#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h45 n PRO 2 N 0.00 2.28 -0.30 1.61 -0.04 -1.26 -4.96 135.00 132.33 2h45 n PRO 2 Ca 0.00 0.80 -0.06 0.00 -0.04 0.00 0.00 63.50 64.21 2h45 n PRO 2 Cb 0.00 -2.46 0.06 0.00 -0.04 0.00 0.00 33.50 31.06 2h45 n PRO 2 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2h45 n LEU 3 N 1.25 0.00 0.00 1.53 -0.00 -1.26 -4.49 117.00 114.04 2h45 n LEU 3 Ca 0.06 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2h45 n LEU 3 Cb 0.36 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2h45 n LEU 3 CO 0.63 -1.78 0.00 0.61 -0.00 0.00 0.00 177.39 176.85 2h45 n GLY 4 N -0.08 0.85 0.00 1.47 0.00 -1.26 -4.94 105.19 101.23 2h45 n GLY 4 Ca 0.03 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.54 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h45 n SER 5 N 1.04 0.00 -4.51 1.61 3.41 -1.26 -4.77 113.62 109.14 2h45 n SER 5 Ca 0.00 -1.78 -0.32 0.00 -0.26 0.00 0.00 58.87 56.51 2h45 n SER 5 Cb 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.92 2h45 n SER 5 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2h45 s HIS 6 N -2.00 2.72 0.35 7.33 3.76 -1.26 -5.12 115.29 121.06 2h45 s HIS 6 Ca 0.07 -0.15 -0.12 0.00 -0.15 0.00 0.00 55.06 54.72 2h45 s HIS 6 Cb 0.03 -1.58 -0.07 0.00 1.11 0.00 0.00 32.58 32.07 2h45 s HIS 6 CO 0.06 0.26 0.72 -0.51 -0.85 0.00 0.00 174.74 174.42 2h45 s LEU 7 N -1.11 3.96 -0.16 0.89 1.02 -1.26 -5.07 118.68 116.95 2h45 s LEU 7 Ca 0.14 1.13 -0.09 0.00 0.02 0.00 0.00 54.13 55.33 2h45 s LEU 7 Cb -0.11 -3.97 -0.05 0.00 0.02 0.00 0.00 46.19 42.09 2h45 s LEU 7 CO 0.04 -0.28 0.14 -0.69 0.02 0.00 0.00 176.35 175.58 2h45 s VAL 8 N -2.16 5.45 0.43 -1.59 1.01 -1.26 -5.06 120.40 117.22 2h45 s VAL 8 Ca 0.51 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 2h45 s VAL 8 Cb -0.10 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2h45 s VAL 8 CO 0.25 0.53 1.16 0.00 0.00 0.00 0.00 175.10 177.04 2h45 n ALA 9 N 2.75 0.82 -3.00 5.51 0.00 -1.26 -4.93 120.51 120.40 2h45 n ALA 9 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2h45 n ALA 9 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2h45 n ALA 9 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2h45 n THR 10 N -0.37 0.00 -0.19 0.00 5.66 -1.26 -5.16 114.28 112.95 2h45 n THR 10 Ca 0.08 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.05 2h45 n THR 10 Cb 0.40 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.21 2h45 n THR 10 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2h45 n SER 11 N 0.00 -1.90 0.09 1.09 3.41 -1.26 -4.84 113.62 110.20 2h45 n SER 11 Ca 0.00 -0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2h45 n SER 11 Cb 0.00 -0.11 0.58 0.00 -0.26 0.00 0.00 64.21 64.41 2h45 n SER 11 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h45 h GLU 12 N 0.00 0.19 0.00 4.33 5.08 -2.02 -3.44 114.58 118.72 2h45 h GLU 12 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2h45 h GLU 12 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2h45 h GLU 12 CO 0.03 0.13 0.00 0.45 -1.00 0.00 0.00 179.01 178.61 2h45 n SER 13 N -4.48 0.00 -4.30 1.42 2.88 -1.26 -4.76 113.62 103.11 2h45 n SER 13 Ca 0.03 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.29 2h45 n SER 13 Cb 0.24 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.55 2h45 n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2h45 s VAL 14 N 0.00 1.95 0.00 2.46 0.11 -1.26 -5.09 120.40 118.56 2h45 s VAL 14 Ca 0.00 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 2h45 s VAL 14 Cb 0.00 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 2h45 s VAL 14 CO 0.00 0.32 0.00 0.41 -3.33 0.00 0.00 175.10 172.50 2h45 n THR 15 N 1.86 0.00 -1.52 5.04 -1.04 -1.26 -5.02 114.28 112.34 2h45 n THR 15 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2h45 n THR 15 Cb 0.52 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2h45 n THR 15 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2h45 n GLU 16 N -0.58 -0.38 0.00 -2.82 0.28 -1.26 -4.95 120.64 110.93 2h45 n GLU 16 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 2h45 n GLU 16 Cb 0.00 -0.40 0.00 0.00 1.43 0.00 0.00 31.44 32.47 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2h45 n ILE 17 N 1.86 0.00 0.00 3.84 5.41 -1.18 -4.71 119.36 124.59 2h45 n ILE 17 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2h45 n ILE 17 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2h45 n ILE 17 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2h45 n THR 18 N -1.39 0.00 -1.84 1.39 -2.24 -1.26 0.42 114.28 109.36 2h45 n THR 18 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2h45 n THR 18 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 n ALA 19 N 0.00 -0.41 -2.37 6.98 0.00 -1.26 -0.24 120.51 123.20 2h45 n ALA 19 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 2h45 n ALA 19 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 2h45 n ALA 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h45 n SER 20 N -1.43 -5.73 -4.65 0.00 3.41 1.41 -2.06 113.62 104.56 2h45 n SER 20 Ca -0.20 0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 2h45 n SER 20 Cb 0.64 -4.79 0.17 0.00 -0.26 0.00 0.00 64.21 59.97 2h45 n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2h45 s SER 21 N -2.08 2.71 0.10 4.04 1.04 1.24 -4.50 113.70 116.25 2h45 s SER 21 Ca 0.00 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.33 2h45 s SER 21 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 2h45 s SER 21 CO 0.00 -3.17 -0.14 -0.36 0.98 0.00 0.00 173.24 170.55 2h45 s PHE 22 N -2.69 1.28 -0.27 5.02 0.08 -0.76 -3.12 117.98 117.53 2h45 s PHE 22 Ca 0.66 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 57.18 2h45 s PHE 22 Cb -0.22 -0.69 0.08 0.00 -0.57 0.00 0.00 43.02 41.61 2h45 s PHE 22 CO 0.59 0.09 0.00 0.08 -0.10 0.00 0.00 175.22 175.89 2h45 s VAL 23 N -1.85 1.43 -0.08 -0.44 1.01 -1.26 -0.17 120.40 119.03 2h45 s VAL 23 Ca 0.04 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.66 2h45 s VAL 23 Cb -0.07 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2h45 s VAL 23 CO 0.02 -0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 173.95 2h45 s VAL 24 N 1.40 2.80 0.11 2.92 1.01 -1.00 -5.00 120.40 122.63 2h45 s VAL 24 Ca 0.01 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.28 2h45 s VAL 24 Cb -0.18 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2h45 s VAL 24 CO -0.11 0.56 -0.21 -0.94 0.00 0.00 0.00 175.10 174.40 2h45 s SER 25 N -0.16 2.61 0.34 3.32 1.04 -1.26 -1.96 113.70 117.61 2h45 s SER 25 Ca -0.01 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.75 2h45 s SER 25 Cb -0.14 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 2h45 s SER 25 CO 0.03 0.06 0.38 -2.67 0.98 0.00 0.00 173.24 172.03 2h45 n TRP 26 N 1.04 -1.12 -4.98 5.02 2.14 -0.47 -5.00 117.44 114.08 2h45 n TRP 26 Ca -0.19 -2.53 -0.32 0.00 2.07 0.00 0.00 57.50 56.53 2h45 n TRP 26 Cb 0.54 0.42 -0.16 0.00 -0.81 0.00 0.00 31.31 31.29 2h45 n TRP 26 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2h45 s VAL 27 N -3.06 2.24 0.18 -1.67 1.01 -1.26 -4.74 120.40 113.10 2h45 s VAL 27 Ca 0.34 -0.94 -0.33 0.00 0.00 0.00 0.00 61.98 61.05 2h45 s VAL 27 Cb 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 36.38 34.35 2h45 s VAL 27 CO 0.24 0.55 1.25 -0.24 0.00 0.00 0.00 175.10 176.90 2h45 n SER 28 N 3.69 1.76 -0.90 3.32 2.88 -1.26 -4.88 113.62 118.23 2h45 n SER 28 Ca -0.19 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.49 2h45 n SER 28 Cb 0.53 -1.27 0.20 0.00 -0.75 0.00 0.00 64.21 62.92 2h45 n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h45 n ALA 29 N 1.78 3.83 0.00 -1.46 0.00 -1.26 -4.65 120.51 118.75 2h45 n ALA 29 Ca 0.15 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.55 2h45 n ALA 29 Cb 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2h45 n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h45 n SER 30 N -1.08 0.00 0.00 0.00 7.64 -1.26 -5.00 113.62 113.92 2h45 n SER 30 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2h45 n SER 30 Cb 0.90 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 2h45 n SER 30 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h45 n ASP 31 N -0.26 0.00 0.00 6.43 8.00 -1.26 -4.20 116.55 125.25 2h45 n ASP 31 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 2h45 n ASP 31 Cb 0.00 0.00 0.82 0.00 -0.02 0.00 0.00 41.12 41.92 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2h45 n THR 32 N 0.00 0.00 -1.63 -3.53 -2.24 -1.26 -4.87 114.28 100.75 2h45 n THR 32 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2h45 n THR 32 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 2h45 n THR 32 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h45 n VAL 33 N -0.95 2.26 0.35 2.28 3.14 -1.26 -3.73 118.33 120.42 2h45 n VAL 33 Ca 0.21 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 61.20 2h45 n VAL 33 Cb 0.09 -1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 31.59 2h45 n VAL 33 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2h45 n SER 34 N 0.69 0.55 0.00 6.55 7.64 1.33 -4.57 113.62 125.80 2h45 n SER 34 Ca 0.08 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2h45 n SER 34 Cb 0.37 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 2h45 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h45 n GLY 35 N 1.31 -0.91 3.29 0.23 0.00 -1.09 -3.25 105.19 104.78 2h45 n GLY 35 Ca 0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 2h45 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h45 s PHE 36 N -2.00 1.78 -0.08 1.61 0.08 0.41 0.28 117.98 120.06 2h45 s PHE 36 Ca 0.00 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2h45 s PHE 36 Cb 0.00 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.52 2h45 s PHE 36 CO 0.00 0.23 -0.07 0.50 -0.10 0.00 0.00 175.22 175.78 2h45 s ARG 37 N -2.14 1.34 -0.16 0.44 3.52 0.13 0.36 118.95 122.45 2h45 s ARG 37 Ca 0.09 -0.23 -0.05 0.00 -0.13 0.00 0.00 55.73 55.41 2h45 s ARG 37 Cb -0.09 -1.33 -0.03 0.00 -1.56 0.00 0.00 34.95 31.94 2h45 s ARG 37 CO 0.05 -0.16 0.00 0.08 -0.81 0.00 0.00 175.30 174.46 2h45 s VAL 38 N 1.32 4.24 -0.14 7.11 1.01 0.84 -0.46 120.40 134.32 2h45 s VAL 38 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2h45 s VAL 38 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 2h45 s VAL 38 CO -0.03 0.50 -0.17 -0.70 0.00 0.00 0.00 175.10 174.69 2h45 s GLU 39 N 0.22 2.53 -0.01 2.72 -6.30 -0.53 -0.77 118.70 116.55 2h45 s GLU 39 Ca 0.00 -0.66 0.02 0.00 -2.50 0.00 0.00 54.97 51.82 2h45 s GLU 39 Cb -0.13 -2.18 0.00 0.00 0.00 0.00 0.00 34.13 31.82 2h45 s GLU 39 CO 0.02 -0.13 -0.05 1.52 0.02 0.00 0.00 175.26 176.64 2h45 s TYR 40 N 1.15 0.51 0.21 5.30 1.13 -1.07 -1.33 117.35 123.26 2h45 s TYR 40 Ca -0.01 -0.10 -0.09 0.00 -1.41 0.00 0.00 57.07 55.46 2h45 s TYR 40 Cb -0.14 -0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 40.34 2h45 s TYR 40 CO -0.06 -0.04 0.33 -1.83 -2.51 0.00 0.00 175.55 171.44 2h45 s GLU 41 N 0.06 1.34 0.01 -3.49 -1.05 -1.05 -2.54 118.70 111.99 2h45 s GLU 41 Ca -0.00 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.19 2h45 s GLU 41 Cb -0.04 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 2h45 s GLU 41 CO -0.00 -0.51 1.22 -0.51 0.95 0.00 0.00 175.26 176.41 2h45 s LEU 42 N -3.04 4.33 0.54 1.83 1.43 -1.26 -0.26 118.68 122.25 2h45 s LEU 42 Ca 0.25 1.95 0.32 0.00 -1.03 0.00 0.00 54.13 55.63 2h45 s LEU 42 Cb 0.03 -3.57 1.38 0.00 0.03 0.00 0.00 46.19 44.06 2h45 s LEU 42 CO 0.07 -0.54 2.00 0.77 0.23 0.00 0.00 176.35 178.88 2h45 h SER 43 N 7.15 0.00 0.00 2.29 4.64 -0.64 -3.36 113.55 123.63 2h45 h SER 43 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2h45 h SER 43 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2h45 h SER 43 CO 0.85 0.05 0.00 -0.62 -0.87 0.00 0.00 176.83 176.23 2h45 n GLU 44 N -3.18 0.00 -2.02 4.77 1.02 -1.26 -4.99 120.64 114.97 2h45 n GLU 44 Ca 0.00 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2h45 n GLU 44 Cb 0.30 -0.30 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 2h45 n GLU 44 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2h45 s GLU 45 N -0.57 3.01 -0.71 3.49 2.02 -1.26 -4.93 118.70 119.75 2h45 s GLU 45 Ca 0.00 1.72 -0.02 0.00 0.02 0.00 0.00 54.97 56.69 2h45 s GLU 45 Cb 0.00 -1.95 0.41 0.00 0.10 0.00 0.00 34.13 32.69 2h45 s GLU 45 CO 0.00 -1.15 2.04 0.41 0.02 0.00 0.00 175.26 176.59 2h45 n GLY 46 N 0.31 5.72 3.40 -1.39 0.00 -1.26 -4.17 105.19 107.80 2h45 n GLY 46 Ca 0.13 -2.33 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 2h45 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2h45 n ASP 47 N -0.76 -2.48 -4.74 1.61 8.00 -1.26 -4.92 116.55 112.00 2h45 n ASP 47 Ca 0.60 -0.38 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 2h45 n ASP 47 Cb 0.53 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2h45 s GLU 48 N -4.53 4.56 0.59 -1.24 1.03 -1.26 -4.80 118.70 113.06 2h45 s GLU 48 Ca 0.69 1.81 -0.18 0.00 0.03 0.00 0.00 54.97 57.32 2h45 s GLU 48 Cb -0.23 -3.24 -0.03 0.00 -0.80 0.00 0.00 34.13 29.83 2h45 s GLU 48 CO 0.64 0.05 1.14 -1.25 -1.33 0.00 0.00 175.26 174.50 2h45 s PRO 49 N -0.63 3.09 0.07 -4.83 0.04 -1.26 -4.92 135.00 126.55 2h45 s PRO 49 Ca 0.49 1.58 0.08 0.00 0.04 0.00 0.00 61.00 63.20 2h45 s PRO 49 Cb -0.31 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2h45 s PRO 49 CO 0.37 -1.06 -0.20 -0.65 0.04 0.00 0.00 177.00 175.51 2h45 s GLN 50 N -3.56 1.90 -0.04 4.56 -0.21 -1.05 -5.00 119.66 116.27 2h45 s GLN 50 Ca 0.72 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 55.06 2h45 s GLN 50 Cb -0.24 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.64 2h45 s GLN 50 CO 0.33 0.51 -0.19 0.71 -2.12 0.00 0.00 175.29 174.53 2h45 s TYR 51 N -0.98 1.80 -0.08 0.91 2.02 -1.26 -2.58 117.35 117.17 2h45 s TYR 51 Ca 0.15 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2h45 s TYR 51 Cb -0.10 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 2h45 s TYR 51 CO 0.06 -0.13 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.25 2h45 s LEU 52 N -0.13 1.75 -0.14 -1.29 1.43 0.05 -4.93 118.68 115.41 2h45 s LEU 52 Ca -0.00 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 2h45 s LEU 52 Cb -0.11 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2h45 s LEU 52 CO 0.01 0.05 0.05 -1.81 0.23 0.00 0.00 176.35 174.89 2h45 s ASP 53 N 0.69 5.57 0.13 2.29 1.01 -1.26 -0.11 116.67 124.98 2h45 s ASP 53 Ca -0.13 0.14 0.05 0.00 0.71 0.00 0.00 52.55 53.32 2h45 s ASP 53 Cb -0.16 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 2h45 s ASP 53 CO 0.03 0.26 -0.12 -0.76 0.21 0.00 0.00 175.17 174.80 2h45 s LEU 54 N -0.18 2.45 0.73 1.23 1.43 0.16 -4.94 118.68 119.56 2h45 s LEU 54 Ca 0.07 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.16 2h45 s LEU 54 Cb -0.12 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.70 2h45 s LEU 54 CO 0.01 -0.22 1.14 -2.16 0.23 0.00 0.00 176.35 175.35 2h45 s PRO 55 N -3.04 2.28 0.22 1.29 0.04 -1.26 0.16 135.00 134.69 2h45 s PRO 55 Ca 0.11 1.47 0.14 0.00 0.04 0.00 0.00 61.00 62.76 2h45 s PRO 55 Cb -0.02 -1.88 0.76 0.00 0.04 0.00 0.00 34.50 33.40 2h45 s PRO 55 CO 0.02 -1.67 1.41 -1.13 0.04 0.00 0.00 177.00 175.67 2h45 n SER 56 N -2.95 0.36 -0.12 6.66 3.41 -1.20 0.40 113.62 120.18 2h45 n SER 56 Ca 0.11 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 2h45 n SER 56 Cb 0.52 -0.69 0.20 0.00 -0.26 0.00 0.00 64.21 63.98 2h45 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h45 n THR 57 N -1.99 0.00 -2.83 6.66 -2.24 -1.26 -4.87 114.28 107.75 2h45 n THR 57 Ca -0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 2h45 n THR 57 Cb 0.06 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 2h45 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 s ALA 58 N -2.80 3.23 -0.03 6.98 0.00 0.16 -4.91 121.76 124.39 2h45 s ALA 58 Ca 0.15 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.56 2h45 s ALA 58 Cb 0.18 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 20.17 2h45 s ALA 58 CO 0.66 -0.15 0.89 0.25 0.00 0.00 0.00 175.76 177.41 2h45 n THR 59 N 3.69 0.67 -3.63 0.00 -2.24 -1.26 -4.88 114.28 106.62 2h45 n THR 59 Ca 0.03 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 2h45 n THR 59 Cb 0.51 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 2h45 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2h45 s SER 60 N -1.14 -0.61 -0.09 3.42 1.04 -1.26 -1.37 113.70 113.69 2h45 s SER 60 Ca 0.07 1.17 -0.14 0.00 0.48 0.00 0.00 55.95 57.53 2h45 s SER 60 Cb 0.06 1.18 0.03 0.00 0.10 0.00 0.00 66.02 67.39 2h45 s SER 60 CO 0.01 -0.21 0.35 0.54 0.98 0.00 0.00 173.24 174.90 2h45 s VAL 61 N 0.26 0.02 -0.20 5.02 0.11 -0.83 -5.02 120.40 119.77 2h45 s VAL 61 Ca 0.01 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 2h45 s VAL 61 Cb -0.05 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2h45 s VAL 61 CO -0.02 -0.10 0.09 0.21 -3.33 0.00 0.00 175.10 171.95 2h45 s ASN 62 N -0.40 5.75 -0.49 3.54 3.04 -1.26 -2.36 114.94 122.75 2h45 s ASN 62 Ca -0.05 0.08 -0.17 0.00 0.04 0.00 0.00 52.86 52.76 2h45 s ASN 62 Cb -0.03 -2.00 0.07 0.00 -1.54 0.00 0.00 41.25 37.74 2h45 s ASN 62 CO 0.02 0.14 0.49 -0.63 -3.04 0.00 0.00 177.10 174.08 2h45 s ILE 63 N 0.58 5.10 0.73 -5.21 1.01 0.76 -4.92 121.20 119.24 2h45 s ILE 63 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 2h45 s ILE 63 Cb -0.13 -4.20 0.13 0.00 0.01 0.00 0.00 42.46 38.27 2h45 s ILE 63 CO 0.01 -0.68 1.00 -2.16 0.00 0.00 0.00 174.94 173.12 2h45 s PRO 64 N 2.02 1.66 -1.49 2.79 0.04 -1.26 -1.84 135.00 136.92 2h45 s PRO 64 Ca 0.08 -1.05 -0.06 0.00 0.04 0.00 0.00 61.00 60.01 2h45 s PRO 64 Cb -0.23 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.02 2h45 s PRO 64 CO 0.08 -1.47 0.82 -0.25 0.04 0.00 0.00 177.00 176.22 2h45 n ASP 65 N -2.87 -6.20 -4.85 6.66 8.00 -1.26 -4.96 116.55 111.07 2h45 n ASP 65 Ca 0.15 -0.39 -0.35 0.00 0.71 0.00 0.00 54.79 54.91 2h45 n ASP 65 Cb 0.60 -4.96 -0.06 0.00 -0.02 0.00 0.00 41.12 36.69 2h45 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2h45 s LEU 66 N -6.93 4.29 -0.18 0.64 1.43 -0.88 -5.04 118.68 112.02 2h45 s LEU 66 Ca 0.41 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.33 2h45 s LEU 66 Cb -0.18 -3.44 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 2h45 s LEU 66 CO 0.51 0.04 1.00 -0.76 0.23 0.00 0.00 176.35 177.37 2h45 s LEU 67 N -2.18 4.16 0.00 1.79 1.43 -1.26 -4.26 118.68 118.37 2h45 s LEU 67 Ca 0.41 1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.87 2h45 s LEU 67 Cb -0.14 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.65 2h45 s LEU 67 CO 0.20 -0.55 0.15 -2.65 0.23 0.00 0.00 176.35 173.73 2h45 n PRO 68 N 5.68 -0.26 -1.11 1.29 -0.02 -1.26 -3.03 135.00 136.28 2h45 n PRO 68 Ca 0.10 -0.26 -0.02 0.00 -2.02 0.00 0.00 63.50 61.30 2h45 n PRO 68 Cb 0.47 -0.57 -0.00 0.00 -0.02 0.00 0.00 33.50 33.38 2h45 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h45 n GLY 69 N -0.35 -0.04 3.20 -1.23 0.00 -1.26 -4.79 105.19 100.71 2h45 n GLY 69 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2h45 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h45 s ARG 70 N -0.89 1.22 -0.18 1.61 1.81 -1.17 -4.97 118.95 116.38 2h45 s ARG 70 Ca 0.03 -0.83 -0.09 0.00 -1.72 0.00 0.00 55.73 53.12 2h45 s ARG 70 Cb -0.02 -1.28 -0.05 0.00 -0.45 0.00 0.00 34.95 33.16 2h45 s ARG 70 CO 0.04 0.33 0.13 0.21 -0.68 0.00 0.00 175.30 175.32 2h45 s LYS 71 N -1.06 4.05 0.12 3.54 2.20 -1.26 -2.55 119.74 124.78 2h45 s LYS 71 Ca 0.05 -0.21 0.10 0.00 -0.36 0.00 0.00 55.97 55.55 2h45 s LYS 71 Cb -0.08 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2h45 s LYS 71 CO 0.01 0.39 -0.25 0.71 -0.36 0.00 0.00 175.35 175.85 2h45 s TYR 72 N 0.11 2.13 -0.20 4.03 1.51 -0.23 0.11 117.35 124.80 2h45 s TYR 72 Ca 0.09 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2h45 s TYR 72 Cb -0.11 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 2h45 s TYR 72 CO -0.01 0.29 0.06 0.42 -1.11 0.00 0.00 175.55 175.20 2h45 s ILE 73 N -1.09 4.59 -0.10 2.71 1.01 0.64 -1.12 121.20 127.83 2h45 s ILE 73 Ca 0.11 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2h45 s ILE 73 Cb -0.10 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2h45 s ILE 73 CO 0.05 0.42 -0.16 -0.69 0.00 0.00 0.00 174.94 174.57 2h45 s VAL 74 N 0.77 2.84 -0.07 2.92 1.01 0.16 -2.52 120.40 125.52 2h45 s VAL 74 Ca 0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2h45 s VAL 74 Cb -0.14 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2h45 s VAL 74 CO 0.02 0.55 -0.03 0.20 0.00 0.00 0.00 175.10 175.84 2h45 s ASN 75 N 0.08 1.48 -0.21 3.32 0.01 -0.44 -0.52 114.94 118.65 2h45 s ASN 75 Ca -0.07 -0.14 -0.08 0.00 -0.71 0.00 0.00 52.86 51.86 2h45 s ASN 75 Cb -0.15 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 2h45 s ASN 75 CO 0.05 -0.13 0.09 -0.69 -1.51 0.00 0.00 177.10 174.91 2h45 s VAL 76 N 1.52 4.85 -0.04 1.60 1.01 0.77 -1.45 120.40 128.65 2h45 s VAL 76 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2h45 s VAL 76 Cb -0.13 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2h45 s VAL 76 CO -0.04 0.41 -0.23 -0.31 0.00 0.00 0.00 175.10 174.94 2h45 s TYR 77 N 0.78 2.47 -0.15 5.22 2.02 0.39 -1.38 117.35 126.70 2h45 s TYR 77 Ca 0.05 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.19 2h45 s TYR 77 Cb -0.13 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2h45 s TYR 77 CO 0.02 -0.06 0.13 1.14 -1.57 0.00 0.00 175.55 175.22 2h45 s GLN 78 N -0.45 3.75 -0.26 -0.62 -2.07 -0.90 0.22 119.66 119.32 2h45 s GLN 78 Ca 0.05 -0.17 -0.12 0.00 -1.82 0.00 0.00 55.36 53.30 2h45 s GLN 78 Cb -0.12 -3.28 -0.05 0.00 -1.09 0.00 0.00 33.01 28.47 2h45 s GLN 78 CO 0.01 0.58 0.23 0.42 -1.32 0.00 0.00 175.29 175.21 2h45 s ILE 79 N -0.45 5.30 0.68 3.63 1.01 0.14 -2.71 121.20 128.80 2h45 s ILE 79 Ca 0.12 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 2h45 s ILE 79 Cb -0.12 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.83 2h45 s ILE 79 CO 0.02 0.27 1.02 -0.94 0.00 0.00 0.00 174.94 175.30 2h45 s SER 80 N 1.45 5.11 0.62 3.58 1.04 -0.25 0.40 113.70 125.65 2h45 s SER 80 Ca 0.09 0.69 0.34 0.00 0.48 0.00 0.00 55.95 57.55 2h45 s SER 80 Cb -0.15 -1.45 1.92 0.00 0.10 0.00 0.00 66.02 66.45 2h45 s SER 80 CO 0.08 -1.44 2.20 -0.33 0.98 0.00 0.00 173.24 174.74 2h45 h GLU 81 N -0.54 0.00 -0.02 4.02 4.39 -1.89 0.36 114.58 120.90 2h45 h GLU 81 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2h45 h GLU 81 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2h45 h GLU 81 CO 0.62 0.00 -0.04 -0.40 -1.16 0.00 0.00 179.01 178.02 2h45 n ASP 82 N -3.51 1.56 0.00 1.42 5.68 -1.26 -4.91 116.55 115.53 2h45 n ASP 82 Ca -0.01 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2h45 n ASP 82 Cb 0.19 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2h45 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h45 n GLY 83 N 1.22 0.65 3.75 6.12 0.00 0.13 -5.04 105.19 112.01 2h45 n GLY 83 Ca 0.17 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2h45 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h45 s GLU 84 N -0.50 4.60 -0.02 1.61 0.41 -1.26 -4.73 118.70 118.81 2h45 s GLU 84 Ca 0.00 1.22 -0.00 0.00 -0.41 0.00 0.00 54.97 55.78 2h45 s GLU 84 Cb 0.00 -3.33 -0.04 0.00 -1.78 0.00 0.00 34.13 28.98 2h45 s GLU 84 CO 0.00 0.36 0.04 -0.65 -0.49 0.00 0.00 175.26 174.52 2h45 s GLN 85 N -0.43 2.96 -0.01 1.61 -0.21 -1.26 -1.09 119.66 121.22 2h45 s GLN 85 Ca 0.40 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.27 2h45 s GLN 85 Cb -0.22 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.02 2h45 s GLN 85 CO 0.26 0.65 0.02 0.45 -2.12 0.00 0.00 175.29 174.55 2h45 s SER 86 N -1.54 0.07 -0.18 5.90 0.15 -1.10 -4.93 113.70 112.08 2h45 s SER 86 Ca 0.20 0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.58 2h45 s SER 86 Cb -0.12 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2h45 s SER 86 CO 0.11 -0.09 1.48 -0.22 1.20 0.00 0.00 173.24 175.72 2h45 s LEU 87 N 0.75 4.07 -0.04 3.45 2.96 -1.26 -2.13 118.68 126.48 2h45 s LEU 87 Ca -0.06 1.72 0.12 0.00 -0.22 0.00 0.00 54.13 55.69 2h45 s LEU 87 Cb -0.09 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.89 2h45 s LEU 87 CO -0.02 -1.01 0.21 2.30 -1.32 0.00 0.00 176.35 176.51 2h45 n ILE 88 N 5.87 0.18 -3.66 6.68 -5.35 -0.48 -4.98 119.36 117.63 2h45 n ILE 88 Ca 0.16 -0.32 -0.05 0.00 -0.27 0.00 0.00 62.75 62.27 2h45 n ILE 88 Cb 0.45 0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.29 2h45 n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2h45 s LEU 89 N -4.07 -0.86 -0.11 7.28 2.96 -1.22 -4.89 118.68 117.77 2h45 s LEU 89 Ca -0.05 1.28 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 2h45 s LEU 89 Cb 0.07 1.85 0.02 0.00 0.50 0.00 0.00 46.19 48.62 2h45 s LEU 89 CO 0.49 -0.22 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.63 2h45 s SER 90 N 2.61 2.31 0.09 3.68 0.15 -1.26 -0.16 113.70 121.12 2h45 s SER 90 Ca -0.05 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.05 2h45 s SER 90 Cb -0.11 -0.99 0.04 0.00 -1.71 0.00 0.00 66.02 63.25 2h45 s SER 90 CO -0.16 -0.04 0.43 0.28 1.20 0.00 0.00 173.24 174.95 2h45 s THR 91 N 1.30 0.06 0.17 6.45 -1.32 0.32 -5.01 115.64 117.60 2h45 s THR 91 Ca -0.01 -0.46 0.09 0.00 -1.21 0.00 0.00 61.69 60.10 2h45 s THR 91 Cb -0.14 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 2h45 s THR 91 CO -0.05 -0.25 -0.14 -0.94 -2.21 0.00 0.00 174.62 171.02 2h45 s SER 92 N -2.46 4.04 0.06 8.08 1.04 -1.26 0.39 113.70 123.59 2h45 s SER 92 Ca -0.01 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2h45 s SER 92 Cb 0.01 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 2h45 s SER 92 CO -0.08 0.13 -0.05 -1.10 0.98 0.00 0.00 173.24 173.12 2h45 s GLN 93 N -2.63 0.63 -0.24 4.02 -0.21 -0.28 -4.96 119.66 115.99 2h45 s GLN 93 Ca 0.23 -1.11 -0.00 0.00 0.02 0.00 0.00 55.36 54.49 2h45 s GLN 93 Cb -0.09 -0.01 0.07 0.00 1.00 0.00 0.00 33.01 33.98 2h45 s GLN 93 CO 0.13 -0.05 -0.00 0.99 -2.12 0.00 0.00 175.29 174.24 2h45 s THR 94 N -3.14 1.20 -1.39 -0.19 2.01 -1.26 -1.07 115.64 111.79 2h45 s THR 94 Ca 0.03 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.91 2h45 s THR 94 Cb 0.02 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.92 2h45 s THR 94 CO -0.06 -0.23 0.35 0.35 -0.69 0.00 0.00 174.62 174.34