#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 0.00 -2.39 1.61 -0.02 -1.26 -4.67 135.00 128.27 2h45 n PRO 2 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 2h45 n PRO 2 Cb 0.00 -0.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2h45 s LEU 3 N -0.43 3.58 0.00 2.45 1.43 -1.26 -5.08 118.68 119.36 2h45 s LEU 3 Ca 0.00 1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 54.47 2h45 s LEU 3 Cb 0.00 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.90 2h45 s LEU 3 CO 0.00 -0.61 0.16 0.61 0.23 0.00 0.00 176.35 176.74 2h45 n GLY 4 N -1.85 -0.60 2.50 -3.19 0.00 -1.26 -4.85 105.19 95.94 2h45 n GLY 4 Ca 0.05 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.08 -6.64 -4.02 1.61 3.41 -1.26 -5.06 113.62 98.58 2h45 n SER 5 Ca 0.02 0.72 -0.20 0.00 -0.26 0.00 0.00 58.87 59.15 2h45 n SER 5 Cb 0.08 -4.39 -0.15 0.00 -0.26 0.00 0.00 64.21 59.49 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 -1.82 0.91 -0.43 7.33 3.76 -1.26 -5.08 115.29 118.69 2h45 s HIS 6 Ca 0.11 -0.19 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 2h45 s HIS 6 Cb -0.03 -0.61 0.26 0.00 1.11 0.00 0.00 32.58 33.31 2h45 s HIS 6 CO 0.60 -0.05 0.71 1.28 -0.85 0.00 0.00 174.74 176.43 2h45 n LEU 7 N 3.02 -1.07 0.00 0.89 4.77 -1.26 -5.03 117.00 118.32 2h45 n LEU 7 Ca -0.15 -4.15 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 2h45 n LEU 7 Cb 0.56 0.74 0.00 0.00 -2.33 0.00 0.00 43.42 42.39 2h45 n LEU 7 CO 0.25 2.06 0.00 0.52 -1.33 0.00 0.00 177.39 178.89 2h45 n VAL 8 N 1.34 0.00 -3.63 4.08 0.31 -1.26 -4.89 118.33 114.28 2h45 n VAL 8 Ca 0.16 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2h45 n VAL 8 Cb 0.59 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h45 n ALA 9 N -1.25 -0.99 1.32 3.52 0.00 -1.26 -4.70 120.51 117.14 2h45 n ALA 9 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2h45 n ALA 9 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 2h45 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2h45 n THR 10 N -0.93 0.04 -0.12 0.00 -2.24 -1.26 -4.12 114.28 105.66 2h45 n THR 10 Ca 0.00 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.29 2h45 n THR 10 Cb 0.00 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 2h45 n THR 10 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2h45 n SER 11 N 0.50 1.74 -2.93 3.42 2.88 -1.26 -4.95 113.62 113.01 2h45 n SER 11 Ca 0.18 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2h45 n SER 11 Cb 0.42 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2h45 n SER 11 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2h45 n GLU 12 N -3.11 -0.94 0.00 -1.46 2.13 -1.26 -4.50 120.64 111.51 2h45 n GLU 12 Ca -0.41 -0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.12 2h45 n GLU 12 Cb 0.99 0.52 0.00 0.00 0.27 0.00 0.00 31.44 33.22 2h45 n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2h45 n SER 13 N 0.62 0.00 -4.71 4.31 2.88 -1.26 -3.58 113.62 111.88 2h45 n SER 13 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2h45 n SER 13 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2h45 n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2h45 s VAL 14 N -3.61 5.19 0.00 2.46 -7.23 -1.26 -4.43 120.40 111.52 2h45 s VAL 14 Ca 0.00 0.88 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2h45 s VAL 14 Cb 0.00 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.15 2h45 s VAL 14 CO 0.00 0.30 0.00 1.07 -0.31 0.00 0.00 175.10 176.16 2h45 n THR 15 N 3.86 0.00 -0.22 5.32 5.66 -1.23 -4.91 114.28 122.76 2h45 n THR 15 Ca -0.07 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2h45 n THR 15 Cb 0.51 0.00 0.29 0.00 -1.55 0.00 0.00 70.33 69.58 2h45 n THR 15 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2h45 h GLU 16 N 0.00 0.88 0.00 1.09 4.39 -1.93 -3.44 114.58 115.56 2h45 h GLU 16 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2h45 h GLU 16 Cb 0.00 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2h45 h GLU 16 CO 0.00 0.58 0.00 -0.89 -1.16 0.00 0.00 179.01 177.54 2h45 n ILE 17 N -4.46 0.00 -1.71 3.13 5.41 -1.26 -4.84 119.36 115.64 2h45 n ILE 17 Ca 0.10 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.43 2h45 n ILE 17 Cb 0.14 -0.43 -0.03 0.00 -0.71 0.00 0.00 39.64 38.62 2h45 n ILE 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2h45 n THR 18 N -0.85 0.10 -2.11 1.39 -1.04 -1.26 0.00 114.28 110.51 2h45 n THR 18 Ca 0.00 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.82 2h45 n THR 18 Cb 0.17 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 66.68 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2h45 n ALA 19 N 4.40 -0.44 -2.61 2.41 0.00 -1.26 -0.91 120.51 122.10 2h45 n ALA 19 Ca 0.17 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 2h45 n ALA 19 Cb 0.35 -1.87 -0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.16 -4.84 -4.78 0.00 3.41 0.10 -2.22 113.62 104.12 2h45 n SER 20 Ca -0.20 -0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.00 2h45 n SER 20 Cb 0.63 -4.04 -0.01 0.00 -0.26 0.00 0.00 64.21 60.54 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 -2.20 6.47 0.25 4.04 1.04 -0.09 -4.53 113.70 118.68 2h45 s SER 21 Ca 0.08 2.91 -0.02 0.00 0.48 0.00 0.00 55.95 59.41 2h45 s SER 21 Cb -0.04 -2.66 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 2h45 s SER 21 CO 0.10 -0.77 0.46 -0.36 0.98 0.00 0.00 173.24 173.66 2h45 s PHE 22 N -1.14 3.48 -0.27 5.02 0.40 -0.01 -4.28 117.98 121.18 2h45 s PHE 22 Ca 0.52 0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 57.26 2h45 s PHE 22 Cb -0.44 -1.93 0.09 0.00 0.51 0.00 0.00 43.02 41.25 2h45 s PHE 22 CO 0.59 0.28 0.07 0.08 0.70 0.00 0.00 175.22 176.94 2h45 s VAL 23 N -2.00 0.77 -0.10 -0.44 1.01 -1.26 0.08 120.40 118.45 2h45 s VAL 23 Ca 0.40 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2h45 s VAL 23 Cb -0.11 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2h45 s VAL 23 CO 0.30 -0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.12 2h45 s VAL 24 N 1.70 3.60 0.10 2.92 1.01 -0.77 -4.90 120.40 124.05 2h45 s VAL 24 Ca 0.06 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2h45 s VAL 24 Cb -0.17 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2h45 s VAL 24 CO -0.20 0.55 -0.18 -0.94 0.00 0.00 0.00 175.10 174.34 2h45 s SER 25 N -0.26 2.23 0.00 3.32 1.04 -1.26 -1.38 113.70 117.39 2h45 s SER 25 Ca 0.03 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2h45 s SER 25 Cb -0.13 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2h45 s SER 25 CO 0.03 -0.02 0.00 -2.67 0.98 0.00 0.00 173.24 171.56 2h45 n TRP 26 N 0.99 -0.22 -5.22 5.02 2.14 -0.73 -5.00 117.44 114.42 2h45 n TRP 26 Ca -0.19 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.07 2h45 n TRP 26 Cb 0.54 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.88 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 -2.16 2.00 -0.97 -1.67 1.01 -1.26 -4.77 120.40 112.58 2h45 s VAL 27 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2h45 s VAL 27 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2h45 s VAL 27 CO 0.00 0.55 0.30 -1.54 0.00 0.00 0.00 175.10 174.41 2h45 n SER 28 N 3.14 0.00 -1.11 3.32 3.41 -1.26 -4.71 113.62 116.40 2h45 n SER 28 Ca -0.18 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2h45 n SER 28 Cb 0.52 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2h45 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h45 n ALA 29 N -0.80 -0.34 0.00 7.33 0.00 -1.26 -2.57 120.51 122.87 2h45 n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h45 n ALA 29 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.26 0.00 0.00 0.00 7.64 -1.26 -4.98 113.62 115.28 2h45 n SER 30 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h45 n SER 30 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2h45 n SER 30 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2h45 n ASP 31 N 0.00 0.00 -0.05 6.43 2.03 -1.06 -4.60 116.55 119.30 2h45 n ASP 31 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 2h45 n ASP 31 Cb 0.00 0.00 0.90 0.00 -0.72 0.00 0.00 41.12 41.30 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2h45 n THR 32 N 0.00 0.00 -1.82 5.18 -2.24 -1.26 -4.86 114.28 109.28 2h45 n THR 32 Ca 0.00 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 2h45 n THR 32 Cb 0.00 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 2h45 n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2h45 s VAL 33 N -2.00 2.09 -0.74 2.28 0.11 -1.26 -3.53 120.40 117.35 2h45 s VAL 33 Ca 0.47 0.09 0.23 0.00 -2.93 0.00 0.00 61.98 59.83 2h45 s VAL 33 Cb 0.22 -3.06 -0.14 0.00 -1.53 0.00 0.00 36.38 31.87 2h45 s VAL 33 CO 0.36 0.02 1.02 -1.20 -3.33 0.00 0.00 175.10 171.97 2h45 n SER 34 N 0.85 0.66 0.00 3.54 7.64 1.08 -4.59 113.62 122.80 2h45 n SER 34 Ca 0.02 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2h45 n SER 34 Cb 0.39 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 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 1.42 -0.63 3.21 0.23 0.00 -1.12 -3.29 105.19 105.01 2h45 n GLY 35 Ca 0.03 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 1.38 -0.08 1.61 0.08 0.34 0.22 117.98 119.52 2h45 s PHE 36 Ca 0.00 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.58 2h45 s PHE 36 Cb 0.00 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.72 2h45 s PHE 36 CO 0.00 0.11 -0.10 0.50 -0.10 0.00 0.00 175.22 175.64 2h45 s ARG 37 N -2.07 1.53 -0.12 0.44 3.52 0.14 0.31 118.95 122.70 2h45 s ARG 37 Ca 0.03 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.28 2h45 s ARG 37 Cb -0.08 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 2h45 s ARG 37 CO 0.03 -0.10 -0.01 0.08 -0.81 0.00 0.00 175.30 174.49 2h45 s VAL 38 N 1.10 4.17 -0.09 7.11 1.01 0.89 -0.11 120.40 134.48 2h45 s VAL 38 Ca -0.07 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2h45 s VAL 38 Cb -0.14 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2h45 s VAL 38 CO -0.01 0.54 -0.14 -0.70 0.00 0.00 0.00 175.10 174.78 2h45 s GLU 39 N -0.22 2.06 0.00 2.72 2.12 0.03 -0.62 118.70 124.79 2h45 s GLU 39 Ca 0.05 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.88 2h45 s GLU 39 Cb -0.13 -1.72 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 2h45 s GLU 39 CO 0.02 -0.01 -0.05 1.52 -0.54 0.00 0.00 175.26 176.20 2h45 s TYR 40 N 0.83 0.41 0.12 5.30 1.13 -1.01 -0.63 117.35 123.50 2h45 s TYR 40 Ca -0.11 -0.11 -0.10 0.00 -1.41 0.00 0.00 57.07 55.34 2h45 s TYR 40 Cb -0.15 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.44 2h45 s TYR 40 CO 0.01 -0.01 0.26 -1.83 -2.51 0.00 0.00 175.55 171.47 2h45 s GLU 41 N -0.23 1.00 -0.00 -3.49 -1.05 -0.94 -2.23 118.70 111.76 2h45 s GLU 41 Ca 0.01 -1.00 -0.30 0.00 -0.15 0.00 0.00 54.97 53.53 2h45 s GLU 41 Cb -0.02 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2h45 s GLU 41 CO -0.00 -0.35 1.17 -0.51 0.95 0.00 0.00 175.26 176.52 2h45 s LEU 42 N -2.89 4.33 0.00 1.83 1.43 -1.26 -0.62 118.68 121.49 2h45 s LEU 42 Ca 0.09 1.87 0.23 0.00 -1.03 0.00 0.00 54.13 55.29 2h45 s LEU 42 Cb 0.04 -3.57 0.99 0.00 0.03 0.00 0.00 46.19 43.68 2h45 s LEU 42 CO -0.07 -0.49 1.74 -1.54 0.23 0.00 0.00 176.35 176.21 2h45 n SER 43 N 4.52 0.00 0.00 2.29 3.41 0.22 -2.22 113.62 121.84 2h45 n SER 43 Ca 0.09 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2h45 n SER 43 Cb 0.47 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2h45 n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h45 n GLU 44 N -1.49 0.00 0.04 4.33 1.02 -1.26 -4.72 120.64 118.57 2h45 n GLU 44 Ca 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.21 2h45 n GLU 44 Cb 0.26 -0.21 0.33 0.00 -0.02 0.00 0.00 31.44 31.80 2h45 n GLU 44 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2h45 h GLU 45 N 0.00 0.43 -0.84 3.49 5.08 -1.93 -3.47 114.58 117.34 2h45 h GLU 45 Ca 0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2h45 h GLU 45 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2h45 h GLU 45 CO 0.00 0.49 -0.11 0.41 -1.00 0.00 0.00 179.01 178.81 2h45 n GLY 46 N -0.88 0.31 3.05 -3.84 0.00 -0.94 -5.02 105.19 97.86 2h45 n GLY 46 Ca 0.01 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 2h45 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h45 n ASP 47 N 1.13 -3.29 -4.77 1.61 2.03 -1.26 -4.87 116.55 107.14 2h45 n ASP 47 Ca -0.04 -0.51 -0.39 0.00 0.52 0.00 0.00 54.79 54.37 2h45 n ASP 47 Cb 0.53 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2h45 s GLU 48 N -3.84 4.32 0.46 -0.67 -1.05 -1.26 -4.64 118.70 112.02 2h45 s GLU 48 Ca 0.42 1.89 -0.23 0.00 -0.15 0.00 0.00 54.97 56.90 2h45 s GLU 48 Cb -0.07 -2.92 -0.07 0.00 -0.44 0.00 0.00 34.13 30.62 2h45 s GLU 48 CO 0.36 -0.11 1.17 -1.25 0.95 0.00 0.00 175.26 176.39 2h45 s PRO 49 N -1.93 3.74 0.06 -4.83 0.04 -1.26 -4.87 135.00 125.95 2h45 s PRO 49 Ca 0.51 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.41 2h45 s PRO 49 Cb -0.32 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 2h45 s PRO 49 CO 0.42 -0.57 -0.14 -0.65 0.04 0.00 0.00 177.00 176.10 2h45 s GLN 50 N -2.71 2.13 -0.04 4.56 -0.21 -0.95 -4.97 119.66 117.48 2h45 s GLN 50 Ca 0.64 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 55.10 2h45 s GLN 50 Cb -0.29 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 2h45 s GLN 50 CO 0.35 0.53 -0.22 0.71 -2.12 0.00 0.00 175.29 174.54 2h45 s TYR 51 N -1.05 2.08 -0.10 0.91 2.02 -1.26 -2.40 117.35 117.56 2h45 s TYR 51 Ca 0.17 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2h45 s TYR 51 Cb -0.11 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 2h45 s TYR 51 CO 0.09 -0.14 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.25 2h45 s LEU 52 N -0.23 1.79 -0.17 -1.29 1.43 0.21 -4.94 118.68 115.48 2h45 s LEU 52 Ca 0.00 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2h45 s LEU 52 Cb -0.11 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 2h45 s LEU 52 CO 0.02 0.05 0.17 -1.81 0.23 0.00 0.00 176.35 175.01 2h45 s ASP 53 N 0.80 6.30 0.13 2.29 1.01 -1.26 -0.08 116.67 125.86 2h45 s ASP 53 Ca -0.10 0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.57 2h45 s ASP 53 Cb -0.16 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2h45 s ASP 53 CO 0.01 0.21 -0.16 -0.76 0.21 0.00 0.00 175.17 174.68 2h45 s LEU 54 N 0.11 2.40 0.77 1.23 1.43 0.15 -4.97 118.68 119.80 2h45 s LEU 54 Ca 0.11 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 2h45 s LEU 54 Cb -0.12 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.50 2h45 s LEU 54 CO 0.01 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.42 2h45 s PRO 55 N -2.62 2.27 0.31 1.29 0.04 -1.26 0.13 135.00 135.15 2h45 s PRO 55 Ca 0.10 1.19 0.21 0.00 0.04 0.00 0.00 61.00 62.54 2h45 s PRO 55 Cb -0.06 -1.90 1.12 0.00 0.04 0.00 0.00 34.50 33.71 2h45 s PRO 55 CO 0.04 -1.64 1.64 -1.13 0.04 0.00 0.00 177.00 175.95 2h45 n SER 56 N -3.46 0.55 -0.22 6.66 3.41 -1.21 -0.56 113.62 118.79 2h45 n SER 56 Ca 0.09 0.75 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 2h45 n SER 56 Cb 0.53 -0.82 0.37 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.23 0.00 -3.05 6.66 -2.24 -1.26 -4.88 114.28 107.28 2h45 n THR 57 Ca -0.01 -0.12 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 2h45 n THR 57 Cb 0.04 0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.54 3.47 0.00 6.98 0.00 0.28 -4.96 121.76 124.99 2h45 s ALA 58 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2h45 s ALA 58 Cb 0.19 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2h45 s ALA 58 CO 0.53 0.29 0.73 0.25 0.00 0.00 0.00 175.76 177.57 2h45 n THR 59 N 1.78 0.49 -3.57 0.00 -2.24 -1.26 -4.82 114.28 104.66 2h45 n THR 59 Ca -0.06 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 2h45 n THR 59 Cb 0.49 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.49 -0.41 -0.05 3.42 1.04 -1.26 -1.77 113.70 114.19 2h45 s SER 60 Ca 0.00 0.44 -0.15 0.00 0.48 0.00 0.00 55.95 56.72 2h45 s SER 60 Cb 0.00 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.49 2h45 s SER 60 CO 0.00 -0.38 0.34 0.54 0.98 0.00 0.00 173.24 174.72 2h45 s VAL 61 N -1.16 0.04 -0.20 5.02 0.11 -0.48 -5.01 120.40 118.72 2h45 s VAL 61 Ca -0.03 -0.33 -0.08 0.00 -2.93 0.00 0.00 61.98 58.61 2h45 s VAL 61 Cb -0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2h45 s VAL 61 CO 0.03 -0.18 0.09 0.21 -3.33 0.00 0.00 175.10 171.91 2h45 s ASN 62 N -0.94 5.70 -0.49 3.54 3.84 -1.26 -1.85 114.94 123.49 2h45 s ASN 62 Ca -0.10 0.06 -0.13 0.00 0.21 0.00 0.00 52.86 52.90 2h45 s ASN 62 Cb -0.04 -2.00 0.10 0.00 -0.55 0.00 0.00 41.25 38.77 2h45 s ASN 62 CO 0.04 0.12 0.40 -0.63 -2.79 0.00 0.00 177.10 174.24 2h45 s ILE 63 N 0.68 4.81 0.45 -5.21 1.01 0.11 -4.91 121.20 118.14 2h45 s ILE 63 Ca 0.05 -1.44 -0.04 0.00 0.00 0.00 0.00 60.65 59.21 2h45 s ILE 63 Cb -0.13 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.41 2h45 s ILE 63 CO 0.02 -0.72 0.61 -0.81 0.00 0.00 0.00 174.94 174.04 2h45 n PRO 64 N 5.10 -0.19 -3.59 2.79 -0.04 -1.26 -0.83 135.00 136.98 2h45 n PRO 64 Ca -0.12 -1.29 -0.25 0.00 -0.04 0.00 0.00 63.50 61.80 2h45 n PRO 64 Cb 0.42 -0.52 0.06 0.00 -0.04 0.00 0.00 33.50 33.41 2h45 n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2h45 n ASP 65 N -3.18 -5.88 -4.89 3.54 8.00 -1.26 -4.93 116.55 107.96 2h45 n ASP 65 Ca 0.09 -0.56 -0.30 0.00 0.71 0.00 0.00 54.79 54.73 2h45 n ASP 65 Cb 0.31 -4.66 -0.04 0.00 -0.02 0.00 0.00 41.12 36.71 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 -7.20 4.08 -0.46 0.64 1.43 -0.94 -5.05 118.68 111.18 2h45 s LEU 66 Ca 0.56 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 2h45 s LEU 66 Cb -0.26 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.35 2h45 s LEU 66 CO 0.70 -0.16 0.53 -0.76 0.23 0.00 0.00 176.35 176.88 2h45 s LEU 67 N -3.25 4.91 0.32 1.79 1.43 -1.26 -4.53 118.68 118.10 2h45 s LEU 67 Ca 0.46 -0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 2h45 s LEU 67 Cb -0.11 -2.44 -0.13 0.00 0.03 0.00 0.00 46.19 43.54 2h45 s LEU 67 CO 0.26 -0.72 1.06 -2.65 0.23 0.00 0.00 176.35 174.53 2h45 n PRO 68 N 5.86 1.50 -0.83 1.29 -0.02 -1.26 -2.07 135.00 139.46 2h45 n PRO 68 Ca -0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2h45 n PRO 68 Cb 0.46 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.13 0.54 3.24 -1.23 0.00 -1.26 -5.04 105.19 102.56 2h45 n GLY 69 Ca 0.09 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.88 1.44 -0.15 1.61 1.81 -0.88 -4.99 118.95 116.91 2h45 s ARG 70 Ca 0.00 -0.88 -0.09 0.00 -1.72 0.00 0.00 55.73 53.03 2h45 s ARG 70 Cb 0.00 -1.51 -0.05 0.00 -0.45 0.00 0.00 34.95 32.94 2h45 s ARG 70 CO 0.00 0.39 0.17 0.21 -0.68 0.00 0.00 175.30 175.39 2h45 s LYS 71 N -1.00 3.86 0.09 3.54 2.20 -1.26 -2.70 119.74 124.46 2h45 s LYS 71 Ca 0.07 -0.11 0.09 0.00 -0.36 0.00 0.00 55.97 55.67 2h45 s LYS 71 Cb -0.09 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2h45 s LYS 71 CO 0.01 0.52 -0.25 0.71 -0.36 0.00 0.00 175.35 175.99 2h45 s TYR 72 N -0.31 2.12 -0.19 4.03 1.51 -0.66 -0.61 117.35 123.25 2h45 s TYR 72 Ca 0.13 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2h45 s TYR 72 Cb -0.12 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2h45 s TYR 72 CO 0.02 0.22 0.03 0.42 -1.11 0.00 0.00 175.55 175.13 2h45 s ILE 73 N -0.98 4.39 -0.06 2.71 1.01 0.20 -2.03 121.20 126.44 2h45 s ILE 73 Ca 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2h45 s ILE 73 Cb -0.10 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2h45 s ILE 73 CO 0.04 0.45 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 2h45 s VAL 74 N 0.60 2.63 -0.05 2.92 1.01 0.83 -2.21 120.40 126.13 2h45 s VAL 74 Ca 0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2h45 s VAL 74 Cb -0.13 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2h45 s VAL 74 CO 0.02 0.57 -0.02 0.20 0.00 0.00 0.00 175.10 175.87 2h45 s ASN 75 N -0.32 1.12 -0.16 3.32 0.01 0.20 -0.69 114.94 118.41 2h45 s ASN 75 Ca 0.02 -0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 52.01 2h45 s ASN 75 Cb -0.13 -0.41 -0.04 0.00 0.41 0.00 0.00 41.25 41.09 2h45 s ASN 75 CO 0.02 -0.12 0.04 -0.69 -1.51 0.00 0.00 177.10 174.85 2h45 s VAL 76 N 1.35 4.59 -0.01 1.60 1.01 0.19 -0.79 120.40 128.35 2h45 s VAL 76 Ca -0.04 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2h45 s VAL 76 Cb -0.13 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2h45 s VAL 76 CO -0.02 0.49 -0.25 -0.31 0.00 0.00 0.00 175.10 175.01 2h45 s TYR 77 N 0.13 2.26 -0.13 5.22 2.02 0.85 -1.61 117.35 126.08 2h45 s TYR 77 Ca 0.03 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2h45 s TYR 77 Cb -0.13 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2h45 s TYR 77 CO 0.01 -0.01 0.02 1.14 -1.57 0.00 0.00 175.55 175.14 2h45 s GLN 78 N -0.72 3.42 -0.27 -0.62 -2.07 -0.80 0.26 119.66 118.86 2h45 s GLN 78 Ca 0.10 -0.39 -0.11 0.00 -1.82 0.00 0.00 55.36 53.14 2h45 s GLN 78 Cb -0.10 -2.96 -0.05 0.00 -1.09 0.00 0.00 33.01 28.81 2h45 s GLN 78 CO -0.00 0.51 0.18 0.42 -1.32 0.00 0.00 175.29 175.07 2h45 s ILE 79 N -0.33 5.29 0.80 3.63 1.01 0.13 -2.57 121.20 129.16 2h45 s ILE 79 Ca 0.07 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.78 2h45 s ILE 79 Cb -0.12 -3.50 0.10 0.00 0.01 0.00 0.00 42.46 38.95 2h45 s ILE 79 CO 0.02 0.28 1.14 -0.94 0.00 0.00 0.00 174.94 175.44 2h45 s SER 80 N 1.53 4.34 0.65 3.58 1.04 -0.33 0.35 113.70 124.85 2h45 s SER 80 Ca 0.07 0.51 0.43 0.00 0.48 0.00 0.00 55.95 57.45 2h45 s SER 80 Cb -0.15 -0.97 2.36 0.00 0.10 0.00 0.00 66.02 67.36 2h45 s SER 80 CO 0.09 -1.96 2.33 -0.33 0.98 0.00 0.00 173.24 174.35 2h45 h GLU 81 N -0.98 0.00 -0.01 4.02 5.08 -1.90 0.25 114.58 121.03 2h45 h GLU 81 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2h45 h GLU 81 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2h45 h GLU 81 CO 0.57 0.00 -0.16 -0.40 -1.00 0.00 0.00 179.01 178.03 2h45 n ASP 82 N -3.02 1.37 0.00 1.42 5.68 -1.26 -4.92 116.55 115.82 2h45 n ASP 82 Ca -0.03 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 2h45 n ASP 82 Cb 0.07 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 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 1.28 0.65 3.81 6.12 0.00 0.89 -5.05 105.19 112.88 2h45 n GLY 83 Ca 0.15 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.65 4.35 -0.05 1.61 0.41 -1.26 -4.76 118.70 118.36 2h45 s GLU 84 Ca 0.00 1.03 0.02 0.00 -0.41 0.00 0.00 54.97 55.61 2h45 s GLU 84 Cb 0.00 -2.77 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 2h45 s GLU 84 CO 0.00 0.31 -0.09 -0.65 -0.49 0.00 0.00 175.26 174.34 2h45 s GLN 85 N -2.15 2.63 -0.01 1.61 -0.21 -1.26 -1.19 119.66 119.08 2h45 s GLN 85 Ca 0.48 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 55.24 2h45 s GLN 85 Cb -0.16 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.35 2h45 s GLN 85 CO 0.21 0.64 -0.02 0.45 -2.12 0.00 0.00 175.29 174.46 2h45 s SER 86 N -0.89 0.37 -0.14 5.90 0.15 -1.06 -4.92 113.70 113.11 2h45 s SER 86 Ca 0.13 -0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.45 2h45 s SER 86 Cb -0.11 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 2h45 s SER 86 CO 0.02 -0.03 1.44 -0.22 1.20 0.00 0.00 173.24 175.66 2h45 s LEU 87 N 0.44 4.19 -0.07 3.45 2.96 -1.26 -1.91 118.68 126.47 2h45 s LEU 87 Ca -0.04 1.87 0.10 0.00 -0.22 0.00 0.00 54.13 55.84 2h45 s LEU 87 Cb -0.07 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.93 2h45 s LEU 87 CO -0.01 -0.88 0.12 2.30 -1.32 0.00 0.00 176.35 176.56 2h45 n ILE 88 N 5.55 0.45 -3.65 6.68 -5.35 -0.64 -5.00 119.36 117.41 2h45 n ILE 88 Ca 0.16 -0.38 -0.05 0.00 -0.27 0.00 0.00 62.75 62.20 2h45 n ILE 88 Cb 0.44 -0.35 -0.07 0.00 -1.74 0.00 0.00 39.64 37.93 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 -4.41 -0.87 -0.08 7.28 2.96 -1.21 -4.89 118.68 117.46 2h45 s LEU 89 Ca -0.05 1.33 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 2h45 s LEU 89 Cb 0.05 1.96 0.03 0.00 0.50 0.00 0.00 46.19 48.72 2h45 s LEU 89 CO 0.46 -0.22 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.70 2h45 s SER 90 N 2.45 1.63 0.14 3.68 0.15 -1.26 0.56 113.70 121.04 2h45 s SER 90 Ca -0.06 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.33 2h45 s SER 90 Cb -0.10 -0.52 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 2h45 s SER 90 CO -0.17 -0.16 0.34 0.28 1.20 0.00 0.00 173.24 174.73 2h45 s THR 91 N 1.80 0.08 0.15 6.45 -1.32 0.14 -5.00 115.64 117.94 2h45 s THR 91 Ca 0.03 -0.99 0.11 0.00 -1.21 0.00 0.00 61.69 59.63 2h45 s THR 91 Cb -0.13 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.35 2h45 s THR 91 CO -0.05 -0.35 -0.24 -0.94 -2.21 0.00 0.00 174.62 170.82 2h45 s SER 92 N -2.88 3.20 0.08 8.08 1.04 -1.26 -0.12 113.70 121.83 2h45 s SER 92 Ca 0.09 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 2h45 s SER 92 Cb 0.02 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2h45 s SER 92 CO -0.07 0.12 0.12 -1.10 0.98 0.00 0.00 173.24 173.29 2h45 s GLN 93 N -2.34 0.78 -0.26 4.02 -0.21 -0.86 -5.00 119.66 115.78 2h45 s GLN 93 Ca 0.16 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.51 2h45 s GLN 93 Cb -0.09 0.30 0.06 0.00 1.00 0.00 0.00 33.01 34.28 2h45 s GLN 93 CO 0.07 -0.22 -0.10 0.99 -2.12 0.00 0.00 175.29 173.91 2h45 s THR 94 N -3.89 2.15 0.00 -0.19 2.01 -1.26 -1.65 115.64 112.80 2h45 s THR 94 Ca 0.06 -1.66 0.00 0.00 0.31 0.00 0.00 61.69 60.40 2h45 s THR 94 Cb 0.06 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2h45 s THR 94 CO -0.10 -0.07 0.00 0.35 -0.69 0.00 0.00 174.62 174.11