#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h45 h PRO 2 N 0.00 0.41 -6.16 1.61 0.11 -2.15 -3.40 132.00 122.42 2h45 h PRO 2 Ca 0.00 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.50 2h45 h PRO 2 Cb 0.00 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 30.97 2h45 h PRO 2 CO 0.00 0.27 -0.10 -1.17 -0.21 0.00 0.00 178.00 176.79 2h45 s LEU 3 N -9.51 4.50 0.30 2.35 2.96 -1.26 -5.08 118.68 112.94 2h45 s LEU 3 Ca -0.08 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 2h45 s LEU 3 Cb 0.23 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2h45 s LEU 3 CO 0.79 0.29 0.16 -0.83 -1.32 0.00 0.00 176.35 175.43 2h45 s GLY 4 N -1.13 2.04 0.91 7.98 0.00 -1.26 -5.15 107.32 110.70 2h45 s GLY 4 Ca 0.27 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.12 2h45 s GLY 4 CO 0.17 -1.58 1.09 -1.35 0.00 0.00 0.00 173.10 171.43 2h45 s SER 5 N -3.37 3.33 -0.02 1.64 1.04 -1.26 -5.06 113.70 109.99 2h45 s SER 5 Ca 0.36 1.52 0.07 0.00 0.48 0.00 0.00 55.95 58.38 2h45 s SER 5 Cb 0.05 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 2h45 s SER 5 CO 0.17 -2.74 -0.24 -1.00 0.98 0.00 0.00 173.24 170.42 2h45 s HIS 6 N -2.90 2.16 -2.12 5.02 3.76 -1.26 -5.00 115.29 114.95 2h45 s HIS 6 Ca 0.64 -0.45 0.16 0.00 -0.15 0.00 0.00 55.06 55.25 2h45 s HIS 6 Cb -0.19 -1.40 0.65 0.00 1.11 0.00 0.00 32.58 32.76 2h45 s HIS 6 CO 0.57 -0.07 1.46 1.28 -0.85 0.00 0.00 174.74 177.14 2h45 n LEU 7 N 2.59 1.13 0.00 0.89 7.99 -1.26 -3.86 117.00 124.48 2h45 n LEU 7 Ca -0.16 -0.51 0.06 0.00 -0.01 0.00 0.00 56.01 55.40 2h45 n LEU 7 Cb 0.52 -0.10 0.38 0.00 -0.11 0.00 0.00 43.42 44.11 2h45 n LEU 7 CO 0.24 0.25 0.59 1.33 -1.51 0.00 0.00 177.39 178.29 2h45 n VAL 8 N 0.01 0.00 -3.40 4.08 0.24 -1.26 -4.81 118.33 113.19 2h45 n VAL 8 Ca 0.13 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.16 2h45 n VAL 8 Cb 0.22 -0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 31.80 2h45 n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h45 n ALA 9 N -0.96 -0.79 0.00 2.33 0.00 -1.25 -0.24 120.51 119.61 2h45 n ALA 9 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2h45 n ALA 9 Cb 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2h45 n ALA 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2h45 n THR 10 N -2.77 0.00 -0.60 0.00 -1.04 -1.26 -4.89 114.28 103.72 2h45 n THR 10 Ca 0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.79 2h45 n THR 10 Cb 0.30 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.06 2h45 n THR 10 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2h45 s SER 11 N 0.00 0.49 0.38 8.00 0.15 0.67 -4.90 113.70 118.50 2h45 s SER 11 Ca 0.00 1.21 -0.26 0.00 0.70 0.00 0.00 55.95 57.60 2h45 s SER 11 Cb 0.00 -1.84 -0.11 0.00 -1.71 0.00 0.00 66.02 62.35 2h45 s SER 11 CO 0.00 -4.46 1.11 -0.62 1.20 0.00 0.00 173.24 170.47 2h45 n GLU 12 N -5.06 1.60 -0.34 5.44 -0.58 -1.26 -4.85 120.64 115.58 2h45 n GLU 12 Ca 0.06 0.57 -0.01 0.00 -0.42 0.00 0.00 57.16 57.36 2h45 n GLU 12 Cb 0.57 -2.12 0.15 0.00 -0.57 0.00 0.00 31.44 29.47 2h45 n GLU 12 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2h45 h SER 13 N 1.91 1.08 -2.70 1.62 0.87 -1.90 -3.41 113.55 111.01 2h45 h SER 13 Ca -0.44 -0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 59.88 2h45 h SER 13 Cb 1.32 -0.27 -0.32 0.00 -0.44 0.00 0.00 62.40 62.69 2h45 h SER 13 CO 0.59 0.77 -0.52 -0.69 -0.53 0.00 0.00 176.83 176.46 2h45 s VAL 14 N -6.05 -0.45 0.00 2.23 1.01 -1.26 -5.01 120.40 110.88 2h45 s VAL 14 Ca -0.12 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2h45 s VAL 14 Cb 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 36.04 2h45 s VAL 14 CO 0.81 0.06 0.00 0.41 0.00 0.00 0.00 175.10 176.38 2h45 n THR 15 N 5.35 0.00 -1.46 3.92 -1.04 -1.26 -4.87 114.28 114.92 2h45 n THR 15 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2h45 n THR 15 Cb 0.50 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 -1.86 0.00 -2.82 0.28 -1.26 -4.72 120.64 110.26 2h45 n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2h45 n GLU 16 Cb 0.00 -2.59 0.00 0.00 1.43 0.00 0.00 31.44 30.28 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 -1.29 0.00 0.00 3.84 5.41 -1.26 -2.51 119.36 123.54 2h45 n ILE 17 Ca 0.00 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2h45 n ILE 17 Cb 0.24 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 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 -0.24 0.00 -1.61 1.39 -2.24 -1.26 0.31 114.28 110.63 2h45 n THR 18 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2h45 n THR 18 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.52 -0.21 -1.60 6.98 0.00 -1.26 -2.14 120.51 122.79 2h45 n ALA 19 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 2h45 n ALA 19 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 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 0.18 -4.74 -3.23 0.00 3.41 0.21 -2.09 113.62 107.35 2h45 n SER 20 Ca -0.11 0.41 -0.25 0.00 -0.26 0.00 0.00 58.87 58.65 2h45 n SER 20 Cb 0.43 -4.23 0.24 0.00 -0.26 0.00 0.00 64.21 60.40 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 -1.11 -3.80 -3.81 4.04 3.41 0.91 -4.50 113.62 108.76 2h45 n SER 21 Ca -0.18 -0.72 -0.12 0.00 -0.26 0.00 0.00 58.87 57.59 2h45 n SER 21 Cb 0.59 -0.85 -0.09 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.96 -0.09 -0.31 7.33 0.08 -0.65 -4.18 117.98 118.21 2h45 s PHE 22 Ca 0.55 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.73 2h45 s PHE 22 Cb -0.10 0.03 0.09 0.00 -0.57 0.00 0.00 43.02 42.47 2h45 s PHE 22 CO 0.46 -0.33 0.03 0.08 -0.10 0.00 0.00 175.22 175.36 2h45 s VAL 23 N -1.26 1.85 -0.10 -0.44 1.01 -1.26 0.04 120.40 120.24 2h45 s VAL 23 Ca -0.13 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 59.95 2h45 s VAL 23 Cb -0.06 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2h45 s VAL 23 CO 0.03 -0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 173.90 2h45 s VAL 24 N 1.15 3.68 0.12 2.92 1.01 -0.85 -4.98 120.40 123.45 2h45 s VAL 24 Ca 0.06 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2h45 s VAL 24 Cb -0.19 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2h45 s VAL 24 CO -0.11 0.56 -0.15 -0.94 0.00 0.00 0.00 175.10 174.46 2h45 s SER 25 N -0.30 2.02 0.06 3.32 1.04 -1.26 -1.46 113.70 117.11 2h45 s SER 25 Ca 0.04 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.70 2h45 s SER 25 Cb -0.13 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 2h45 s SER 25 CO 0.02 -0.12 0.06 -2.67 0.98 0.00 0.00 173.24 171.52 2h45 n TRP 26 N 0.66 -0.36 -4.76 5.02 2.14 -0.17 -4.99 117.44 114.98 2h45 n TRP 26 Ca -0.16 -0.43 -0.29 0.00 2.07 0.00 0.00 57.50 58.69 2h45 n TRP 26 Cb 0.56 0.07 -0.17 0.00 -0.81 0.00 0.00 31.31 30.97 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 -2.36 1.59 -0.12 -1.67 1.01 -1.26 -4.77 120.40 112.83 2h45 s VAL 27 Ca 0.06 -0.73 -0.39 0.00 0.00 0.00 0.00 61.98 60.92 2h45 s VAL 27 Cb 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 36.38 34.80 2h45 s VAL 27 CO 0.04 0.46 1.56 -1.20 0.00 0.00 0.00 175.10 175.96 2h45 n SER 28 N 3.84 2.02 -1.16 3.32 7.64 -1.26 -4.84 113.62 123.17 2h45 n SER 28 Ca -0.20 1.10 -0.03 0.00 1.01 0.00 0.00 58.87 60.74 2h45 n SER 28 Cb 0.52 -1.16 0.20 0.00 -1.01 0.00 0.00 64.21 62.77 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 4.07 4.20 0.00 -0.43 0.00 -1.26 -4.63 120.51 122.47 2h45 n ALA 29 Ca 0.23 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.62 2h45 n ALA 29 Cb 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.07 0.00 0.00 0.00 7.64 -1.26 -5.00 113.62 113.93 2h45 n SER 30 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2h45 n SER 30 Cb 1.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 -1.18 0.00 -0.68 6.43 2.03 -1.26 -4.35 116.55 117.55 2h45 n ASP 31 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2h45 n ASP 31 Cb 0.00 -0.03 0.36 0.00 -0.72 0.00 0.00 41.12 40.73 2h45 n ASP 31 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2h45 n THR 32 N -0.14 0.07 -1.65 5.18 -1.04 -1.26 -4.94 114.28 110.49 2h45 n THR 32 Ca 0.00 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 2h45 n THR 32 Cb 0.00 0.79 0.01 0.00 -1.82 0.00 0.00 70.33 69.31 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 0.62 2.53 0.19 12.58 3.14 -1.26 -3.73 118.33 132.39 2h45 n VAL 33 Ca 0.17 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 61.16 2h45 n VAL 33 Cb 0.44 -1.35 -0.06 0.00 -1.06 0.00 0.00 33.84 31.81 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 0.34 0.47 0.00 6.55 7.64 0.67 -4.61 113.62 124.69 2h45 n SER 34 Ca 0.08 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2h45 n SER 34 Cb 0.39 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 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 1.26 -1.01 3.30 0.23 0.00 -1.14 -2.92 105.19 104.91 2h45 n GLY 35 Ca -0.01 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.08 1.61 0.08 0.35 0.11 117.98 119.88 2h45 s PHE 36 Ca 0.00 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2h45 s PHE 36 Cb 0.00 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2h45 s PHE 36 CO 0.00 0.24 -0.08 0.50 -0.10 0.00 0.00 175.22 175.79 2h45 s ARG 37 N -2.12 1.35 -0.14 0.44 3.52 0.15 0.39 118.95 122.54 2h45 s ARG 37 Ca 0.09 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.42 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 -0.15 -0.04 0.08 -0.81 0.00 0.00 175.30 174.43 2h45 s VAL 38 N 1.28 3.89 -0.10 7.11 1.01 0.68 -0.25 120.40 134.02 2h45 s VAL 38 Ca -0.04 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2h45 s VAL 38 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2h45 s VAL 38 CO -0.03 0.51 -0.22 -0.70 0.00 0.00 0.00 175.10 174.66 2h45 s GLU 39 N 0.21 2.87 -0.00 2.72 2.12 -0.55 -0.40 118.70 125.66 2h45 s GLU 39 Ca -0.02 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.51 2h45 s GLU 39 Cb -0.14 -2.22 -0.00 0.00 0.26 0.00 0.00 34.13 32.03 2h45 s GLU 39 CO 0.03 0.12 -0.04 1.52 -0.54 0.00 0.00 175.26 176.34 2h45 s TYR 40 N 0.49 0.36 0.16 5.30 -0.85 -1.01 -1.65 117.35 120.15 2h45 s TYR 40 Ca -0.16 -0.08 -0.11 0.00 -0.52 0.00 0.00 57.07 56.21 2h45 s TYR 40 Cb -0.17 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 41.94 2h45 s TYR 40 CO 0.06 -0.01 0.32 -1.83 -1.52 0.00 0.00 175.55 172.57 2h45 s GLU 41 N -0.13 1.14 0.03 -3.49 -1.05 -1.11 -2.22 118.70 111.87 2h45 s GLU 41 Ca 0.01 -1.06 -0.30 0.00 -0.15 0.00 0.00 54.97 53.46 2h45 s GLU 41 Cb -0.02 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2h45 s GLU 41 CO -0.00 -0.43 1.22 -0.51 0.95 0.00 0.00 175.26 176.50 2h45 s LEU 42 N -2.93 4.35 0.51 1.83 1.43 -1.26 -0.96 118.68 121.64 2h45 s LEU 42 Ca 0.13 1.99 0.29 0.00 -1.03 0.00 0.00 54.13 55.52 2h45 s LEU 42 Cb 0.03 -3.57 1.16 0.00 0.03 0.00 0.00 46.19 43.83 2h45 s LEU 42 CO -0.03 -0.52 1.91 0.77 0.23 0.00 0.00 176.35 178.71 2h45 h SER 43 N 7.03 0.00 0.00 2.29 4.64 -0.89 0.45 113.55 127.06 2h45 h SER 43 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2h45 h SER 43 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2h45 h SER 43 CO 0.84 0.09 -0.51 -0.62 -0.87 0.00 0.00 176.83 175.75 2h45 n GLU 44 N -3.21 0.31 -0.02 4.77 1.02 -1.26 -4.55 120.64 117.70 2h45 n GLU 44 Ca 0.01 0.24 -0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2h45 n GLU 44 Cb 0.36 -1.17 0.29 0.00 -0.02 0.00 0.00 31.44 30.90 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 -0.62 0.58 -1.18 3.49 4.39 -1.91 -3.46 114.58 115.87 2h45 h GLU 45 Ca 0.00 -0.11 -0.33 0.00 0.34 0.00 0.00 59.36 59.26 2h45 h GLU 45 Cb 0.51 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.97 2h45 h GLU 45 CO 0.00 0.57 -0.33 0.41 -1.16 0.00 0.00 179.01 178.50 2h45 n GLY 46 N -0.92 1.10 0.11 -3.84 0.00 0.15 -4.97 105.19 96.82 2h45 n GLY 46 Ca 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.72 -0.85 -4.76 1.61 2.03 -1.26 -4.84 116.55 107.77 2h45 n ASP 47 Ca -0.17 -0.01 -0.40 0.00 0.52 0.00 0.00 54.79 54.72 2h45 n ASP 47 Cb 0.56 -0.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.23 4.57 0.51 -0.67 -1.05 -1.26 -4.72 118.70 114.85 2h45 s GLU 48 Ca 0.01 1.87 -0.20 0.00 -0.15 0.00 0.00 54.97 56.51 2h45 s GLU 48 Cb -0.00 -3.18 -0.07 0.00 -0.44 0.00 0.00 34.13 30.43 2h45 s GLU 48 CO 0.01 0.10 1.06 -1.25 0.95 0.00 0.00 175.26 176.13 2h45 s PRO 49 N -1.27 3.64 0.12 -4.83 0.04 -1.26 -4.86 135.00 126.58 2h45 s PRO 49 Ca 0.47 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2h45 s PRO 49 Cb -0.33 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2h45 s PRO 49 CO 0.42 -0.58 -0.14 -0.65 0.04 0.00 0.00 177.00 176.09 2h45 s GLN 50 N -3.35 1.94 -0.04 4.56 1.11 -0.94 -4.96 119.66 117.98 2h45 s GLN 50 Ca 0.68 -1.14 0.05 0.00 0.01 0.00 0.00 55.36 54.96 2h45 s GLN 50 Cb -0.18 -2.19 -0.01 0.00 -1.01 0.00 0.00 33.01 29.63 2h45 s GLN 50 CO 0.24 0.48 -0.20 0.71 0.01 0.00 0.00 175.29 176.53 2h45 s TYR 51 N -1.25 1.91 -0.11 0.91 2.02 -1.26 -2.41 117.35 117.16 2h45 s TYR 51 Ca 0.20 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 2h45 s TYR 51 Cb -0.10 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 2h45 s TYR 51 CO 0.12 -0.13 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.26 2h45 s LEU 52 N -0.17 1.94 -0.18 -1.29 1.43 0.46 -4.94 118.68 115.94 2h45 s LEU 52 Ca 0.00 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 2h45 s LEU 52 Cb -0.11 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2h45 s LEU 52 CO 0.02 0.08 0.08 -1.81 0.23 0.00 0.00 176.35 174.95 2h45 s ASP 53 N 0.70 5.84 0.14 2.29 1.01 -1.26 -0.23 116.67 125.15 2h45 s ASP 53 Ca -0.12 0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.37 2h45 s ASP 53 Cb -0.16 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2h45 s ASP 53 CO 0.02 0.21 -0.14 -0.76 0.21 0.00 0.00 175.17 174.71 2h45 s LEU 54 N 0.17 2.43 0.79 1.23 1.43 0.16 -4.96 118.68 119.93 2h45 s LEU 54 Ca 0.06 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2h45 s LEU 54 Cb -0.12 -0.59 0.07 0.00 0.03 0.00 0.00 46.19 45.59 2h45 s LEU 54 CO -0.00 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.37 2h45 s PRO 55 N -2.84 2.09 0.47 1.29 0.04 -1.26 0.13 135.00 134.92 2h45 s PRO 55 Ca 0.11 1.16 0.32 0.00 0.04 0.00 0.00 61.00 62.63 2h45 s PRO 55 Cb -0.04 -1.88 1.71 0.00 0.04 0.00 0.00 34.50 34.33 2h45 s PRO 55 CO 0.04 -1.76 1.97 0.66 0.04 0.00 0.00 177.00 177.95 2h45 h SER 56 N -1.21 0.00 0.52 6.66 4.64 -1.78 0.39 113.55 122.76 2h45 h SER 56 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2h45 h SER 56 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2h45 h SER 56 CO 0.51 0.00 -0.43 0.35 -0.87 0.00 0.00 176.83 176.39 2h45 n THR 57 N -2.61 0.00 -2.88 2.95 -2.24 -1.26 -4.84 114.28 103.40 2h45 n THR 57 Ca -0.02 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 2h45 n THR 57 Cb 0.05 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.95 3.25 -0.03 6.98 0.00 0.14 -4.92 121.76 124.23 2h45 s ALA 58 Ca 0.13 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.46 2h45 s ALA 58 Cb 0.18 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 20.21 2h45 s ALA 58 CO 0.67 -0.15 0.91 0.25 0.00 0.00 0.00 175.76 177.43 2h45 n THR 59 N 3.78 0.83 -3.57 0.00 -2.24 -1.26 -4.84 114.28 106.98 2h45 n THR 59 Ca 0.02 -0.90 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 2h45 n THR 59 Cb 0.51 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.13 -0.51 -0.04 3.42 1.04 -1.26 -0.99 113.70 114.23 2h45 s SER 60 Ca 0.06 0.64 -0.15 0.00 0.48 0.00 0.00 55.95 56.99 2h45 s SER 60 Cb 0.06 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2h45 s SER 60 CO 0.01 -0.40 0.33 0.54 0.98 0.00 0.00 173.24 174.69 2h45 s VAL 61 N -0.87 0.05 -0.20 5.02 0.11 -0.54 -5.00 120.40 118.97 2h45 s VAL 61 Ca -0.04 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 2h45 s VAL 61 Cb -0.01 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2h45 s VAL 61 CO 0.04 -0.21 0.06 0.21 -3.33 0.00 0.00 175.10 171.87 2h45 s ASN 62 N -1.04 5.48 -0.47 3.54 3.04 -1.26 -2.00 114.94 122.22 2h45 s ASN 62 Ca -0.11 -0.00 -0.14 0.00 0.04 0.00 0.00 52.86 52.65 2h45 s ASN 62 Cb -0.05 -1.95 0.09 0.00 -1.54 0.00 0.00 41.25 37.80 2h45 s ASN 62 CO 0.04 0.12 0.38 -0.63 -3.04 0.00 0.00 177.10 173.97 2h45 s ILE 63 N 0.71 4.94 0.77 -5.21 1.01 0.11 -4.91 121.20 118.62 2h45 s ILE 63 Ca 0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 60.65 59.38 2h45 s ILE 63 Cb -0.13 -4.03 0.16 0.00 0.01 0.00 0.00 42.46 38.47 2h45 s ILE 63 CO 0.02 -0.64 1.06 -0.81 0.00 0.00 0.00 174.94 174.57 2h45 n PRO 64 N 5.13 -0.30 -3.38 2.79 -0.04 -1.26 -1.63 135.00 136.31 2h45 n PRO 64 Ca -0.12 -2.64 -0.23 0.00 -0.04 0.00 0.00 63.50 60.46 2h45 n PRO 64 Cb 0.43 -0.78 0.06 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.05 -6.32 -4.89 3.54 8.00 -1.26 -4.93 116.55 107.64 2h45 n ASP 65 Ca 0.17 -0.44 -0.29 0.00 0.71 0.00 0.00 54.79 54.94 2h45 n ASP 65 Cb 0.59 -5.02 -0.02 0.00 -0.02 0.00 0.00 41.12 36.65 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 -7.08 3.78 -0.46 0.64 1.43 -0.89 -5.04 118.68 111.06 2h45 s LEU 66 Ca 0.48 0.98 -0.19 0.00 -1.03 0.00 0.00 54.13 54.37 2h45 s LEU 66 Cb -0.21 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.16 2h45 s LEU 66 CO 0.59 -0.44 0.58 -0.76 0.23 0.00 0.00 176.35 176.55 2h45 s LEU 67 N -4.17 4.77 0.32 1.79 1.43 -1.26 -4.51 118.68 117.04 2h45 s LEU 67 Ca 0.48 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2h45 s LEU 67 Cb -0.10 -2.53 -0.13 0.00 0.03 0.00 0.00 46.19 43.46 2h45 s LEU 67 CO 0.37 -0.77 1.29 -2.65 0.23 0.00 0.00 176.35 174.82 2h45 n PRO 68 N 6.05 2.05 -0.89 1.29 -0.02 -1.26 -2.11 135.00 140.11 2h45 n PRO 68 Ca -0.05 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2h45 n PRO 68 Cb 0.47 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.08 0.50 3.25 -1.23 0.00 -1.26 -5.04 105.19 102.49 2h45 n GLY 69 Ca 0.06 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.90 1.09 -0.17 1.61 1.81 -0.90 -4.99 118.95 116.51 2h45 s ARG 70 Ca 0.00 -1.06 -0.08 0.00 -1.72 0.00 0.00 55.73 52.86 2h45 s ARG 70 Cb 0.00 -1.27 -0.04 0.00 -0.45 0.00 0.00 34.95 33.18 2h45 s ARG 70 CO 0.00 0.30 0.12 0.21 -0.68 0.00 0.00 175.30 175.25 2h45 s LYS 71 N -1.72 3.87 0.16 3.54 2.20 -1.26 -2.66 119.74 123.86 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 -0.10 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2h45 s LYS 71 CO 0.03 0.48 -0.22 0.71 -0.36 0.00 0.00 175.35 175.99 2h45 s TYR 72 N -0.16 2.05 -0.15 4.03 1.51 -0.51 -0.19 117.35 123.93 2h45 s TYR 72 Ca 0.10 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 2h45 s TYR 72 Cb -0.11 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 2h45 s TYR 72 CO 0.00 0.37 -0.07 0.42 -1.11 0.00 0.00 175.55 175.16 2h45 s ILE 73 N -1.58 3.55 -0.12 2.71 1.01 -0.14 -1.20 121.20 125.43 2h45 s ILE 73 Ca 0.15 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2h45 s ILE 73 Cb -0.08 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2h45 s ILE 73 CO 0.07 0.49 -0.16 -0.69 0.00 0.00 0.00 174.94 174.66 2h45 s VAL 74 N 0.48 2.82 -0.09 2.92 1.01 0.13 -2.75 120.40 124.93 2h45 s VAL 74 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2h45 s VAL 74 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2h45 s VAL 74 CO 0.03 0.53 -0.07 0.20 0.00 0.00 0.00 175.10 175.80 2h45 s ASN 75 N 0.34 1.86 -0.22 3.32 0.01 -0.66 -0.36 114.94 119.24 2h45 s ASN 75 Ca -0.13 -0.24 -0.08 0.00 -0.71 0.00 0.00 52.86 51.70 2h45 s ASN 75 Cb -0.16 -0.72 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 2h45 s ASN 75 CO 0.06 -0.10 0.10 -0.69 -1.51 0.00 0.00 177.10 174.96 2h45 s VAL 76 N 1.50 4.88 -0.03 1.60 1.01 0.19 -1.49 120.40 128.07 2h45 s VAL 76 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.05 2h45 s VAL 76 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2h45 s VAL 76 CO -0.05 0.39 -0.19 -0.31 0.00 0.00 0.00 175.10 174.95 2h45 s TYR 77 N 0.89 2.56 -0.16 5.22 2.02 0.66 -1.46 117.35 127.07 2h45 s TYR 77 Ca 0.05 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.41 2h45 s TYR 77 Cb -0.13 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2h45 s TYR 77 CO 0.03 0.12 0.10 1.14 -1.57 0.00 0.00 175.55 175.36 2h45 s GLN 78 N -0.77 3.81 -0.25 -0.62 -2.07 -0.52 0.30 119.66 119.54 2h45 s GLN 78 Ca 0.11 -0.25 -0.13 0.00 -1.82 0.00 0.00 55.36 53.27 2h45 s GLN 78 Cb -0.10 -3.24 -0.04 0.00 -1.09 0.00 0.00 33.01 28.54 2h45 s GLN 78 CO 0.00 0.46 0.28 0.42 -1.32 0.00 0.00 175.29 175.13 2h45 s ILE 79 N -0.13 5.26 0.73 3.63 1.01 0.12 -2.10 121.20 129.72 2h45 s ILE 79 Ca 0.09 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 2h45 s ILE 79 Cb -0.12 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.79 2h45 s ILE 79 CO 0.01 0.25 1.08 -0.94 0.00 0.00 0.00 174.94 175.34 2h45 s SER 80 N 1.41 4.95 0.64 3.58 1.04 -0.01 0.24 113.70 125.55 2h45 s SER 80 Ca 0.12 0.77 0.39 0.00 0.48 0.00 0.00 55.95 57.72 2h45 s SER 80 Cb -0.15 -1.44 2.14 0.00 0.10 0.00 0.00 66.02 66.67 2h45 s SER 80 CO 0.08 -1.58 2.20 -0.33 0.98 0.00 0.00 173.24 174.59 2h45 h GLU 81 N -0.73 0.00 -0.02 4.02 5.08 -1.90 0.20 114.58 121.24 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 0.63 0.00 -0.03 -0.40 -1.00 0.00 0.00 179.01 178.21 2h45 n ASP 82 N -2.96 2.02 0.00 1.42 5.68 -1.26 -4.92 116.55 116.52 2h45 n ASP 82 Ca -0.03 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 2h45 n ASP 82 Cb 0.15 0.02 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 1.25 0.69 3.77 6.12 0.00 0.71 -5.05 105.19 112.68 2h45 n GLY 83 Ca 0.17 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.57 4.58 -0.05 1.61 0.41 -1.26 -4.77 118.70 118.65 2h45 s GLU 84 Ca 0.00 1.17 -0.03 0.00 -0.41 0.00 0.00 54.97 55.71 2h45 s GLU 84 Cb 0.00 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 2h45 s GLU 84 CO 0.00 0.51 0.09 -0.65 -0.49 0.00 0.00 175.26 174.72 2h45 s GLN 85 N -0.93 3.18 -0.04 1.61 -0.21 -1.26 -0.83 119.66 121.17 2h45 s GLN 85 Ca 0.37 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.39 2h45 s GLN 85 Cb -0.23 -2.95 0.03 0.00 1.00 0.00 0.00 33.01 30.86 2h45 s GLN 85 CO 0.26 0.70 -0.01 0.45 -2.12 0.00 0.00 175.29 174.57 2h45 s SER 86 N -1.37 0.85 -0.18 5.90 0.15 -0.89 -4.91 113.70 113.25 2h45 s SER 86 Ca 0.19 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 2h45 s SER 86 Cb -0.12 -0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2h45 s SER 86 CO 0.09 -0.11 1.41 -0.22 1.20 0.00 0.00 173.24 175.61 2h45 s LEU 87 N 1.22 4.10 -0.01 3.45 2.96 -1.26 -1.44 118.68 127.69 2h45 s LEU 87 Ca -0.07 1.69 0.08 0.00 -0.22 0.00 0.00 54.13 55.62 2h45 s LEU 87 Cb -0.13 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.89 2h45 s LEU 87 CO -0.02 -0.95 0.18 2.30 -1.32 0.00 0.00 176.35 176.54 2h45 n ILE 88 N 5.75 0.02 -3.66 6.68 -5.35 -0.53 -5.00 119.36 117.27 2h45 n ILE 88 Ca 0.16 -0.20 -0.07 0.00 -0.27 0.00 0.00 62.75 62.37 2h45 n ILE 88 Cb 0.45 0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 38.54 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 -3.62 -0.64 -0.16 7.28 2.96 -1.19 -4.92 118.68 118.39 2h45 s LEU 89 Ca -0.03 1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2h45 s LEU 89 Cb 0.05 1.73 0.05 0.00 0.50 0.00 0.00 46.19 48.53 2h45 s LEU 89 CO 0.35 -0.22 0.03 -0.55 -1.32 0.00 0.00 176.35 174.64 2h45 s SER 90 N 2.13 2.56 0.03 3.68 0.15 -1.26 0.57 113.70 121.56 2h45 s SER 90 Ca -0.06 -0.64 -0.09 0.00 0.70 0.00 0.00 55.95 55.86 2h45 s SER 90 Cb -0.10 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2h45 s SER 90 CO -0.15 -0.28 0.17 0.28 1.20 0.00 0.00 173.24 174.45 2h45 s THR 91 N 1.91 0.10 0.16 6.45 -1.32 0.52 -4.99 115.64 118.46 2h45 s THR 91 Ca 0.01 -0.84 0.08 0.00 -1.21 0.00 0.00 61.69 59.72 2h45 s THR 91 Cb -0.16 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2h45 s THR 91 CO -0.07 -0.46 -0.08 -0.94 -2.21 0.00 0.00 174.62 170.85 2h45 s SER 92 N -1.85 4.37 0.05 8.08 1.04 -1.26 0.21 113.70 124.34 2h45 s SER 92 Ca -0.08 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 2h45 s SER 92 Cb -0.03 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 2h45 s SER 92 CO -0.02 0.12 -0.01 -1.10 0.98 0.00 0.00 173.24 173.21 2h45 s GLN 93 N -2.66 0.60 -0.29 4.02 -0.21 -0.34 -4.97 119.66 115.81 2h45 s GLN 93 Ca 0.24 -1.13 0.03 0.00 0.02 0.00 0.00 55.36 54.52 2h45 s GLN 93 Cb -0.10 0.21 0.08 0.00 1.00 0.00 0.00 33.01 34.20 2h45 s GLN 93 CO 0.15 -0.12 -0.05 0.99 -2.12 0.00 0.00 175.29 174.15 2h45 s THR 94 N -3.65 2.18 -0.78 -0.19 2.01 -1.26 -1.43 115.64 112.52 2h45 s THR 94 Ca 0.04 -1.89 0.00 0.00 0.31 0.00 0.00 61.69 60.15 2h45 s THR 94 Cb 0.06 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2h45 s THR 94 CO -0.09 -0.25 0.20 0.35 -0.69 0.00 0.00 174.62 174.13