#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 0.55 -3.37 1.61 -0.02 -1.26 -4.96 135.00 127.54 2h45 n PRO 2 Ca 0.00 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.33 2h45 n PRO 2 Cb 0.00 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.27 4.40 0.00 2.45 1.43 -1.26 -5.09 118.68 120.87 2h45 s LEU 3 Ca 0.70 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2h45 s LEU 3 Cb -0.43 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2h45 s LEU 3 CO 0.53 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.89 2h45 n GLY 4 N 1.12 1.31 2.44 -3.19 0.00 -1.26 -4.58 105.19 101.03 2h45 n GLY 4 Ca -0.08 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h45 n SER 5 N -2.41 -4.83 -0.98 1.61 2.88 -1.26 -4.85 113.62 103.79 2h45 n SER 5 Ca 0.00 0.36 0.08 0.00 -1.33 0.00 0.00 58.87 57.98 2h45 n SER 5 Cb 0.00 -3.69 0.23 0.00 -0.75 0.00 0.00 64.21 60.00 2h45 n SER 5 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2h45 n HIS 6 N -2.63 0.74 -0.93 0.66 8.25 -1.26 -4.95 115.22 115.10 2h45 n HIS 6 Ca -0.15 -0.35 -0.35 0.00 -0.26 0.00 0.00 57.72 56.60 2h45 n HIS 6 Cb 0.51 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.65 2h45 n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2h45 n LEU 7 N 0.92 -4.05 0.00 2.41 4.77 -1.26 -4.42 117.00 115.38 2h45 n LEU 7 Ca 0.17 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2h45 n LEU 7 Cb 0.47 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2h45 n LEU 7 CO 0.12 -5.12 0.00 0.52 -1.33 0.00 0.00 177.39 171.59 2h45 n VAL 8 N -2.92 0.00 -1.64 4.08 0.31 -1.26 -4.17 118.33 112.74 2h45 n VAL 8 Ca 0.01 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.85 2h45 n VAL 8 Cb 0.56 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.44 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 -0.39 0.45 -2.18 3.52 0.00 -1.26 -4.97 120.51 115.68 2h45 n ALA 9 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 2h45 n ALA 9 Cb 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 2h45 n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2h45 s THR 10 N 0.92 0.31 0.00 0.00 -1.32 -1.26 -4.74 115.64 109.56 2h45 s THR 10 Ca 0.82 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 2h45 s THR 10 Cb -0.79 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 2h45 s THR 10 CO 0.42 -0.49 0.00 -1.20 -2.21 0.00 0.00 174.62 171.14 2h45 n SER 11 N -0.14 0.00 -4.41 8.08 7.64 -1.26 -3.57 113.62 119.96 2h45 n SER 11 Ca -0.06 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.45 2h45 n SER 11 Cb 0.63 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 2h45 n SER 11 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2h45 s GLU 12 N 0.00 3.54 0.00 1.43 2.02 -1.26 -4.95 118.70 119.47 2h45 s GLU 12 Ca 0.00 -0.55 0.19 0.00 0.02 0.00 0.00 54.97 54.63 2h45 s GLU 12 Cb 0.00 -3.28 0.57 0.00 0.10 0.00 0.00 34.13 31.52 2h45 s GLU 12 CO 0.00 -0.22 1.44 -1.13 0.02 0.00 0.00 175.26 175.37 2h45 n SER 13 N 4.90 2.21 0.00 -0.19 3.41 -1.23 -4.51 113.62 118.20 2h45 n SER 13 Ca -0.16 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 2h45 n SER 13 Cb 0.51 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2h45 n SER 13 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2h45 n VAL 14 N 0.68 0.00 0.00 -3.33 0.24 -1.26 -4.82 118.33 109.84 2h45 n VAL 14 Ca 0.16 0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 2h45 n VAL 14 Cb 0.39 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2h45 n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2h45 n THR 15 N -1.38 0.00 -0.07 3.34 -1.04 -1.26 -4.54 114.28 109.33 2h45 n THR 15 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2h45 n THR 15 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.00 0.14 -0.00 -2.82 0.28 -1.26 -3.29 120.64 113.69 2h45 n GLU 16 Ca 0.00 -0.04 0.08 0.00 -0.16 0.00 0.00 57.16 57.04 2h45 n GLU 16 Cb 0.00 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.28 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 2.33 0.00 -1.47 3.84 5.41 -1.26 -2.36 119.36 125.84 2h45 n ILE 17 Ca 0.02 -0.14 -0.56 0.00 1.00 0.00 0.00 62.75 63.06 2h45 n ILE 17 Cb 0.07 0.85 -0.09 0.00 -0.71 0.00 0.00 39.64 39.76 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 -1.53 0.15 -2.07 1.39 -1.04 -1.21 0.45 114.28 110.42 2h45 n THR 18 Ca 0.02 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.05 61.76 2h45 n THR 18 Cb 0.30 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.65 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 7.75 -0.40 -2.23 2.41 0.00 -1.26 -1.56 120.51 125.21 2h45 n ALA 19 Ca 0.41 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.85 2h45 n ALA 19 Cb 0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.89 -4.89 -3.22 0.00 3.41 1.56 -1.34 113.62 108.26 2h45 n SER 20 Ca -0.18 0.02 -0.24 0.00 -0.26 0.00 0.00 58.87 58.22 2h45 n SER 20 Cb 0.61 -3.99 0.22 0.00 -0.26 0.00 0.00 64.21 60.79 2h45 n SER 20 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2h45 n SER 21 N -1.10 -3.17 -3.73 4.04 3.41 -0.60 -4.48 113.62 107.99 2h45 n SER 21 Ca -0.19 -0.79 -0.13 0.00 -0.26 0.00 0.00 58.87 57.50 2h45 n SER 21 Cb 0.64 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 2h45 n SER 21 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2h45 s PHE 22 N -2.06 -0.45 -0.35 7.33 0.08 -0.92 -4.15 117.98 117.45 2h45 s PHE 22 Ca 0.53 1.09 0.01 0.00 0.12 0.00 0.00 56.93 58.68 2h45 s PHE 22 Cb -0.08 0.16 0.10 0.00 -0.57 0.00 0.00 43.02 42.62 2h45 s PHE 22 CO 0.43 -0.23 0.08 0.08 -0.10 0.00 0.00 175.22 175.49 2h45 s VAL 23 N 0.16 2.64 -0.09 -0.44 1.01 -1.26 -0.12 120.40 122.30 2h45 s VAL 23 Ca -0.00 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2h45 s VAL 23 Cb -0.03 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2h45 s VAL 23 CO 0.01 -0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 173.80 2h45 s VAL 24 N 1.02 3.61 0.13 2.92 1.01 -0.88 -4.98 120.40 123.24 2h45 s VAL 24 Ca 0.07 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.64 2h45 s VAL 24 Cb -0.20 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2h45 s VAL 24 CO -0.06 0.57 -0.21 -0.94 0.00 0.00 0.00 175.10 174.46 2h45 s SER 25 N -0.46 2.74 0.19 3.32 1.04 -1.26 -1.74 113.70 117.52 2h45 s SER 25 Ca 0.07 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2h45 s SER 25 Cb -0.12 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.83 2h45 s SER 25 CO 0.02 0.06 0.23 -2.67 0.98 0.00 0.00 173.24 171.86 2h45 n TRP 26 N 0.83 -0.77 -4.69 5.02 2.14 -0.53 -5.00 117.44 114.44 2h45 n TRP 26 Ca -0.17 -1.42 -0.33 0.00 2.07 0.00 0.00 57.50 57.65 2h45 n TRP 26 Cb 0.54 0.25 -0.13 0.00 -0.81 0.00 0.00 31.31 31.16 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 -2.69 3.34 0.44 -1.67 1.01 -1.26 -4.76 120.40 114.81 2h45 s VAL 27 Ca 0.19 -0.58 0.22 0.00 0.00 0.00 0.00 61.98 61.81 2h45 s VAL 27 Cb 0.00 -2.39 0.42 0.00 0.00 0.00 0.00 36.38 34.41 2h45 s VAL 27 CO 0.13 0.54 1.81 -1.28 0.00 0.00 0.00 175.10 176.30 2h45 h SER 28 N 6.22 0.34 0.00 3.32 0.87 -1.93 -3.44 113.55 118.93 2h45 h SER 28 Ca -0.34 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2h45 h SER 28 Cb 1.19 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2h45 h SER 28 CO 0.56 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 176.94 2h45 n ALA 29 N -2.55 0.00 -3.64 6.23 0.00 -1.26 -4.79 120.51 114.50 2h45 n ALA 29 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 2h45 n ALA 29 Cb 0.89 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 2h45 n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2h45 s SER 30 N -1.83 -0.40 0.00 0.00 0.01 -1.26 -5.01 113.70 105.21 2h45 s SER 30 Ca 0.00 0.67 0.25 0.00 1.31 0.00 0.00 55.95 58.19 2h45 s SER 30 Cb 0.00 0.99 0.95 0.00 0.21 0.00 0.00 66.02 68.17 2h45 s SER 30 CO 0.00 -0.11 1.68 -0.90 0.41 0.00 0.00 173.24 174.32 2h45 n ASP 31 N 3.03 1.53 -0.63 2.44 5.75 -1.26 -3.56 116.55 123.84 2h45 n ASP 31 Ca -0.16 -1.57 0.13 0.00 -0.01 0.00 0.00 54.79 53.18 2h45 n ASP 31 Cb 0.57 -0.04 0.39 0.00 -1.03 0.00 0.00 41.12 41.01 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2h45 n THR 32 N 0.21 0.10 -2.25 2.12 -2.24 -1.26 -4.92 114.28 106.04 2h45 n THR 32 Ca 0.18 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2h45 n THR 32 Cb 0.34 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.90 3.20 -0.59 2.28 0.11 -1.23 -2.43 120.40 119.84 2h45 s VAL 33 Ca 0.35 1.05 0.22 0.00 -2.93 0.00 0.00 61.98 60.67 2h45 s VAL 33 Cb 0.20 -3.67 -0.20 0.00 -1.53 0.00 0.00 36.38 31.19 2h45 s VAL 33 CO 0.31 0.18 0.87 -1.20 -3.33 0.00 0.00 175.10 171.93 2h45 n SER 34 N 2.15 0.58 0.00 3.54 7.64 1.23 -4.59 113.62 124.16 2h45 n SER 34 Ca 0.04 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2h45 n SER 34 Cb 0.43 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 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 1.38 -0.83 3.27 0.23 0.00 -1.12 -3.08 105.19 105.04 2h45 n GLY 35 Ca 0.01 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 1.57 -0.06 1.61 0.08 0.32 0.29 117.98 119.80 2h45 s PHE 36 Ca 0.00 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.58 2h45 s PHE 36 Cb 0.00 -0.83 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2h45 s PHE 36 CO 0.00 0.19 -0.09 0.50 -0.10 0.00 0.00 175.22 175.73 2h45 s ARG 37 N -2.39 1.34 -0.11 0.44 3.52 0.12 0.38 118.95 122.25 2h45 s ARG 37 Ca 0.08 -0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.41 2h45 s ARG 37 Cb -0.07 -1.19 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 2h45 s ARG 37 CO 0.04 -0.03 -0.10 0.08 -0.81 0.00 0.00 175.30 174.48 2h45 s VAL 38 N 0.83 3.35 -0.11 7.11 1.01 0.67 -0.40 120.40 132.86 2h45 s VAL 38 Ca -0.12 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2h45 s VAL 38 Cb -0.15 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.84 2h45 s VAL 38 CO 0.02 0.54 -0.20 -0.70 0.00 0.00 0.00 175.10 174.76 2h45 s GLU 39 N -0.06 2.70 -0.04 2.72 2.12 -0.51 -0.93 118.70 124.70 2h45 s GLU 39 Ca -0.01 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.58 2h45 s GLU 39 Cb -0.14 -2.14 0.02 0.00 0.26 0.00 0.00 34.13 32.13 2h45 s GLU 39 CO 0.03 0.06 -0.04 1.52 -0.54 0.00 0.00 175.26 176.30 2h45 s TYR 40 N 0.64 0.63 0.15 5.30 1.13 -1.06 -1.42 117.35 122.72 2h45 s TYR 40 Ca -0.13 -0.15 -0.05 0.00 -1.41 0.00 0.00 57.07 55.33 2h45 s TYR 40 Cb -0.16 -0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 40.10 2h45 s TYR 40 CO 0.03 -0.16 0.17 -1.83 -2.51 0.00 0.00 175.55 171.26 2h45 s GLU 41 N 0.84 1.04 -0.01 -3.49 -1.05 -0.99 -2.82 118.70 112.22 2h45 s GLU 41 Ca -0.11 -1.29 -0.30 0.00 -0.15 0.00 0.00 54.97 53.12 2h45 s GLU 41 Cb -0.13 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 2h45 s GLU 41 CO -0.00 -0.34 1.21 -0.51 0.95 0.00 0.00 175.26 176.57 2h45 s LEU 42 N -3.00 4.32 0.18 1.83 1.43 -1.26 0.10 118.68 122.28 2h45 s LEU 42 Ca 0.20 1.90 -0.06 0.00 -1.03 0.00 0.00 54.13 55.14 2h45 s LEU 42 Cb 0.05 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.79 2h45 s LEU 42 CO 0.00 -0.54 1.52 0.77 0.23 0.00 0.00 176.35 178.34 2h45 h SER 43 N 7.22 0.79 0.04 2.29 4.64 -0.66 -3.31 113.55 124.56 2h45 h SER 43 Ca -0.37 -0.37 -0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2h45 h SER 43 Cb 1.18 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2h45 h SER 43 CO 0.85 1.11 -0.02 -0.33 -0.87 0.00 0.00 176.83 177.57 2h45 h GLU 44 N 0.60 -0.05 -6.80 4.77 5.08 -1.92 -3.46 114.58 112.81 2h45 h GLU 44 Ca 0.04 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.91 2h45 h GLU 44 Cb 0.97 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2h45 h GLU 44 CO 0.09 0.29 0.11 -1.21 -1.00 0.00 0.00 179.01 177.30 2h45 s GLU 45 N -2.01 3.89 -0.37 2.33 2.02 -1.25 -4.98 118.70 118.33 2h45 s GLU 45 Ca -0.07 0.58 0.07 0.00 0.02 0.00 0.00 54.97 55.57 2h45 s GLU 45 Cb -0.01 -2.40 0.70 0.00 0.10 0.00 0.00 34.13 32.52 2h45 s GLU 45 CO 0.26 0.05 1.84 0.41 0.02 0.00 0.00 175.26 177.84 2h45 n GLY 46 N -0.86 3.96 3.08 -1.39 0.00 -1.26 -4.01 105.19 104.71 2h45 n GLY 46 Ca 0.03 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.55 -2.68 -4.76 1.61 2.03 -1.26 -4.85 116.55 106.09 2h45 n ASP 47 Ca 0.48 -0.13 -0.40 0.00 0.52 0.00 0.00 54.79 55.26 2h45 n ASP 47 Cb 1.50 -0.72 -0.04 0.00 -0.72 0.00 0.00 41.12 41.15 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 -2.82 4.56 0.56 -0.67 1.03 -1.26 -4.78 118.70 115.33 2h45 s GLU 48 Ca 0.40 1.91 -0.17 0.00 0.03 0.00 0.00 54.97 57.14 2h45 s GLU 48 Cb -0.02 -3.17 -0.05 0.00 -0.80 0.00 0.00 34.13 30.10 2h45 s GLU 48 CO 0.54 0.08 1.06 -1.25 -1.33 0.00 0.00 175.26 174.36 2h45 s PRO 49 N -1.37 3.44 0.03 -4.83 0.04 -1.26 -4.89 135.00 126.16 2h45 s PRO 49 Ca 0.46 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.86 2h45 s PRO 49 Cb -0.34 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2h45 s PRO 49 CO 0.43 -0.72 -0.24 -0.65 0.04 0.00 0.00 177.00 175.87 2h45 s GLN 50 N -3.80 1.93 -0.04 4.56 -0.21 -1.13 -5.00 119.66 115.97 2h45 s GLN 50 Ca 0.65 -1.04 0.06 0.00 0.02 0.00 0.00 55.36 55.04 2h45 s GLN 50 Cb -0.17 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.78 2h45 s GLN 50 CO 0.32 0.53 -0.21 0.71 -2.12 0.00 0.00 175.29 174.51 2h45 s TYR 51 N -0.81 2.04 -0.07 0.91 2.02 -1.26 -2.56 117.35 117.62 2h45 s TYR 51 Ca 0.12 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 2h45 s TYR 51 Cb -0.10 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 2h45 s TYR 51 CO 0.02 -0.15 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.17 2h45 s LEU 52 N -0.19 1.87 -0.12 -1.29 1.43 -0.11 -4.94 118.68 115.33 2h45 s LEU 52 Ca -0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2h45 s LEU 52 Cb -0.11 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2h45 s LEU 52 CO 0.02 0.11 0.02 -1.81 0.23 0.00 0.00 176.35 174.92 2h45 s ASP 53 N 0.35 5.31 0.14 2.29 1.01 -1.26 -0.24 116.67 124.28 2h45 s ASP 53 Ca -0.12 0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.29 2h45 s ASP 53 Cb -0.15 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 2h45 s ASP 53 CO 0.05 0.30 -0.12 -0.76 0.21 0.00 0.00 175.17 174.85 2h45 s LEU 54 N -0.41 2.47 0.74 1.23 1.43 0.16 -4.95 118.68 119.35 2h45 s LEU 54 Ca 0.08 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 2h45 s LEU 54 Cb -0.12 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.67 2h45 s LEU 54 CO 0.02 -0.23 1.09 -2.16 0.23 0.00 0.00 176.35 175.31 2h45 s PRO 55 N -3.18 2.42 0.20 1.29 0.04 -1.26 0.12 135.00 134.63 2h45 s PRO 55 Ca 0.13 1.22 0.13 0.00 0.04 0.00 0.00 61.00 62.52 2h45 s PRO 55 Cb -0.02 -1.91 0.70 0.00 0.04 0.00 0.00 34.50 33.31 2h45 s PRO 55 CO 0.02 -1.52 1.38 -1.13 0.04 0.00 0.00 177.00 175.79 2h45 n SER 56 N -3.22 0.33 -0.08 6.66 3.41 -1.18 -0.04 113.62 119.51 2h45 n SER 56 Ca 0.09 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2h45 n SER 56 Cb 0.53 -0.68 0.21 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.95 0.00 -2.89 6.66 -2.24 -1.26 -4.88 114.28 107.72 2h45 n THR 57 Ca -0.01 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 2h45 n THR 57 Cb 0.04 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.86 3.31 -0.01 6.98 0.00 0.95 -4.93 121.76 125.21 2h45 s ALA 58 Ca 0.14 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.49 2h45 s ALA 58 Cb 0.18 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.21 2h45 s ALA 58 CO 0.68 0.00 0.77 0.25 0.00 0.00 0.00 175.76 177.46 2h45 n THR 59 N 2.95 0.50 -3.60 0.00 -2.24 -1.26 -4.89 114.28 105.73 2h45 n THR 59 Ca -0.00 -0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 2h45 n THR 59 Cb 0.50 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.62 -0.56 -0.02 3.42 1.04 -1.26 -1.45 113.70 114.25 2h45 s SER 60 Ca 0.02 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.22 2h45 s SER 60 Cb 0.02 0.86 0.02 0.00 0.10 0.00 0.00 66.02 67.02 2h45 s SER 60 CO 0.00 -0.30 0.29 0.54 0.98 0.00 0.00 173.24 174.75 2h45 s VAL 61 N -0.27 0.06 -0.23 5.02 0.11 -0.71 -5.01 120.40 119.36 2h45 s VAL 61 Ca -0.01 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.49 2h45 s VAL 61 Cb -0.03 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2h45 s VAL 61 CO 0.00 -0.25 0.09 0.21 -3.33 0.00 0.00 175.10 171.83 2h45 s ASN 62 N -1.22 5.51 -0.50 3.54 3.04 -1.26 -2.07 114.94 121.98 2h45 s ASN 62 Ca -0.13 -0.06 -0.15 0.00 0.04 0.00 0.00 52.86 52.56 2h45 s ASN 62 Cb -0.05 -1.98 0.10 0.00 -1.54 0.00 0.00 41.25 37.77 2h45 s ASN 62 CO 0.04 0.03 0.44 -0.63 -3.04 0.00 0.00 177.10 173.94 2h45 s ILE 63 N 1.22 5.17 0.74 -5.21 1.01 0.83 -4.92 121.20 120.04 2h45 s ILE 63 Ca 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.43 2h45 s ILE 63 Cb -0.14 -4.19 0.15 0.00 0.01 0.00 0.00 42.46 38.28 2h45 s ILE 63 CO 0.04 -0.71 1.02 -2.16 0.00 0.00 0.00 174.94 173.13 2h45 s PRO 64 N 1.61 1.54 -1.31 2.79 0.04 -1.26 -2.17 135.00 136.24 2h45 s PRO 64 Ca 0.04 -1.29 -0.06 0.00 0.04 0.00 0.00 61.00 59.73 2h45 s PRO 64 Cb -0.27 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.94 2h45 s PRO 64 CO 0.05 -1.55 0.77 -0.25 0.04 0.00 0.00 177.00 176.05 2h45 n ASP 65 N -2.87 -5.76 -4.89 6.66 8.00 -1.26 -4.94 116.55 111.49 2h45 n ASP 65 Ca 0.17 -0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 2h45 n ASP 65 Cb 0.61 -4.50 -0.04 0.00 -0.02 0.00 0.00 41.12 37.17 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 -6.25 4.13 -0.24 0.64 1.43 -0.45 -5.05 118.68 112.89 2h45 s LEU 66 Ca 0.38 0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 53.97 2h45 s LEU 66 Cb -0.17 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2h45 s LEU 66 CO 0.47 -0.11 0.92 -0.76 0.23 0.00 0.00 176.35 177.10 2h45 s LEU 67 N -3.15 4.08 0.44 1.79 1.43 -1.26 -4.24 118.68 117.76 2h45 s LEU 67 Ca 0.44 1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 54.46 2h45 s LEU 67 Cb -0.11 -3.33 -0.08 0.00 0.03 0.00 0.00 46.19 42.70 2h45 s LEU 67 CO 0.26 -0.59 1.21 -2.16 0.23 0.00 0.00 176.35 175.30 2h45 s PRO 68 N 3.00 3.85 0.00 1.29 0.04 -1.26 -3.11 135.00 138.81 2h45 s PRO 68 Ca 0.39 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2h45 s PRO 68 Cb -0.15 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2h45 s PRO 68 CO 0.07 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2h45 n GLY 69 N 0.58 0.48 3.32 0.56 0.00 -1.26 -5.04 105.19 103.83 2h45 n GLY 69 Ca 0.06 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.03 1.23 -0.16 1.61 1.81 -1.18 -4.97 118.95 116.26 2h45 s ARG 70 Ca 0.00 -1.33 -0.07 0.00 -1.72 0.00 0.00 55.73 52.61 2h45 s ARG 70 Cb 0.00 -1.37 -0.04 0.00 -0.45 0.00 0.00 34.95 33.08 2h45 s ARG 70 CO 0.00 0.29 0.08 0.21 -0.68 0.00 0.00 175.30 175.21 2h45 s LYS 71 N -2.49 3.74 0.14 3.54 2.20 -1.26 -2.63 119.74 122.99 2h45 s LYS 71 Ca 0.13 -0.28 0.11 0.00 -0.36 0.00 0.00 55.97 55.57 2h45 s LYS 71 Cb -0.07 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2h45 s LYS 71 CO 0.06 0.46 -0.26 0.71 -0.36 0.00 0.00 175.35 175.97 2h45 s TYR 72 N -0.16 2.27 -0.21 4.03 1.51 -0.39 0.08 117.35 124.49 2h45 s TYR 72 Ca 0.08 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 2h45 s TYR 72 Cb -0.12 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 2h45 s TYR 72 CO 0.01 0.37 0.00 0.42 -1.11 0.00 0.00 175.55 175.24 2h45 s ILE 73 N -1.23 3.95 -0.08 2.71 1.01 0.11 -1.58 121.20 126.09 2h45 s ILE 73 Ca 0.15 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2h45 s ILE 73 Cb -0.09 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2h45 s ILE 73 CO 0.07 0.42 -0.17 -0.69 0.00 0.00 0.00 174.94 174.56 2h45 s VAL 74 N 1.08 2.72 -0.04 2.92 1.01 0.16 -2.34 120.40 125.90 2h45 s VAL 74 Ca 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2h45 s VAL 74 Cb -0.14 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2h45 s VAL 74 CO 0.02 0.56 -0.03 0.20 0.00 0.00 0.00 175.10 175.84 2h45 s ASN 75 N -0.14 0.82 -0.18 3.32 0.01 -0.50 -0.19 114.94 118.09 2h45 s ASN 75 Ca -0.02 -0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 51.97 2h45 s ASN 75 Cb -0.14 -0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.10 2h45 s ASN 75 CO 0.04 -0.06 0.01 -0.69 -1.51 0.00 0.00 177.10 174.88 2h45 s VAL 76 N 0.94 4.29 -0.02 1.60 1.01 0.83 -1.43 120.40 127.62 2h45 s VAL 76 Ca -0.11 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2h45 s VAL 76 Cb -0.14 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2h45 s VAL 76 CO -0.00 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.00 2h45 s TYR 77 N 0.49 2.28 -0.17 5.22 2.02 0.46 -1.98 117.35 125.67 2h45 s TYR 77 Ca -0.00 -0.46 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 2h45 s TYR 77 Cb -0.13 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 2h45 s TYR 77 CO 0.02 -0.06 0.11 1.14 -1.57 0.00 0.00 175.55 175.19 2h45 s GLN 78 N -0.55 3.87 -0.25 -0.62 -2.07 -0.84 0.15 119.66 119.35 2h45 s GLN 78 Ca 0.08 -0.23 -0.12 0.00 -1.82 0.00 0.00 55.36 53.27 2h45 s GLN 78 Cb -0.10 -3.28 -0.05 0.00 -1.09 0.00 0.00 33.01 28.49 2h45 s GLN 78 CO -0.01 0.45 0.24 0.42 -1.32 0.00 0.00 175.29 175.08 2h45 s ILE 79 N -0.10 5.29 0.72 3.63 1.01 0.15 -2.38 121.20 129.52 2h45 s ILE 79 Ca 0.09 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 2h45 s ILE 79 Cb -0.12 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.83 2h45 s ILE 79 CO 0.00 0.27 1.05 -0.94 0.00 0.00 0.00 174.94 175.32 2h45 s SER 80 N 1.36 4.85 0.66 3.58 1.04 -0.39 0.38 113.70 125.18 2h45 s SER 80 Ca 0.11 0.61 0.39 0.00 0.48 0.00 0.00 55.95 57.53 2h45 s SER 80 Cb -0.15 -1.26 2.16 0.00 0.10 0.00 0.00 66.02 66.87 2h45 s SER 80 CO 0.08 -1.61 2.24 -0.33 0.98 0.00 0.00 173.24 174.61 2h45 h GLU 81 N -0.68 0.00 -0.01 4.02 4.39 -1.81 0.29 114.58 120.78 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 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2h45 h GLU 81 CO 0.62 0.00 -0.15 -0.40 -1.16 0.00 0.00 179.01 177.92 2h45 n ASP 82 N -3.15 1.41 0.00 1.42 5.68 -1.26 -4.92 116.55 115.73 2h45 n ASP 82 Ca -0.02 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 2h45 n ASP 82 Cb 0.16 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 3.78 6.12 0.00 0.10 -5.05 105.19 112.08 2h45 n GLY 83 Ca 0.15 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.61 4.52 -0.08 1.61 0.41 -1.26 -4.77 118.70 118.53 2h45 s GLU 84 Ca 0.00 1.13 -0.03 0.00 -0.41 0.00 0.00 54.97 55.66 2h45 s GLU 84 Cb 0.00 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 2h45 s GLU 84 CO 0.00 0.52 0.04 -0.65 -0.49 0.00 0.00 175.26 174.68 2h45 s GLN 85 N -1.35 3.08 -0.05 1.61 -0.21 -1.26 -1.27 119.66 120.21 2h45 s GLN 85 Ca 0.38 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.40 2h45 s GLN 85 Cb -0.22 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 30.94 2h45 s GLN 85 CO 0.25 0.71 -0.04 0.45 -2.12 0.00 0.00 175.29 174.54 2h45 s SER 86 N -1.06 1.14 -0.22 5.90 0.15 -1.00 -4.92 113.70 113.69 2h45 s SER 86 Ca 0.15 -0.14 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 2h45 s SER 86 Cb -0.12 -0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 63.69 2h45 s SER 86 CO 0.05 -0.07 1.47 -0.22 1.20 0.00 0.00 173.24 175.67 2h45 s LEU 87 N 1.08 3.98 -0.05 3.45 2.96 -1.26 -1.99 118.68 126.85 2h45 s LEU 87 Ca -0.08 1.58 0.13 0.00 -0.22 0.00 0.00 54.13 55.53 2h45 s LEU 87 Cb -0.14 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.82 2h45 s LEU 87 CO -0.01 -1.09 0.22 2.30 -1.32 0.00 0.00 176.35 176.45 2h45 n ILE 88 N 6.09 0.27 -3.65 6.68 -5.35 -0.84 -4.99 119.36 117.58 2h45 n ILE 88 Ca 0.17 -0.39 -0.05 0.00 -0.27 0.00 0.00 62.75 62.22 2h45 n ILE 88 Cb 0.45 -0.08 -0.06 0.00 -1.74 0.00 0.00 39.64 38.22 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 -4.26 -0.98 -0.08 7.28 2.96 -1.22 -4.91 118.68 117.46 2h45 s LEU 89 Ca -0.05 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 2h45 s LEU 89 Cb 0.07 2.24 0.02 0.00 0.50 0.00 0.00 46.19 49.01 2h45 s LEU 89 CO 0.56 -0.23 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.70 2h45 s SER 90 N 2.26 1.97 0.11 3.68 0.15 -1.26 -0.12 113.70 120.49 2h45 s SER 90 Ca -0.08 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.09 2h45 s SER 90 Cb -0.09 -0.87 0.04 0.00 -1.71 0.00 0.00 66.02 63.39 2h45 s SER 90 CO -0.19 -0.01 0.41 0.28 1.20 0.00 0.00 173.24 174.93 2h45 s THR 91 N 0.99 0.07 0.16 6.45 -1.32 0.74 -5.01 115.64 117.71 2h45 s THR 91 Ca -0.08 -0.54 0.11 0.00 -1.21 0.00 0.00 61.69 59.97 2h45 s THR 91 Cb -0.15 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 2h45 s THR 91 CO -0.00 -0.30 -0.25 -0.94 -2.21 0.00 0.00 174.62 170.92 2h45 s SER 92 N -2.65 3.29 0.06 8.08 1.04 -1.26 0.35 113.70 122.61 2h45 s SER 92 Ca 0.01 -0.81 -0.05 0.00 0.48 0.00 0.00 55.95 55.58 2h45 s SER 92 Cb 0.01 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2h45 s SER 92 CO -0.10 0.13 0.09 -1.10 0.98 0.00 0.00 173.24 173.24 2h45 s GLN 93 N -2.38 0.68 -0.20 4.02 -0.21 -0.61 -4.98 119.66 115.98 2h45 s GLN 93 Ca 0.17 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.60 2h45 s GLN 93 Cb -0.09 0.26 0.04 0.00 1.00 0.00 0.00 33.01 34.22 2h45 s GLN 93 CO 0.08 -0.18 -0.12 0.99 -2.12 0.00 0.00 175.29 173.95 2h45 s THR 94 N -3.42 1.76 -1.94 -0.19 2.01 -1.26 -1.26 115.64 111.34 2h45 s THR 94 Ca 0.02 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.95 2h45 s THR 94 Cb 0.04 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2h45 s THR 94 CO -0.08 0.20 0.48 0.35 -0.69 0.00 0.00 174.62 174.88