#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 0.36 -0.15 1.61 1.04 0.27 -4.96 113.70 111.87 1ut2 s SER 1 Ca 0.00 -0.79 -0.14 0.00 0.48 0.00 0.00 55.95 55.50 1ut2 s SER 1 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 1ut2 s SER 1 CO 0.00 -0.53 0.29 0.12 0.98 0.00 0.00 173.24 174.10 1ut2 s PHE 2 N -3.18 3.47 -0.30 5.02 2.19 -1.26 -2.04 117.98 121.88 1ut2 s PHE 2 Ca 0.00 0.61 -0.07 0.00 0.33 0.00 0.00 56.93 57.80 1ut2 s PHE 2 Cb 0.03 -2.33 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 1ut2 s PHE 2 CO -0.07 0.27 0.09 0.99 1.83 0.00 0.00 175.22 178.33 1ut2 s THR 3 N 0.37 4.05 -0.07 0.12 2.01 0.12 -4.98 115.64 117.26 1ut2 s THR 3 Ca 0.17 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1ut2 s THR 3 Cb -0.13 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 1ut2 s THR 3 CO 0.04 0.06 1.78 -2.84 -0.69 0.00 0.00 174.62 172.97 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 0.82 0.45 -0.33 0.00 0.00 177.00 176.93 1ut2 n SER 5 N 7.81 -2.89 0.00 2.53 2.88 -0.80 -4.94 113.62 118.21 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 1.99 -1.36 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 -4.55 115.64 109.04 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 70.32 1ut2 s THR 7 CO 0.00 -0.36 0.09 -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 -1.65 115.64 120.97 1ut2 s THR 8 Ca 0.49 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.46 1ut2 s THR 8 Cb -0.10 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 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 1.32 1.33 -0.03 4.40 0.00 0.12 -4.94 107.32 109.53 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 -1.36 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 4.10 -0.21 5.08 2.01 -0.07 -4.93 115.64 122.34 1ut2 s THR 11 Ca -0.06 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.65 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 -0.03 -0.35 0.04 -0.54 -0.69 0.00 0.00 174.62 173.05 1ut2 s LYS 12 N 1.43 3.73 -0.05 4.92 1.02 -1.26 -1.09 119.74 128.43 1ut2 s LYS 12 Ca 0.01 -0.46 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1ut2 s LYS 12 Cb -0.21 -3.19 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1ut2 s LYS 12 CO 0.03 0.03 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.15 1ut2 s LEU 13 N 1.00 1.90 -0.27 3.17 2.96 0.03 -4.05 118.68 123.43 1ut2 s LEU 13 Ca 0.03 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1ut2 s LEU 13 Cb -0.14 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 1ut2 s LEU 13 CO 0.02 0.14 0.08 -0.89 -1.32 0.00 0.00 176.35 174.39 1ut2 s THR 14 N 0.11 4.23 -0.19 3.68 2.01 -0.30 -0.43 115.64 124.75 1ut2 s THR 14 Ca -0.06 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 1ut2 s THR 14 Cb -0.12 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1ut2 s THR 14 CO 0.03 0.24 0.48 -0.69 -0.69 0.00 0.00 174.62 173.99 1ut2 s VAL 15 N 1.58 5.14 0.21 3.82 1.01 -0.19 -0.40 120.40 131.57 1ut2 s VAL 15 Ca 0.05 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.97 1ut2 s VAL 15 Cb -0.16 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1ut2 s VAL 15 CO 0.03 0.22 -0.03 0.42 0.00 0.00 0.00 175.10 175.74 1ut2 s THR 16 N 1.39 1.10 0.97 3.92 -4.23 -0.22 -1.72 115.64 116.85 1ut2 s THR 16 Ca 0.23 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1ut2 s THR 16 Cb -0.15 -2.21 0.18 0.00 1.34 0.00 0.00 72.50 71.66 1ut2 s THR 16 CO 0.09 -0.44 1.19 -1.61 -0.54 0.00 0.00 174.62 173.32 1ut2 s GLU 17 N -3.82 0.66 0.54 3.99 0.41 -1.26 -1.98 118.70 117.23 1ut2 s GLU 17 Ca 0.25 -0.01 0.40 0.00 -0.41 0.00 0.00 54.97 55.20 1ut2 s GLU 17 Cb 0.05 -1.81 1.59 0.00 -1.78 0.00 0.00 34.13 32.18 1ut2 s GLU 17 CO 0.07 -2.47 1.74 0.93 -0.49 0.00 0.00 175.26 175.04 1ut2 h GLU 18 N -1.69 0.01 -3.38 1.61 4.39 -1.98 -3.01 114.58 110.53 1ut2 h GLU 18 Ca -0.47 -0.00 -0.77 0.00 0.34 0.00 0.00 59.36 58.46 1ut2 h GLU 18 Cb 1.30 -0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.64 1ut2 h GLU 18 CO 0.50 0.01 0.33 0.00 -1.16 0.00 0.00 179.01 178.69 1ut2 s GLN 20 N -1.54 4.46 -0.38 0.00 -2.07 -1.14 -5.03 119.66 113.96 1ut2 s GLN 20 Ca 0.30 1.00 0.00 0.00 -1.82 0.00 0.00 55.36 54.85 1ut2 s GLN 20 Cb -0.07 -3.45 0.11 0.00 -1.09 0.00 0.00 33.01 28.51 1ut2 s GLN 20 CO -0.07 0.03 0.14 0.08 -1.32 0.00 0.00 175.29 174.15 1ut2 s VAL 21 N 0.87 2.82 -0.69 3.63 1.01 -1.26 -5.07 120.40 121.71 1ut2 s VAL 21 Ca 0.41 -2.24 -0.27 0.00 0.00 0.00 0.00 61.98 59.88 1ut2 s VAL 21 Cb -0.18 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1ut2 s VAL 21 CO 0.20 -0.66 1.41 -0.13 0.00 0.00 0.00 175.10 175.93 1ut2 s ARG 22 N 0.97 3.09 -0.24 2.72 1.81 -1.26 -4.98 118.95 121.06 1ut2 s ARG 22 Ca 0.10 0.01 -0.19 0.00 -1.72 0.00 0.00 55.73 53.93 1ut2 s ARG 22 Cb -0.21 -4.21 -0.03 0.00 -0.45 0.00 0.00 34.95 30.05 1ut2 s ARG 22 CO -0.06 -2.24 0.56 0.08 -0.68 0.00 0.00 175.30 172.96 1ut2 s VAL 23 N 6.45 5.05 0.00 3.52 1.01 -1.26 -4.83 120.40 130.34 1ut2 s VAL 23 Ca 0.44 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1ut2 s VAL 23 Cb -0.09 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1ut2 s VAL 23 CO 0.17 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1ut2 n GLY 24 N 4.13 0.20 0.00 4.51 0.00 -1.26 -5.02 105.19 107.75 1ut2 n GLY 24 Ca -0.03 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1ut2 n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ut2 n ASP 25 N 0.00 0.00 -3.62 1.61 -0.08 -1.26 -5.04 116.55 108.15 1ut2 n ASP 25 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1ut2 n ASP 25 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1ut2 n ASP 25 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1ut2 s LEU 26 N 0.00 1.28 0.00 -2.67 1.98 -1.26 -5.22 118.68 112.78 1ut2 s LEU 26 Ca 0.00 -1.52 -0.10 0.00 -2.89 0.00 0.00 54.13 49.62 1ut2 s LEU 26 Cb 0.00 0.83 0.04 0.00 0.66 0.00 0.00 46.19 47.72 1ut2 s LEU 26 CO 0.00 -1.06 0.52 0.35 -1.89 0.00 0.00 176.35 174.27 1ut2 n THR 27 N -0.49 0.00 -3.41 3.68 -2.24 -1.26 -5.09 114.28 105.47 1ut2 n THR 27 Ca 0.04 -0.63 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 1ut2 n THR 27 Cb 0.63 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 1ut2 n THR 27 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ut2 s VAL 28 N -2.40 5.36 -0.03 2.28 1.01 -1.26 -5.04 120.40 120.32 1ut2 s VAL 28 Ca 0.11 -2.91 -0.14 0.00 0.00 0.00 0.00 61.98 59.03 1ut2 s VAL 28 Cb -0.03 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1ut2 s VAL 28 CO 0.07 -1.06 0.37 0.00 0.00 0.00 0.00 175.10 174.49 1ut2 s ALA 29 N -0.38 3.70 -0.08 5.51 0.00 -1.26 -1.15 121.76 128.10 1ut2 s ALA 29 Ca 0.22 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1ut2 s ALA 29 Cb -0.11 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.68 1ut2 s ALA 29 CO -0.08 0.44 0.21 0.21 0.00 0.00 0.00 175.76 176.54 1ut2 s LYS 30 N -0.87 0.22 0.40 0.00 2.20 0.47 -4.93 119.74 117.23 1ut2 s LYS 30 Ca 0.22 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.95 1ut2 s LYS 30 Cb -0.16 0.04 -0.11 0.00 -1.51 0.00 0.00 37.83 36.10 1ut2 s LYS 30 CO 0.11 -0.07 0.95 0.95 -0.36 0.00 0.00 175.35 176.93 1ut2 s THR 31 N 0.44 4.34 0.48 3.43 -4.23 -1.25 -1.06 115.64 117.79 1ut2 s THR 31 Ca -0.03 1.59 0.28 0.00 -1.18 0.00 0.00 61.69 62.36 1ut2 s THR 31 Cb -0.04 -3.73 0.48 0.00 1.34 0.00 0.00 72.50 70.55 1ut2 s THR 31 CO -0.02 -0.18 1.80 0.03 -0.54 0.00 0.00 174.62 175.71 1ut2 h ARG 32 N 2.30 0.16 -0.64 3.99 3.08 -1.68 0.47 114.38 122.06 1ut2 h ARG 32 Ca -0.48 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1ut2 h ARG 32 Cb 1.18 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1ut2 h ARG 32 CO 0.62 0.11 0.34 0.78 -1.07 0.00 0.00 179.97 180.75 1ut2 h GLY 33 N 0.16 0.94 1.84 0.04 0.00 -1.86 -1.41 103.07 102.79 1ut2 h GLY 33 Ca 0.56 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ut2 h GLY 33 CO -0.13 0.40 0.00 -1.06 0.00 0.00 0.00 176.54 175.75 1ut2 n GLN 34 N -4.38 0.13 -0.63 4.80 6.02 0.16 -4.06 117.38 119.43 1ut2 n GLN 34 Ca 0.06 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.08 1ut2 n GLN 34 Cb 0.10 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 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 4.70 -4.85 1.08 4.77 -0.53 -4.81 117.00 115.94 1ut2 n LEU 35 Ca 0.08 -2.44 -0.29 0.00 -0.03 0.00 0.00 56.01 53.33 1ut2 n LEU 35 Cb 0.25 -1.11 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 0.00 177.39 178.58 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 70.99 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 6.20 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 1.10 -2.71 0.00 0.00 -0.91 -4.45 120.51 114.19 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 16.98 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 2.65 4.52 0.00 0.00 0.04 -1.26 0.82 135.00 141.77 1ut2 s PRO 40 Ca 0.86 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ut2 s PRO 40 Cb -0.68 -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 3.00 7.39 0.00 -1.26 -4.92 105.19 115.88 1ut2 n GLY 42 Ca 0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.30 0.33 -0.16 1.61 0.04 -1.26 -2.73 135.00 132.53 1ut2 s PRO 43 Ca 0.00 -0.54 -0.01 0.00 0.04 0.00 0.00 61.00 60.49 1ut2 s PRO 43 Cb 0.00 0.12 -0.01 0.00 0.04 0.00 0.00 34.50 34.65 1ut2 s PRO 43 CO 0.00 -0.06 -0.13 0.08 0.04 0.00 0.00 177.00 176.93 1ut2 s VAL 44 N -1.37 2.92 -0.22 -0.36 1.01 0.13 -4.94 120.40 117.57 1ut2 s VAL 44 Ca -0.15 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1ut2 s VAL 44 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1ut2 s VAL 44 CO -0.00 0.50 0.48 0.42 0.00 0.00 0.00 175.10 176.50 1ut2 s THR 45 N 0.76 5.12 -0.01 3.92 -4.23 -1.26 0.14 115.64 120.08 1ut2 s THR 45 Ca -0.05 0.86 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 1ut2 s THR 45 Cb -0.15 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 1ut2 s THR 45 CO 0.01 0.17 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.46 1ut2 s VAL 46 N 1.73 3.26 -0.34 2.29 1.01 0.15 -4.98 120.40 123.51 1ut2 s VAL 46 Ca 0.22 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1ut2 s VAL 46 Cb -0.15 -2.36 0.14 0.00 0.00 0.00 0.00 36.38 34.00 1ut2 s VAL 46 CO 0.09 0.45 0.28 -1.58 0.00 0.00 0.00 175.10 174.34 1ut2 s GLN 47 N -1.19 0.52 -0.15 2.72 2.00 -1.26 -0.94 119.66 121.36 1ut2 s GLN 47 Ca 0.15 -0.89 -0.16 0.00 -2.00 0.00 0.00 55.36 52.45 1ut2 s GLN 47 Cb -0.11 -0.96 -0.04 0.00 0.80 0.00 0.00 33.01 32.70 1ut2 s GLN 47 CO 0.05 -1.16 0.41 0.00 -0.50 0.00 0.00 175.29 174.09 1ut2 s ALA 48 N 1.51 3.53 -0.00 1.58 0.00 0.09 -5.01 121.76 123.45 1ut2 s ALA 48 Ca 0.15 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.81 1ut2 s ALA 48 Cb -0.18 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1ut2 s ALA 48 CO -0.09 -0.05 -0.11 -0.51 0.00 0.00 0.00 175.76 175.00 1ut2 s LEU 49 N 0.77 2.04 -0.40 0.00 1.43 -1.26 -3.83 118.68 117.41 1ut2 s LEU 49 Ca 0.22 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1ut2 s LEU 49 Cb -0.14 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1ut2 s LEU 49 CO 0.08 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1ut2 n GLY 50 N 2.72 0.67 2.30 -3.19 0.00 -1.26 -4.92 105.19 101.52 1ut2 n GLY 50 Ca -0.14 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 2.12 0.00 0.00 0.00 4.21 -1.91 -2.15 115.58 117.85 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 0.93 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.13 1ut2 h ASN 52 CO 1.38 0.03 0.00 0.00 -1.29 0.00 0.00 177.43 177.55 1ut2 n ALA 53 N -2.11 1.91 -2.74 -0.83 0.00 -1.26 -3.95 120.51 111.52 1ut2 n ALA 53 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 53.44 52.30 1ut2 n ALA 53 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.67 2.19 -0.29 0.00 1.81 -1.18 -4.88 118.95 115.93 1ut2 s ARG 54 Ca 0.00 -2.41 -0.02 0.00 -1.72 0.00 0.00 55.73 51.58 1ut2 s ARG 54 Cb 0.00 -1.34 0.04 0.00 -0.45 0.00 0.00 34.95 33.20 1ut2 s ARG 54 CO 0.00 -0.43 -0.00 -0.65 -0.68 0.00 0.00 175.30 173.53 1ut2 s GLN 55 N -3.86 2.59 0.31 3.54 -0.21 -1.26 -1.41 119.66 119.37 1ut2 s GLN 55 Ca 0.05 -1.16 -0.29 0.00 0.02 0.00 0.00 55.36 53.98 1ut2 s GLN 55 Cb 0.00 -3.16 -0.12 0.00 1.00 0.00 0.00 33.01 30.73 1ut2 s GLN 55 CO 0.03 -0.55 1.39 0.28 -2.12 0.00 0.00 175.29 174.31 1ut2 n VAL 56 N 4.67 1.58 -3.85 1.09 0.31 -1.26 -0.66 118.33 120.21 1ut2 n VAL 56 Ca -0.14 -0.40 -0.10 0.00 -0.01 0.00 0.00 64.34 63.69 1ut2 n VAL 56 Cb 0.45 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.65 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 -0.67 -0.34 -0.06 3.52 0.00 0.10 -1.12 121.76 123.20 1ut2 s ALA 57 Ca 0.60 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.25 1ut2 s ALA 57 Cb -0.57 0.32 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 -2.25 1.92 -0.17 0.00 1.02 -0.73 -2.12 118.68 116.35 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 0.21 3.15 0.28 1.70 2.47 -0.11 -0.28 119.74 127.17 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 -0.07 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 -0.34 -0.16 121.76 129.58 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 0.96 -0.25 0.00 0.00 0.00 175.76 176.83 1ut2 n ASP 61 N -0.27 0.39 0.16 0.00 9.92 -0.98 -4.83 116.55 120.95 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 -1.40 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 -0.39 0.50 -0.45 -3.53 1.35 -1.95 0.79 112.91 109.24 1ut2 h THR 62 Ca -0.47 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1ut2 h THR 62 Cb 1.33 0.79 -0.01 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 4.50 0.00 5.36 5.75 -1.26 -3.93 116.55 123.09 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 1.00 -3.64 -1.12 3.02 0.27 -4.51 115.26 110.67 1ut2 n ASN 64 Ca 0.22 -1.26 -0.15 0.00 -0.03 0.00 0.00 54.58 53.37 1ut2 n ASN 64 Cb 0.99 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.09 1ut2 n ASN 64 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ut2 s PHE 65 N -0.26 -0.37 -0.30 3.10 5.36 -1.24 -1.12 117.98 123.15 1ut2 s PHE 65 Ca 0.00 0.55 -0.16 0.00 -0.96 0.00 0.00 56.93 56.36 1ut2 s PHE 65 Cb 0.00 0.25 0.17 0.00 -0.34 0.00 0.00 43.02 43.10 1ut2 s PHE 65 CO 0.00 -0.53 1.07 -2.00 -1.46 0.00 0.00 175.22 172.30 1ut2 s GLU 66 N -1.66 0.22 -0.94 10.12 2.12 -0.60 -4.93 118.70 123.03 1ut2 s GLU 66 Ca -0.10 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1ut2 s GLU 66 Cb -0.02 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1ut2 s GLU 66 CO 0.04 -0.08 0.00 1.04 -0.54 0.00 0.00 175.26 175.71 1ut2 n GLN 67 N 4.89 -0.84 -1.49 4.30 3.00 -1.26 -2.91 117.38 123.07 1ut2 n GLN 67 Ca -0.08 0.56 -0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1ut2 n GLN 67 Cb 0.53 -4.64 -0.00 0.00 0.00 0.00 0.00 30.24 26.14 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 -1.08 0.38 3.03 1.08 0.00 -1.26 -5.05 105.19 102.30 1ut2 n GLY 68 Ca -0.13 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.99 1.82 0.11 1.61 -0.14 -1.15 -5.03 119.74 113.99 1ut2 s LYS 69 Ca 0.00 -0.45 -0.05 0.00 -1.36 0.00 0.00 55.97 54.11 1ut2 s LYS 69 Cb 0.00 -1.51 -0.05 0.00 -1.68 0.00 0.00 37.83 34.59 1ut2 s LYS 69 CO 0.00 0.02 0.35 -0.06 -0.76 0.00 0.00 175.35 174.90 1ut2 s PHE 70 N 0.71 3.50 -0.10 3.18 0.40 -1.26 -1.56 117.98 122.85 1ut2 s PHE 70 Ca -0.14 0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 56.45 1ut2 s PHE 70 Cb -0.16 -2.00 0.10 0.00 0.51 0.00 0.00 43.02 41.47 1ut2 s PHE 70 CO 0.03 0.48 0.85 -0.59 0.70 0.00 0.00 175.22 176.69 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 -4.49 118.68 116.85 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 -3.38 -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 -0.98 121.20 124.64 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 -2.93 -0.00 0.00 0.15 0.00 0.00 42.46 39.46 1ut2 s ILE 73 CO 0.24 0.60 1.07 -0.55 -2.11 0.00 0.00 174.94 174.20 1ut2 s SER 74 N -0.87 5.36 0.38 4.50 0.15 0.58 -1.48 113.70 122.32 1ut2 s SER 74 Ca 0.13 1.81 0.22 0.00 0.70 0.00 0.00 55.95 58.81 1ut2 s SER 74 Cb -0.11 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 62.86 1ut2 s SER 74 CO 0.03 -1.46 1.64 0.44 1.20 0.00 0.00 173.24 175.09 1ut2 h ASP 75 N -0.15 0.00 -0.53 5.45 5.19 -1.65 0.23 116.42 124.97 1ut2 h ASP 75 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1ut2 h ASP 75 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1ut2 h ASP 75 CO 0.56 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.22 1ut2 n ASN 76 N -2.32 3.02 -2.38 6.45 2.04 -1.26 -4.91 115.26 115.90 1ut2 n ASN 76 Ca -0.01 -2.06 -0.10 0.00 -0.44 0.00 0.00 54.58 51.96 1ut2 n ASN 76 Cb 0.14 -0.39 -0.01 0.00 -2.53 0.00 0.00 39.78 37.00 1ut2 n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1ut2 n ASN 77 N 1.02 -3.29 0.00 0.53 5.15 0.81 -4.75 115.26 114.72 1ut2 n ASN 77 Ca 0.18 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 1ut2 n ASN 77 Cb 0.50 -2.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.90 1ut2 n ASN 77 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ut2 n ARG 78 N -2.68 0.00 -2.25 1.20 0.63 -1.26 -4.96 116.66 107.34 1ut2 n ARG 78 Ca -0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.41 1ut2 n ARG 78 Cb 0.57 -0.04 -0.03 0.00 0.45 0.00 0.00 32.46 33.42 1ut2 n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ut2 s ASP 79 N -4.99 6.96 0.01 6.15 1.01 -1.26 -4.85 116.67 119.70 1ut2 s ASP 79 Ca 0.00 2.52 0.02 0.00 0.71 0.00 0.00 52.55 55.81 1ut2 s ASP 79 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1ut2 s ASP 79 CO 0.00 -0.39 -0.08 -1.59 0.21 0.00 0.00 175.17 173.32 1ut2 s LYS 80 N -1.59 0.58 -0.33 8.23 -2.85 -1.26 -0.30 119.74 122.21 1ut2 s LYS 80 Ca 0.48 -0.42 -0.03 0.00 -1.00 0.00 0.00 55.97 55.00 1ut2 s LYS 80 Cb -0.37 -0.51 0.06 0.00 -2.06 0.00 0.00 37.83 34.95 1ut2 s LYS 80 CO 0.48 0.13 0.07 -1.17 0.10 0.00 0.00 175.35 174.96 1ut2 s LEU 81 N -0.60 4.29 0.03 2.77 2.96 -0.15 -4.92 118.68 123.06 1ut2 s LEU 81 Ca -0.01 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.20 1ut2 s LEU 81 Cb -0.05 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 1ut2 s LEU 81 CO 0.00 -0.34 1.41 -0.31 -1.32 0.00 0.00 176.35 175.79 1ut2 s TYR 82 N 1.26 2.92 0.23 5.38 1.51 -1.26 -0.43 117.35 126.97 1ut2 s TYR 82 Ca -0.01 0.83 0.05 0.00 -1.01 0.00 0.00 57.07 56.92 1ut2 s TYR 82 Cb -0.20 -3.68 -0.05 0.00 -0.11 0.00 0.00 41.96 37.91 1ut2 s TYR 82 CO -0.01 -2.50 -0.04 0.14 -1.11 0.00 0.00 175.55 172.04 1ut2 s VAL 83 N 2.09 1.25 -0.11 0.71 -7.23 -0.50 -0.13 120.40 116.48 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 -0.38 -0.10 0.20 -0.31 0.00 0.00 175.10 174.80 1ut2 s ASN 84 N -3.33 4.35 -0.24 4.85 0.01 0.24 -4.17 114.94 116.65 1ut2 s ASN 84 Ca 0.27 -0.19 -0.08 0.00 -0.71 0.00 0.00 52.86 52.15 1ut2 s ASN 84 Cb 0.05 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 1ut2 s ASN 84 CO 0.09 0.24 0.10 -0.63 -1.51 0.00 0.00 177.10 175.39 1ut2 s ILE 85 N -0.10 4.78 -0.24 0.60 -1.09 -1.26 -1.91 121.20 121.98 1ut2 s ILE 85 Ca -0.00 -0.02 -0.19 0.00 -2.23 0.00 0.00 60.65 58.21 1ut2 s ILE 85 Cb -0.13 -3.22 0.06 0.00 -1.58 0.00 0.00 42.46 37.59 1ut2 s ILE 85 CO 0.03 0.36 0.61 0.00 -1.23 0.00 0.00 174.94 174.71 1ut2 s ARG 86 N 1.22 0.68 0.64 2.79 1.70 -0.94 -5.01 118.95 120.02 1ut2 s ARG 86 Ca 0.06 0.94 -0.16 0.00 -0.47 0.00 0.00 55.73 56.09 1ut2 s ARG 86 Cb -0.14 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 1ut2 s ARG 86 CO 0.04 -0.11 1.14 -1.25 -1.08 0.00 0.00 175.30 174.04 1ut2 s PRO 87 N 0.79 2.84 0.10 3.89 0.04 -1.26 -0.13 135.00 141.27 1ut2 s PRO 87 Ca -0.04 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1ut2 s PRO 87 Cb -0.05 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1ut2 s PRO 87 CO -0.06 -1.25 1.69 0.52 0.04 0.00 0.00 177.00 177.94 1ut2 h MET 88 N 0.33 0.27 -7.17 4.56 2.86 -1.28 -3.41 114.93 111.10 1ut2 h MET 88 Ca -0.48 -0.03 -0.49 0.00 -2.06 0.00 0.00 59.70 56.63 1ut2 h MET 88 Cb 1.26 -0.05 0.06 0.00 0.06 0.00 0.00 31.60 32.93 1ut2 h MET 88 CO 0.54 0.27 0.38 0.16 1.06 0.00 0.00 176.91 179.33 1ut2 s ASP 89 N -5.50 5.82 -0.01 1.22 3.84 -1.26 -4.90 116.67 115.88 1ut2 s ASP 89 Ca -0.13 1.88 0.00 0.00 -0.00 0.00 0.00 52.55 54.29 1ut2 s ASP 89 Cb 0.08 -2.54 0.02 0.00 -1.38 0.00 0.00 42.92 39.09 1ut2 s ASP 89 CO 0.70 -1.14 0.92 0.59 -0.00 0.00 0.00 175.17 176.24 1ut2 n ASN 90 N -1.83 2.63 -4.48 2.11 5.03 -1.26 -4.93 115.26 112.53 1ut2 n ASN 90 Ca 0.09 -2.04 -0.37 0.00 0.87 0.00 0.00 54.58 53.13 1ut2 n ASN 90 Cb 0.53 -0.51 0.06 0.00 -1.02 0.00 0.00 39.78 38.84 1ut2 n ASN 90 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ut2 n SER 91 N 0.36 -0.95 -4.68 6.41 3.41 -1.26 -4.93 113.62 111.98 1ut2 n SER 91 Ca 0.02 0.63 -0.38 0.00 -0.26 0.00 0.00 58.87 58.88 1ut2 n SER 91 Cb 0.48 -1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 63.13 1ut2 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ut2 s ALA 92 N -1.85 3.55 0.27 7.33 0.00 -1.26 -4.84 121.76 124.96 1ut2 s ALA 92 Ca 0.67 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.22 1ut2 s ALA 92 Cb -0.37 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1ut2 s ALA 92 CO 0.56 -0.29 -0.04 -1.58 0.00 0.00 0.00 175.76 174.42 1ut2 s TRP 93 N 1.28 1.86 0.04 0.00 0.52 -1.26 -0.42 118.94 120.95 1ut2 s TRP 93 Ca 0.20 -0.77 0.06 0.00 0.02 0.00 0.00 56.10 55.61 1ut2 s TRP 93 Cb -0.15 -1.08 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 1ut2 s TRP 93 CO 0.08 0.19 -0.16 0.99 0.02 0.00 0.00 176.95 178.07 1ut2 s THR 94 N -3.12 1.31 -0.26 2.01 2.01 0.42 -4.77 115.64 113.24 1ut2 s THR 94 Ca 0.30 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 1ut2 s THR 94 Cb 0.05 -1.16 -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 -1.12 115.64 116.99 1ut2 s THR 95 Ca 0.04 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1ut2 s THR 95 Cb -0.08 -2.80 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 3.52 -0.65 3.53 3.68 0.98 -4.96 116.67 124.26 1ut2 s ASP 96 Ca 0.04 -2.14 -0.13 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 -2.20 115.26 113.61 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 2.09 3.62 7.41 0.00 -1.26 -4.98 105.19 110.97 1ut2 n GLY 98 Ca -0.13 0.00 -0.34 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 -2.77 4.65 -0.53 1.61 1.01 -0.94 -1.20 120.40 122.23 1ut2 s VAL 99 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ut2 s VAL 99 Cb 0.00 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.43 1ut2 s VAL 99 CO 0.00 0.47 0.28 0.12 0.00 0.00 0.00 175.10 175.97 1ut2 s PHE 100 N 0.34 3.10 0.17 5.22 5.36 0.62 -0.01 117.98 132.77 1ut2 s PHE 100 Ca 0.02 -3.12 0.05 0.00 -0.96 0.00 0.00 56.93 52.92 1ut2 s PHE 100 Cb -0.13 -2.72 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 1ut2 s PHE 100 CO 0.01 -0.73 0.16 1.52 -1.46 0.00 0.00 175.22 174.72 1ut2 s TYR 101 N -0.34 3.19 0.11 10.12 1.13 -0.27 -1.77 117.35 129.51 1ut2 s TYR 101 Ca 0.18 -0.01 -0.29 0.00 -1.41 0.00 0.00 57.07 55.54 1ut2 s TYR 101 Cb -0.24 -1.52 -0.06 0.00 -1.10 0.00 0.00 41.96 39.04 1ut2 s TYR 101 CO -0.02 0.52 0.93 0.21 -2.51 0.00 0.00 175.55 174.69 1ut2 s LYS 102 N -3.20 4.68 0.42 -3.49 2.20 -0.27 0.16 119.74 120.24 1ut2 s LYS 102 Ca 0.32 1.40 0.09 0.00 -0.36 0.00 0.00 55.97 57.41 1ut2 s LYS 102 Cb -0.10 -3.37 0.91 0.00 -1.51 0.00 0.00 37.83 33.77 1ut2 s LYS 102 CO 0.24 0.24 2.06 -0.91 -0.36 0.00 0.00 175.35 176.63 1ut2 h ASN 103 N 5.49 0.42 -3.22 1.43 -0.26 -1.04 -3.43 115.58 114.96 1ut2 h ASN 103 Ca -0.43 -0.01 -0.67 0.00 -0.56 0.00 0.00 56.30 54.63 1ut2 h ASN 103 Cb 1.21 -0.10 -0.13 0.00 -1.06 0.00 0.00 38.32 38.24 1ut2 h ASN 103 CO 0.71 0.30 -0.60 -1.81 -1.06 0.00 0.00 177.43 174.97 1ut2 s ASP 104 N -6.66 5.41 0.98 5.81 1.01 -1.26 -5.08 116.67 116.88 1ut2 s ASP 104 Ca -0.08 0.13 -0.14 0.00 0.71 0.00 0.00 52.55 53.17 1ut2 s ASP 104 Cb 0.18 -1.52 0.18 0.00 1.01 0.00 0.00 42.92 42.77 1ut2 s ASP 104 CO 0.73 0.33 1.16 0.68 0.21 0.00 0.00 175.17 178.28 1ut2 s VAL 105 N -1.03 1.92 0.00 -1.27 -7.23 -1.26 -4.66 120.40 106.87 1ut2 s VAL 105 Ca 0.18 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1ut2 s VAL 105 Cb -0.12 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1ut2 s VAL 105 CO 0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1ut2 n GLY 106 N -2.21 2.46 3.56 2.32 0.00 -0.50 -4.96 105.19 105.86 1ut2 n GLY 106 Ca 0.09 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1ut2 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ut2 s SER 107 N 0.00 6.43 0.20 1.61 1.04 -1.01 -4.46 113.70 117.51 1ut2 s SER 107 Ca 0.00 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1ut2 s SER 107 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1ut2 s SER 107 CO 0.00 -1.29 0.29 0.86 0.98 0.00 0.00 173.24 174.07 1ut2 s TRP 108 N 4.34 3.39 -0.23 5.02 -0.00 -1.25 -4.92 118.94 125.30 1ut2 s TRP 108 Ca 0.38 0.03 -0.18 0.00 -0.00 0.00 0.00 56.10 56.33 1ut2 s TRP 108 Cb -0.10 -1.58 0.06 0.00 -0.00 0.00 0.00 33.47 31.85 1ut2 s TRP 108 CO 0.24 0.49 0.59 0.20 -0.00 0.00 0.00 176.95 178.47 1ut2 s GLY 109 N -3.57 -0.48 0.00 5.86 0.00 -1.26 -0.73 107.32 107.14 1ut2 s GLY 109 Ca 0.34 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.90 1ut2 s GLY 109 CO 0.28 1.72 0.00 0.61 0.00 0.00 0.00 173.10 175.71 1ut2 n GLY 110 N 3.38 -0.54 3.53 0.20 0.00 -0.11 -4.99 105.19 106.65 1ut2 n GLY 110 Ca -0.17 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.13 3.58 -0.35 2.61 2.01 -1.26 0.29 115.64 119.40 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 -0.45 4.07 0.23 1.82 -1.09 0.37 -0.70 121.20 125.45 1ut2 s ILE 112 Ca 0.06 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.20 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 0.00 174.94 173.70 1ut2 s GLY 113 N 1.46 3.10 -0.23 6.18 0.00 0.82 -0.69 107.32 117.96 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 0.00 173.10 173.91 1ut2 s ILE 114 N -1.05 3.10 0.14 0.90 -1.09 -1.11 -2.22 121.20 119.88 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 0.18 117.35 126.05 1ut2 s TYR 115 Ca 0.04 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 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 -1.59 3.44 -0.83 0.71 1.01 0.24 0.81 120.40 124.19 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 -3.63 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 1.41 6.54 0.00 3.32 2.15 0.81 -0.80 116.67 130.10 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 -1.76 3.67 2.66 0.00 -1.26 -4.78 105.19 108.84 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 2.55 -2.83 1.61 -0.00 -1.26 -4.38 117.38 112.84 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 27.40 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 0.58 -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 -4.79 135.00 133.09 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 -4.88 135.00 129.03 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 -1.97 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 1ut2 n GLY 126 N 0.53 -0.54 3.27 0.52 0.00 -0.70 -4.95 105.19 103.31 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 5.14 0.05 1.61 0.01 -1.26 -1.03 114.94 115.46 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 0.42 -1.64 117.35 125.10 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 0.18 -0.21 -0.71 2.01 -0.55 -0.79 115.64 114.22 1ut2 s THR 129 Ca 0.29 -1.52 -0.04 0.00 0.31 0.00 0.00 61.69 60.73 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 -0.25 -0.84 118.68 122.48 1ut2 s LEU 130 Ca 0.00 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 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 62.68 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 -2.31 118.68 123.68 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 -0.60 -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 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 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 -0.43 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 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1ut2 n GLY 135 N -1.14 -2.27 3.50 0.20 0.00 -0.90 -1.90 105.19 102.68 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 2.28 0.04 1.61 1.13 -0.66 0.02 117.35 119.51 1ut2 s TYR 136 Ca 0.00 -0.47 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 1ut2 s TYR 136 Cb 0.00 -1.20 -0.04 0.00 -1.10 0.00 0.00 41.96 39.62 1ut2 s TYR 136 CO 0.00 0.58 0.05 -0.46 -2.51 0.00 0.00 175.55 173.21 1ut2 s TRP 137 N -2.64 3.16 0.00 -3.49 -0.11 0.17 -0.70 118.94 115.31 1ut2 s TRP 137 Ca 0.31 0.09 0.00 0.00 1.22 0.00 0.00 56.10 57.72 1ut2 s TRP 137 Cb 0.00 -1.64 0.00 0.00 -1.50 0.00 0.00 33.47 30.33 1ut2 s TRP 137 CO 0.15 0.51 0.00 0.00 -4.62 0.00 0.00 176.95 172.99