#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 -0.48 -0.12 1.61 1.04 -0.69 -5.00 113.70 110.06 2jkl s SER 1 Ca 0.00 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.58 2jkl s SER 1 Cb 0.00 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 2jkl s SER 1 CO 0.00 -0.70 0.31 0.12 0.98 0.00 0.00 173.24 173.95 2jkl s PHE 2 N -2.18 3.53 -0.29 5.02 2.19 -1.26 -1.74 117.98 123.25 2jkl s PHE 2 Ca -0.07 0.68 -0.03 0.00 0.33 0.00 0.00 56.93 57.84 2jkl s PHE 2 Cb -0.01 -2.30 0.04 0.00 -1.31 0.00 0.00 43.02 39.44 2jkl s PHE 2 CO 0.01 0.36 0.01 0.99 1.83 0.00 0.00 175.22 178.42 2jkl s THR 3 N 0.03 3.22 0.08 0.12 2.01 -0.01 -4.98 115.64 116.10 2jkl s THR 3 Ca 0.18 -1.15 -0.31 0.00 0.31 0.00 0.00 61.69 60.72 2jkl s THR 3 Cb -0.14 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 2jkl s THR 3 CO 0.06 -0.01 1.81 -2.84 -0.69 0.00 0.00 174.62 172.95 2jkl s PRO 4 N 1.33 4.16 -0.46 4.92 0.02 -1.26 -1.74 135.00 141.97 2jkl s PRO 4 Ca -0.02 2.51 0.05 0.00 0.02 0.00 0.00 61.00 63.55 2jkl s PRO 4 Cb -0.19 -3.77 0.19 0.00 0.02 0.00 0.00 34.50 30.76 2jkl s PRO 4 CO -0.01 -0.85 0.77 0.45 -0.33 0.00 0.00 177.00 177.04 2jkl s SER 5 N 3.12 -1.26 0.00 2.53 0.15 -0.57 -4.94 113.70 112.73 2jkl s SER 5 Ca 0.81 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2jkl s SER 5 Cb -0.43 1.63 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2jkl s SER 5 CO 0.36 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2jkl n GLY 6 N 3.33 -0.93 4.03 9.45 0.00 -1.11 -3.62 105.19 116.34 2jkl n GLY 6 Ca 0.15 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.89 2.25 -0.09 2.61 -4.23 -1.26 -4.63 115.64 107.40 2jkl s THR 7 Ca 0.00 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 2jkl s THR 7 Cb 0.00 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2jkl s THR 7 CO 0.00 0.00 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.01 2jkl s THR 8 N -2.68 2.68 -0.11 3.99 2.01 -1.26 -1.27 115.64 119.00 2jkl s THR 8 Ca 0.61 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 2jkl s THR 8 Cb -0.06 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2jkl s THR 8 CO 0.39 0.55 -0.03 -0.83 -0.69 0.00 0.00 174.62 174.01 2jkl s GLY 9 N 0.04 1.77 -0.17 4.40 0.00 -0.24 -4.98 107.32 108.14 2jkl s GLY 9 Ca -0.07 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2jkl s GLY 9 CO 0.05 -0.40 -0.20 -1.59 0.00 0.00 0.00 173.10 170.96 2jkl s THR 10 N -0.39 2.09 -0.30 0.90 2.01 -1.26 -1.37 115.64 117.32 2jkl s THR 10 Ca 0.07 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 2jkl s THR 10 Cb -0.12 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2jkl s THR 10 CO 0.02 0.54 0.23 -0.89 -0.69 0.00 0.00 174.62 173.83 2jkl s THR 11 N 1.15 5.29 0.02 -0.82 2.01 0.76 -4.96 115.64 119.09 2jkl s THR 11 Ca 0.02 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.18 2jkl s THR 11 Cb -0.14 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2jkl s THR 11 CO -0.10 0.16 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.26 2jkl s LYS 12 N 1.79 2.10 -0.14 4.92 1.02 -1.26 -0.64 119.74 127.53 2jkl s LYS 12 Ca 0.08 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 55.05 2jkl s LYS 12 Cb -0.16 -2.17 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 2jkl s LYS 12 CO 0.11 0.55 0.33 -1.17 -0.92 0.00 0.00 175.35 174.25 2jkl s LEU 13 N -1.20 -0.04 -0.26 3.17 2.96 0.00 -4.64 118.68 118.67 2jkl s LEU 13 Ca 0.13 0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 54.64 2jkl s LEU 13 Cb -0.10 1.01 -0.05 0.00 0.50 0.00 0.00 46.19 47.55 2jkl s LEU 13 CO 0.03 -0.20 0.23 -0.89 -1.32 0.00 0.00 176.35 174.20 2jkl s THR 14 N 1.73 5.29 -0.15 3.68 2.01 -0.61 -0.23 115.64 127.37 2jkl s THR 14 Ca -0.06 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 2jkl s THR 14 Cb -0.10 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 2jkl s THR 14 CO -0.10 0.26 0.21 -0.69 -0.69 0.00 0.00 174.62 173.61 2jkl s VAL 15 N 1.58 5.37 0.39 3.82 1.01 0.11 -1.02 120.40 131.65 2jkl s VAL 15 Ca 0.10 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2jkl s VAL 15 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2jkl s VAL 15 CO 0.09 0.48 0.12 0.42 0.00 0.00 0.00 175.10 176.21 2jkl s THR 16 N -0.10 0.67 0.47 3.92 -4.23 -0.13 -1.41 115.64 114.83 2jkl s THR 16 Ca 0.14 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2jkl s THR 16 Cb -0.12 -2.43 0.10 0.00 1.34 0.00 0.00 72.50 71.38 2jkl s THR 16 CO 0.03 0.00 0.64 -0.62 -0.54 0.00 0.00 174.62 174.13 2jkl n GLU 17 N -0.85 -0.18 -0.15 3.99 1.02 -1.26 -0.43 120.64 122.78 2jkl n GLU 17 Ca -0.05 -1.39 -0.06 0.00 -0.02 0.00 0.00 57.16 55.64 2jkl n GLU 17 Cb 0.65 -0.54 0.03 0.00 -0.02 0.00 0.00 31.44 31.56 2jkl n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jkl h LYS 18 N 0.00 0.52 -6.59 3.49 3.64 -1.98 -3.35 116.57 112.30 2jkl h LYS 18 Ca -0.21 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.58 2jkl h LYS 18 Cb 0.69 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 2jkl h LYS 18 CO 0.19 0.34 0.92 0.00 -2.27 0.00 0.00 179.45 178.63 2jkl s GLN 20 N 4.65 3.17 -0.38 0.00 0.74 -1.26 -5.05 119.66 121.54 2jkl s GLN 20 Ca 0.44 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 55.08 2jkl s GLN 20 Cb -0.08 -2.58 0.10 0.00 1.10 0.00 0.00 33.01 31.56 2jkl s GLN 20 CO 0.28 0.02 0.13 0.08 -0.55 0.00 0.00 175.29 175.25 2jkl s VAL 21 N 0.80 2.86 -0.33 1.34 1.01 -1.26 -5.07 120.40 119.74 2jkl s VAL 21 Ca -0.06 -2.15 -0.26 0.00 0.00 0.00 0.00 61.98 59.50 2jkl s VAL 21 Cb -0.15 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2jkl s VAL 21 CO -0.00 -0.63 0.94 -0.13 0.00 0.00 0.00 175.10 175.28 2jkl s ARG 22 N 1.05 3.95 -0.19 2.72 0.52 -1.26 -5.03 118.95 120.71 2jkl s ARG 22 Ca 0.09 0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 56.01 2jkl s ARG 22 Cb -0.21 -3.76 -0.02 0.00 0.52 0.00 0.00 34.95 31.48 2jkl s ARG 22 CO -0.06 -0.86 -0.03 0.08 0.02 0.00 0.00 175.30 174.45 2jkl s VAL 23 N 3.40 3.73 0.00 3.52 1.01 -1.26 -5.02 120.40 125.78 2jkl s VAL 23 Ca 0.39 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2jkl s VAL 23 Cb -0.13 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2jkl s VAL 23 CO 0.16 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2jkl n GLY 24 N 4.11 -1.26 3.64 4.51 0.00 -1.26 -4.92 105.19 110.01 2jkl n GLY 24 Ca -0.17 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.25 1.03 -4.76 1.61 10.43 -1.26 -4.91 116.55 118.44 2jkl n ASP 25 Ca 0.00 0.81 -0.41 0.00 2.57 0.00 0.00 54.79 57.76 2jkl n ASP 25 Cb 0.00 -1.42 -0.01 0.00 1.84 0.00 0.00 41.12 41.53 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 -0.96 4.51 -4.16 0.64 7.94 -1.26 -5.01 117.00 118.70 2jkl n LEU 26 Ca 0.14 1.17 -0.11 0.00 -1.11 0.00 0.00 56.01 56.10 2jkl n LEU 26 Cb 0.47 -1.61 -0.09 0.00 0.53 0.00 0.00 43.42 42.72 2jkl n LEU 26 CO 0.49 0.17 -0.20 0.42 -1.11 0.00 0.00 177.39 177.16 2jkl s THR 27 N -0.31 0.02 -0.23 1.96 -4.23 -1.26 -5.11 115.64 106.48 2jkl s THR 27 Ca 0.61 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 2jkl s THR 27 Cb -0.49 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 70.98 2jkl s THR 27 CO 0.53 -0.09 1.26 -0.69 -0.54 0.00 0.00 174.62 175.08 2jkl s VAL 28 N -4.12 4.26 0.01 2.29 1.01 -1.26 -5.00 120.40 117.59 2jkl s VAL 28 Ca 0.34 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2jkl s VAL 28 Cb 0.06 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2jkl s VAL 28 CO 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 175.10 174.89 2jkl s ALA 29 N 3.84 0.11 0.01 5.51 0.00 -1.26 -1.57 121.76 128.40 2jkl s ALA 29 Ca 0.54 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 2jkl s ALA 29 Cb -0.19 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2jkl s ALA 29 CO 0.17 -0.04 0.04 0.15 0.00 0.00 0.00 175.76 176.08 2jkl s LYS 30 N -0.58 0.36 0.55 0.00 1.02 -0.19 -4.94 119.74 115.96 2jkl s LYS 30 Ca -0.06 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 2jkl s LYS 30 Cb -0.04 0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 2jkl s LYS 30 CO -0.00 -0.07 1.02 0.95 -0.92 0.00 0.00 175.35 176.33 2jkl s THR 31 N -1.31 4.15 0.56 2.17 -4.23 -1.26 -0.96 115.64 114.77 2jkl s THR 31 Ca -0.14 1.03 0.28 0.00 -1.18 0.00 0.00 61.69 61.68 2jkl s THR 31 Cb -0.08 -3.54 0.34 0.00 1.34 0.00 0.00 72.50 70.55 2jkl s THR 31 CO 0.00 -0.59 2.22 0.08 -0.54 0.00 0.00 174.62 175.79 2jkl h ARG 32 N 0.68 0.00 0.00 3.99 0.11 -1.02 -0.89 114.38 117.25 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 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jkl h ARG 32 CO 0.59 0.02 0.00 0.78 0.10 0.00 0.00 179.97 181.46 2jkl h GLY 33 N 0.12 0.00 0.97 0.08 0.00 -1.84 -1.93 103.07 100.47 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 -0.15 -1.06 0.00 0.00 0.00 176.54 175.34 2jkl n GLN 34 N -3.08 0.56 -1.56 4.80 6.02 -0.34 -4.43 117.38 119.35 2jkl n GLN 34 Ca -0.01 -0.21 -0.35 0.00 -0.01 0.00 0.00 57.00 56.43 2jkl n GLN 34 Cb 0.21 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.04 7.84 -4.91 1.08 4.77 -0.73 -4.84 117.00 119.17 2jkl n LEU 35 Ca 0.13 -4.41 -0.27 0.00 -0.03 0.00 0.00 56.01 51.43 2jkl n LEU 35 Cb 0.29 -1.43 0.04 0.00 -2.33 0.00 0.00 43.42 39.99 2jkl n LEU 35 CO 0.25 1.99 0.60 0.42 -1.33 0.00 0.00 177.39 179.32 2jkl s THR 36 N 0.23 3.47 0.27 -5.08 -4.23 -1.26 -1.54 115.64 107.49 2jkl s THR 36 Ca 0.62 0.09 -0.31 0.00 -1.18 0.00 0.00 61.69 60.91 2jkl s THR 36 Cb 0.22 -3.41 -0.12 0.00 1.34 0.00 0.00 72.50 70.53 2jkl s THR 36 CO -0.09 -0.45 1.58 -0.67 -0.54 0.00 0.00 174.62 174.45 2jkl n ASP 37 N -2.72 3.62 0.00 3.99 2.03 -1.26 -1.88 116.55 120.33 2jkl n ASP 37 Ca 0.05 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2jkl n ASP 37 Cb 0.58 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 2.40 0.00 -1.80 -1.67 0.00 0.64 -4.95 120.51 115.12 2jkl n ALA 38 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 2jkl n ALA 38 Cb 0.35 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.28 3.72 0.20 0.00 0.00 -0.79 -4.55 121.76 118.05 2jkl s ALA 39 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 2jkl s ALA 39 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 2jkl s ALA 39 CO 0.00 -0.90 1.08 -1.25 0.00 0.00 0.00 175.76 174.69 2jkl s PRO 40 N -0.38 4.63 -0.26 0.00 0.04 -1.26 -0.30 135.00 137.46 2jkl s PRO 40 Ca 0.62 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 2jkl s PRO 40 Cb -0.46 -3.27 -0.15 0.00 0.04 0.00 0.00 34.50 30.67 2jkl s PRO 40 CO 0.46 0.14 -0.27 -0.89 0.04 0.00 0.00 177.00 176.48 2jkl n ILE 41 N 2.12 1.52 0.00 0.56 5.41 0.50 -4.91 119.36 124.56 2jkl n ILE 41 Ca 0.02 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2jkl n ILE 41 Cb 0.46 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 1.70 2.01 3.91 7.39 0.00 -1.21 -5.04 105.19 113.94 2jkl n GLY 42 Ca -0.50 -0.72 -0.28 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 3.60 -0.17 1.61 0.04 -1.26 -2.19 135.00 134.63 2jkl s PRO 43 Ca 0.00 0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 2jkl s PRO 43 Cb 0.00 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 32.04 2jkl s PRO 43 CO 0.00 0.06 -0.04 0.08 0.04 0.00 0.00 177.00 177.14 2jkl s VAL 44 N -2.34 1.02 0.39 -0.36 1.01 0.20 -4.97 120.40 115.36 2jkl s VAL 44 Ca 0.45 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2jkl s VAL 44 Cb -0.10 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 2jkl s VAL 44 CO 0.35 0.07 1.04 0.42 0.00 0.00 0.00 175.10 176.97 2jkl s THR 45 N 1.66 3.79 -0.04 3.92 -4.23 -1.26 -0.52 115.64 118.96 2jkl s THR 45 Ca 0.00 1.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.91 2jkl s THR 45 Cb -0.16 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 69.98 2jkl s THR 45 CO -0.07 0.02 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.30 2jkl s VAL 46 N -1.66 0.48 -0.20 2.29 1.01 0.02 -4.92 120.40 117.41 2jkl s VAL 46 Ca 0.57 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2jkl s VAL 46 Cb -0.22 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.73 2jkl s VAL 46 CO 0.27 0.20 0.09 -1.10 0.00 0.00 0.00 175.10 174.56 2jkl s GLN 47 N 0.83 0.23 0.05 2.72 -1.52 -1.26 -0.94 119.66 119.77 2jkl s GLN 47 Ca -0.11 -0.28 -0.05 0.00 -1.95 0.00 0.00 55.36 52.97 2jkl s GLN 47 Cb -0.14 -1.76 -0.05 0.00 -0.22 0.00 0.00 33.01 30.84 2jkl s GLN 47 CO 0.00 -0.75 0.29 0.00 -0.25 0.00 0.00 175.29 174.59 2jkl s ALA 48 N 2.05 3.85 0.00 6.09 0.00 -0.52 -5.01 121.76 128.22 2jkl s ALA 48 Ca 0.03 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2jkl s ALA 48 Cb -0.16 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 2jkl s ALA 48 CO -0.15 0.67 -0.05 -0.51 0.00 0.00 0.00 175.76 175.72 2jkl s LEU 49 N -2.08 2.05 -1.07 0.00 1.02 -1.26 -4.57 118.68 112.76 2jkl s LEU 49 Ca 0.32 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.31 2jkl s LEU 49 Cb -0.13 -0.21 0.00 0.00 0.02 0.00 0.00 46.19 45.87 2jkl s LEU 49 CO 0.20 0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.19 2jkl n GLY 50 N 2.72 0.86 1.78 -3.19 0.00 -1.26 -4.93 105.19 101.17 2jkl n GLY 50 Ca -0.14 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 1.53 0.00 -0.08 0.00 3.04 -1.92 -2.14 116.42 116.85 2jkl h ASP 52 Ca 0.40 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.18 2jkl h ASP 52 Cb 1.57 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.85 2jkl h ASP 52 CO 0.85 0.00 -0.04 0.00 -2.04 0.00 0.00 179.24 178.01 2jkl n ALA 53 N -2.52 2.62 -2.42 4.15 0.00 -1.26 -3.79 120.51 117.29 2jkl n ALA 53 Ca -0.02 -2.62 -0.16 0.00 0.00 0.00 0.00 53.44 50.65 2jkl n ALA 53 Cb 0.14 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 0.98 -0.38 0.00 1.81 -1.04 -4.92 118.95 112.50 2jkl s ARG 54 Ca 0.35 -1.28 -0.18 0.00 -1.72 0.00 0.00 55.73 52.90 2jkl s ARG 54 Cb 0.31 -0.71 0.00 0.00 -0.45 0.00 0.00 34.95 34.10 2jkl s ARG 54 CO 0.04 0.12 0.52 -0.65 -0.68 0.00 0.00 175.30 174.64 2jkl s GLN 55 N -3.04 3.48 0.45 3.54 -0.21 -1.24 -1.52 119.66 121.12 2jkl s GLN 55 Ca 0.10 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 54.93 2jkl s GLN 55 Cb -0.02 -3.86 -0.09 0.00 1.00 0.00 0.00 33.01 30.05 2jkl s GLN 55 CO 0.01 -0.73 1.33 0.28 -2.12 0.00 0.00 175.29 174.06 2jkl n VAL 56 N 5.49 2.83 -3.71 1.09 0.31 -1.26 -0.70 118.33 122.39 2jkl n VAL 56 Ca -0.05 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 2jkl n VAL 56 Cb 0.48 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 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 -0.79 -0.06 3.52 0.00 -0.18 -0.94 121.76 122.10 2jkl s ALA 57 Ca 0.63 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2jkl s ALA 57 Cb -0.47 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2jkl s ALA 57 CO 0.56 -0.48 -0.13 -0.51 0.00 0.00 0.00 175.76 175.20 2jkl s LEU 58 N -2.25 1.74 -0.13 0.00 2.01 -0.01 -1.51 118.68 118.52 2jkl s LEU 58 Ca -0.03 -0.31 -0.00 0.00 0.01 0.00 0.00 54.13 53.80 2jkl s LEU 58 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 46.19 45.34 2jkl s LEU 58 CO -0.05 0.07 -0.13 -0.75 1.01 0.00 0.00 176.35 176.50 2jkl s LYS 59 N 0.46 3.39 0.32 1.70 2.20 -0.05 -0.37 119.74 127.39 2jkl s LYS 59 Ca -0.11 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 54.62 2jkl s LYS 59 Cb -0.14 -2.64 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 2jkl s LYS 59 CO 0.03 0.21 0.81 0.00 -0.36 0.00 0.00 175.35 176.04 2jkl s ALA 60 N 0.37 3.27 0.67 3.13 0.00 -0.21 -0.63 121.76 128.35 2jkl s ALA 60 Ca -0.11 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 2jkl s ALA 60 Cb -0.16 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 2jkl s ALA 60 CO 0.06 0.27 1.09 -0.25 0.00 0.00 0.00 175.76 176.93 2jkl n ASP 61 N -0.01 1.14 -0.32 0.00 9.92 -0.59 -4.85 116.55 121.85 2jkl n ASP 61 Ca 0.02 0.75 0.17 0.00 -0.53 0.00 0.00 54.79 55.21 2jkl n ASP 61 Cb 0.52 -1.46 0.41 0.00 -0.64 0.00 0.00 41.12 39.96 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 0.17 0.66 0.00 -3.53 2.02 -1.93 0.38 112.91 110.67 2jkl h THR 62 Ca -0.49 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2jkl h THR 62 Cb 1.34 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2jkl h THR 62 CO 0.50 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.97 2jkl n ASP 63 N -4.67 0.00 -0.72 4.18 8.00 -1.26 -3.43 116.55 118.65 2jkl n ASP 63 Ca 0.23 -0.50 0.07 0.00 0.71 0.00 0.00 54.79 55.29 2jkl n ASP 63 Cb 0.67 -0.10 0.15 0.00 -0.02 0.00 0.00 41.12 41.82 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 -1.10 2.85 -3.72 -2.24 5.03 0.12 -4.75 115.26 111.45 2jkl n ASN 64 Ca 0.16 -1.87 -0.11 0.00 0.87 0.00 0.00 54.58 53.63 2jkl n ASN 64 Cb 0.12 -0.20 -0.06 0.00 -1.02 0.00 0.00 39.78 38.62 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 -1.04 -0.10 0.00 3.10 -0.12 -1.22 -1.26 117.98 117.34 2jkl s PHE 65 Ca 0.25 -0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 2jkl s PHE 65 Cb 0.14 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 2jkl s PHE 65 CO 0.19 -0.59 0.00 -1.91 -0.05 0.00 0.00 175.22 172.85 2jkl n GLU 66 N 0.11 0.00 -3.11 1.99 2.13 -0.81 -4.98 120.64 115.97 2jkl n GLU 66 Ca -0.17 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.44 2jkl n GLU 66 Cb 0.62 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.33 2jkl n GLU 66 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2jkl n GLN 67 N -0.20 -3.57 -1.41 5.31 6.02 -1.26 -0.36 117.38 121.91 2jkl n GLN 67 Ca 0.00 0.61 -0.14 0.00 -0.01 0.00 0.00 57.00 57.46 2jkl n GLN 67 Cb 0.00 -5.34 -0.06 0.00 1.02 0.00 0.00 30.24 25.86 2jkl n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkl n GLY 68 N -1.20 1.39 3.45 1.08 0.00 -1.26 -4.98 105.19 103.68 2jkl n GLY 68 Ca -0.06 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.12 2.14 0.10 1.61 1.02 0.51 -5.00 119.74 117.01 2jkl s LYS 69 Ca 0.00 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.10 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 0.55 0.07 -0.06 -0.92 0.00 0.00 175.35 174.99 2jkl s PHE 70 N -0.88 3.11 -0.09 3.18 0.40 -1.26 -1.92 117.98 120.52 2jkl s PHE 70 Ca 0.14 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 2jkl s PHE 70 Cb -0.10 -1.56 0.08 0.00 0.51 0.00 0.00 43.02 41.94 2jkl s PHE 70 CO 0.04 0.51 0.72 -0.59 0.70 0.00 0.00 175.22 176.61 2jkl s PHE 71 N -1.46 -0.64 0.47 0.36 -0.12 -0.39 -1.82 117.98 114.39 2jkl s PHE 71 Ca 0.29 1.16 -0.20 0.00 -0.05 0.00 0.00 56.93 58.13 2jkl s PHE 71 Cb -0.11 0.40 -0.09 0.00 -0.63 0.00 0.00 43.02 42.58 2jkl s PHE 71 CO 0.21 -0.55 0.99 -0.51 -0.05 0.00 0.00 175.22 175.31 2jkl s LEU 72 N -1.00 3.84 -0.00 -1.99 1.02 0.09 -4.53 118.68 116.10 2jkl s LEU 72 Ca -0.09 1.77 0.06 0.00 0.02 0.00 0.00 54.13 55.90 2jkl s LEU 72 Cb -0.01 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.64 2jkl s LEU 72 CO 0.08 -0.60 -0.20 -0.51 0.02 0.00 0.00 176.35 175.14 2jkl s ILE 73 N -2.17 1.59 0.81 -0.59 1.10 -0.45 -1.23 121.20 120.25 2jkl s ILE 73 Ca 0.64 -0.93 -0.10 0.00 -0.51 0.00 0.00 60.65 59.74 2jkl s ILE 73 Cb -0.12 -1.34 0.08 0.00 0.15 0.00 0.00 42.46 41.23 2jkl s ILE 73 CO 0.19 0.39 1.10 -0.94 -2.11 0.00 0.00 174.94 173.57 2jkl s SER 74 N -0.63 4.14 0.42 4.50 1.04 -0.23 -1.15 113.70 121.79 2jkl s SER 74 Ca 0.08 1.87 0.16 0.00 0.48 0.00 0.00 55.95 58.53 2jkl s SER 74 Cb -0.08 -2.51 1.04 0.00 0.10 0.00 0.00 66.02 64.57 2jkl s SER 74 CO -0.00 -2.27 1.90 0.44 0.98 0.00 0.00 173.24 174.29 2jkl h ASP 75 N -1.29 0.41 -0.29 7.02 3.32 -1.54 0.65 116.42 124.69 2jkl h ASP 75 Ca -0.44 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2jkl h ASP 75 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jkl h ASP 75 CO 0.50 0.20 0.00 -0.46 -1.72 0.00 0.00 179.24 177.76 2jkl n ASN 76 N -4.49 1.68 0.00 6.45 0.23 -1.26 -4.90 115.26 112.97 2jkl n ASN 76 Ca 0.15 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 2jkl n ASN 76 Cb 0.56 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 2jkl n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2jkl n ASN 77 N 0.36 -3.91 -0.06 0.53 5.15 0.22 -4.86 115.26 112.70 2jkl n ASN 77 Ca 0.10 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.87 2jkl n ASN 77 Cb 0.28 -2.37 -0.13 0.00 -0.53 0.00 0.00 39.78 37.03 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 -0.65 0.70 -3.97 1.20 0.63 -1.26 -4.88 116.66 108.42 2jkl n ARG 78 Ca 0.00 0.27 -0.36 0.00 -0.92 0.00 0.00 57.85 56.84 2jkl n ARG 78 Cb 0.27 -1.65 -0.08 0.00 0.45 0.00 0.00 32.46 31.45 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 -6.91 5.99 -0.04 6.15 1.01 -1.26 -4.96 116.67 116.65 2jkl s ASP 79 Ca -0.28 0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.28 2jkl s ASP 79 Cb 0.08 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 42.03 2jkl s ASP 79 CO 0.68 0.31 -0.04 -0.54 0.21 0.00 0.00 175.17 175.79 2jkl s LYS 80 N -0.45 2.74 -0.38 8.23 1.02 -1.26 -1.07 119.74 128.57 2jkl s LYS 80 Ca 0.11 -0.58 0.03 0.00 0.02 0.00 0.00 55.97 55.54 2jkl s LYS 80 Cb -0.12 -2.61 0.11 0.00 -0.52 0.00 0.00 37.83 34.69 2jkl s LYS 80 CO 0.02 0.65 0.12 -1.17 -0.92 0.00 0.00 175.35 174.04 2jkl s LEU 81 N -1.13 3.99 0.31 3.17 2.96 -0.37 -4.96 118.68 122.66 2jkl s LEU 81 Ca 0.15 -2.27 -0.29 0.00 -0.22 0.00 0.00 54.13 51.50 2jkl s LEU 81 Cb -0.11 -1.43 -0.11 0.00 0.50 0.00 0.00 46.19 45.04 2jkl s LEU 81 CO 0.05 -0.35 1.47 -0.31 -1.32 0.00 0.00 176.35 175.89 2jkl s TYR 82 N 0.75 2.84 0.09 5.38 1.51 -1.26 -0.73 117.35 125.93 2jkl s TYR 82 Ca 0.13 1.07 -0.00 0.00 -1.01 0.00 0.00 57.07 57.25 2jkl s TYR 82 Cb -0.21 -3.92 -0.04 0.00 -0.11 0.00 0.00 41.96 37.69 2jkl s TYR 82 CO -0.09 -2.86 -0.00 0.14 -1.11 0.00 0.00 175.55 171.63 2jkl s VAL 83 N -0.51 0.29 -0.06 0.71 -7.23 -0.75 -1.15 120.40 111.70 2jkl s VAL 83 Ca 0.57 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2jkl s VAL 83 Cb -0.44 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 2jkl s VAL 83 CO 0.52 -0.76 -0.09 0.20 -0.31 0.00 0.00 175.10 174.66 2jkl s ASN 84 N -3.00 4.48 -0.18 4.85 0.01 0.44 -4.29 114.94 117.25 2jkl s ASN 84 Ca 0.15 -0.07 -0.03 0.00 -0.71 0.00 0.00 52.86 52.20 2jkl s ASN 84 Cb 0.07 -1.08 -0.01 0.00 0.41 0.00 0.00 41.25 40.64 2jkl s ASN 84 CO -0.04 0.35 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.20 2jkl s ILE 85 N -0.80 3.38 -0.14 0.60 1.01 -1.26 -1.45 121.20 122.53 2jkl s ILE 85 Ca 0.12 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2jkl s ILE 85 Cb -0.11 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 39.92 2jkl s ILE 85 CO 0.02 0.47 0.34 -0.60 0.00 0.00 0.00 174.94 175.17 2jkl s ARG 86 N 0.86 0.32 0.46 2.79 3.52 -0.64 -4.98 118.95 121.29 2jkl s ARG 86 Ca -0.02 0.65 -0.23 0.00 -0.13 0.00 0.00 55.73 56.01 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 0.01 -0.15 1.18 -1.25 -0.81 0.00 0.00 175.30 174.28 2jkl s PRO 87 N 1.20 3.73 0.46 5.12 0.04 -1.26 -0.05 135.00 144.24 2jkl s PRO 87 Ca -0.08 1.80 0.26 0.00 0.04 0.00 0.00 61.00 63.01 2jkl s PRO 87 Cb -0.08 -2.40 0.99 0.00 0.04 0.00 0.00 34.50 33.05 2jkl s PRO 87 CO -0.10 -0.58 1.85 1.79 0.04 0.00 0.00 177.00 180.00 2jkl h THR 88 N 1.86 0.45 -2.82 1.26 1.35 -1.52 -3.45 112.91 110.03 2jkl h THR 88 Ca -0.49 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 2jkl h THR 88 Cb 1.25 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2jkl h THR 88 CO 0.60 0.18 0.00 -0.90 -0.25 0.00 0.00 175.52 175.15 2jkl n ASP 89 N -3.34 0.00 -1.45 5.36 3.85 -1.26 -5.00 116.55 114.72 2jkl n ASP 89 Ca 0.00 -0.88 0.06 0.00 -0.71 0.00 0.00 54.79 53.26 2jkl n ASP 89 Cb 0.41 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.47 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 -2.64 4.25 -4.78 -1.12 3.02 -1.26 -4.98 115.26 107.75 2jkl n ASN 90 Ca 0.00 -2.57 -0.36 0.00 -0.03 0.00 0.00 54.58 51.62 2jkl n ASN 90 Cb 0.00 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.65 6.43 -0.13 6.41 1.04 -1.26 -5.02 113.70 120.52 2jkl s SER 91 Ca 0.40 2.11 -0.17 0.00 0.48 0.00 0.00 55.95 58.77 2jkl s SER 91 Cb 0.29 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 2jkl s SER 91 CO 0.14 -0.73 0.42 0.00 0.98 0.00 0.00 173.24 174.06 2jkl s ALA 92 N -1.69 3.51 0.18 5.32 0.00 -1.26 -4.88 121.76 122.93 2jkl s ALA 92 Ca 0.62 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2jkl s ALA 92 Cb -0.23 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2jkl s ALA 92 CO 0.28 0.04 -0.10 -1.58 0.00 0.00 0.00 175.76 174.40 2jkl s TRP 93 N 0.54 1.44 0.07 0.00 0.52 -1.26 -0.95 118.94 119.31 2jkl s TRP 93 Ca 0.23 -0.72 0.07 0.00 0.02 0.00 0.00 56.10 55.69 2jkl s TRP 93 Cb -0.15 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.42 2jkl s TRP 93 CO 0.08 0.15 -0.18 0.99 0.02 0.00 0.00 176.95 178.01 2jkl s THR 94 N -3.23 1.46 -0.16 2.01 2.01 0.11 -4.87 115.64 112.97 2jkl s THR 94 Ca 0.20 -1.33 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 2jkl s THR 94 Cb 0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2jkl s THR 94 CO 0.03 -0.04 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.02 2jkl s THR 95 N -1.06 4.05 -0.30 -0.82 2.01 -1.26 -0.65 115.64 117.61 2jkl s THR 95 Ca 0.04 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 2jkl s THR 95 Cb -0.09 -2.79 0.12 0.00 0.01 0.00 0.00 72.50 69.75 2jkl s THR 95 CO 0.03 0.48 0.21 -0.62 -0.69 0.00 0.00 174.62 174.03 2jkl s ASP 96 N 0.40 2.76 -1.18 3.53 3.68 0.84 -4.97 116.67 121.73 2jkl s ASP 96 Ca -0.03 -1.27 -0.19 0.00 2.13 0.00 0.00 52.55 53.20 2jkl s ASP 96 Cb -0.14 -0.04 -0.00 0.00 -1.45 0.00 0.00 42.92 41.29 2jkl s ASP 96 CO 0.02 -0.40 0.74 -3.20 0.13 0.00 0.00 175.17 172.47 2jkl n ASN 97 N 5.05 -4.52 0.00 -0.34 5.15 -1.26 -1.90 115.26 117.44 2jkl n ASN 97 Ca -0.01 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 2jkl n ASN 97 Cb 0.43 -3.23 0.00 0.00 -0.53 0.00 0.00 39.78 36.45 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 -1.75 1.46 3.61 8.20 0.00 -1.26 -5.00 105.19 110.45 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 -2.89 4.25 -0.31 1.61 1.01 -0.80 -1.05 120.40 122.22 2jkl s VAL 99 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2jkl s VAL 99 Cb 0.00 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.61 2jkl s VAL 99 CO 0.00 0.54 0.00 0.12 0.00 0.00 0.00 175.10 175.76 2jkl s PHE 100 N -0.23 3.37 0.12 5.22 5.36 0.50 -0.12 117.98 132.21 2jkl s PHE 100 Ca 0.05 -2.21 0.10 0.00 -0.96 0.00 0.00 56.93 53.92 2jkl s PHE 100 Cb -0.12 -2.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 2jkl s PHE 100 CO 0.02 -0.86 -0.26 1.52 -1.46 0.00 0.00 175.22 174.18 2jkl s TYR 101 N 1.15 2.22 0.20 10.12 1.13 0.18 -0.83 117.35 131.51 2jkl s TYR 101 Ca -0.02 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.95 2jkl s TYR 101 Cb -0.20 -1.21 -0.08 0.00 -1.10 0.00 0.00 41.96 39.37 2jkl s TYR 101 CO -0.03 0.30 1.08 0.21 -2.51 0.00 0.00 175.55 174.60 2jkl s LYS 102 N -1.99 4.64 0.44 -3.49 2.20 -0.11 0.08 119.74 121.51 2jkl s LYS 102 Ca 0.13 1.70 0.14 0.00 -0.36 0.00 0.00 55.97 57.58 2jkl s LYS 102 Cb -0.10 -3.26 0.98 0.00 -1.51 0.00 0.00 37.83 33.93 2jkl s LYS 102 CO 0.05 0.15 1.98 -0.91 -0.36 0.00 0.00 175.35 176.26 2jkl h ASN 103 N 4.77 0.00 -2.77 1.43 4.21 -1.38 -3.43 115.58 118.42 2jkl h ASN 103 Ca -0.45 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.44 2jkl h ASN 103 Cb 1.21 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.26 2jkl h ASN 103 CO 0.71 0.20 -0.75 -0.62 -1.29 0.00 0.00 177.43 175.68 2jkl s ASP 104 N -6.98 3.90 0.85 5.81 2.15 -1.26 -5.07 116.67 116.07 2jkl s ASP 104 Ca -0.04 -0.78 -0.12 0.00 0.43 0.00 0.00 52.55 52.05 2jkl s ASP 104 Cb 0.16 -0.50 0.10 0.00 -0.30 0.00 0.00 42.92 42.38 2jkl s ASP 104 CO 0.70 0.08 1.10 0.68 -0.17 0.00 0.00 175.17 177.56 2jkl s VAL 105 N -1.96 2.74 0.00 1.11 -7.23 -1.26 -4.54 120.40 109.25 2jkl s VAL 105 Ca 0.26 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 2jkl s VAL 105 Cb -0.07 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2jkl s VAL 105 CO 0.14 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2jkl n GLY 106 N -1.80 4.26 3.29 2.32 0.00 -0.57 -4.93 105.19 107.76 2jkl n GLY 106 Ca 0.07 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 4.70 -4.77 1.61 7.64 -1.16 -4.43 113.62 117.21 2jkl n SER 107 Ca 0.00 -2.92 -0.38 0.00 1.01 0.00 0.00 58.87 56.58 2jkl n SER 107 Cb 0.00 -1.68 -0.03 0.00 -1.01 0.00 0.00 64.21 61.49 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 3.35 3.19 -0.04 1.43 -0.00 -1.26 -4.69 118.94 120.93 2jkl s TRP 108 Ca 0.50 1.60 0.03 0.00 -0.00 0.00 0.00 56.10 58.23 2jkl s TRP 108 Cb 0.06 -3.30 0.00 0.00 -0.00 0.00 0.00 33.47 30.23 2jkl s TRP 108 CO 0.02 -1.01 -0.12 0.20 -0.00 0.00 0.00 176.95 176.04 2jkl s GLY 109 N -1.23 0.69 0.00 5.86 0.00 -1.26 -1.44 107.32 109.94 2jkl s GLY 109 Ca 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2jkl s GLY 109 CO 0.36 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.92 2jkl n GLY 110 N 3.31 -1.19 3.41 0.20 0.00 -0.12 -5.01 105.19 105.80 2jkl n GLY 110 Ca -0.19 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.49 3.19 -0.26 -0.61 -1.09 -1.26 -0.80 121.20 117.88 2jkl s ILE 111 Ca 0.00 -0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 57.73 2jkl s ILE 111 Cb 0.00 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 2jkl s ILE 111 CO 0.00 0.53 0.07 -0.63 -1.23 0.00 0.00 174.94 173.68 2jkl s ILE 112 N 0.20 4.28 0.11 2.92 -1.09 0.32 -1.18 121.20 126.76 2jkl s ILE 112 Ca -0.07 -0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 57.91 2jkl s ILE 112 Cb -0.15 -3.03 -0.07 0.00 -1.58 0.00 0.00 42.46 37.63 2jkl s ILE 112 CO 0.05 0.30 0.60 -0.83 -1.23 0.00 0.00 174.94 173.82 2jkl s GLY 113 N 1.60 2.63 -0.24 6.18 0.00 0.93 -0.63 107.32 117.80 2jkl s GLY 113 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 2jkl s GLY 113 CO 0.04 0.42 -0.04 -0.42 0.00 0.00 0.00 173.10 173.10 2jkl s ILE 114 N -1.24 3.20 0.09 0.90 -1.09 -0.93 -1.61 121.20 120.51 2jkl s ILE 114 Ca 0.33 -0.71 0.08 0.00 -2.23 0.00 0.00 60.65 58.12 2jkl s ILE 114 Cb -0.18 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 2jkl s ILE 114 CO 0.20 0.32 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.71 2jkl s TYR 115 N 1.42 1.79 0.17 3.97 2.02 -0.53 -0.37 117.35 125.82 2jkl s TYR 115 Ca 0.04 -0.41 -0.32 0.00 -0.37 0.00 0.00 57.07 56.01 2jkl s TYR 115 Cb -0.15 -1.01 -0.10 0.00 -0.40 0.00 0.00 41.96 40.30 2jkl s TYR 115 CO -0.04 0.17 1.60 0.08 -1.57 0.00 0.00 175.55 175.80 2jkl s VAL 116 N -1.06 2.51 -0.61 0.71 1.01 0.60 -0.42 120.40 123.13 2jkl s VAL 116 Ca 0.07 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 2jkl s VAL 116 Cb -0.10 -3.23 0.16 0.00 0.00 0.00 0.00 36.38 33.21 2jkl s VAL 116 CO 0.04 0.03 0.50 -0.62 0.00 0.00 0.00 175.10 175.05 2jkl s ASP 117 N 1.19 5.98 0.00 3.32 2.15 -0.30 -0.26 116.67 128.73 2jkl s ASP 117 Ca 0.71 -2.30 0.00 0.00 0.43 0.00 0.00 52.55 51.39 2jkl s ASP 117 Cb -0.45 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2jkl s ASP 117 CO 0.31 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2jkl n GLY 118 N 4.42 -0.10 3.69 2.66 0.00 -1.26 -4.71 105.19 109.89 2jkl n GLY 118 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -4.69 4.14 -0.33 1.61 0.74 -1.26 -4.35 119.66 115.52 2jkl s GLN 119 Ca 0.00 2.56 0.16 0.00 0.05 0.00 0.00 55.36 58.13 2jkl s GLN 119 Cb 0.00 -3.59 0.46 0.00 1.10 0.00 0.00 33.01 30.98 2jkl s GLN 119 CO 0.00 -0.83 1.01 1.04 -0.55 0.00 0.00 175.29 175.96 2jkl n GLN 120 N 5.66 1.71 0.00 1.67 6.02 -0.59 -4.91 117.38 126.94 2jkl n GLN 120 Ca 0.17 -3.54 0.06 0.00 -0.01 0.00 0.00 57.00 53.69 2jkl n GLN 120 Cb 0.38 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.23 0.58 -0.84 5.09 -2.24 -1.24 -2.20 114.28 113.21 2jkl n THR 121 Ca 0.15 0.15 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 2jkl n THR 121 Cb 0.79 -0.93 0.32 0.00 -2.10 0.00 0.00 70.33 68.41 2jkl n THR 121 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jkl n ASN 122 N -1.25 4.61 -4.71 3.42 0.23 -1.26 -4.30 115.26 111.99 2jkl n ASN 122 Ca 0.07 -2.82 -0.43 0.00 -0.53 0.00 0.00 54.58 50.86 2jkl n ASN 122 Cb 0.10 -0.58 -0.02 0.00 -2.08 0.00 0.00 39.78 37.20 2jkl n ASN 122 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2jkl n THR 123 N 0.23 0.71 -2.10 5.53 -1.04 -0.93 -4.91 114.28 111.76 2jkl n THR 123 Ca 0.24 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.67 2jkl n THR 123 Cb 0.96 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.04 4.08 0.43 -2.82 0.02 -1.26 -4.85 135.00 130.57 2jkl s PRO 124 Ca 0.69 2.13 -0.26 0.00 0.02 0.00 0.00 61.00 63.58 2jkl s PRO 124 Cb -0.56 -2.83 -0.09 0.00 0.02 0.00 0.00 34.50 31.04 2jkl s PRO 124 CO 0.45 -0.39 1.41 -2.14 -0.33 0.00 0.00 177.00 176.00 2jkl s PRO 125 N -2.13 3.78 0.00 5.54 0.02 -1.26 -4.86 135.00 136.09 2jkl s PRO 125 Ca 0.55 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.96 2jkl s PRO 125 Cb -0.38 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2jkl s PRO 125 CO 0.49 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 2jkl n GLY 126 N 0.58 -2.21 3.56 0.52 0.00 -0.50 -4.97 105.19 102.18 2jkl n GLY 126 Ca 0.04 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.98 5.71 0.00 1.61 0.01 -1.26 -0.71 114.94 119.32 2jkl s ASN 127 Ca 0.00 -0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2jkl s ASN 127 Cb 0.00 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 2jkl s ASN 127 CO 0.00 0.01 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.10 2jkl s TYR 128 N 1.40 2.57 0.03 2.20 2.02 0.68 -1.25 117.35 125.00 2jkl s TYR 128 Ca 0.06 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2jkl s TYR 128 Cb -0.15 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 2jkl s TYR 128 CO 0.06 0.18 -0.07 0.99 -1.57 0.00 0.00 175.55 175.15 2jkl s THR 129 N -0.81 0.48 -0.07 -0.71 2.01 -0.30 -0.82 115.64 115.42 2jkl s THR 129 Ca 0.13 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 2jkl s THR 129 Cb -0.10 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2jkl s THR 129 CO 0.03 -0.25 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.45 2jkl s LEU 130 N -1.18 1.00 -0.17 4.42 2.96 0.19 -1.34 118.68 124.55 2jkl s LEU 130 Ca -0.07 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2jkl s LEU 130 Cb -0.08 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2jkl s LEU 130 CO 0.00 -0.12 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.92 2jkl s THR 131 N 1.53 3.15 -0.10 3.68 2.01 -1.26 -0.17 115.64 124.47 2jkl s THR 131 Ca -0.01 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2jkl s THR 131 Cb -0.13 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.02 2jkl s THR 131 CO -0.04 0.49 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.45 2jkl s LEU 132 N 0.80 1.84 -0.13 4.42 1.43 -0.47 -1.54 118.68 125.04 2jkl s LEU 132 Ca -0.04 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 2jkl s LEU 132 Cb -0.15 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 2jkl s LEU 132 CO 0.01 0.06 -0.01 -0.89 0.23 0.00 0.00 176.35 175.76 2jkl s THR 133 N 0.73 4.18 0.38 5.49 2.01 0.20 -1.08 115.64 127.55 2jkl s THR 133 Ca -0.12 -0.27 -0.24 0.00 0.31 0.00 0.00 61.69 61.37 2jkl s THR 133 Cb -0.16 -2.81 -0.10 0.00 0.01 0.00 0.00 72.50 69.45 2jkl s THR 133 CO 0.02 0.53 0.99 -0.83 -0.69 0.00 0.00 174.62 174.65 2jkl s GLY 134 N -0.15 2.66 0.00 4.40 0.00 -0.40 -0.87 107.32 112.96 2jkl s GLY 134 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2jkl s GLY 134 CO 0.02 0.95 0.00 0.61 0.00 0.00 0.00 173.10 174.68 2jkl n GLY 135 N 0.14 -0.65 3.08 0.20 0.00 -0.57 -1.51 105.19 105.88 2jkl n GLY 135 Ca 0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.34 0.55 -0.12 1.61 1.13 -0.71 -1.01 117.35 115.45 2jkl s TYR 136 Ca 0.00 -0.89 -0.06 0.00 -1.41 0.00 0.00 57.07 54.70 2jkl s TYR 136 Cb 0.00 -0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 40.45 2jkl s TYR 136 CO 0.00 -0.28 0.11 -0.46 -2.51 0.00 0.00 175.55 172.41 2jkl s TRP 137 N -3.20 3.49 0.00 -3.49 -0.11 0.13 -0.83 118.94 114.93 2jkl s TRP 137 Ca 0.02 0.44 0.00 0.00 1.22 0.00 0.00 56.10 57.78 2jkl s TRP 137 Cb 0.03 -1.94 0.00 0.00 -1.50 0.00 0.00 33.47 30.06 2jkl s TRP 137 CO -0.07 0.63 0.00 0.00 -4.62 0.00 0.00 176.95 172.89