 0.11 0.12 2.01 0.10 -4.98 115.64 116.60 2jkl s THR 3 Ca 0.02 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 2jkl s THR 3 Cb -0.13 -2.88 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 2jkl s THR 3 CO 0.02 0.06 1.62 -2.84 -0.69 0.00 0.00 174.62 172.79 2jkl s PRO 4 N 1.42 4.20 -0.40 4.92 0.02 -1.26 -1.69 135.00 142.21 2jkl s PRO 4 Ca 0.01 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2jkl s PRO 4 Cb -0.18 -3.41 0.19 0.00 0.02 0.00 0.00 34.50 31.13 2jkl s PRO 4 CO 0.00 -0.68 0.85 0.45 -0.33 0.00 0.00 177.00 177.29 2jkl s SER 5 N 1.88 -0.95 0.00 2.53 0.15 -0.50 -4.94 113.70 111.87 2jkl s SER 5 Ca 0.73 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2jkl s SER 5 Cb -0.42 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2jkl s SER 5 CO 0.32 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2jkl n GLY 6 N 3.55 -0.88 4.03 9.45 0.00 -1.14 -3.49 105.19 116.71 2jkl n GLY 6 Ca 0.11 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.87 2.23 -0.10 2.61 -4.23 -1.26 -4.63 115.64 107.39 2jkl s THR 7 Ca 0.00 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 2jkl s THR 7 Cb 0.00 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 2jkl s THR 7 CO 0.00 0.00 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.02 2jkl s THR 8 N -2.65 2.73 -0.13 3.99 2.01 -1.26 -1.57 115.64 118.75 2jkl s THR 8 Ca 0.61 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 2jkl s THR 8 Cb -0.06 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 2jkl s THR 8 CO 0.39 0.55 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.99 2jkl s GLY 9 N 0.08 1.72 -0.18 4.40 0.00 -0.15 -4.98 107.32 108.21 2jkl s GLY 9 Ca -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 2jkl s GLY 9 CO 0.05 -0.23 -0.14 -1.59 0.00 0.00 0.00 173.10 171.20 2jkl s THR 10 N 0.04 2.64 -0.28 0.90 2.01 -1.26 -1.21 115.64 118.49 2jkl s THR 10 Ca -0.00 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 2jkl s THR 10 Cb -0.13 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2jkl s THR 10 CO 0.03 0.50 0.21 -0.89 -0.69 0.00 0.00 174.62 173.77 2jkl s THR 11 N 1.15 5.30 0.03 -0.82 2.01 0.38 -4.96 115.64 118.73 2jkl s THR 11 Ca 0.01 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.30 2jkl s THR 11 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2jkl s THR 11 CO -0.05 0.24 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.34 2jkl s LYS 12 N 1.78 1.95 -0.14 4.92 1.02 -1.26 -0.92 119.74 127.09 2jkl s LYS 12 Ca 0.08 -1.03 -0.07 0.00 0.02 0.00 0.00 55.97 54.97 2jkl s LYS 12 Cb -0.16 -2.06 0.06 0.00 -0.52 0.00 0.00 37.83 35.15 2jkl s LYS 12 CO 0.11 0.53 0.33 -1.17 -0.92 0.00 0.00 175.35 174.23 2jkl s LEU 13 N -1.16 0.04 -0.25 3.17 2.96 -0.23 -4.62 118.68 118.60 2jkl s LEU 13 Ca 0.12 0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 2jkl s LEU 13 Cb -0.10 1.02 -0.05 0.00 0.50 0.00 0.00 46.19 47.56 2jkl s LEU 13 CO 0.02 -0.19 0.15 -0.89 -1.32 0.00 0.00 176.35 174.12 2jkl s THR 14 N 1.57 5.18 -0.14 3.68 2.01 -0.44 -0.29 115.64 127.21 2jkl s THR 14 Ca -0.08 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 2jkl s THR 14 Cb -0.10 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2jkl s THR 14 CO -0.11 0.32 0.21 -0.69 -0.69 0.00 0.00 174.62 173.67 2jkl s VAL 15 N 1.28 5.36 0.26 3.82 1.01 0.35 -0.99 120.40 131.48 2jkl s VAL 15 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2jkl s VAL 15 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2jkl s VAL 15 CO 0.06 0.49 0.10 0.35 0.00 0.00 0.00 175.10 176.09 2jkl n THR 16 N 2.95 0.00 -2.97 3.92 -2.24 0.08 -1.43 114.28 114.59 2jkl n THR 16 Ca -0.15 -1.51 -0.07 0.00 -2.27 0.00 0.00 64.05 60.05 2jkl n THR 16 Cb 0.53 0.56 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2jkl n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jkl n GLU 17 N -0.57 0.83 -0.17 -0.78 1.02 -1.26 -0.64 120.64 119.08 2jkl n GLU 17 Ca -0.03 -1.06 -0.05 0.00 -0.02 0.00 0.00 57.16 55.99 2jkl n GLU 17 Cb 0.39 -0.09 0.04 0.00 -0.02 0.00 0.00 31.44 31.76 2jkl n GLU 17 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jkl h LYS 18 N 0.00 0.54 -6.20 3.49 1.57 -1.98 -3.32 116.57 110.67 2jkl h LYS 18 Ca -0.09 -0.03 -0.58 0.00 -1.87 0.00 0.00 60.65 58.07 2jkl h LYS 18 Cb 0.43 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.52 2jkl h LYS 18 CO 0.13 0.36 0.76 0.00 -0.57 0.00 0.00 179.45 180.13 2jkl s GLN 20 N 4.41 3.21 -0.36 0.00 0.74 -1.25 -5.06 119.66 121.35 2jkl s GLN 20 Ca 0.36 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 55.02 2jkl s GLN 20 Cb -0.10 -2.59 0.10 0.00 1.10 0.00 0.00 33.01 31.52 2jkl s GLN 20 CO 0.22 0.05 0.11 0.08 -0.55 0.00 0.00 175.29 175.20 2jkl s VAL 21 N 0.72 2.81 -0.26 1.34 1.01 -1.26 -5.08 120.40 119.67 2jkl s VAL 21 Ca -0.07 -2.08 -0.25 0.00 0.00 0.00 0.00 61.98 59.58 2jkl s VAL 21 Cb -0.16 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 2jkl s VAL 21 CO 0.01 -0.56 0.84 -0.13 0.00 0.00 0.00 175.10 175.27 2jkl s ARG 22 N 1.06 4.12 -0.15 2.72 0.52 -1.26 -5.03 118.95 120.93 2jkl s ARG 22 Ca 0.07 0.87 -0.01 0.00 -0.52 0.00 0.00 55.73 56.14 2jkl s ARG 22 Cb -0.21 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.57 2jkl s ARG 22 CO -0.05 -0.59 -0.11 0.08 0.02 0.00 0.00 175.30 174.65 2jkl s VAL 23 N 2.94 3.19 0.00 3.52 1.01 -1.26 -5.03 120.40 124.78 2jkl s VAL 23 Ca 0.35 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2jkl s VAL 23 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2jkl s VAL 23 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2jkl n GLY 24 N 3.70 -1.23 3.71 4.51 0.00 -1.26 -4.92 105.19 109.70 2jkl n GLY 24 Ca -0.18 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.10 1.55 -4.76 1.61 10.43 -1.26 -4.93 116.55 119.10 2jkl n ASP 25 Ca 0.00 0.71 -0.41 0.00 2.57 0.00 0.00 54.79 57.65 2jkl n ASP 25 Cb 0.00 -1.53 -0.01 0.00 1.84 0.00 0.00 41.12 41.42 2jkl n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2jkl n LEU 26 N -2.61 4.57 -4.14 0.64 7.94 -1.26 -5.02 117.00 117.12 2jkl n LEU 26 Ca 0.15 1.19 -0.11 0.00 -1.11 0.00 0.00 56.01 56.12 2jkl n LEU 26 Cb 0.49 -1.61 -0.09 0.00 0.53 0.00 0.00 43.42 42.74 2jkl n LEU 26 CO 0.48 0.16 -0.16 0.42 -1.11 0.00 0.00 177.39 177.18 2jkl s THR 27 N -0.52 0.02 -0.25 1.96 -4.23 -1.26 -5.11 115.64 106.24 2jkl s THR 27 Ca 0.59 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 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 0.56 -0.09 1.32 -0.69 -0.54 0.00 0.00 174.62 175.17 2jkl s VAL 28 N -4.10 4.14 0.01 2.29 1.01 -1.26 -4.99 120.40 117.49 2jkl s VAL 28 Ca 0.32 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.63 2jkl s VAL 28 Cb 0.05 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2jkl s VAL 28 CO 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 175.10 174.81 2jkl s ALA 29 N 4.19 0.18 0.02 5.51 0.00 -1.26 -1.32 121.76 129.07 2jkl s ALA 29 Ca 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 2jkl s ALA 29 Cb -0.19 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2jkl s ALA 29 CO 0.21 -0.01 0.03 0.15 0.00 0.00 0.00 175.76 176.14 2jkl s LYS 30 N -0.48 0.43 0.50 0.00 1.02 -0.16 -4.94 119.74 116.10 2jkl s LYS 30 Ca -0.04 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 2jkl s LYS 30 Cb -0.03 0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 37.36 2jkl s LYS 30 CO -0.00 -0.09 0.95 0.95 -0.92 0.00 0.00 175.35 176.24 2jkl s THR 31 N -1.91 4.58 0.55 2.17 -4.23 -1.26 -0.75 115.64 114.79 2jkl s THR 31 Ca -0.11 1.11 0.30 0.00 -1.18 0.00 0.00 61.69 61.80 2jkl s THR 31 Cb -0.06 -3.72 0.34 0.00 1.34 0.00 0.00 72.50 70.40 2jkl s THR 31 CO -0.02 -0.67 2.21 0.08 -0.54 0.00 0.00 174.62 175.69 2jkl h ARG 32 N 0.96 0.00 0.00 3.99 0.11 -1.17 -0.70 114.38 117.57 2jkl h ARG 32 Ca -0.47 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 2jkl h ARG 32 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2jkl h ARG 32 CO 0.62 0.03 -0.01 0.78 0.10 0.00 0.00 179.97 181.49 2jkl h GLY 33 N 0.23 0.00 1.28 0.08 0.00 -1.84 -1.96 103.07 100.86 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 0.00 0.00 -0.22 -1.06 0.00 0.00 0.00 176.54 175.26 2jkl n GLN 34 N -3.13 0.21 -1.30 4.80 6.02 -0.27 -4.40 117.38 119.32 2jkl n GLN 34 Ca -0.01 -0.08 -0.32 0.00 -0.01 0.00 0.00 57.00 56.58 2jkl n GLN 34 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.32 7.78 -4.90 1.08 4.77 -0.73 -4.84 117.00 118.83 2jkl n LEU 35 Ca 0.09 -4.11 -0.28 0.00 -0.03 0.00 0.00 56.01 51.67 2jkl n LEU 35 Cb 0.32 -1.50 0.03 0.00 -2.33 0.00 0.00 43.42 39.94 2jkl n LEU 35 CO 0.29 1.97 0.60 0.42 -1.33 0.00 0.00 177.39 179.34 2jkl s THR 36 N 1.47 3.96 0.19 -5.08 -4.23 -1.26 -1.88 115.64 108.81 2jkl s THR 36 Ca 0.68 0.27 -0.33 0.00 -1.18 0.00 0.00 61.69 61.12 2jkl s THR 36 Cb 0.22 -3.58 -0.13 0.00 1.34 0.00 0.00 72.50 70.35 2jkl s THR 36 CO -0.05 -0.66 1.62 -0.67 -0.54 0.00 0.00 174.62 174.32 2jkl n ASP 37 N -2.65 3.43 0.00 3.99 2.03 -1.26 -1.88 116.55 120.21 2jkl n ASP 37 Ca 0.05 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2jkl n ASP 37 Cb 0.57 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 3.43 0.00 -1.82 -1.67 0.00 0.45 -4.93 120.51 115.96 2jkl n ALA 38 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 2jkl n ALA 38 Cb 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.95 3.67 0.26 0.00 0.00 -0.78 -4.58 121.76 117.37 2jkl s ALA 39 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 2jkl s ALA 39 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2jkl s ALA 39 CO 0.00 -0.85 1.05 -1.25 0.00 0.00 0.00 175.76 174.71 2jkl s PRO 40 N -0.53 4.71 -0.24 0.00 0.04 -1.26 -0.43 135.00 137.29 2jkl s PRO 40 Ca 0.60 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 2jkl s PRO 40 Cb -0.44 -3.22 -0.13 0.00 0.04 0.00 0.00 34.50 30.74 2jkl s PRO 40 CO 0.46 0.31 -0.24 -0.89 0.04 0.00 0.00 177.00 176.68 2jkl n ILE 41 N 1.32 1.33 0.00 0.56 5.41 0.21 -4.91 119.36 123.29 2jkl n ILE 41 Ca -0.01 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2jkl n ILE 41 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.89 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 2.07 2.46 3.92 7.39 0.00 -1.22 -5.03 105.19 114.78 2jkl n GLY 42 Ca -0.43 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 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 3.55 -0.14 1.61 0.04 -1.26 -2.14 135.00 134.66 2jkl s PRO 43 Ca 0.00 -0.08 -0.01 0.00 0.04 0.00 0.00 61.00 60.96 2jkl s PRO 43 Cb 0.00 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 32.00 2jkl s PRO 43 CO 0.00 0.07 -0.04 0.08 0.04 0.00 0.00 177.00 177.15 2jkl s VAL 44 N -2.36 0.90 0.41 -0.36 1.01 0.45 -4.96 120.40 115.50 2jkl s VAL 44 Ca 0.43 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 2jkl s VAL 44 Cb -0.10 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 35.12 2jkl s VAL 44 CO 0.36 0.19 1.00 0.42 0.00 0.00 0.00 175.10 177.07 2jkl s THR 45 N 1.74 4.02 -0.04 3.92 -4.23 -1.26 -0.38 115.64 119.40 2jkl s THR 45 Ca 0.03 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 2jkl s THR 45 Cb -0.14 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.06 2jkl s THR 45 CO -0.07 -0.12 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.19 2jkl s VAL 46 N -1.87 0.25 -0.20 2.29 1.01 0.22 -4.92 120.40 117.18 2jkl s VAL 46 Ca 0.60 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 2jkl s VAL 46 Cb -0.16 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 35.92 2jkl s VAL 46 CO 0.21 0.18 0.05 -1.10 0.00 0.00 0.00 175.10 174.44 2jkl s GLN 47 N 1.24 0.52 -0.04 2.72 -1.52 -1.26 -0.81 119.66 120.51 2jkl s GLN 47 Ca -0.07 -0.39 -0.04 0.00 -1.95 0.00 0.00 55.36 52.91 2jkl s GLN 47 Cb -0.13 -2.01 -0.04 0.00 -0.22 0.00 0.00 33.01 30.60 2jkl s GLN 47 CO -0.02 -0.68 0.17 0.00 -0.25 0.00 0.00 175.29 174.51 2jkl s ALA 48 N 1.91 3.93 0.00 6.09 0.00 -0.59 -5.02 121.76 128.09 2jkl s ALA 48 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2jkl s ALA 48 Cb -0.17 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 2jkl s ALA 48 CO -0.10 0.72 -0.04 -0.51 0.00 0.00 0.00 175.76 175.82 2jkl s LEU 49 N -1.70 2.04 -1.04 0.00 1.02 -1.26 -4.54 118.68 113.19 2jkl s LEU 49 Ca 0.24 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.26 2jkl s LEU 49 Cb -0.12 -0.18 0.00 0.00 0.02 0.00 0.00 46.19 45.91 2jkl s LEU 49 CO 0.15 0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.14 2jkl n GLY 50 N 2.78 0.49 1.44 -3.19 0.00 -1.26 -4.94 105.19 100.51 2jkl n GLY 50 Ca -0.14 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 1.33 0.00 -0.04 0.00 3.04 -1.92 -2.20 116.42 116.62 2jkl h ASP 52 Ca 0.29 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.07 2jkl h ASP 52 Cb 1.54 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.83 2jkl h ASP 52 CO 0.58 0.00 -0.06 0.00 -2.04 0.00 0.00 179.24 177.72 2jkl n ALA 53 N -2.54 2.56 -2.27 4.15 0.00 -1.26 -3.56 120.51 117.60 2jkl n ALA 53 Ca 0.04 -2.68 -0.14 0.00 0.00 0.00 0.00 53.44 50.66 2jkl n ALA 53 Cb 0.41 -0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.93 1.06 -0.38 0.00 1.81 -0.99 -4.93 118.95 112.59 2jkl s ARG 54 Ca 0.34 -1.44 -0.17 0.00 -1.72 0.00 0.00 55.73 52.74 2jkl s ARG 54 Cb 0.30 -0.65 0.01 0.00 -0.45 0.00 0.00 34.95 34.16 2jkl s ARG 54 CO 0.02 0.08 0.42 -0.65 -0.68 0.00 0.00 175.30 174.50 2jkl s GLN 55 N -3.69 3.35 0.41 3.54 -0.21 -1.26 -1.88 119.66 119.92 2jkl s GLN 55 Ca 0.16 -0.54 -0.25 0.00 0.02 0.00 0.00 55.36 54.75 2jkl s GLN 55 Cb 0.02 -3.88 -0.10 0.00 1.00 0.00 0.00 33.01 30.04 2jkl s GLN 55 CO 0.01 -0.71 1.18 0.28 -2.12 0.00 0.00 175.29 173.94 2jkl n VAL 56 N 5.37 2.46 -3.71 1.09 0.31 -1.26 -0.94 118.33 121.66 2jkl n VAL 56 Ca -0.07 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.64 2jkl n VAL 56 Cb 0.48 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 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 -1.20 -0.79 -0.06 3.52 0.00 0.10 -1.33 121.76 122.00 2jkl s ALA 57 Ca 0.61 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.61 2jkl s ALA 57 Cb -0.54 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2jkl s ALA 57 CO 0.58 -0.50 -0.15 -0.51 0.00 0.00 0.00 175.76 175.19 2jkl s LEU 58 N -2.33 1.80 -0.12 0.00 2.01 -0.28 -1.18 118.68 118.58 2jkl s LEU 58 Ca -0.02 -0.33 0.01 0.00 0.01 0.00 0.00 54.13 53.80 2jkl s LEU 58 Cb 0.01 -0.91 -0.01 0.00 0.01 0.00 0.00 46.19 45.29 2jkl s LEU 58 CO -0.06 0.09 -0.16 -0.75 1.01 0.00 0.00 176.35 176.48 2jkl s LYS 59 N 0.36 3.26 0.37 1.70 2.20 0.38 -0.52 119.74 127.49 2jkl s LYS 59 Ca -0.10 -0.74 -0.19 0.00 -0.36 0.00 0.00 55.97 54.58 2jkl s LYS 59 Cb -0.14 -2.52 -0.10 0.00 -1.51 0.00 0.00 37.83 33.56 2jkl s LYS 59 CO 0.03 0.22 0.85 0.00 -0.36 0.00 0.00 175.35 176.09 2jkl s ALA 60 N 0.31 3.18 0.69 3.13 0.00 -0.25 -0.70 121.76 128.13 2jkl s ALA 60 Ca -0.13 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 2jkl s ALA 60 Cb -0.16 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2jkl s ALA 60 CO 0.07 0.23 1.15 -0.25 0.00 0.00 0.00 175.76 176.95 2jkl n ASP 61 N -0.40 1.32 -0.26 0.00 9.92 -0.73 -4.86 116.55 121.55 2jkl n ASP 61 Ca 0.05 0.75 0.18 0.00 -0.53 0.00 0.00 54.79 55.23 2jkl n ASP 61 Cb 0.53 -1.49 0.48 0.00 -0.64 0.00 0.00 41.12 40.00 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 0.09 0.69 0.00 -3.53 2.02 -1.93 0.63 112.91 110.88 2jkl h THR 62 Ca -0.49 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2jkl h THR 62 Cb 1.34 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2jkl h THR 62 CO 0.50 0.09 0.00 0.47 0.37 0.00 0.00 175.52 176.95 2jkl n ASP 63 N -4.55 0.00 -0.66 4.18 8.00 -1.26 -3.58 116.55 118.67 2jkl n ASP 63 Ca 0.20 -0.94 0.06 0.00 0.71 0.00 0.00 54.79 54.82 2jkl n ASP 63 Cb 0.67 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.92 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 -1.00 2.90 -3.68 -2.24 5.03 0.21 -4.74 115.26 111.75 2jkl n ASN 64 Ca 0.22 -1.96 -0.10 0.00 0.87 0.00 0.00 54.58 53.61 2jkl n ASN 64 Cb 0.10 -0.23 -0.05 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.00 -0.14 -0.36 3.10 -0.12 -1.24 -1.36 117.98 116.87 2jkl s PHE 65 Ca 0.24 -0.20 0.05 0.00 -0.05 0.00 0.00 56.93 56.97 2jkl s PHE 65 Cb 0.13 0.23 0.22 0.00 -0.63 0.00 0.00 43.02 42.97 2jkl s PHE 65 CO 0.17 -0.71 1.20 -1.91 -0.05 0.00 0.00 175.22 173.92 2jkl n GLU 66 N -0.22 0.68 0.00 1.99 2.13 -1.26 -4.98 120.64 118.97 2jkl n GLU 66 Ca -0.15 -1.25 0.00 0.00 0.66 0.00 0.00 57.16 56.42 2jkl n GLU 66 Cb 0.63 -0.03 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 -0.54 0.00 3.59 8.31 0.00 -1.26 -4.69 105.19 110.60 2jkl n GLY 68 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.12 2.50 0.11 1.61 1.02 -1.26 -4.98 119.74 118.62 2jkl s LYS 69 Ca 0.00 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.28 2jkl s LYS 69 Cb 0.00 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2jkl s LYS 69 CO 0.00 0.59 0.03 -0.06 -0.92 0.00 0.00 175.35 174.99 2jkl s PHE 70 N -1.02 3.02 -0.13 3.18 0.40 -1.26 -4.35 117.98 117.82 2jkl s PHE 70 Ca 0.18 -0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.19 2jkl s PHE 70 Cb -0.11 -1.52 0.08 0.00 0.51 0.00 0.00 43.02 41.98 2jkl s PHE 70 CO 0.08 0.50 0.75 -0.59 0.70 0.00 0.00 175.22 176.66 2jkl s PHE 71 N -1.44 -0.64 0.52 0.36 -0.12 -0.46 -1.72 117.98 114.47 2jkl s PHE 71 Ca 0.27 1.27 -0.18 0.00 -0.05 0.00 0.00 56.93 58.24 2jkl s PHE 71 Cb -0.11 0.38 -0.07 0.00 -0.63 0.00 0.00 43.02 42.58 2jkl s PHE 71 CO 0.20 -0.49 1.02 -0.51 -0.05 0.00 0.00 175.22 175.39 2jkl s LEU 72 N -0.69 3.70 -0.02 -1.99 1.02 0.26 -4.53 118.68 116.44 2jkl s LEU 72 Ca -0.06 1.80 0.05 0.00 0.02 0.00 0.00 54.13 55.94 2jkl s LEU 72 Cb -0.02 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.64 2jkl s LEU 72 CO 0.06 -0.82 -0.18 -0.51 0.02 0.00 0.00 176.35 174.92 2jkl s ILE 73 N -2.28 1.39 0.93 -0.59 1.10 -0.20 -1.45 121.20 120.11 2jkl s ILE 73 Ca 0.64 -0.75 -0.11 0.00 -0.51 0.00 0.00 60.65 59.92 2jkl s ILE 73 Cb -0.14 -1.16 0.15 0.00 0.15 0.00 0.00 42.46 41.46 2jkl s ILE 73 CO 0.27 0.40 1.11 -0.94 -2.11 0.00 0.00 174.94 173.66 2jkl s SER 74 N -0.39 2.94 0.39 4.50 1.04 -0.31 -1.57 113.70 120.30 2jkl s SER 74 Ca 0.06 1.89 0.10 0.00 0.48 0.00 0.00 55.95 58.48 2jkl s SER 74 Cb -0.07 -2.45 0.88 0.00 0.10 0.00 0.00 66.02 64.48 2jkl s SER 74 CO -0.01 -3.04 1.94 0.44 0.98 0.00 0.00 173.24 173.55 2jkl h ASP 75 N -1.83 0.54 -0.17 7.02 3.32 -1.58 -0.63 116.42 123.09 2jkl h ASP 75 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2jkl h ASP 75 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2jkl h ASP 75 CO 0.47 0.32 0.00 -0.46 -1.72 0.00 0.00 179.24 177.85 2jkl n ASN 76 N -4.49 1.18 0.00 6.45 6.94 -1.26 -4.89 115.26 119.19 2jkl n ASN 76 Ca 0.12 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.88 2jkl n ASN 76 Cb 0.37 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.07 -2.06 -0.04 0.53 5.15 -0.25 -4.88 115.26 113.78 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 0.22 -1.58 -0.13 0.00 -0.53 0.00 0.00 39.78 37.76 2jkl n ASN 77 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2jkl h ARG 78 N 1.05 0.15 -5.63 1.20 2.43 -1.90 -3.46 114.38 108.22 2jkl h ARG 78 Ca 0.00 -0.26 -0.66 0.00 -0.81 0.00 0.00 59.98 58.25 2jkl h ARG 78 Cb 0.23 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 2jkl h ARG 78 CO 0.00 1.12 -0.50 -0.51 -1.51 0.00 0.00 179.97 178.58 2jkl s ASP 79 N -6.96 6.23 -0.01 -3.80 1.01 -1.26 -4.96 116.67 106.91 2jkl s ASP 79 Ca -0.25 0.40 0.03 0.00 0.71 0.00 0.00 52.55 53.44 2jkl s ASP 79 Cb 0.06 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 2jkl s ASP 79 CO 0.69 0.38 -0.06 -0.54 0.21 0.00 0.00 175.17 175.85 2jkl s LYS 80 N -0.83 2.62 -0.35 8.23 1.02 -1.26 -1.16 119.74 128.00 2jkl s LYS 80 Ca 0.14 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.48 2jkl s LYS 80 Cb -0.12 -2.54 0.10 0.00 -0.52 0.00 0.00 37.83 34.76 2jkl s LYS 80 CO 0.03 0.62 0.09 -1.17 -0.92 0.00 0.00 175.35 174.00 2jkl s LEU 81 N -1.29 3.86 0.28 3.17 2.96 -0.53 -4.97 118.68 122.17 2jkl s LEU 81 Ca 0.16 -2.09 -0.29 0.00 -0.22 0.00 0.00 54.13 51.69 2jkl s LEU 81 Cb -0.11 -1.37 -0.10 0.00 0.50 0.00 0.00 46.19 45.11 2jkl s LEU 81 CO 0.06 -0.37 1.40 -0.31 -1.32 0.00 0.00 176.35 175.81 2jkl s TYR 82 N 1.00 3.00 0.14 5.38 1.51 -1.26 -0.57 117.35 126.55 2jkl s TYR 82 Ca 0.11 1.17 0.01 0.00 -1.01 0.00 0.00 57.07 57.35 2jkl s TYR 82 Cb -0.19 -3.78 -0.04 0.00 -0.11 0.00 0.00 41.96 37.83 2jkl s TYR 82 CO -0.12 -2.41 -0.00 0.14 -1.11 0.00 0.00 175.55 172.05 2jkl s VAL 83 N -0.45 0.55 -0.01 0.71 -7.23 -0.70 -0.75 120.40 112.52 2jkl s VAL 83 Ca 0.55 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2jkl s VAL 83 Cb -0.41 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2jkl s VAL 83 CO 0.48 -0.58 -0.09 0.20 -0.31 0.00 0.00 175.10 174.80 2jkl s ASN 84 N -3.11 4.42 -0.16 4.85 0.01 0.35 -4.28 114.94 117.01 2jkl s ASN 84 Ca 0.21 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 52.17 2jkl s ASN 84 Cb 0.06 -0.99 -0.01 0.00 0.41 0.00 0.00 41.25 40.73 2jkl s ASN 84 CO 0.01 0.30 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.15 2jkl s ILE 85 N -0.92 2.95 -0.15 0.60 1.01 -1.26 -1.44 121.20 121.98 2jkl s ILE 85 Ca 0.15 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 2jkl s ILE 85 Cb -0.11 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.16 2jkl s ILE 85 CO 0.05 0.50 0.36 -0.60 0.00 0.00 0.00 174.94 175.26 2jkl s ARG 86 N 0.76 0.33 0.62 2.79 3.52 -0.55 -4.98 118.95 121.43 2jkl s ARG 86 Ca -0.05 0.73 -0.18 0.00 -0.13 0.00 0.00 55.73 56.09 2jkl s ARG 86 Cb -0.15 -0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 2jkl s ARG 86 CO 0.01 -0.17 1.21 -1.25 -0.81 0.00 0.00 175.30 174.29 2jkl s PRO 87 N 1.44 2.84 0.40 5.12 0.04 -1.26 -0.34 135.00 143.24 2jkl s PRO 87 Ca -0.09 1.81 0.22 0.00 0.04 0.00 0.00 61.00 62.98 2jkl s PRO 87 Cb -0.09 -1.91 0.47 0.00 0.04 0.00 0.00 34.50 33.01 2jkl s PRO 87 CO -0.11 -1.30 1.64 1.79 0.04 0.00 0.00 177.00 179.05 2jkl h THR 88 N 0.69 0.38 -2.70 1.26 1.35 -1.54 -3.45 112.91 108.90 2jkl h THR 88 Ca -0.50 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2jkl h THR 88 Cb 1.30 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2jkl h THR 88 CO 0.54 0.20 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 2jkl n ASP 89 N -3.19 0.00 -1.82 5.36 3.85 -1.26 -5.00 116.55 114.49 2jkl n ASP 89 Ca 0.02 -0.69 0.02 0.00 -0.71 0.00 0.00 54.79 53.44 2jkl n ASP 89 Cb 0.55 0.00 0.34 0.00 -1.35 0.00 0.00 41.12 40.66 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 -2.06 5.08 -4.78 -1.12 3.02 -1.26 -4.98 115.26 109.16 2jkl n ASN 90 Ca 0.00 -2.93 -0.36 0.00 -0.03 0.00 0.00 54.58 51.26 2jkl n ASN 90 Cb 0.00 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.45 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 -0.75 6.41 -0.15 6.41 1.04 -1.26 -5.02 113.70 120.37 2jkl s SER 91 Ca 0.50 2.10 -0.14 0.00 0.48 0.00 0.00 55.95 58.89 2jkl s SER 91 Cb 0.39 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 2jkl s SER 91 CO 0.14 -0.74 0.29 0.00 0.98 0.00 0.00 173.24 173.92 2jkl s ALA 92 N -1.71 3.60 0.16 5.32 0.00 -1.26 -4.87 121.76 123.00 2jkl s ALA 92 Ca 0.63 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2jkl s ALA 92 Cb -0.23 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 2jkl s ALA 92 CO 0.28 0.12 -0.10 -1.58 0.00 0.00 0.00 175.76 174.47 2jkl s TRP 93 N 0.38 1.37 0.08 0.00 0.52 -1.26 -1.07 118.94 118.97 2jkl s TRP 93 Ca 0.17 -0.74 0.06 0.00 0.02 0.00 0.00 56.10 55.61 2jkl s TRP 93 Cb -0.13 -0.69 -0.03 0.00 -1.15 0.00 0.00 33.47 31.47 2jkl s TRP 93 CO 0.04 0.12 -0.16 0.99 0.02 0.00 0.00 176.95 177.97 2jkl s THR 94 N -3.27 1.27 -0.17 2.01 2.01 0.13 -4.89 115.64 112.74 2jkl s THR 94 Ca 0.19 -1.39 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 2jkl s THR 94 Cb 0.02 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2jkl s THR 94 CO 0.02 -0.20 -0.00 -0.89 -0.69 0.00 0.00 174.62 172.86 2jkl s THR 95 N -1.30 4.16 -0.30 -0.82 2.01 -1.26 -0.49 115.64 117.64 2jkl s THR 95 Ca 0.01 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2jkl s THR 95 Cb -0.10 -2.85 0.11 0.00 0.01 0.00 0.00 72.50 69.67 2jkl s THR 95 CO 0.03 0.48 0.14 -0.62 -0.69 0.00 0.00 174.62 173.96 2jkl s ASP 96 N 0.43 3.46 -1.03 3.53 3.68 0.81 -4.97 116.67 122.58 2jkl s ASP 96 Ca -0.01 -1.46 -0.18 0.00 2.13 0.00 0.00 52.55 53.02 2jkl s ASP 96 Cb -0.14 -0.38 0.02 0.00 -1.45 0.00 0.00 42.92 40.97 2jkl s ASP 96 CO 0.02 -0.42 0.67 -3.20 0.13 0.00 0.00 175.17 172.37 2jkl n ASN 97 N 5.03 -4.71 0.00 -0.34 5.15 -1.26 -1.86 115.26 117.26 2jkl n ASN 97 Ca -0.03 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 2jkl n ASN 97 Cb 0.41 -2.01 0.00 0.00 -0.53 0.00 0.00 39.78 37.65 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 -1.86 1.48 3.62 8.20 0.00 -1.26 -5.01 105.19 110.36 2jkl n GLY 98 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.55 4.53 -0.33 1.61 1.01 -0.78 -1.09 120.40 122.80 2jkl s VAL 99 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2jkl s VAL 99 Cb 0.00 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.44 2jkl s VAL 99 CO 0.00 0.50 0.07 0.12 0.00 0.00 0.00 175.10 175.79 2jkl s PHE 100 N 0.10 3.34 0.14 5.22 5.36 0.32 -0.13 117.98 132.32 2jkl s PHE 100 Ca 0.03 -1.91 0.10 0.00 -0.96 0.00 0.00 56.93 54.20 2jkl s PHE 100 Cb -0.13 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 2jkl s PHE 100 CO 0.01 -0.83 -0.24 1.52 -1.46 0.00 0.00 175.22 174.22 2jkl s TYR 101 N 1.26 2.14 0.22 10.12 1.13 0.36 -1.13 117.35 131.45 2jkl s TYR 101 Ca -0.01 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.96 2jkl s TYR 101 Cb -0.20 -1.14 -0.09 0.00 -1.10 0.00 0.00 41.96 39.43 2jkl s TYR 101 CO -0.01 0.33 0.96 0.21 -2.51 0.00 0.00 175.55 174.54 2jkl s LYS 102 N -2.18 4.81 0.32 -3.49 2.20 -0.44 0.21 119.74 121.17 2jkl s LYS 102 Ca 0.13 1.52 0.25 0.00 -0.36 0.00 0.00 55.97 57.51 2jkl s LYS 102 Cb -0.09 -3.28 1.14 0.00 -1.51 0.00 0.00 37.83 34.08 2jkl s LYS 102 CO 0.06 0.44 1.76 -0.91 -0.36 0.00 0.00 175.35 176.33 2jkl h ASN 103 N 4.34 0.00 -5.03 1.43 2.35 -1.44 -3.43 115.58 113.80 2jkl h ASN 103 Ca -0.45 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.15 2jkl h ASN 103 Cb 1.20 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.42 2jkl h ASN 103 CO 0.69 0.00 -0.69 1.51 -1.65 0.00 0.00 177.43 177.29 2jkl s ASP 104 N -4.38 0.70 0.91 5.81 1.47 -1.26 -5.10 116.67 114.82 2jkl s ASP 104 Ca 0.02 -0.99 -0.12 0.00 1.18 0.00 0.00 52.55 52.64 2jkl s ASP 104 Cb 0.09 0.16 0.14 0.00 -0.34 0.00 0.00 42.92 42.97 2jkl s ASP 104 CO 0.36 -0.55 1.09 0.68 0.68 0.00 0.00 175.17 177.43 2jkl s VAL 105 N -3.78 2.55 0.00 2.11 -7.23 -1.26 -4.54 120.40 108.26 2jkl s VAL 105 Ca 0.08 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2jkl s VAL 105 Cb 0.07 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2jkl s VAL 105 CO -0.08 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 2jkl n GLY 106 N -1.13 4.21 3.44 2.32 0.00 -0.79 -4.94 105.19 108.31 2jkl n GLY 106 Ca 0.07 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 4.88 -4.77 1.61 7.64 -1.20 -4.46 113.62 117.32 2jkl n SER 107 Ca 0.00 -2.93 -0.38 0.00 1.01 0.00 0.00 58.87 56.57 2jkl n SER 107 Cb 0.00 -1.70 -0.02 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 3.47 3.09 -0.03 1.43 -0.00 -1.26 -4.69 118.94 120.96 2jkl s TRP 108 Ca 0.51 1.57 0.03 0.00 -0.00 0.00 0.00 56.10 58.21 2jkl s TRP 108 Cb 0.04 -3.35 0.00 0.00 -0.00 0.00 0.00 33.47 30.16 2jkl s TRP 108 CO 0.04 -1.21 -0.11 0.20 -0.00 0.00 0.00 176.95 175.88 2jkl s GLY 109 N -1.22 0.63 0.00 5.86 0.00 -1.26 -1.54 107.32 109.80 2jkl s GLY 109 Ca 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2jkl s GLY 109 CO 0.36 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.92 2jkl n GLY 110 N 3.26 -1.20 3.32 0.20 0.00 0.01 -5.01 105.19 105.77 2jkl n GLY 110 Ca -0.18 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.76 2.62 -0.23 -0.61 -1.09 -1.26 -0.61 121.20 117.26 2jkl s ILE 111 Ca 0.00 -0.83 -0.06 0.00 -2.23 0.00 0.00 60.65 57.53 2jkl s ILE 111 Cb 0.00 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 2jkl s ILE 111 CO 0.00 0.55 0.04 -0.63 -1.23 0.00 0.00 174.94 173.66 2jkl s ILE 112 N 0.18 4.11 0.07 2.92 -1.09 0.48 -1.22 121.20 126.66 2jkl s ILE 112 Ca -0.10 -0.25 -0.17 0.00 -2.23 0.00 0.00 60.65 57.90 2jkl s ILE 112 Cb -0.16 -2.90 -0.06 0.00 -1.58 0.00 0.00 42.46 37.76 2jkl s ILE 112 CO 0.06 0.38 0.52 -0.83 -1.23 0.00 0.00 174.94 173.84 2jkl s GLY 113 N 1.40 2.57 -0.24 6.18 0.00 0.54 -0.41 107.32 117.36 2jkl s GLY 113 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.65 2jkl s GLY 113 CO 0.02 0.29 -0.02 -0.42 0.00 0.00 0.00 173.10 172.97 2jkl s ILE 114 N -1.20 3.40 0.10 0.90 -1.09 -0.91 -1.49 121.20 120.92 2jkl s ILE 114 Ca 0.30 -0.62 0.08 0.00 -2.23 0.00 0.00 60.65 58.18 2jkl s ILE 114 Cb -0.18 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2jkl s ILE 114 CO 0.18 0.32 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.68 2jkl s TYR 115 N 1.46 1.81 0.17 3.97 2.02 -0.52 -0.62 117.35 125.64 2jkl s TYR 115 Ca 0.04 -0.42 -0.32 0.00 -0.37 0.00 0.00 57.07 56.01 2jkl s TYR 115 Cb -0.15 -0.99 -0.10 0.00 -0.40 0.00 0.00 41.96 40.31 2jkl s TYR 115 CO -0.02 0.21 1.58 0.08 -1.57 0.00 0.00 175.55 175.82 2jkl s VAL 116 N -1.15 2.57 -0.61 0.71 1.01 0.42 -0.50 120.40 122.85 2jkl s VAL 116 Ca 0.07 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 2jkl s VAL 116 Cb -0.10 -3.26 0.16 0.00 0.00 0.00 0.00 36.38 33.17 2jkl s VAL 116 CO 0.04 0.03 0.52 -0.62 0.00 0.00 0.00 175.10 175.07 2jkl s ASP 117 N 1.11 6.06 0.00 3.32 2.15 0.07 -0.41 116.67 128.97 2jkl s ASP 117 Ca 0.70 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 51.44 2jkl s ASP 117 Cb -0.44 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jkl s ASP 117 CO 0.32 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 2jkl n GLY 118 N 4.53 -0.37 3.68 2.66 0.00 -1.26 -4.72 105.19 109.71 2jkl n GLY 118 Ca -0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 2jkl n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jkl s GLN 119 N -3.53 4.18 -0.29 1.61 0.74 -1.26 -4.23 119.66 116.88 2jkl s GLN 119 Ca 0.00 2.36 0.19 0.00 0.05 0.00 0.00 55.36 57.96 2jkl s GLN 119 Cb 0.00 -3.80 0.49 0.00 1.10 0.00 0.00 33.01 30.80 2jkl s GLN 119 CO 0.00 -0.81 1.08 1.04 -0.55 0.00 0.00 175.29 176.05 2jkl n GLN 120 N 6.35 1.89 0.00 1.67 6.02 -0.79 -4.88 117.38 127.65 2jkl n GLN 120 Ca 0.17 -3.57 0.06 0.00 -0.01 0.00 0.00 57.00 53.65 2jkl n GLN 120 Cb 0.41 -1.63 0.35 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.47 0.31 0.11 5.09 -2.24 -1.24 -1.75 114.28 114.09 2jkl n THR 121 Ca 0.14 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 2jkl n THR 121 Cb 0.82 -0.87 0.23 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.13 3.51 -4.68 3.42 3.02 -1.26 -4.35 115.26 113.78 2jkl n ASN 122 Ca 0.08 -1.98 -0.45 0.00 -0.03 0.00 0.00 54.58 52.20 2jkl n ASN 122 Cb 0.07 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 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 1.44 0.30 -2.15 3.41 -1.04 -0.72 -4.92 114.28 110.60 2jkl n THR 123 Ca 0.20 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.74 2jkl n THR 123 Cb 0.59 -1.60 -0.02 0.00 -1.82 0.00 0.00 70.33 67.49 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 0.52 4.14 0.43 -2.82 0.02 -1.26 -4.83 135.00 131.20 2jkl s PRO 124 Ca 0.75 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 63.59 2jkl s PRO 124 Cb -0.64 -2.86 -0.08 0.00 0.02 0.00 0.00 34.50 30.93 2jkl s PRO 124 CO 0.41 -0.32 1.38 -2.14 -0.33 0.00 0.00 177.00 176.00 2jkl s PRO 125 N -2.07 3.81 0.00 5.54 0.02 -1.26 -4.86 135.00 136.17 2jkl s PRO 125 Ca 0.54 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.88 2jkl s PRO 125 Cb -0.36 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2jkl s PRO 125 CO 0.47 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2jkl n GLY 126 N 0.61 -2.07 3.61 0.52 0.00 -0.51 -4.96 105.19 102.38 2jkl n GLY 126 Ca 0.04 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.92 5.73 0.04 1.61 0.01 -1.26 -0.50 114.94 118.64 2jkl s ASN 127 Ca 0.00 0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.27 2jkl s ASN 127 Cb 0.00 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 2jkl s ASN 127 CO 0.00 0.09 -0.23 -0.31 -1.51 0.00 0.00 177.10 175.14 2jkl s TYR 128 N 0.91 2.43 0.02 2.20 2.02 0.61 -1.37 117.35 124.17 2jkl s TYR 128 Ca 0.05 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2jkl s TYR 128 Cb -0.13 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 2jkl s TYR 128 CO 0.03 0.17 -0.05 0.99 -1.57 0.00 0.00 175.55 175.12 2jkl s THR 129 N -0.84 0.29 -0.08 -0.71 2.01 -0.61 -1.07 115.64 114.64 2jkl s THR 129 Ca 0.13 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2jkl s THR 129 Cb -0.10 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.06 2jkl s THR 129 CO 0.03 -0.31 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.39 2jkl s LEU 130 N -1.15 0.98 -0.18 4.42 2.96 -0.09 -1.04 118.68 124.58 2jkl s LEU 130 Ca -0.09 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2jkl s LEU 130 Cb -0.08 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 2jkl s LEU 130 CO -0.00 -0.13 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.95 2jkl s THR 131 N 1.57 3.42 -0.10 3.68 2.01 -1.26 -0.47 115.64 124.49 2jkl s THR 131 Ca -0.00 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2jkl s THR 131 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.87 2jkl s THR 131 CO -0.04 0.47 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.40 2jkl s LEU 132 N 0.90 1.92 -0.09 4.42 1.43 -0.35 -1.76 118.68 125.15 2jkl s LEU 132 Ca -0.01 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2jkl s LEU 132 Cb -0.15 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2jkl s LEU 132 CO 0.01 0.10 -0.06 -0.89 0.23 0.00 0.00 176.35 175.74 2jkl s THR 133 N 0.57 3.79 0.40 5.49 2.01 0.12 -0.98 115.64 127.05 2jkl s THR 133 Ca -0.15 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 2jkl s THR 133 Cb -0.17 -2.57 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 2jkl s THR 133 CO 0.05 0.58 0.89 -0.83 -0.69 0.00 0.00 174.62 174.62 2jkl s GLY 134 N -0.59 2.37 0.00 4.40 0.00 -0.61 -0.47 107.32 112.42 2jkl s GLY 134 Ca 0.09 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2jkl s GLY 134 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.29 2jkl n GLY 135 N -0.59 -0.65 3.09 0.20 0.00 -0.33 -1.41 105.19 105.52 2jkl n GLY 135 Ca 0.06 -0.50 -0.11 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 -3.41 0.69 0.07 1.61 1.13 -0.68 -0.72 117.35 116.04 2jkl s TYR 136 Ca 0.00 -0.71 0.08 0.00 -1.41 0.00 0.00 57.07 55.03 2jkl s TYR 136 Cb 0.00 -0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 40.41 2jkl s TYR 136 CO 0.00 -0.15 -0.18 -0.46 -2.51 0.00 0.00 175.55 172.25 2jkl s TRP 137 N -2.42 2.54 0.00 -3.49 -0.00 -0.11 -0.72 118.94 114.73 2jkl s TRP 137 Ca -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 56.10 55.82 2jkl s TRP 137 Cb -0.03 -1.41 0.00 0.00 -0.00 0.00 0.00 33.47 32.03 2jkl s TRP 137 CO -0.03 0.30 0.11 0.00 -0.00 0.00 0.00 176.95 177.33