#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ut2 s SER 1 N 0.00 1.93 -0.11 1.61 1.04 -1.25 -4.92 113.70 112.00 1ut2 s SER 1 Ca 0.00 -0.73 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 1ut2 s SER 1 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1ut2 s SER 1 CO 0.00 -0.10 0.49 0.12 0.98 0.00 0.00 173.24 174.72 1ut2 s PHE 2 N -1.74 3.53 -0.30 5.02 2.19 -1.26 -1.89 117.98 123.54 1ut2 s PHE 2 Ca 0.05 0.92 -0.07 0.00 0.33 0.00 0.00 56.93 58.15 1ut2 s PHE 2 Cb -0.07 -2.55 0.01 0.00 -1.31 0.00 0.00 43.02 39.10 1ut2 s PHE 2 CO 0.03 0.20 0.09 0.99 1.83 0.00 0.00 175.22 178.36 1ut2 s THR 3 N 0.51 4.06 -0.07 0.12 2.01 0.12 -4.98 115.64 117.41 1ut2 s THR 3 Ca 0.26 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1ut2 s THR 3 Cb -0.15 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 1ut2 s THR 3 CO 0.11 0.06 1.78 -2.84 -0.69 0.00 0.00 174.62 173.04 1ut2 s PRO 4 N 1.51 4.03 -0.49 4.92 0.02 -1.26 -1.65 135.00 142.08 1ut2 s PRO 4 Ca 0.03 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.32 1ut2 s PRO 4 Cb -0.17 -4.07 0.23 0.00 0.02 0.00 0.00 34.50 30.50 1ut2 s PRO 4 CO 0.03 -1.04 0.83 0.45 -0.33 0.00 0.00 177.00 176.94 1ut2 n SER 5 N 7.80 -2.89 0.00 2.53 2.88 -0.80 -4.94 113.62 118.20 1ut2 n SER 5 Ca 0.19 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 1ut2 n SER 5 Cb 0.43 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 1ut2 n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ut2 n GLY 6 N 1.98 -1.35 3.95 0.46 0.00 -1.18 -3.78 105.19 105.27 1ut2 n GLY 6 Ca 0.12 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1ut2 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ut2 s THR 7 N -2.94 4.01 -0.24 2.61 -4.23 -1.26 -4.55 115.64 109.05 1ut2 s THR 7 Ca 0.00 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 59.98 1ut2 s THR 7 Cb 0.00 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 1ut2 s THR 7 CO 0.00 -0.36 0.08 -0.89 -0.54 0.00 0.00 174.62 172.92 1ut2 s THR 8 N -2.58 4.57 0.25 3.99 2.01 -1.26 -1.65 115.64 120.96 1ut2 s THR 8 Ca 0.49 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1ut2 s THR 8 Cb -0.10 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1ut2 s THR 8 CO 0.38 0.36 0.28 -0.83 -0.69 0.00 0.00 174.62 174.12 1ut2 s GLY 9 N 1.31 1.33 -0.03 4.40 0.00 0.12 -4.94 107.32 109.51 1ut2 s GLY 9 Ca 0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 1ut2 s GLY 9 CO 0.04 -1.37 0.06 -1.08 0.00 0.00 0.00 173.10 170.76 1ut2 s THR 10 N -2.07 -0.04 -0.38 0.90 -1.32 -1.26 -0.90 115.64 110.57 1ut2 s THR 10 Ca 0.34 0.13 -0.08 0.00 -1.21 0.00 0.00 61.69 60.87 1ut2 s THR 10 Cb -0.08 -0.11 0.06 0.00 -1.51 0.00 0.00 72.50 70.85 1ut2 s THR 10 CO 0.27 0.05 0.19 -0.89 -2.21 0.00 0.00 174.62 172.04 1ut2 s THR 11 N 0.71 4.11 -0.17 5.08 2.01 -0.06 -4.93 115.64 122.38 1ut2 s THR 11 Ca -0.06 -1.23 -0.05 0.00 0.31 0.00 0.00 61.69 60.66 1ut2 s THR 11 Cb -0.08 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1ut2 s THR 11 CO -0.02 -0.35 0.01 -0.54 -0.69 0.00 0.00 174.62 173.03 1ut2 s LYS 12 N 1.43 3.82 -0.04 4.92 1.02 -1.26 -1.10 119.74 128.53 1ut2 s LYS 12 Ca 0.01 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1ut2 s LYS 12 Cb -0.21 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1ut2 s LYS 12 CO 0.03 0.26 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.53 1ut2 s LEU 13 N 0.36 1.18 -0.27 3.17 2.96 -0.00 -4.19 118.68 121.90 1ut2 s LEU 13 Ca -0.01 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.73 1ut2 s LEU 13 Cb -0.13 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 1ut2 s LEU 13 CO 0.02 -0.09 0.16 -0.89 -1.32 0.00 0.00 176.35 174.23 1ut2 s THR 14 N 1.04 5.15 0.06 3.68 2.01 -0.14 -0.70 115.64 126.74 1ut2 s THR 14 Ca -0.09 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1ut2 s THR 14 Cb -0.14 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1ut2 s THR 14 CO -0.01 0.29 0.51 -0.69 -0.69 0.00 0.00 174.62 174.02 1ut2 s VAL 15 N 1.58 4.86 0.34 3.82 1.01 0.34 -2.15 120.40 130.20 1ut2 s VAL 15 Ca 0.07 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1ut2 s VAL 15 Cb -0.15 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1ut2 s VAL 15 CO 0.08 0.49 0.27 0.35 0.00 0.00 0.00 175.10 176.30 1ut2 n THR 16 N 1.54 0.00 -2.12 3.92 -2.24 -0.36 -1.93 114.28 113.10 1ut2 n THR 16 Ca -0.10 -2.44 -0.20 0.00 -2.27 0.00 0.00 64.05 59.03 1ut2 n THR 16 Cb 0.51 1.18 0.13 0.00 -2.10 0.00 0.00 70.33 70.06 1ut2 n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ut2 n GLU 17 N -0.67 -0.49 -0.29 -0.78 -0.58 -1.26 -1.85 120.64 114.72 1ut2 n GLU 17 Ca 0.06 -1.86 0.08 0.00 -0.42 0.00 0.00 57.16 55.02 1ut2 n GLU 17 Cb 0.61 -0.80 0.23 0.00 -0.57 0.00 0.00 31.44 30.91 1ut2 n GLU 17 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ut2 h GLU 18 N 0.00 0.52 -5.05 3.49 4.81 -1.98 -3.31 114.58 113.05 1ut2 h GLU 18 Ca -0.30 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.23 1ut2 h GLU 18 Cb 0.94 -0.12 -0.17 0.00 0.63 0.00 0.00 28.75 30.03 1ut2 h GLU 18 CO 0.26 0.34 0.27 0.00 -0.73 0.00 0.00 179.01 179.15 1ut2 s GLN 20 N 3.20 3.87 -0.40 0.00 -2.07 -1.25 -5.07 119.66 117.95 1ut2 s GLN 20 Ca 0.17 -0.40 -0.03 0.00 -1.82 0.00 0.00 55.36 53.28 1ut2 s GLN 20 Cb -0.20 -3.13 0.10 0.00 -1.09 0.00 0.00 33.01 28.69 1ut2 s GLN 20 CO 0.09 0.24 0.19 0.08 -1.32 0.00 0.00 175.29 174.57 1ut2 s VAL 21 N 0.44 3.29 -0.84 3.63 1.01 -1.26 -5.05 120.40 121.62 1ut2 s VAL 21 Ca 0.01 -1.97 -0.25 0.00 0.00 0.00 0.00 61.98 59.77 1ut2 s VAL 21 Cb -0.13 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.08 1ut2 s VAL 21 CO 0.01 -0.63 1.32 -0.13 0.00 0.00 0.00 175.10 175.67 1ut2 s ARG 22 N 1.16 3.33 0.38 2.72 1.81 -1.26 -5.00 118.95 122.09 1ut2 s ARG 22 Ca 0.07 -0.61 -0.18 0.00 -1.72 0.00 0.00 55.73 53.29 1ut2 s ARG 22 Cb -0.22 -4.60 -0.10 0.00 -0.45 0.00 0.00 34.95 29.57 1ut2 s ARG 22 CO -0.04 -2.14 0.85 0.08 -0.68 0.00 0.00 175.30 173.37 1ut2 s VAL 23 N 5.30 4.54 0.00 3.52 1.01 -1.26 -4.88 120.40 128.63 1ut2 s VAL 23 Ca 0.38 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1ut2 s VAL 23 Cb -0.06 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1ut2 s VAL 23 CO 0.06 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1ut2 n GLY 24 N -0.53 4.29 3.82 4.51 0.00 -1.26 -4.73 105.19 111.29 1ut2 n GLY 24 Ca 0.05 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ut2 n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ut2 s ASP 25 N -4.00 6.20 0.16 1.61 1.11 -1.26 -5.03 116.67 115.46 1ut2 s ASP 25 Ca 0.00 1.68 -0.29 0.00 0.18 0.00 0.00 52.55 54.13 1ut2 s ASP 25 Cb 0.00 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.40 1ut2 s ASP 25 CO 0.00 -0.88 0.90 -0.22 1.18 0.00 0.00 175.17 176.15 1ut2 s LEU 26 N -4.32 4.57 0.33 1.23 0.20 -1.26 -5.05 118.68 114.37 1ut2 s LEU 26 Ca 0.61 1.80 0.03 0.00 0.69 0.00 0.00 54.13 57.26 1ut2 s LEU 26 Cb -0.13 -3.51 -0.02 0.00 -0.43 0.00 0.00 46.19 42.10 1ut2 s LEU 26 CO 0.35 0.07 0.34 0.28 -0.29 0.00 0.00 176.35 177.10 1ut2 s THR 27 N -0.64 0.00 -0.64 3.68 -1.32 -1.26 -5.09 115.64 110.37 1ut2 s THR 27 Ca 0.42 -1.86 -0.27 0.00 -1.21 0.00 0.00 61.69 58.77 1ut2 s THR 27 Cb -0.24 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 1ut2 s THR 27 CO 0.29 0.00 1.58 -0.69 -2.21 0.00 0.00 174.62 173.60 1ut2 s VAL 28 N -3.36 3.55 -0.04 5.08 1.01 -1.26 -4.97 120.40 120.42 1ut2 s VAL 28 Ca 0.37 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1ut2 s VAL 28 Cb 0.02 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1ut2 s VAL 28 CO 0.24 -1.27 -0.12 0.00 0.00 0.00 0.00 175.10 173.95 1ut2 s ALA 29 N 7.37 2.78 -0.06 5.51 0.00 -1.26 -0.97 121.76 135.13 1ut2 s ALA 29 Ca 0.54 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1ut2 s ALA 29 Cb -0.11 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.02 1ut2 s ALA 29 CO 0.20 0.57 0.45 0.21 0.00 0.00 0.00 175.76 177.18 1ut2 s LYS 30 N -0.92 0.75 0.50 0.00 2.47 -0.91 -4.97 119.74 116.66 1ut2 s LYS 30 Ca 0.13 0.12 -0.04 0.00 -1.56 0.00 0.00 55.97 54.61 1ut2 s LYS 30 Cb -0.11 0.35 -0.01 0.00 -1.46 0.00 0.00 37.83 36.59 1ut2 s LYS 30 CO 0.02 -0.20 0.79 0.95 0.16 0.00 0.00 175.35 177.07 1ut2 s THR 31 N -0.94 4.33 0.55 3.43 -4.23 -1.26 -1.22 115.64 116.29 1ut2 s THR 31 Ca -0.10 -0.04 0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1ut2 s THR 31 Cb -0.03 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.46 1ut2 s THR 31 CO 0.05 -0.61 2.16 0.03 -0.54 0.00 0.00 174.62 175.72 1ut2 h ARG 32 N 0.16 0.00 -0.43 3.99 3.08 -1.65 -1.65 114.38 117.89 1ut2 h ARG 32 Ca -0.46 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 1ut2 h ARG 32 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1ut2 h ARG 32 CO 0.60 0.00 -0.10 0.78 -1.07 0.00 0.00 179.97 180.19 1ut2 h GLY 33 N 0.00 0.81 1.84 0.04 0.00 -1.86 -2.47 103.07 101.43 1ut2 h GLY 33 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1ut2 h GLY 33 CO -0.00 0.55 0.00 -1.06 0.00 0.00 0.00 176.54 176.03 1ut2 n GLN 34 N -4.17 0.13 -0.62 4.80 6.02 -0.62 -4.06 117.38 118.84 1ut2 n GLN 34 Ca 0.01 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.04 1ut2 n GLN 34 Cb 0.35 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1ut2 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ut2 n LEU 35 N -1.42 4.69 -4.85 1.08 4.77 -0.93 -4.81 117.00 115.53 1ut2 n LEU 35 Ca 0.08 -2.43 -0.29 0.00 -0.03 0.00 0.00 56.01 53.33 1ut2 n LEU 35 Cb 0.25 -1.10 0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1ut2 n LEU 35 CO 0.21 1.12 0.76 0.42 -1.33 0.00 0.00 177.39 178.57 1ut2 s THR 36 N 0.64 1.99 0.42 -5.08 -4.23 -1.26 -1.25 115.64 106.88 1ut2 s THR 36 Ca 0.24 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.50 1ut2 s THR 36 Cb 0.12 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 1ut2 s THR 36 CO 0.00 0.00 1.31 -0.62 -0.54 0.00 0.00 174.62 174.77 1ut2 s ASP 37 N -4.37 6.21 0.00 3.99 3.68 -1.26 -2.13 116.67 122.78 1ut2 s ASP 37 Ca 0.64 2.67 0.00 0.00 2.13 0.00 0.00 52.55 57.98 1ut2 s ASP 37 Cb -0.12 -2.64 0.00 0.00 -1.45 0.00 0.00 42.92 38.71 1ut2 s ASP 37 CO 0.51 -0.92 0.00 0.00 0.13 0.00 0.00 175.17 174.89 1ut2 n ALA 38 N 0.00 0.00 -1.68 3.66 0.00 0.02 -4.90 120.51 117.61 1ut2 n ALA 38 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.01 1ut2 n ALA 38 Cb 0.44 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1ut2 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ut2 n ALA 39 N 0.65 1.08 -2.71 0.00 0.00 -0.91 -4.45 120.51 114.18 1ut2 n ALA 39 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1ut2 n ALA 39 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 1ut2 n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ut2 s PRO 40 N 2.66 4.52 0.00 0.00 0.04 -1.26 0.82 135.00 141.78 1ut2 s PRO 40 Ca 0.87 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ut2 s PRO 40 Cb -0.69 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1ut2 s PRO 40 CO 0.45 -0.09 0.00 -0.89 0.04 0.00 0.00 177.00 176.51 1ut2 n ILE 41 N 4.02 0.00 -2.30 0.56 2.08 0.13 -4.95 119.36 118.90 1ut2 n ILE 41 Ca 0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.37 1ut2 n ILE 41 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1ut2 n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ut2 n GLY 42 N 5.00 1.48 2.98 7.39 0.00 -1.26 -4.92 105.19 115.86 1ut2 n GLY 42 Ca 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1ut2 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ut2 s PRO 43 N -0.28 0.27 -0.14 1.61 0.04 -1.26 -2.73 135.00 132.50 1ut2 s PRO 43 Ca 0.00 -0.43 -0.01 0.00 0.04 0.00 0.00 61.00 60.61 1ut2 s PRO 43 Cb 0.00 0.10 -0.01 0.00 0.04 0.00 0.00 34.50 34.63 1ut2 s PRO 43 CO 0.00 -0.05 -0.12 0.08 0.04 0.00 0.00 177.00 176.95 1ut2 s VAL 44 N -1.10 3.05 -0.23 -0.36 1.01 -0.13 -4.94 120.40 117.69 1ut2 s VAL 44 Ca -0.12 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1ut2 s VAL 44 Cb -0.07 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1ut2 s VAL 44 CO -0.00 0.51 0.57 0.42 0.00 0.00 0.00 175.10 176.60 1ut2 s THR 45 N 0.53 5.04 0.05 3.92 -4.23 -1.26 -0.28 115.64 119.41 1ut2 s THR 45 Ca -0.08 1.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 1ut2 s THR 45 Cb -0.16 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1ut2 s THR 45 CO 0.04 0.10 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.42 1ut2 s VAL 46 N 2.12 3.36 -0.36 2.29 1.01 -0.08 -5.01 120.40 123.73 1ut2 s VAL 46 Ca 0.25 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1ut2 s VAL 46 Cb -0.16 -2.49 0.15 0.00 0.00 0.00 0.00 36.38 33.88 1ut2 s VAL 46 CO 0.09 0.28 0.33 -1.58 0.00 0.00 0.00 175.10 174.22 1ut2 s GLN 47 N -1.70 0.58 -0.12 2.72 2.00 -1.26 -1.95 119.66 119.92 1ut2 s GLN 47 Ca 0.18 -0.87 -0.19 0.00 -2.00 0.00 0.00 55.36 52.48 1ut2 s GLN 47 Cb -0.11 -0.84 -0.04 0.00 0.80 0.00 0.00 33.01 32.82 1ut2 s GLN 47 CO 0.09 -1.18 0.50 0.00 -0.50 0.00 0.00 175.29 174.20 1ut2 s ALA 48 N 1.47 3.47 -0.00 1.58 0.00 -0.13 -5.02 121.76 123.13 1ut2 s ALA 48 Ca 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1ut2 s ALA 48 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1ut2 s ALA 48 CO -0.06 -0.04 -0.09 -0.51 0.00 0.00 0.00 175.76 175.06 1ut2 s LEU 49 N 0.71 2.03 -0.20 0.00 1.43 -1.26 -4.04 118.68 117.34 1ut2 s LEU 49 Ca 0.27 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1ut2 s LEU 49 Cb -0.15 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.62 1ut2 s LEU 49 CO 0.11 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1ut2 n GLY 50 N 2.80 0.55 2.41 -3.19 0.00 -1.26 -4.92 105.19 101.57 1ut2 n GLY 50 Ca -0.14 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1ut2 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ut2 h ASN 52 N 2.28 0.00 0.00 0.00 4.21 -1.91 -1.21 115.58 118.94 1ut2 h ASN 52 Ca 0.54 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.05 1ut2 h ASN 52 Cb 0.78 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.98 1ut2 h ASN 52 CO 1.37 0.00 -0.03 0.00 -1.29 0.00 0.00 177.43 177.48 1ut2 n ALA 53 N -1.89 1.87 -2.46 -0.83 0.00 -1.26 -4.16 120.51 111.79 1ut2 n ALA 53 Ca 0.02 -1.21 -0.22 0.00 0.00 0.00 0.00 53.44 52.03 1ut2 n ALA 53 Cb 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 1ut2 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ut2 s ARG 54 N -1.11 1.69 -0.35 0.00 1.81 -1.17 -4.94 118.95 114.88 1ut2 s ARG 54 Ca 0.06 -1.96 -0.10 0.00 -1.72 0.00 0.00 55.73 52.01 1ut2 s ARG 54 Cb 0.05 -0.77 0.02 0.00 -0.45 0.00 0.00 34.95 33.80 1ut2 s ARG 54 CO 0.01 -0.26 0.17 -0.65 -0.68 0.00 0.00 175.30 173.89 1ut2 s GLN 55 N -3.87 2.93 0.31 3.54 -0.21 -1.26 -1.49 119.66 119.61 1ut2 s GLN 55 Ca 0.34 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.43 1ut2 s GLN 55 Cb 0.07 -3.63 -0.12 0.00 1.00 0.00 0.00 33.01 30.33 1ut2 s GLN 55 CO 0.15 -0.61 1.39 0.28 -2.12 0.00 0.00 175.29 174.38 1ut2 n VAL 56 N 4.96 1.57 -3.85 1.09 0.31 -1.26 -0.55 118.33 120.60 1ut2 n VAL 56 Ca -0.13 -0.39 -0.10 0.00 -0.01 0.00 0.00 64.34 63.71 1ut2 n VAL 56 Cb 0.47 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.66 1ut2 n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ut2 s ALA 57 N -0.66 -0.33 -0.06 3.52 0.00 0.10 -0.44 121.76 123.89 1ut2 s ALA 57 Ca 0.60 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1ut2 s ALA 57 Cb -0.57 0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1ut2 s ALA 57 CO 0.57 -0.39 -0.19 -0.51 0.00 0.00 0.00 175.76 175.24 1ut2 s LEU 58 N -2.26 1.92 -0.17 0.00 1.02 0.12 -2.12 118.68 117.19 1ut2 s LEU 58 Ca -0.03 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1ut2 s LEU 58 Cb 0.00 -1.09 0.00 0.00 0.02 0.00 0.00 46.19 45.12 1ut2 s LEU 58 CO -0.05 0.14 -0.16 -0.75 0.02 0.00 0.00 176.35 175.55 1ut2 s LYS 59 N 0.22 3.15 0.29 1.70 2.47 -0.12 0.16 119.74 127.61 1ut2 s LYS 59 Ca -0.10 -0.77 -0.13 0.00 -1.56 0.00 0.00 55.97 53.42 1ut2 s LYS 59 Cb -0.14 -2.63 -0.08 0.00 -1.46 0.00 0.00 37.83 33.51 1ut2 s LYS 59 CO 0.04 -0.08 0.66 0.00 0.16 0.00 0.00 175.35 176.14 1ut2 s ALA 60 N 1.03 3.42 0.74 3.13 0.00 -0.35 -0.16 121.76 129.57 1ut2 s ALA 60 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 1ut2 s ALA 60 Cb -0.15 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1ut2 s ALA 60 CO -0.04 0.40 0.97 -0.25 0.00 0.00 0.00 175.76 176.84 1ut2 n ASP 61 N -0.27 0.41 0.16 0.00 9.92 -0.98 -4.83 116.55 120.96 1ut2 n ASP 61 Ca 0.02 0.64 0.18 0.00 -0.53 0.00 0.00 54.79 55.10 1ut2 n ASP 61 Cb 0.53 -1.41 0.79 0.00 -0.64 0.00 0.00 41.12 40.39 1ut2 n ASP 61 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1ut2 h THR 62 N -0.40 0.50 -0.45 -3.53 1.35 -1.94 0.77 112.91 109.21 1ut2 h THR 62 Ca -0.47 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1ut2 h THR 62 Cb 1.33 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1ut2 h THR 62 CO 0.46 0.00 0.03 -0.90 -0.25 0.00 0.00 175.52 174.86 1ut2 n ASP 63 N -3.88 4.51 0.00 5.36 5.75 -1.26 -3.95 116.55 123.07 1ut2 n ASP 63 Ca 0.04 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 1ut2 n ASP 63 Cb 0.41 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1ut2 n ASP 63 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ut2 n ASN 64 N 0.39 1.07 -4.03 -1.12 3.02 0.26 -4.51 115.26 110.34 1ut2 n ASN 64 Ca 0.22 -1.33 -0.10 0.00 -0.03 0.00 0.00 54.58 53.35 1ut2 n ASN 64 Cb 0.99 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.10 1ut2 n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ut2 s PHE 65 N -0.33 0.52 0.00 3.10 -0.12 -1.24 -1.12 117.98 118.80 1ut2 s PHE 65 Ca 0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 1ut2 s PHE 65 Cb 0.00 0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1ut2 s PHE 65 CO 0.00 -0.90 0.00 -1.91 -0.05 0.00 0.00 175.22 172.36 1ut2 n GLU 66 N -0.35 0.00 -3.47 1.99 2.13 -0.29 -4.96 120.64 115.69 1ut2 n GLU 66 Ca -0.01 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.55 1ut2 n GLU 66 Cb 0.63 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.37 1ut2 n GLU 66 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1ut2 n GLN 67 N 0.00 -5.42 -2.46 5.31 3.00 -1.26 -1.38 117.38 115.17 1ut2 n GLN 67 Ca 0.00 0.71 -0.11 0.00 -0.01 0.00 0.00 57.00 57.59 1ut2 n GLN 67 Cb 0.00 -5.60 0.01 0.00 0.00 0.00 0.00 30.24 24.65 1ut2 n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ut2 n GLY 68 N -1.61 0.00 2.93 1.08 0.00 -1.26 -5.03 105.19 101.31 1ut2 n GLY 68 Ca -0.02 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1ut2 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ut2 s LYS 69 N -4.88 1.11 0.11 1.61 -0.14 -0.48 -5.04 119.74 112.03 1ut2 s LYS 69 Ca 0.09 -0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 54.45 1ut2 s LYS 69 Cb -0.04 -1.04 -0.05 0.00 -1.68 0.00 0.00 37.83 35.02 1ut2 s LYS 69 CO 0.11 -0.06 0.35 -0.06 -0.76 0.00 0.00 175.35 174.94 1ut2 s PHE 70 N 0.89 3.50 -0.10 3.18 0.40 -1.26 -1.14 117.98 123.45 1ut2 s PHE 70 Ca -0.11 0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 56.47 1ut2 s PHE 70 Cb -0.15 -2.00 0.10 0.00 0.51 0.00 0.00 43.02 41.48 1ut2 s PHE 70 CO 0.01 0.47 0.85 -0.59 0.70 0.00 0.00 175.22 176.66 1ut2 s PHE 71 N -1.58 -0.50 0.18 0.36 -0.12 -0.27 -1.41 117.98 114.64 1ut2 s PHE 71 Ca 0.38 0.83 -0.23 0.00 -0.05 0.00 0.00 56.93 57.86 1ut2 s PHE 71 Cb -0.12 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.62 1ut2 s PHE 71 CO 0.23 -0.47 0.75 -0.51 -0.05 0.00 0.00 175.22 175.17 1ut2 s LEU 72 N -1.21 4.50 -0.09 -1.99 1.02 0.43 -4.49 118.68 116.86 1ut2 s LEU 72 Ca -0.06 1.56 -0.03 0.00 0.02 0.00 0.00 54.13 55.62 1ut2 s LEU 72 Cb -0.00 -3.39 -0.03 0.00 0.02 0.00 0.00 46.19 42.79 1ut2 s LEU 72 CO 0.05 0.15 0.03 -0.51 0.02 0.00 0.00 176.35 176.09 1ut2 s ILE 73 N -1.28 4.56 0.66 -0.59 1.10 -0.02 -0.98 121.20 124.65 1ut2 s ILE 73 Ca 0.38 -0.15 -0.14 0.00 -0.51 0.00 0.00 60.65 60.23 1ut2 s ILE 73 Cb -0.21 -2.94 -0.01 0.00 0.15 0.00 0.00 42.46 39.46 1ut2 s ILE 73 CO 0.24 0.61 1.07 -0.55 -2.11 0.00 0.00 174.94 174.20 1ut2 s SER 74 N -0.88 5.37 0.30 4.50 0.15 0.57 -1.47 113.70 122.24 1ut2 s SER 74 Ca 0.13 1.81 0.18 0.00 0.70 0.00 0.00 55.95 58.77 1ut2 s SER 74 Cb -0.11 -2.53 0.96 0.00 -1.71 0.00 0.00 66.02 62.63 1ut2 s SER 74 CO 0.03 -1.45 1.51 0.47 1.20 0.00 0.00 173.24 174.99 1ut2 n ASP 75 N -2.57 0.46 -0.12 5.45 9.92 -0.65 0.48 116.55 129.51 1ut2 n ASP 75 Ca 0.09 0.68 0.13 0.00 -0.53 0.00 0.00 54.79 55.15 1ut2 n ASP 75 Cb 0.53 -0.71 0.32 0.00 -0.64 0.00 0.00 41.12 40.62 1ut2 n ASP 75 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1ut2 n ASN 76 N -2.14 0.75 -0.23 -2.24 2.04 -1.26 -4.92 115.26 107.25 1ut2 n ASN 76 Ca -0.01 -0.57 -0.03 0.00 -0.44 0.00 0.00 54.58 53.53 1ut2 n ASN 76 Cb 0.12 0.18 -0.01 0.00 -2.53 0.00 0.00 39.78 37.54 1ut2 n ASN 76 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ut2 n ASN 77 N -1.07 -4.24 -0.00 0.53 4.13 0.18 -4.86 115.26 109.92 1ut2 n ASN 77 Ca 0.09 0.08 -0.00 0.00 1.68 0.00 0.00 54.58 56.42 1ut2 n ASN 77 Cb 0.34 -2.01 -0.00 0.00 -1.54 0.00 0.00 39.78 36.57 1ut2 n ASN 77 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1ut2 n ARG 78 N -1.75 0.02 -1.76 3.52 5.12 -1.26 -4.91 116.66 115.64 1ut2 n ARG 78 Ca -0.03 0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.48 1ut2 n ARG 78 Cb 0.25 -0.28 -0.01 0.00 -1.16 0.00 0.00 32.46 31.26 1ut2 n ARG 78 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ut2 n ASP 79 N -2.61 3.88 -3.99 0.55 8.00 -1.26 -4.81 116.55 116.31 1ut2 n ASP 79 Ca -0.00 1.17 -0.15 0.00 0.71 0.00 0.00 54.79 56.51 1ut2 n ASP 79 Cb 0.02 -1.61 -0.14 0.00 -0.02 0.00 0.00 41.12 39.37 1ut2 n ASP 79 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1ut2 s LYS 80 N -0.95 0.47 -0.33 -1.24 -2.85 -1.26 -0.32 119.74 113.26 1ut2 s LYS 80 Ca 0.61 -0.36 -0.03 0.00 -1.00 0.00 0.00 55.97 55.18 1ut2 s LYS 80 Cb -0.49 -0.40 0.06 0.00 -2.06 0.00 0.00 37.83 34.95 1ut2 s LYS 80 CO 0.53 0.10 0.07 -1.17 0.10 0.00 0.00 175.35 174.98 1ut2 s LEU 81 N -0.56 4.29 0.03 2.77 2.96 -0.15 -4.92 118.68 123.11 1ut2 s LEU 81 Ca -0.01 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.19 1ut2 s LEU 81 Cb -0.04 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 1ut2 s LEU 81 CO -0.00 -0.34 1.41 -0.31 -1.32 0.00 0.00 176.35 175.80 1ut2 s TYR 82 N 1.27 2.91 0.23 5.38 1.51 -1.26 -0.43 117.35 126.96 1ut2 s TYR 82 Ca -0.02 0.82 0.05 0.00 -1.01 0.00 0.00 57.07 56.91 1ut2 s TYR 82 Cb -0.20 -3.69 -0.05 0.00 -0.11 0.00 0.00 41.96 37.91 1ut2 s TYR 82 CO -0.01 -2.52 -0.04 0.14 -1.11 0.00 0.00 175.55 172.02 1ut2 s VAL 83 N 2.11 1.25 -0.10 0.71 -7.23 -0.50 -0.12 120.40 116.51 1ut2 s VAL 83 Ca 0.65 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1ut2 s VAL 83 Cb -0.33 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1ut2 s VAL 83 CO 0.28 -0.37 -0.10 0.20 -0.31 0.00 0.00 175.10 174.80 1ut2 s ASN 84 N -3.33 4.35 -0.26 4.85 0.01 0.24 -4.17 114.94 116.62 1ut2 s ASN 84 Ca 0.27 -0.18 -0.09 0.00 -0.71 0.00 0.00 52.86 52.15 1ut2 s ASN 84 Cb 0.05 -1.40 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1ut2 s ASN 84 CO 0.09 0.25 0.14 -0.63 -1.51 0.00 0.00 177.10 175.43 1ut2 s ILE 85 N -0.14 4.88 -0.13 0.60 -1.09 -1.26 -1.91 121.20 122.14 1ut2 s ILE 85 Ca 0.00 0.02 -0.09 0.00 -2.23 0.00 0.00 60.65 58.35 1ut2 s ILE 85 Cb -0.13 -3.31 0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1ut2 s ILE 85 CO 0.03 0.29 0.33 0.00 -1.23 0.00 0.00 174.94 174.36 1ut2 s ARG 86 N 1.67 0.34 0.40 2.79 1.70 -0.72 -5.00 118.95 120.13 1ut2 s ARG 86 Ca 0.07 0.55 -0.25 0.00 -0.47 0.00 0.00 55.73 55.63 1ut2 s ARG 86 Cb -0.16 0.06 -0.08 0.00 -0.57 0.00 0.00 34.95 34.20 1ut2 s ARG 86 CO 0.08 -0.10 1.17 -1.25 -1.08 0.00 0.00 175.30 174.12 1ut2 s PRO 87 N 0.73 4.04 0.18 3.89 0.04 -1.26 0.72 135.00 143.33 1ut2 s PRO 87 Ca -0.05 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 1ut2 s PRO 87 Cb -0.06 -2.66 0.13 0.00 0.04 0.00 0.00 34.50 31.94 1ut2 s PRO 87 CO -0.05 -0.33 1.78 0.52 0.04 0.00 0.00 177.00 178.96 1ut2 h MET 88 N 2.61 0.44 -5.91 4.56 2.86 -0.79 -3.38 114.93 115.32 1ut2 h MET 88 Ca -0.49 -0.03 -0.58 0.00 -2.06 0.00 0.00 59.70 56.55 1ut2 h MET 88 Cb 1.23 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.73 1ut2 h MET 88 CO 0.62 0.29 0.27 0.16 1.06 0.00 0.00 176.91 179.32 1ut2 s ASP 89 N -5.46 6.91 0.00 1.22 1.47 -1.26 -4.90 116.67 114.65 1ut2 s ASP 89 Ca -0.13 1.11 0.00 0.00 1.18 0.00 0.00 52.55 54.71 1ut2 s ASP 89 Cb 0.13 -2.43 0.00 0.00 -0.34 0.00 0.00 42.92 40.29 1ut2 s ASP 89 CO 0.73 -0.32 0.74 0.59 0.68 0.00 0.00 175.17 177.60 1ut2 n ASN 90 N 4.90 0.00 -4.88 2.11 5.03 -1.26 -4.83 115.26 116.33 1ut2 n ASN 90 Ca 0.02 -1.63 -0.30 0.00 0.87 0.00 0.00 54.58 53.54 1ut2 n ASN 90 Cb 0.49 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1ut2 n ASN 90 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1ut2 s SER 91 N 3.95 6.28 -0.24 6.41 0.01 -1.26 -5.04 113.70 123.82 1ut2 s SER 91 Ca 0.00 1.28 -0.17 0.00 1.31 0.00 0.00 55.95 58.37 1ut2 s SER 91 Cb 0.00 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1ut2 s SER 91 CO 0.00 -0.75 0.46 0.00 0.41 0.00 0.00 173.24 173.36 1ut2 s ALA 92 N -2.98 3.57 0.27 1.44 0.00 -1.26 -4.86 121.76 117.95 1ut2 s ALA 92 Ca 0.53 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1ut2 s ALA 92 Cb -0.11 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 1ut2 s ALA 92 CO 0.49 -0.58 -0.04 -1.58 0.00 0.00 0.00 175.76 174.05 1ut2 s TRP 93 N 1.93 1.88 0.04 0.00 0.52 -1.26 -0.40 118.94 121.64 1ut2 s TRP 93 Ca 0.20 -0.76 0.06 0.00 0.02 0.00 0.00 56.10 55.62 1ut2 s TRP 93 Cb -0.15 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1ut2 s TRP 93 CO 0.09 0.20 -0.17 0.99 0.02 0.00 0.00 176.95 178.09 1ut2 s THR 94 N -3.11 1.32 -0.26 2.01 2.01 0.14 -4.80 115.64 112.95 1ut2 s THR 94 Ca 0.30 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 1ut2 s THR 94 Cb 0.04 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 1ut2 s THR 94 CO 0.11 0.10 0.02 -0.89 -0.69 0.00 0.00 174.62 173.27 1ut2 s THR 95 N -0.80 3.71 -0.37 -0.82 2.01 -1.26 -1.63 115.64 116.47 1ut2 s THR 95 Ca 0.04 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1ut2 s THR 95 Cb -0.08 -2.81 0.13 0.00 0.01 0.00 0.00 72.50 69.75 1ut2 s THR 95 CO 0.01 0.25 0.19 -0.62 -0.69 0.00 0.00 174.62 173.76 1ut2 s ASP 96 N 1.49 3.53 -0.65 3.53 3.68 0.52 -4.96 116.67 123.80 1ut2 s ASP 96 Ca 0.04 -2.14 -0.12 0.00 2.13 0.00 0.00 52.55 52.45 1ut2 s ASP 96 Cb -0.16 -0.74 0.02 0.00 -1.45 0.00 0.00 42.92 40.59 1ut2 s ASP 96 CO -0.00 -0.33 0.64 0.59 0.13 0.00 0.00 175.17 176.20 1ut2 n ASN 97 N 4.15 -6.13 0.00 -0.34 4.13 -1.26 -2.24 115.26 113.57 1ut2 n ASN 97 Ca 0.06 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.98 1ut2 n ASN 97 Cb 0.38 -3.03 0.00 0.00 -1.54 0.00 0.00 39.78 35.59 1ut2 n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ut2 n GLY 98 N -1.10 1.83 3.50 7.41 0.00 -1.26 -4.98 105.19 110.57 1ut2 n GLY 98 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1ut2 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ut2 s VAL 99 N -2.90 4.10 -0.42 1.61 1.01 -0.95 -1.21 120.40 121.64 1ut2 s VAL 99 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1ut2 s VAL 99 Cb 0.00 -2.84 0.11 0.00 0.00 0.00 0.00 36.38 33.65 1ut2 s VAL 99 CO 0.00 0.45 0.19 0.12 0.00 0.00 0.00 175.10 175.86 1ut2 s PHE 100 N 0.72 3.59 0.13 5.22 5.36 0.12 -0.35 117.98 132.78 1ut2 s PHE 100 Ca 0.00 -2.66 0.09 0.00 -0.96 0.00 0.00 56.93 53.40 1ut2 s PHE 100 Cb -0.14 -3.12 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 1ut2 s PHE 100 CO 0.02 -0.94 -0.18 1.52 -1.46 0.00 0.00 175.22 174.19 1ut2 s TYR 101 N 0.84 2.52 0.29 10.12 1.13 -0.65 0.14 117.35 131.74 1ut2 s TYR 101 Ca 0.11 -0.27 -0.29 0.00 -1.41 0.00 0.00 57.07 55.20 1ut2 s TYR 101 Cb -0.22 -1.31 -0.10 0.00 -1.10 0.00 0.00 41.96 39.23 1ut2 s TYR 101 CO -0.05 0.41 1.20 0.21 -2.51 0.00 0.00 175.55 174.81 1ut2 s LYS 102 N -2.28 4.50 0.00 -3.49 2.20 0.41 0.28 119.74 121.36 1ut2 s LYS 102 Ca 0.19 1.99 0.18 0.00 -0.36 0.00 0.00 55.97 57.97 1ut2 s LYS 102 Cb -0.10 -3.14 0.88 0.00 -1.51 0.00 0.00 37.83 33.96 1ut2 s LYS 102 CO 0.11 0.01 1.52 0.09 -0.36 0.00 0.00 175.35 176.72 1ut2 n ASN 103 N 1.15 0.00 -4.20 1.43 5.03 0.47 -4.69 115.26 114.44 1ut2 n ASN 103 Ca -0.00 0.05 -0.16 0.00 0.87 0.00 0.00 54.58 55.33 1ut2 n ASN 103 Cb 0.43 -0.29 -0.11 0.00 -1.02 0.00 0.00 39.78 38.79 1ut2 n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1ut2 s ASP 104 N -2.58 1.71 0.52 6.41 1.01 -1.26 -5.08 116.67 117.39 1ut2 s ASP 104 Ca 0.16 -0.78 -0.07 0.00 0.71 0.00 0.00 52.55 52.58 1ut2 s ASP 104 Cb 0.12 -0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 1ut2 s ASP 104 CO 0.27 -0.18 0.85 0.68 0.21 0.00 0.00 175.17 176.99 1ut2 s VAL 105 N -2.12 4.81 0.00 -1.27 -7.23 -1.26 -4.45 120.40 108.89 1ut2 s VAL 105 Ca 0.06 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1ut2 s VAL 105 Cb -0.05 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.04 1ut2 s VAL 105 CO 0.02 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 1ut2 n GLY 106 N -2.39 4.12 3.28 2.32 0.00 -0.48 -4.94 105.19 107.09 1ut2 n GLY 106 Ca 0.02 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1ut2 n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ut2 n SER 107 N 0.00 4.52 -4.75 1.61 7.64 -1.05 -4.43 113.62 117.16 1ut2 n SER 107 Ca 0.00 -2.89 -0.32 0.00 1.01 0.00 0.00 58.87 56.68 1ut2 n SER 107 Cb 0.00 -1.71 0.10 0.00 -1.01 0.00 0.00 64.21 61.58 1ut2 n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1ut2 s TRP 108 N 3.99 2.39 -0.28 1.43 -0.00 -1.26 -4.72 118.94 120.49 1ut2 s TRP 108 Ca 0.52 1.60 -0.16 0.00 -0.00 0.00 0.00 56.10 58.06 1ut2 s TRP 108 Cb 0.07 -3.14 0.09 0.00 -0.00 0.00 0.00 33.47 30.49 1ut2 s TRP 108 CO 0.02 -2.00 0.71 0.20 -0.00 0.00 0.00 176.95 175.88 1ut2 s GLY 109 N -3.05 -0.59 0.00 5.86 0.00 -1.26 -0.95 107.32 107.33 1ut2 s GLY 109 Ca 0.64 2.49 0.00 0.00 0.00 0.00 0.00 44.72 47.85 1ut2 s GLY 109 CO 0.53 2.44 0.00 0.61 0.00 0.00 0.00 173.10 176.68 1ut2 n GLY 110 N 4.29 -0.56 3.53 0.20 0.00 -0.82 -5.01 105.19 106.82 1ut2 n GLY 110 Ca -0.20 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1ut2 n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ut2 s THR 111 N -3.12 3.59 -0.35 2.61 2.01 -1.26 -0.90 115.64 118.21 1ut2 s THR 111 Ca 0.00 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1ut2 s THR 111 Cb 0.00 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1ut2 s THR 111 CO 0.00 0.57 0.14 -0.63 -0.69 0.00 0.00 174.62 174.01 1ut2 s ILE 112 N -0.47 4.06 0.23 1.82 -1.09 0.62 0.00 121.20 126.38 1ut2 s ILE 112 Ca 0.07 -1.00 -0.30 0.00 -2.23 0.00 0.00 60.65 57.19 1ut2 s ILE 112 Cb -0.12 -3.27 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1ut2 s ILE 112 CO 0.02 -0.17 0.96 -0.83 -1.23 0.00 0.00 174.94 173.69 1ut2 s GLY 113 N 1.46 3.10 -0.23 6.18 0.00 0.22 -0.96 107.32 117.09 1ut2 s GLY 113 Ca -0.00 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 1ut2 s GLY 113 CO 0.04 1.26 -0.06 -0.42 0.00 0.00 0.00 173.10 173.92 1ut2 s ILE 114 N -1.04 3.10 0.14 0.90 -1.09 -1.11 -1.75 121.20 120.35 1ut2 s ILE 114 Ca 0.42 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 58.23 1ut2 s ILE 114 Cb -0.26 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1ut2 s ILE 114 CO 0.33 0.36 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.89 1ut2 s TYR 115 N 1.42 1.84 0.08 3.97 2.02 -0.80 0.19 117.35 126.06 1ut2 s TYR 115 Ca 0.04 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1ut2 s TYR 115 Cb -0.15 -0.96 -0.07 0.00 -0.40 0.00 0.00 41.96 40.38 1ut2 s TYR 115 CO -0.05 0.28 1.40 0.08 -1.57 0.00 0.00 175.55 175.70 1ut2 s VAL 116 N -1.60 3.43 -0.83 0.71 1.01 0.24 0.81 120.40 124.18 1ut2 s VAL 116 Ca 0.12 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 1ut2 s VAL 116 Cb -0.08 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.82 1ut2 s VAL 116 CO 0.06 0.05 0.97 -0.62 0.00 0.00 0.00 175.10 175.55 1ut2 s ASP 117 N 1.42 6.54 0.00 3.32 2.15 0.82 -0.80 116.67 130.12 1ut2 s ASP 117 Ca 0.65 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 51.64 1ut2 s ASP 117 Cb -0.35 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1ut2 s ASP 117 CO 0.29 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1ut2 n GLY 118 N 5.12 -1.75 3.67 2.66 0.00 -1.26 -4.78 105.19 108.85 1ut2 n GLY 118 Ca 0.14 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 1ut2 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ut2 n GLN 119 N -0.21 2.54 -2.83 1.61 -0.00 -1.26 -4.38 117.38 112.85 1ut2 n GLN 119 Ca 0.00 0.93 -0.19 0.00 -0.00 0.00 0.00 57.00 57.74 1ut2 n GLN 119 Cb 0.00 -2.83 -0.01 0.00 -0.00 0.00 0.00 30.24 27.41 1ut2 n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1ut2 n GLN 120 N 6.80 1.95 0.00 2.61 6.02 -0.38 -4.88 117.38 129.50 1ut2 n GLN 120 Ca 0.21 -3.85 0.08 0.00 -0.01 0.00 0.00 57.00 53.43 1ut2 n GLN 120 Cb 0.35 -1.77 0.50 0.00 1.02 0.00 0.00 30.24 30.34 1ut2 n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ut2 n THR 121 N -0.08 0.00 0.41 5.09 -2.24 -1.23 -2.19 114.28 114.05 1ut2 n THR 121 Ca 0.24 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1ut2 n THR 121 Cb 0.66 -0.71 0.18 0.00 -2.10 0.00 0.00 70.33 68.36 1ut2 n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ut2 n ASN 122 N -0.98 3.26 -4.68 3.42 3.02 -1.26 -4.41 115.26 113.63 1ut2 n ASN 122 Ca 0.13 -1.96 -0.47 0.00 -0.03 0.00 0.00 54.58 52.25 1ut2 n ASN 122 Cb 0.06 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 1ut2 n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ut2 n THR 123 N 1.36 0.49 -1.75 3.41 -1.04 -0.93 -4.90 114.28 110.92 1ut2 n THR 123 Ca 0.17 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.05 61.69 1ut2 n THR 123 Cb 0.57 -1.90 0.02 0.00 -1.82 0.00 0.00 70.33 67.20 1ut2 n THR 123 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ut2 n PRO 124 N 6.14 2.21 -1.35 -2.82 -0.04 -1.26 -4.80 135.00 133.08 1ut2 n PRO 124 Ca 0.21 0.79 -0.34 0.00 -0.04 0.00 0.00 63.50 64.11 1ut2 n PRO 124 Cb 0.32 -2.58 0.10 0.00 -0.04 0.00 0.00 33.50 31.30 1ut2 n PRO 124 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1ut2 s PRO 125 N -2.38 1.99 0.00 0.54 0.02 -1.26 -4.86 135.00 129.05 1ut2 s PRO 125 Ca 0.61 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1ut2 s PRO 125 Cb -0.46 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1ut2 s PRO 125 CO 0.58 -1.96 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 1ut2 n GLY 126 N 0.53 -0.54 3.27 0.52 0.00 -0.81 -4.94 105.19 103.22 1ut2 n GLY 126 Ca 0.14 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1ut2 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ut2 s ASN 127 N -4.00 5.15 0.05 1.61 0.01 -1.26 -0.51 114.94 115.99 1ut2 s ASN 127 Ca 0.00 -1.04 0.01 0.00 -0.71 0.00 0.00 52.86 51.12 1ut2 s ASN 127 Cb 0.00 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 1ut2 s ASN 127 CO 0.00 -0.27 0.11 -0.31 -1.51 0.00 0.00 177.10 175.12 1ut2 s TYR 128 N 1.40 3.30 0.04 2.20 2.02 0.12 -1.63 117.35 124.80 1ut2 s TYR 128 Ca -0.01 0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1ut2 s TYR 128 Cb -0.19 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1ut2 s TYR 128 CO 0.02 0.55 -0.02 0.99 -1.57 0.00 0.00 175.55 175.52 1ut2 s THR 129 N -1.36 0.19 -0.21 -0.71 2.01 -0.55 -0.82 115.64 114.19 1ut2 s THR 129 Ca 0.29 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.72 1ut2 s THR 129 Cb -0.12 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.32 1ut2 s THR 129 CO 0.21 -0.84 0.17 -0.22 -0.69 0.00 0.00 174.62 173.25 1ut2 s LEU 130 N -2.49 0.12 -0.11 4.42 2.96 -0.26 -0.84 118.68 122.47 1ut2 s LEU 130 Ca 0.00 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.22 1ut2 s LEU 130 Cb 0.03 0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 1ut2 s LEU 130 CO -0.07 -0.36 0.31 -0.89 -1.32 0.00 0.00 176.35 174.02 1ut2 s THR 131 N 2.24 5.26 -0.04 3.68 2.01 -1.26 -0.89 115.64 126.64 1ut2 s THR 131 Ca 0.06 0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1ut2 s THR 131 Cb -0.16 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1ut2 s THR 131 CO -0.17 0.46 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.37 1ut2 s LEU 132 N -0.09 1.70 -0.07 4.42 1.43 -0.08 -2.31 118.68 123.67 1ut2 s LEU 132 Ca 0.19 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1ut2 s LEU 132 Cb -0.14 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 1ut2 s LEU 132 CO 0.07 0.05 -0.13 -0.89 0.23 0.00 0.00 176.35 175.67 1ut2 s THR 133 N 0.37 3.11 0.63 5.49 2.01 0.78 0.10 115.64 128.13 1ut2 s THR 133 Ca -0.06 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.11 1ut2 s THR 133 Cb -0.11 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1ut2 s THR 133 CO 0.01 0.57 1.06 -0.83 -0.69 0.00 0.00 174.62 174.75 1ut2 s GLY 134 N -0.42 2.02 0.00 4.40 0.00 -0.66 -0.94 107.32 111.72 1ut2 s GLY 134 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1ut2 s GLY 134 CO 0.02 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1ut2 n GLY 135 N -1.13 -2.27 3.44 0.20 0.00 -0.90 -1.90 105.19 102.63 1ut2 n GLY 135 Ca 0.09 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1ut2 n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ut2 s TYR 136 N -2.27 2.21 -0.13 1.61 1.13 -0.66 0.03 117.35 119.27 1ut2 s TYR 136 Ca 0.00 -0.37 -0.04 0.00 -1.41 0.00 0.00 57.07 55.26 1ut2 s TYR 136 Cb 0.00 -0.99 -0.03 0.00 -1.10 0.00 0.00 41.96 39.84 1ut2 s TYR 136 CO 0.00 0.62 0.00 -0.46 -2.51 0.00 0.00 175.55 173.21 1ut2 s TRP 137 N -2.39 3.14 0.00 -3.49 -0.11 0.28 -0.70 118.94 115.67 1ut2 s TRP 137 Ca 0.27 0.03 0.00 0.00 1.22 0.00 0.00 56.10 57.62 1ut2 s TRP 137 Cb -0.05 -1.90 0.00 0.00 -1.50 0.00 0.00 33.47 30.02 1ut2 s TRP 137 CO 0.13 0.26 0.04 0.00 -4.62 0.00 0.00 176.95 172.76