#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 0.61 -3.24 1.61 -0.04 -1.26 -4.80 135.00 127.87 2h45 n PRO 2 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 2h45 n PRO 2 Cb 0.00 -1.20 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 2h45 n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2h45 n LEU 3 N 1.11 -4.06 0.00 1.53 7.94 -1.26 -5.01 117.00 117.25 2h45 n LEU 3 Ca 0.00 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2h45 n LEU 3 Cb 0.30 -1.97 0.00 0.00 0.53 0.00 0.00 43.42 42.28 2h45 n LEU 3 CO 0.00 -1.10 0.00 0.61 -1.11 0.00 0.00 177.39 175.79 2h45 n GLY 4 N 0.42 2.33 0.15 -3.96 0.00 -1.26 -4.97 105.19 97.89 2h45 n GLY 4 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.45 0.38 1.61 3.41 -1.26 -3.64 113.62 114.56 2h45 n SER 5 Ca 0.00 -1.32 -0.18 0.00 -0.26 0.00 0.00 58.87 57.11 2h45 n SER 5 Cb 0.00 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 2h45 n SER 5 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2h45 h HIS 6 N 0.64 -1.01 -0.03 7.33 -0.00 -2.00 -2.95 115.15 117.13 2h45 h HIS 6 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2h45 h HIS 6 Cb 0.14 0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 2h45 h HIS 6 CO 0.01 -0.59 0.00 1.28 -0.00 0.00 0.00 177.93 178.63 2h45 n LEU 7 N -5.53 2.26 -0.30 2.43 4.77 -1.26 -5.06 117.00 114.31 2h45 n LEU 7 Ca -0.14 -0.76 0.02 0.00 -0.03 0.00 0.00 56.01 55.10 2h45 n LEU 7 Cb 0.42 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2h45 n LEU 7 CO 0.36 0.38 -0.03 0.55 -1.33 0.00 0.00 177.39 177.32 2h45 n VAL 8 N 0.77 0.00 -2.29 4.08 3.14 -1.12 -4.65 118.33 118.26 2h45 n VAL 8 Ca 0.16 0.02 -0.36 0.00 -2.96 0.00 0.00 64.34 61.20 2h45 n VAL 8 Cb 0.48 -0.05 -0.01 0.00 -1.06 0.00 0.00 33.84 33.19 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h45 s ALA 9 N -1.89 2.91 -2.00 1.55 0.00 -1.26 -4.90 121.76 116.17 2h45 s ALA 9 Ca 0.00 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.03 2h45 s ALA 9 Cb 0.00 -3.36 1.17 0.00 0.00 0.00 0.00 23.12 20.93 2h45 s ALA 9 CO 0.00 -0.63 1.75 0.25 0.00 0.00 0.00 175.76 177.13 2h45 n THR 10 N -0.67 0.00 0.00 0.00 -2.24 -1.26 -4.89 114.28 105.22 2h45 n THR 10 Ca 0.08 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2h45 n THR 10 Cb 0.49 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2h45 n THR 10 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2h45 n SER 11 N -0.80 0.00 0.00 3.42 3.41 -1.26 -4.34 113.62 114.05 2h45 n SER 11 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2h45 n SER 11 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2h45 n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2h45 n GLU 12 N 0.00 2.22 0.00 4.33 4.07 -1.26 -5.13 120.64 124.88 2h45 n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2h45 n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2h45 n GLU 12 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2h45 n SER 13 N 0.00 0.00 -1.81 4.31 2.88 -1.26 -5.13 113.62 112.61 2h45 n SER 13 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2h45 n SER 13 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2h45 n SER 13 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2h45 n VAL 14 N 0.00 -4.36 -0.00 2.46 0.31 -1.26 -4.98 118.33 110.50 2h45 n VAL 14 Ca 0.00 1.89 0.00 0.00 -0.01 0.00 0.00 64.34 66.22 2h45 n VAL 14 Cb 0.00 -2.50 0.00 0.00 -0.91 0.00 0.00 33.84 30.43 2h45 n VAL 14 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2h45 n THR 15 N 0.63 0.00 -2.89 2.52 -1.04 -1.26 -4.50 114.28 107.73 2h45 n THR 15 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2h45 n THR 15 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2h45 n THR 15 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2h45 n GLU 16 N 0.00 -0.96 0.00 -2.82 -0.58 -1.26 -4.59 120.64 110.42 2h45 n GLU 16 Ca 0.00 0.03 0.04 0.00 -0.42 0.00 0.00 57.16 56.81 2h45 n GLU 16 Cb 0.00 -1.17 0.22 0.00 -0.57 0.00 0.00 31.44 29.92 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2h45 n ILE 17 N -1.96 0.77 -1.76 -3.67 5.41 -1.26 -2.61 119.36 114.28 2h45 n ILE 17 Ca -0.07 0.19 -0.36 0.00 1.00 0.00 0.00 62.75 63.52 2h45 n ILE 17 Cb 0.19 -1.05 0.06 0.00 -0.71 0.00 0.00 39.64 38.13 2h45 n ILE 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2h45 s THR 18 N -2.54 2.32 -0.35 1.39 -4.23 -1.26 -1.43 115.64 109.54 2h45 s THR 18 Ca 0.08 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2h45 s THR 18 Cb 0.06 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2h45 s THR 18 CO 0.13 -0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.15 2h45 n ALA 19 N -2.00 -0.39 -2.20 3.99 0.00 -1.26 0.26 120.51 118.91 2h45 n ALA 19 Ca 0.14 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 2h45 n ALA 19 Cb 0.49 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.23 -5.73 -3.29 0.00 3.41 -0.52 -1.68 113.62 105.58 2h45 n SER 20 Ca -0.04 0.11 -0.19 0.00 -0.26 0.00 0.00 58.87 58.49 2h45 n SER 20 Cb 0.27 -4.82 0.18 0.00 -0.26 0.00 0.00 64.21 59.59 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 -1.76 -3.30 -3.82 4.04 3.41 0.72 -4.62 113.62 108.30 2h45 n SER 21 Ca -0.23 -0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 57.71 2h45 n SER 21 Cb 0.68 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.84 -0.11 -0.32 7.33 0.08 -0.70 -4.62 117.98 117.80 2h45 s PHE 22 Ca 0.42 0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.71 2h45 s PHE 22 Cb -0.07 0.03 0.09 0.00 -0.57 0.00 0.00 43.02 42.49 2h45 s PHE 22 CO 0.35 -0.25 0.02 0.08 -0.10 0.00 0.00 175.22 175.32 2h45 s VAL 23 N -0.85 2.39 -0.12 -0.44 1.01 -1.26 0.02 120.40 121.15 2h45 s VAL 23 Ca -0.09 -2.08 -0.02 0.00 0.00 0.00 0.00 61.98 59.78 2h45 s VAL 23 Cb -0.05 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2h45 s VAL 23 CO 0.02 -0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 173.96 2h45 s VAL 24 N 1.00 3.92 0.09 2.92 1.01 -0.81 -4.87 120.40 123.66 2h45 s VAL 24 Ca 0.05 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.72 2h45 s VAL 24 Cb -0.20 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2h45 s VAL 24 CO -0.06 0.54 -0.17 -0.94 0.00 0.00 0.00 175.10 174.47 2h45 s SER 25 N -0.19 2.09 0.34 3.32 1.04 -1.26 -1.41 113.70 117.62 2h45 s SER 25 Ca 0.04 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.81 2h45 s SER 25 Cb -0.13 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 2h45 s SER 25 CO 0.02 -0.02 0.40 -1.66 0.98 0.00 0.00 173.24 172.96 2h45 s TRP 26 N -1.32 1.32 -0.13 5.02 -2.14 0.21 -4.99 118.94 116.92 2h45 s TRP 26 Ca 0.03 -1.43 0.01 0.00 2.66 0.00 0.00 56.10 57.37 2h45 s TRP 26 Cb -0.09 -0.32 -0.00 0.00 -3.10 0.00 0.00 33.47 29.95 2h45 s TRP 26 CO 0.03 -1.03 -0.18 0.08 -2.66 0.00 0.00 176.95 173.19 2h45 s VAL 27 N -3.21 2.56 0.53 -0.66 1.01 -1.26 -4.68 120.40 114.69 2h45 s VAL 27 Ca 0.34 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2h45 s VAL 27 Cb 0.01 -2.04 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 2h45 s VAL 27 CO 0.23 0.54 0.50 -1.20 0.00 0.00 0.00 175.10 175.17 2h45 n SER 28 N 3.70 -1.10 -2.92 3.32 7.64 -1.26 -4.94 113.62 118.06 2h45 n SER 28 Ca -0.19 0.77 -0.15 0.00 1.01 0.00 0.00 58.87 60.32 2h45 n SER 28 Cb 0.52 -1.15 -0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2h45 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h45 n ALA 29 N -1.48 2.85 0.00 -0.43 0.00 -1.26 -4.83 120.51 115.36 2h45 n ALA 29 Ca 0.11 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.19 2h45 n ALA 29 Cb 0.46 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.08 0.00 0.00 0.00 7.64 -1.26 -4.97 113.62 115.11 2h45 n SER 30 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2h45 n SER 30 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.00 0.00 -0.53 6.43 8.00 -1.26 -4.25 116.55 124.94 2h45 n ASP 31 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 2h45 n ASP 31 Cb 0.00 -0.18 0.42 0.00 -0.02 0.00 0.00 41.12 41.34 2h45 n ASP 31 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2h45 n THR 32 N -0.38 0.00 -1.64 -3.53 -1.04 -1.26 -4.93 114.28 101.50 2h45 n THR 32 Ca 0.00 -0.28 -0.45 0.00 -2.04 0.00 0.00 64.05 61.29 2h45 n THR 32 Cb 0.00 0.68 -0.02 0.00 -1.82 0.00 0.00 70.33 69.17 2h45 n THR 32 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2h45 n VAL 33 N 0.25 1.42 0.55 12.58 3.14 -1.26 -3.47 118.33 131.54 2h45 n VAL 33 Ca 0.17 -0.35 0.11 0.00 -2.96 0.00 0.00 64.34 61.31 2h45 n VAL 33 Cb 0.40 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 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 1.61 0.60 0.00 6.55 7.64 1.11 -4.60 113.62 126.53 2h45 n SER 34 Ca 0.10 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2h45 n SER 34 Cb 0.31 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 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 1.36 -0.57 3.32 0.23 0.00 -1.12 -3.28 105.19 105.13 2h45 n GLY 35 Ca 0.02 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 1.83 -0.09 1.61 0.08 0.35 0.49 117.98 120.27 2h45 s PHE 36 Ca 0.00 -0.44 0.01 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 41.51 2h45 s PHE 36 CO 0.00 0.28 -0.11 0.50 -0.10 0.00 0.00 175.22 175.79 2h45 s ARG 37 N -2.40 1.70 -0.15 0.44 3.52 0.61 0.09 118.95 122.77 2h45 s ARG 37 Ca 0.12 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.29 2h45 s ARG 37 Cb -0.08 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.75 2h45 s ARG 37 CO 0.06 -0.08 0.02 0.08 -0.81 0.00 0.00 175.30 174.57 2h45 s VAL 38 N 1.06 4.47 -0.05 7.11 1.01 0.19 -1.52 120.40 132.66 2h45 s VAL 38 Ca -0.07 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2h45 s VAL 38 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2h45 s VAL 38 CO -0.01 0.51 -0.14 -0.70 0.00 0.00 0.00 175.10 174.75 2h45 s GLU 39 N 0.06 1.64 -0.02 2.72 2.12 -0.95 -1.38 118.70 122.90 2h45 s GLU 39 Ca 0.03 -0.49 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 2h45 s GLU 39 Cb -0.13 -1.40 0.02 0.00 0.26 0.00 0.00 34.13 32.88 2h45 s GLU 39 CO 0.01 0.14 0.03 1.52 -0.54 0.00 0.00 175.26 176.43 2h45 s TYR 40 N 0.31 -0.00 0.10 5.30 1.13 -1.09 -1.66 117.35 121.44 2h45 s TYR 40 Ca -0.08 0.12 -0.05 0.00 -1.41 0.00 0.00 57.07 55.65 2h45 s TYR 40 Cb -0.13 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.57 2h45 s TYR 40 CO 0.03 -0.07 0.12 -1.83 -2.51 0.00 0.00 175.55 171.29 2h45 s GLU 41 N 0.69 0.85 0.18 -3.49 -1.05 -1.01 -2.59 118.70 112.27 2h45 s GLU 41 Ca -0.06 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.29 2h45 s GLU 41 Cb -0.08 0.29 -0.08 0.00 -0.44 0.00 0.00 34.13 33.82 2h45 s GLU 41 CO -0.02 -0.25 1.19 -0.51 0.95 0.00 0.00 175.26 176.62 2h45 s LEU 42 N -2.94 4.45 0.48 1.83 1.43 -1.26 0.12 118.68 122.80 2h45 s LEU 42 Ca 0.12 2.22 0.29 0.00 -1.03 0.00 0.00 54.13 55.73 2h45 s LEU 42 Cb 0.06 -3.61 1.01 0.00 0.03 0.00 0.00 46.19 43.68 2h45 s LEU 42 CO -0.06 -0.37 1.84 0.77 0.23 0.00 0.00 176.35 178.77 2h45 h SER 43 N 5.28 0.00 0.00 2.29 4.64 -0.48 -0.10 113.55 125.18 2h45 h SER 43 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2h45 h SER 43 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h45 h SER 43 CO 0.75 0.00 -0.46 -0.62 -0.87 0.00 0.00 176.83 175.62 2h45 n GLU 44 N -2.99 0.26 0.17 4.77 -0.58 -1.26 -4.56 120.64 116.44 2h45 n GLU 44 Ca 0.02 0.15 0.04 0.00 -0.42 0.00 0.00 57.16 56.94 2h45 n GLU 44 Cb 0.37 -1.00 0.44 0.00 -0.57 0.00 0.00 31.44 30.67 2h45 n GLU 44 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2h45 h GLU 45 N -0.50 0.13 -1.85 3.49 5.08 -1.92 -3.45 114.58 115.56 2h45 h GLU 45 Ca 0.00 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 2h45 h GLU 45 Cb 0.46 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2h45 h GLU 45 CO 0.00 0.29 -0.33 0.41 -1.00 0.00 0.00 179.01 178.38 2h45 n GLY 46 N -0.92 0.98 0.00 -3.84 0.00 -0.05 -4.92 105.19 96.44 2h45 n GLY 46 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.12 -0.88 -4.76 1.61 2.03 -1.26 -4.83 116.55 107.35 2h45 n ASP 47 Ca -0.17 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.73 2h45 n ASP 47 Cb 0.56 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 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 -1.32 4.40 0.53 -0.67 -1.05 -1.26 -4.74 118.70 114.58 2h45 s GLU 48 Ca 0.00 2.11 -0.19 0.00 -0.15 0.00 0.00 54.97 56.74 2h45 s GLU 48 Cb 0.00 -3.13 -0.07 0.00 -0.44 0.00 0.00 34.13 30.50 2h45 s GLU 48 CO 0.00 -0.16 1.07 -1.25 0.95 0.00 0.00 175.26 175.87 2h45 s PRO 49 N -1.18 3.57 -0.04 -4.83 0.04 -1.26 -4.87 135.00 126.42 2h45 s PRO 49 Ca 0.51 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.97 2h45 s PRO 49 Cb -0.38 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2h45 s PRO 49 CO 0.46 -0.63 -0.10 -0.65 0.04 0.00 0.00 177.00 176.12 2h45 s GLN 50 N -3.44 2.58 -0.02 4.56 -0.21 -1.07 -4.97 119.66 117.09 2h45 s GLN 50 Ca 0.68 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 55.46 2h45 s GLN 50 Cb -0.18 -2.47 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 2h45 s GLN 50 CO 0.26 0.63 -0.21 0.71 -2.12 0.00 0.00 175.29 174.55 2h45 s TYR 51 N -0.82 1.95 -0.06 0.91 2.02 -1.26 -2.65 117.35 117.44 2h45 s TYR 51 Ca 0.13 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2h45 s TYR 51 Cb -0.11 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.19 2h45 s TYR 51 CO 0.02 -0.07 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.26 2h45 s LEU 52 N -0.39 1.81 -0.16 -1.29 1.43 -0.48 -4.95 118.68 114.66 2h45 s LEU 52 Ca 0.05 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2h45 s LEU 52 Cb -0.09 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2h45 s LEU 52 CO 0.00 0.10 0.12 -1.81 0.23 0.00 0.00 176.35 174.99 2h45 s ASP 53 N 0.37 6.14 0.13 2.29 1.01 -1.26 -0.64 116.67 124.71 2h45 s ASP 53 Ca -0.11 0.30 0.06 0.00 0.71 0.00 0.00 52.55 53.51 2h45 s ASP 53 Cb -0.14 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 2h45 s ASP 53 CO 0.04 0.28 -0.15 -0.76 0.21 0.00 0.00 175.17 174.79 2h45 s LEU 54 N -0.24 2.41 0.77 1.23 1.43 0.11 -4.97 118.68 119.42 2h45 s LEU 54 Ca 0.10 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 2h45 s LEU 54 Cb -0.12 -0.60 0.06 0.00 0.03 0.00 0.00 46.19 45.56 2h45 s LEU 54 CO 0.01 -0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.40 2h45 s PRO 55 N -2.69 2.23 0.13 1.29 0.04 -1.26 0.13 135.00 134.88 2h45 s PRO 55 Ca 0.10 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.45 2h45 s PRO 55 Cb -0.05 -1.89 0.48 0.00 0.04 0.00 0.00 34.50 33.08 2h45 s PRO 55 CO 0.04 -1.67 1.27 -1.13 0.04 0.00 0.00 177.00 175.54 2h45 n SER 56 N -3.44 0.23 -0.19 6.66 3.41 -1.21 0.17 113.62 119.24 2h45 n SER 56 Ca 0.09 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 2h45 n SER 56 Cb 0.53 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.81 0.00 -2.86 6.66 -2.24 -1.26 -4.88 114.28 107.89 2h45 n THR 57 Ca -0.01 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2h45 n THR 57 Cb 0.02 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.64 3.29 0.00 6.98 0.00 0.13 -4.91 121.76 124.60 2h45 s ALA 58 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2h45 s ALA 58 Cb 0.19 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2h45 s ALA 58 CO 0.58 -0.05 0.58 0.25 0.00 0.00 0.00 175.76 177.12 2h45 n THR 59 N 3.17 0.32 -3.62 0.00 -2.24 -1.26 -4.89 114.28 105.75 2h45 n THR 59 Ca 0.01 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2h45 n THR 59 Cb 0.50 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.32 -0.56 -0.02 3.42 1.04 -1.26 -0.62 113.70 115.39 2h45 s SER 60 Ca 0.00 1.02 -0.12 0.00 0.48 0.00 0.00 55.95 57.32 2h45 s SER 60 Cb 0.00 1.01 0.02 0.00 0.10 0.00 0.00 66.02 67.15 2h45 s SER 60 CO 0.00 -0.23 0.26 0.54 0.98 0.00 0.00 173.24 174.80 2h45 s VAL 61 N 0.09 0.06 -0.22 5.02 0.11 -0.50 -5.00 120.40 119.95 2h45 s VAL 61 Ca 0.01 -0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 58.49 2h45 s VAL 61 Cb -0.04 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2h45 s VAL 61 CO -0.02 -0.27 0.11 0.21 -3.33 0.00 0.00 175.10 171.80 2h45 s ASN 62 N -1.19 5.73 -0.44 3.54 3.84 -1.26 -1.93 114.94 123.23 2h45 s ASN 62 Ca -0.13 0.03 -0.16 0.00 0.21 0.00 0.00 52.86 52.81 2h45 s ASN 62 Cb -0.06 -2.02 0.04 0.00 -0.55 0.00 0.00 41.25 38.67 2h45 s ASN 62 CO 0.03 0.08 0.38 -0.63 -2.79 0.00 0.00 177.10 174.17 2h45 s ILE 63 N 0.97 5.20 0.51 -5.21 1.01 0.10 -4.92 121.20 118.85 2h45 s ILE 63 Ca 0.05 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2h45 s ILE 63 Cb -0.14 -4.04 0.10 0.00 0.01 0.00 0.00 42.46 38.40 2h45 s ILE 63 CO 0.03 -0.45 0.70 -0.81 0.00 0.00 0.00 174.94 174.41 2h45 n PRO 64 N 5.32 0.17 -3.08 2.79 -0.04 -1.26 -1.72 135.00 137.18 2h45 n PRO 64 Ca -0.10 -1.98 -0.23 0.00 -0.04 0.00 0.00 63.50 61.15 2h45 n PRO 64 Cb 0.46 -0.44 0.04 0.00 -0.04 0.00 0.00 33.50 33.52 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 -2.88 -6.11 -4.86 3.54 8.00 -1.26 -4.94 116.55 108.03 2h45 n ASP 65 Ca 0.12 -0.31 -0.33 0.00 0.71 0.00 0.00 54.79 54.97 2h45 n ASP 65 Cb 0.42 -4.93 -0.06 0.00 -0.02 0.00 0.00 41.12 36.54 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 -6.75 4.21 -0.39 0.64 1.43 -0.67 -5.04 118.68 112.12 2h45 s LEU 66 Ca 0.33 1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 2h45 s LEU 66 Cb -0.15 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.48 2h45 s LEU 66 CO 0.41 -0.03 0.83 -0.76 0.23 0.00 0.00 176.35 177.03 2h45 s LEU 67 N -2.53 4.10 0.38 1.79 1.43 -1.26 -4.28 118.68 118.31 2h45 s LEU 67 Ca 0.45 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2h45 s LEU 67 Cb -0.12 -3.09 -0.11 0.00 0.03 0.00 0.00 46.19 42.89 2h45 s LEU 67 CO 0.20 -0.82 1.36 -2.65 0.23 0.00 0.00 176.35 174.67 2h45 n PRO 68 N 6.63 2.26 -1.17 1.29 -0.02 -1.26 -2.58 135.00 140.15 2h45 n PRO 68 Ca 0.04 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.31 2h45 n PRO 68 Cb 0.48 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.66 0.43 3.26 -1.23 0.00 -1.26 -5.04 105.19 102.01 2h45 n GLY 69 Ca 0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.35 1.13 -0.18 1.61 1.81 -1.06 -4.94 118.95 114.96 2h45 s ARG 70 Ca 0.00 -1.09 -0.08 0.00 -1.72 0.00 0.00 55.73 52.84 2h45 s ARG 70 Cb 0.00 -1.34 -0.04 0.00 -0.45 0.00 0.00 34.95 33.11 2h45 s ARG 70 CO 0.00 0.32 0.09 0.21 -0.68 0.00 0.00 175.30 175.23 2h45 s LYS 71 N -1.74 4.02 0.17 3.54 2.20 -1.26 -0.87 119.74 125.79 2h45 s LYS 71 Ca 0.06 -0.29 0.10 0.00 -0.36 0.00 0.00 55.97 55.47 2h45 s LYS 71 Cb -0.10 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2h45 s LYS 71 CO 0.04 0.31 -0.21 0.71 -0.36 0.00 0.00 175.35 175.83 2h45 s TYR 72 N 0.29 2.04 -0.19 4.03 1.51 -0.38 0.28 117.35 124.93 2h45 s TYR 72 Ca 0.05 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 2h45 s TYR 72 Cb -0.12 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 2h45 s TYR 72 CO -0.00 0.39 -0.00 0.42 -1.11 0.00 0.00 175.55 175.24 2h45 s ILE 73 N -1.76 4.01 -0.10 2.71 1.01 0.12 -1.58 121.20 125.62 2h45 s ILE 73 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2h45 s ILE 73 Cb -0.07 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2h45 s ILE 73 CO 0.08 0.44 -0.13 -0.69 0.00 0.00 0.00 174.94 174.63 2h45 s VAL 74 N 0.85 3.08 -0.06 2.92 1.01 0.12 -2.42 120.40 125.91 2h45 s VAL 74 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2h45 s VAL 74 Cb -0.14 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.00 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 -0.07 1.19 -0.19 3.32 0.01 -0.66 -0.43 114.94 118.11 2h45 s ASN 75 Ca -0.02 -0.12 -0.07 0.00 -0.71 0.00 0.00 52.86 51.93 2h45 s ASN 75 Cb -0.14 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 2h45 s ASN 75 CO 0.04 -0.10 0.07 -0.69 -1.51 0.00 0.00 177.10 174.90 2h45 s VAL 76 N 1.29 4.74 -0.03 1.60 1.01 0.15 -2.24 120.40 126.91 2h45 s VAL 76 Ca -0.05 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 61.95 2h45 s VAL 76 Cb -0.14 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2h45 s VAL 76 CO -0.02 0.44 -0.24 -0.31 0.00 0.00 0.00 175.10 174.97 2h45 s TYR 77 N 0.58 2.22 -0.15 5.22 1.51 -0.58 -1.74 117.35 124.41 2h45 s TYR 77 Ca 0.03 -0.53 -0.07 0.00 -1.01 0.00 0.00 57.07 55.49 2h45 s TYR 77 Cb -0.13 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2h45 s TYR 77 CO 0.01 -0.11 0.12 1.14 -1.11 0.00 0.00 175.55 175.60 2h45 s GLN 78 N -0.37 3.68 -0.27 -0.62 -2.07 -1.02 -0.28 119.66 118.71 2h45 s GLN 78 Ca 0.04 -0.20 -0.12 0.00 -1.82 0.00 0.00 55.36 53.25 2h45 s GLN 78 Cb -0.11 -3.22 -0.05 0.00 -1.09 0.00 0.00 33.01 28.54 2h45 s GLN 78 CO 0.01 0.58 0.24 0.42 -1.32 0.00 0.00 175.29 175.22 2h45 s ILE 79 N -0.46 5.28 0.74 3.63 1.01 0.18 -2.69 121.20 128.88 2h45 s ILE 79 Ca 0.12 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.96 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 0.02 0.24 1.08 -0.94 0.00 0.00 0.00 174.94 175.34 2h45 s SER 80 N 1.60 4.87 0.55 3.58 1.04 -0.17 0.36 113.70 125.53 2h45 s SER 80 Ca 0.10 0.73 0.36 0.00 0.48 0.00 0.00 55.95 57.61 2h45 s SER 80 Cb -0.16 -1.37 1.94 0.00 0.10 0.00 0.00 66.02 66.53 2h45 s SER 80 CO 0.10 -1.63 2.09 -0.33 0.98 0.00 0.00 173.24 174.45 2h45 h GLU 81 N -0.75 0.00 -0.02 4.02 4.39 -1.89 0.22 114.58 120.55 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 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2h45 h GLU 81 CO 0.63 0.00 -0.10 -0.40 -1.16 0.00 0.00 179.01 177.98 2h45 n ASP 82 N -2.78 1.76 0.00 1.42 5.68 -1.26 -4.92 116.55 116.45 2h45 n ASP 82 Ca -0.02 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 2h45 n ASP 82 Cb 0.09 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 1.27 0.64 3.79 6.12 0.00 0.78 -5.05 105.19 112.75 2h45 n GLY 83 Ca 0.16 -0.21 -0.38 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 4.44 -0.04 1.61 0.41 -1.26 -4.78 118.70 118.47 2h45 s GLU 84 Ca 0.00 1.04 0.02 0.00 -0.41 0.00 0.00 54.97 55.62 2h45 s GLU 84 Cb 0.00 -3.09 -0.03 0.00 -1.78 0.00 0.00 34.13 29.23 2h45 s GLU 84 CO 0.00 0.49 -0.06 -0.65 -0.49 0.00 0.00 175.26 174.56 2h45 s GLN 85 N -1.50 2.70 -0.03 1.61 -0.21 -1.26 -1.00 119.66 119.97 2h45 s GLN 85 Ca 0.39 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 55.17 2h45 s GLN 85 Cb -0.20 -2.58 0.02 0.00 1.00 0.00 0.00 33.01 31.25 2h45 s GLN 85 CO 0.24 0.64 -0.02 0.45 -2.12 0.00 0.00 175.29 174.48 2h45 s SER 86 N -1.10 0.59 -0.20 5.90 0.15 -1.10 -4.93 113.70 113.01 2h45 s SER 86 Ca 0.15 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.44 2h45 s SER 86 Cb -0.11 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 2h45 s SER 86 CO 0.04 -0.06 1.45 -0.22 1.20 0.00 0.00 173.24 175.65 2h45 s LEU 87 N 0.82 4.02 -0.03 3.45 2.96 -1.26 -2.42 118.68 126.22 2h45 s LEU 87 Ca -0.09 1.62 0.10 0.00 -0.22 0.00 0.00 54.13 55.54 2h45 s LEU 87 Cb -0.12 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 2h45 s LEU 87 CO -0.01 -1.04 0.20 2.30 -1.32 0.00 0.00 176.35 176.48 2h45 n ILE 88 N 5.96 0.11 -3.66 6.68 -5.35 -0.71 -4.98 119.36 117.41 2h45 n ILE 88 Ca 0.16 -0.27 -0.07 0.00 -0.27 0.00 0.00 62.75 62.30 2h45 n ILE 88 Cb 0.45 0.09 -0.08 0.00 -1.74 0.00 0.00 39.64 38.36 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 -3.90 -0.73 -0.12 7.28 2.96 -1.21 -4.96 118.68 117.99 2h45 s LEU 89 Ca -0.04 1.18 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2h45 s LEU 89 Cb 0.06 1.68 0.03 0.00 0.50 0.00 0.00 46.19 48.47 2h45 s LEU 89 CO 0.43 -0.22 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.65 2h45 s SER 90 N 2.46 2.28 0.05 3.68 0.15 -1.26 0.29 113.70 121.36 2h45 s SER 90 Ca -0.04 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 56.07 2h45 s SER 90 Cb -0.11 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 2h45 s SER 90 CO -0.15 -0.17 0.32 0.28 1.20 0.00 0.00 173.24 174.72 2h45 s THR 91 N 1.76 0.08 0.21 6.45 -1.32 0.43 -5.00 115.64 118.25 2h45 s THR 91 Ca 0.03 -0.67 0.09 0.00 -1.21 0.00 0.00 61.69 59.94 2h45 s THR 91 Cb -0.14 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 2h45 s THR 91 CO -0.07 -0.37 -0.09 -0.94 -2.21 0.00 0.00 174.62 170.94 2h45 s SER 92 N -2.18 4.22 0.03 8.08 1.04 -1.26 0.16 113.70 123.78 2h45 s SER 92 Ca -0.04 -0.64 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 2h45 s SER 92 Cb -0.00 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 2h45 s SER 92 CO -0.05 0.08 0.12 -1.10 0.98 0.00 0.00 173.24 173.27 2h45 s GLN 93 N -3.05 0.56 -0.34 4.02 -0.21 -0.61 -4.97 119.66 115.05 2h45 s GLN 93 Ca 0.26 -0.63 -0.03 0.00 0.02 0.00 0.00 55.36 54.98 2h45 s GLN 93 Cb -0.08 0.23 0.07 0.00 1.00 0.00 0.00 33.01 34.22 2h45 s GLN 93 CO 0.16 -0.14 0.09 0.99 -2.12 0.00 0.00 175.29 174.26 2h45 s THR 94 N -2.22 3.23 -0.70 -0.19 2.01 -1.26 -1.25 115.64 115.26 2h45 s THR 94 Ca -0.08 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.36 2h45 s THR 94 Cb -0.03 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.51 2h45 s THR 94 CO -0.03 -0.31 0.18 0.35 -0.69 0.00 0.00 174.62 174.12