#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 1.19 -0.21 1.61 -0.02 -1.26 -4.89 135.00 131.42 2h45 n PRO 2 Ca 0.00 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 2h45 n PRO 2 Cb 0.00 -2.39 0.33 0.00 -0.02 0.00 0.00 33.50 31.42 2h45 n PRO 2 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 2h45 h LEU 3 N 0.79 0.72 0.00 2.45 -0.00 -2.09 -3.46 115.31 113.72 2h45 h LEU 3 Ca -0.50 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2h45 h LEU 3 Cb 1.34 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2h45 h LEU 3 CO 0.53 0.46 0.00 0.61 -0.00 0.00 0.00 178.44 180.04 2h45 n GLY 4 N -1.44 0.75 3.43 0.17 0.00 -1.26 -5.04 105.19 101.81 2h45 n GLY 4 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2h45 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h45 s SER 5 N -2.48 4.93 0.00 1.61 0.15 -1.26 -4.91 113.70 111.73 2h45 s SER 5 Ca 0.00 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.44 2h45 s SER 5 Cb 0.00 -1.87 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 2h45 s SER 5 CO 0.00 0.01 0.62 1.41 1.20 0.00 0.00 173.24 176.48 2h45 n HIS 6 N 4.62 0.01 -0.98 3.44 -0.00 -1.26 -5.04 115.22 116.01 2h45 n HIS 6 Ca -0.17 -0.08 -0.29 0.00 -0.00 0.00 0.00 57.72 57.18 2h45 n HIS 6 Cb 0.51 -0.01 0.23 0.00 -0.00 0.00 0.00 29.99 30.73 2h45 n HIS 6 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2h45 s LEU 7 N -0.25 0.77 0.47 2.41 1.43 -1.26 -4.93 118.68 117.30 2h45 s LEU 7 Ca 0.02 0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 53.79 2h45 s LEU 7 Cb 0.01 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 2h45 s LEU 7 CO 0.02 -3.98 1.05 0.52 0.23 0.00 0.00 176.35 174.19 2h45 n VAL 8 N -4.70 2.77 -0.69 -1.59 0.31 -1.26 -4.83 118.33 108.33 2h45 n VAL 8 Ca 0.09 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.69 2h45 n VAL 8 Cb 0.58 -1.24 0.02 0.00 -0.91 0.00 0.00 33.84 32.29 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 -0.73 -3.61 -1.87 3.52 0.00 -1.26 -4.73 120.51 111.82 2h45 n ALA 9 Ca 0.10 -0.27 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2h45 n ALA 9 Cb 0.41 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 2h45 n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2h45 s THR 10 N -1.25 2.72 0.28 0.00 2.01 -1.26 -4.99 115.64 113.15 2h45 s THR 10 Ca 0.29 0.63 -0.20 0.00 0.31 0.00 0.00 61.69 62.73 2h45 s THR 10 Cb -0.19 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 68.97 2h45 s THR 10 CO 0.48 0.11 0.87 -0.94 -0.69 0.00 0.00 174.62 174.45 2h45 s SER 11 N 0.16 -0.07 0.00 3.53 1.04 -1.26 -5.00 113.70 112.10 2h45 s SER 11 Ca 0.56 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 56.27 2h45 s SER 11 Cb -0.41 0.68 0.50 0.00 0.10 0.00 0.00 66.02 66.90 2h45 s SER 11 CO 0.45 -1.33 1.33 1.21 0.98 0.00 0.00 173.24 175.89 2h45 n GLU 12 N -0.56 1.05 0.00 4.02 2.13 -1.26 -4.88 120.64 121.14 2h45 n GLU 12 Ca -0.06 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.69 2h45 n GLU 12 Cb 0.60 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.16 2h45 n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2h45 n SER 13 N -0.57 0.00 -4.86 4.31 7.64 -1.26 -4.50 113.62 114.39 2h45 n SER 13 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.58 2h45 n SER 13 Cb 0.05 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 2h45 n SER 13 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2h45 s VAL 14 N 0.00 5.35 0.00 0.44 -7.23 -1.26 -4.85 120.40 112.84 2h45 s VAL 14 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2h45 s VAL 14 Cb 0.00 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2h45 s VAL 14 CO 0.00 0.59 0.00 0.41 -0.31 0.00 0.00 175.10 175.79 2h45 n THR 15 N 1.89 0.00 -0.81 5.32 -1.04 -1.26 -4.94 114.28 113.44 2h45 n THR 15 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2h45 n THR 15 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.26 0.26 -2.82 -0.58 -1.26 -4.56 120.64 111.41 2h45 n GLU 16 Ca 0.00 -0.08 0.08 0.00 -0.42 0.00 0.00 57.16 56.75 2h45 n GLU 16 Cb 0.00 0.14 0.64 0.00 -0.57 0.00 0.00 31.44 31.65 2h45 n GLU 16 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2h45 h ILE 17 N 0.56 0.95 -1.49 -3.67 2.04 -1.92 -2.93 117.51 111.05 2h45 h ILE 17 Ca 0.00 -0.18 -0.64 0.00 1.00 0.00 0.00 64.86 65.04 2h45 h ILE 17 Cb 0.00 1.10 0.14 0.00 -0.74 0.00 0.00 36.82 37.32 2h45 h ILE 17 CO 0.00 0.05 -0.75 1.07 0.00 0.00 0.00 178.15 178.52 2h45 n THR 18 N -4.36 1.22 -1.23 -0.27 5.66 -1.26 0.27 114.28 114.31 2h45 n THR 18 Ca -0.03 -0.50 -0.11 0.00 -3.05 0.00 0.00 64.05 60.37 2h45 n THR 18 Cb 0.13 -0.05 -0.05 0.00 -1.55 0.00 0.00 70.33 68.82 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2h45 n ALA 19 N -0.62 -0.16 -2.24 1.79 0.00 -1.26 0.20 120.51 118.21 2h45 n ALA 19 Ca 0.14 0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 2h45 n ALA 19 Cb 0.34 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.34 -5.72 -4.12 0.00 3.41 0.75 -2.28 113.62 105.32 2h45 n SER 20 Ca -0.11 0.10 -0.29 0.00 -0.26 0.00 0.00 58.87 58.31 2h45 n SER 20 Cb 0.42 -4.82 0.27 0.00 -0.26 0.00 0.00 64.21 59.82 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 -2.18 0.06 0.05 4.04 1.04 0.13 -4.66 113.70 112.18 2h45 s SER 21 Ca 0.00 1.29 0.02 0.00 0.48 0.00 0.00 55.95 57.74 2h45 s SER 21 Cb 0.00 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2h45 s SER 21 CO 0.00 -4.74 -0.08 -0.36 0.98 0.00 0.00 173.24 169.04 2h45 s PHE 22 N -2.35 0.75 -0.28 5.02 0.08 -1.00 -4.50 117.98 115.70 2h45 s PHE 22 Ca 0.69 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.19 2h45 s PHE 22 Cb -0.22 -0.44 0.08 0.00 -0.57 0.00 0.00 43.02 41.87 2h45 s PHE 22 CO 0.63 -0.09 -0.03 0.08 -0.10 0.00 0.00 175.22 175.72 2h45 s VAL 23 N -1.80 1.96 -0.08 -0.44 1.01 -1.26 -0.29 120.40 119.50 2h45 s VAL 23 Ca -0.05 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.20 2h45 s VAL 23 Cb -0.07 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2h45 s VAL 23 CO -0.00 -0.28 -0.14 -0.69 0.00 0.00 0.00 175.10 173.99 2h45 s VAL 24 N 1.14 3.06 0.13 2.92 1.01 -0.80 -4.66 120.40 123.20 2h45 s VAL 24 Ca -0.00 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2h45 s VAL 24 Cb -0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2h45 s VAL 24 CO -0.08 0.57 -0.20 -0.94 0.00 0.00 0.00 175.10 174.45 2h45 s SER 25 N -0.34 2.67 0.00 3.32 1.04 -1.26 -1.40 113.70 117.73 2h45 s SER 25 Ca 0.03 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2h45 s SER 25 Cb -0.13 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2h45 s SER 25 CO 0.02 0.03 0.00 -2.67 0.98 0.00 0.00 173.24 171.60 2h45 n TRP 26 N 0.73 -0.15 -5.13 5.02 2.14 -0.56 -4.99 117.44 114.50 2h45 n TRP 26 Ca -0.17 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.08 2h45 n TRP 26 Cb 0.55 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.89 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 -1.96 2.30 0.51 -1.67 1.01 -1.26 -4.82 120.40 114.51 2h45 s VAL 27 Ca 0.00 -0.94 0.26 0.00 0.00 0.00 0.00 61.98 61.30 2h45 s VAL 27 Cb 0.00 -1.89 0.43 0.00 0.00 0.00 0.00 36.38 34.92 2h45 s VAL 27 CO 0.00 0.56 1.91 0.28 0.00 0.00 0.00 175.10 177.85 2h45 h SER 28 N 6.51 0.11 0.00 3.32 0.02 -1.93 -3.43 113.55 118.14 2h45 h SER 28 Ca -0.24 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2h45 h SER 28 Cb 1.22 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2h45 h SER 28 CO 0.49 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 2h45 n ALA 29 N -2.64 0.00 -3.65 3.77 0.00 -1.26 -4.74 120.51 111.98 2h45 n ALA 29 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 2h45 n ALA 29 Cb 0.79 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.52 -0.89 0.00 0.00 0.01 -1.26 -5.00 113.70 105.04 2h45 s SER 30 Ca 0.00 1.41 0.19 0.00 1.31 0.00 0.00 55.95 58.87 2h45 s SER 30 Cb 0.00 1.49 0.81 0.00 0.21 0.00 0.00 66.02 68.52 2h45 s SER 30 CO 0.00 -0.23 1.56 -0.67 0.41 0.00 0.00 173.24 174.32 2h45 n ASP 31 N 4.60 1.21 -0.80 2.44 2.03 -1.26 -3.25 116.55 121.52 2h45 n ASP 31 Ca -0.18 -1.65 0.12 0.00 0.52 0.00 0.00 54.79 53.60 2h45 n ASP 31 Cb 0.56 -0.08 0.29 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.03 0.14 -2.51 5.18 -1.04 -1.26 -4.92 114.28 109.90 2h45 n THR 32 Ca 0.15 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 2h45 n THR 32 Cb 0.25 0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 69.65 2h45 n THR 32 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2h45 s VAL 33 N -1.86 3.81 -0.69 12.58 0.11 -1.20 -2.54 120.40 130.60 2h45 s VAL 33 Ca 0.34 1.59 0.23 0.00 -2.93 0.00 0.00 61.98 61.21 2h45 s VAL 33 Cb 0.20 -4.02 -0.15 0.00 -1.53 0.00 0.00 36.38 30.89 2h45 s VAL 33 CO 0.31 0.29 0.99 -1.20 -3.33 0.00 0.00 175.10 172.15 2h45 n SER 34 N 2.22 0.64 0.00 3.54 7.64 1.08 -4.59 113.62 124.16 2h45 n SER 34 Ca 0.02 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2h45 n SER 34 Cb 0.46 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.56 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 1.40 -1.00 3.26 0.23 0.00 -1.19 -3.21 105.19 104.69 2h45 n GLY 35 Ca 0.02 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 1.61 -0.10 1.61 0.08 0.33 0.37 117.98 119.88 2h45 s PHE 36 Ca 0.00 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 2h45 s PHE 36 Cb 0.00 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 2h45 s PHE 36 CO 0.00 0.18 -0.07 0.50 -0.10 0.00 0.00 175.22 175.73 2h45 s ARG 37 N -2.13 1.39 -0.13 0.44 3.52 0.15 0.13 118.95 122.33 2h45 s ARG 37 Ca 0.06 -0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2h45 s ARG 37 Cb -0.09 -1.43 -0.03 0.00 -1.56 0.00 0.00 34.95 31.84 2h45 s ARG 37 CO 0.04 -0.21 -0.04 0.08 -0.81 0.00 0.00 175.30 174.36 2h45 s VAL 38 N 1.53 3.93 -0.12 7.11 1.01 0.33 -0.19 120.40 134.00 2h45 s VAL 38 Ca 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2h45 s VAL 38 Cb -0.13 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2h45 s VAL 38 CO -0.05 0.52 -0.22 -0.70 0.00 0.00 0.00 175.10 174.65 2h45 s GLU 39 N 0.04 2.90 -0.04 2.72 2.12 -0.67 -0.61 118.70 125.16 2h45 s GLU 39 Ca 0.00 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.53 2h45 s GLU 39 Cb -0.13 -2.28 0.01 0.00 0.26 0.00 0.00 34.13 31.99 2h45 s GLU 39 CO 0.03 0.06 -0.09 1.52 -0.54 0.00 0.00 175.26 176.24 2h45 s TYR 40 N 0.62 1.03 0.17 5.30 1.13 -0.97 -2.01 117.35 122.63 2h45 s TYR 40 Ca -0.12 -0.31 -0.10 0.00 -1.41 0.00 0.00 57.07 55.13 2h45 s TYR 40 Cb -0.17 -0.78 -0.00 0.00 -1.10 0.00 0.00 41.96 39.91 2h45 s TYR 40 CO 0.03 -0.17 0.32 -1.83 -2.51 0.00 0.00 175.55 171.38 2h45 s GLU 41 N 0.52 1.19 0.04 -3.49 -1.05 -1.09 -2.68 118.70 112.14 2h45 s GLU 41 Ca -0.09 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.30 2h45 s GLU 41 Cb -0.12 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 2h45 s GLU 41 CO 0.01 -0.44 1.25 -0.51 0.95 0.00 0.00 175.26 176.52 2h45 s LEU 42 N -2.95 4.35 0.43 1.83 1.43 -1.26 0.18 118.68 122.69 2h45 s LEU 42 Ca 0.16 2.03 0.23 0.00 -1.03 0.00 0.00 54.13 55.52 2h45 s LEU 42 Cb 0.03 -3.57 0.90 0.00 0.03 0.00 0.00 46.19 43.58 2h45 s LEU 42 CO -0.00 -0.55 1.83 0.77 0.23 0.00 0.00 176.35 178.63 2h45 h SER 43 N 7.05 0.00 0.00 2.29 4.64 0.31 -3.36 113.55 124.48 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 0.26 0.00 -0.62 -0.87 0.00 0.00 176.83 176.44 2h45 n GLU 44 N -3.48 0.00 -2.16 4.77 -0.58 -1.26 -4.94 120.64 112.99 2h45 n GLU 44 Ca -0.00 0.12 -0.37 0.00 -0.42 0.00 0.00 57.16 56.48 2h45 n GLU 44 Cb 0.43 -0.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.79 2h45 n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2h45 s GLU 45 N -0.62 3.65 -0.48 3.49 2.02 -1.26 -4.92 118.70 120.58 2h45 s GLU 45 Ca 0.00 1.87 -0.01 0.00 0.02 0.00 0.00 54.97 56.86 2h45 s GLU 45 Cb 0.00 -2.39 0.38 0.00 0.10 0.00 0.00 34.13 32.21 2h45 s GLU 45 CO 0.00 -0.67 1.97 0.41 0.02 0.00 0.00 175.26 176.99 2h45 n GLY 46 N 0.51 4.85 3.30 -1.39 0.00 -1.26 -4.17 105.19 107.03 2h45 n GLY 46 Ca 0.08 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 2h45 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2h45 n ASP 47 N -0.43 -2.33 -4.73 1.61 9.92 -1.26 -4.86 116.55 114.47 2h45 n ASP 47 Ca 0.48 -0.18 -0.42 0.00 -0.53 0.00 0.00 54.79 54.15 2h45 n ASP 47 Cb 0.78 -1.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2h45 s GLU 48 N -3.66 4.45 0.55 -1.24 1.03 -1.26 -4.80 118.70 113.77 2h45 s GLU 48 Ca 0.58 1.88 -0.19 0.00 0.03 0.00 0.00 54.97 57.27 2h45 s GLU 48 Cb -0.14 -3.27 -0.05 0.00 -0.80 0.00 0.00 34.13 29.87 2h45 s GLU 48 CO 0.65 -0.19 1.13 -1.25 -1.33 0.00 0.00 175.26 174.28 2h45 s PRO 49 N 0.29 3.31 0.08 -4.83 0.04 -1.26 -4.93 135.00 127.70 2h45 s PRO 49 Ca 0.56 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.29 2h45 s PRO 49 Cb -0.32 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2h45 s PRO 49 CO 0.34 -0.88 -0.19 -0.65 0.04 0.00 0.00 177.00 175.66 2h45 s GLN 50 N -3.32 1.87 0.00 4.56 -0.21 -1.09 -5.00 119.66 116.47 2h45 s GLN 50 Ca 0.73 -1.11 0.06 0.00 0.02 0.00 0.00 55.36 55.06 2h45 s GLN 50 Cb -0.24 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 2h45 s GLN 50 CO 0.28 0.50 -0.19 0.71 -2.12 0.00 0.00 175.29 174.47 2h45 s TYR 51 N -1.03 1.68 -0.04 0.91 2.02 -1.26 -2.28 117.35 117.34 2h45 s TYR 51 Ca 0.16 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.56 2h45 s TYR 51 Cb -0.10 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 2h45 s TYR 51 CO 0.07 0.01 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.41 2h45 s LEU 52 N -0.68 1.85 -0.13 -1.29 1.43 0.22 -4.95 118.68 115.12 2h45 s LEU 52 Ca 0.07 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2h45 s LEU 52 Cb -0.08 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2h45 s LEU 52 CO 0.00 0.11 0.00 -1.81 0.23 0.00 0.00 176.35 174.89 2h45 s ASP 53 N 0.17 5.17 0.12 2.29 1.01 -1.26 -0.52 116.67 123.66 2h45 s ASP 53 Ca -0.05 0.03 0.05 0.00 0.71 0.00 0.00 52.55 53.29 2h45 s ASP 53 Cb -0.11 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 2h45 s ASP 53 CO 0.02 0.26 -0.12 -0.76 0.21 0.00 0.00 175.17 174.77 2h45 s LEU 54 N -0.16 2.43 0.68 1.23 1.43 0.12 -4.94 118.68 119.48 2h45 s LEU 54 Ca 0.05 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 2h45 s LEU 54 Cb -0.13 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.64 2h45 s LEU 54 CO 0.02 -0.20 1.16 -2.16 0.23 0.00 0.00 176.35 175.40 2h45 s PRO 55 N -2.92 2.54 0.38 1.29 0.04 -1.26 0.12 135.00 135.19 2h45 s PRO 55 Ca 0.10 1.59 0.22 0.00 0.04 0.00 0.00 61.00 62.95 2h45 s PRO 55 Cb -0.03 -1.90 1.21 0.00 0.04 0.00 0.00 34.50 33.82 2h45 s PRO 55 CO 0.02 -1.49 1.65 0.66 0.04 0.00 0.00 177.00 177.88 2h45 h SER 56 N -0.02 0.00 0.35 6.66 4.64 -1.80 0.57 113.55 123.96 2h45 h SER 56 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2h45 h SER 56 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2h45 h SER 56 CO 0.52 0.00 -0.44 0.35 -0.87 0.00 0.00 176.83 176.39 2h45 n THR 57 N -2.33 0.00 -2.85 2.95 -2.24 -1.26 -4.86 114.28 103.69 2h45 n THR 57 Ca -0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 2h45 n THR 57 Cb 0.15 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2h45 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 s ALA 58 N -2.80 3.28 -0.05 6.98 0.00 0.20 -4.93 121.76 124.44 2h45 s ALA 58 Ca 0.16 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.61 2h45 s ALA 58 Cb 0.18 -3.16 0.11 0.00 0.00 0.00 0.00 23.12 20.25 2h45 s ALA 58 CO 0.64 -0.05 1.00 0.25 0.00 0.00 0.00 175.76 177.61 2h45 n THR 59 N 3.14 0.82 -3.60 0.00 -2.24 -1.26 -4.88 114.28 106.26 2h45 n THR 59 Ca 0.01 -0.97 -0.12 0.00 -2.27 0.00 0.00 64.05 60.70 2h45 n THR 59 Cb 0.50 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.61 -0.53 -0.05 3.42 1.04 -1.26 -1.50 113.70 113.21 2h45 s SER 60 Ca 0.12 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.27 2h45 s SER 60 Cb 0.11 0.80 0.02 0.00 0.10 0.00 0.00 66.02 67.05 2h45 s SER 60 CO 0.01 -0.31 0.30 0.54 0.98 0.00 0.00 173.24 174.77 2h45 s VAL 61 N -0.34 0.04 -0.23 5.02 0.11 -0.50 -5.00 120.40 119.50 2h45 s VAL 61 Ca -0.01 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 2h45 s VAL 61 Cb -0.03 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2h45 s VAL 61 CO 0.00 -0.19 0.11 0.21 -3.33 0.00 0.00 175.10 171.90 2h45 s ASN 62 N -0.89 5.68 -0.43 3.54 3.04 -1.26 -1.91 114.94 122.71 2h45 s ASN 62 Ca -0.10 -0.01 -0.18 0.00 0.04 0.00 0.00 52.86 52.62 2h45 s ASN 62 Cb -0.04 -2.01 0.02 0.00 -1.54 0.00 0.00 41.25 37.67 2h45 s ASN 62 CO 0.03 0.05 0.49 -0.63 -3.04 0.00 0.00 177.10 174.00 2h45 s ILE 63 N 1.12 5.02 0.76 -5.21 1.01 0.61 -4.92 121.20 119.58 2h45 s ILE 63 Ca 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 2h45 s ILE 63 Cb -0.14 -4.09 0.15 0.00 0.01 0.00 0.00 42.46 38.39 2h45 s ILE 63 CO 0.04 -0.48 1.04 -2.16 0.00 0.00 0.00 174.94 173.39 2h45 s PRO 64 N 2.32 1.48 -1.46 2.79 0.04 -1.26 -2.37 135.00 136.54 2h45 s PRO 64 Ca 0.15 -1.12 -0.08 0.00 0.04 0.00 0.00 61.00 59.98 2h45 s PRO 64 Cb -0.16 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2h45 s PRO 64 CO 0.15 -1.62 0.90 -0.25 0.04 0.00 0.00 177.00 176.23 2h45 n ASP 65 N -2.96 -5.92 -4.84 6.66 8.00 -1.26 -4.97 116.55 111.25 2h45 n ASP 65 Ca 0.16 -0.47 -0.36 0.00 0.71 0.00 0.00 54.79 54.83 2h45 n ASP 65 Cb 0.61 -4.72 -0.06 0.00 -0.02 0.00 0.00 41.12 36.93 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 -7.03 4.37 -0.39 0.64 1.43 -0.97 -5.05 118.68 111.69 2h45 s LEU 66 Ca 0.48 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.41 2h45 s LEU 66 Cb -0.22 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 42.90 2h45 s LEU 66 CO 0.60 0.16 0.69 -0.76 0.23 0.00 0.00 176.35 177.26 2h45 s LEU 67 N -1.77 4.29 0.41 1.79 1.43 -1.26 -4.27 118.68 119.30 2h45 s LEU 67 Ca 0.35 0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 2h45 s LEU 67 Cb -0.15 -2.84 -0.10 0.00 0.03 0.00 0.00 46.19 43.12 2h45 s LEU 67 CO 0.18 -0.71 1.26 -2.65 0.23 0.00 0.00 176.35 174.66 2h45 n PRO 68 N 6.27 1.92 -1.03 1.29 -0.02 -1.26 -2.05 135.00 140.11 2h45 n PRO 68 Ca -0.00 0.68 -0.01 0.00 -2.02 0.00 0.00 63.50 62.15 2h45 n PRO 68 Cb 0.48 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.83 0.50 3.36 -1.23 0.00 -1.19 -5.02 105.19 102.44 2h45 n GLY 69 Ca 0.06 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.15 1.32 -0.19 1.61 1.81 -0.87 -4.95 118.95 116.53 2h45 s ARG 70 Ca 0.00 -1.32 -0.09 0.00 -1.72 0.00 0.00 55.73 52.60 2h45 s ARG 70 Cb 0.00 -1.70 -0.05 0.00 -0.45 0.00 0.00 34.95 32.76 2h45 s ARG 70 CO 0.00 0.39 0.12 0.21 -0.68 0.00 0.00 175.30 175.34 2h45 s LYS 71 N -2.15 4.08 0.17 3.54 2.20 -1.26 -2.06 119.74 124.27 2h45 s LYS 71 Ca 0.13 -0.24 0.10 0.00 -0.36 0.00 0.00 55.97 55.60 2h45 s LYS 71 Cb -0.09 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2h45 s LYS 71 CO 0.06 0.34 -0.16 0.71 -0.36 0.00 0.00 175.35 175.93 2h45 s TYR 72 N 0.24 2.50 -0.22 4.03 1.51 0.06 0.97 117.35 126.44 2h45 s TYR 72 Ca 0.08 -0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 2h45 s TYR 72 Cb -0.11 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2h45 s TYR 72 CO -0.01 0.48 0.01 0.42 -1.11 0.00 0.00 175.55 175.34 2h45 s ILE 73 N -1.58 3.94 -0.12 2.71 1.01 0.13 -1.26 121.20 126.04 2h45 s ILE 73 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 2h45 s ILE 73 Cb -0.09 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 2h45 s ILE 73 CO 0.12 0.41 -0.12 -0.69 0.00 0.00 0.00 174.94 174.66 2h45 s VAL 74 N 1.22 3.20 -0.04 2.92 1.01 0.14 -2.65 120.40 126.19 2h45 s VAL 74 Ca 0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2h45 s VAL 74 Cb -0.15 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2h45 s VAL 74 CO 0.01 0.53 0.01 0.20 0.00 0.00 0.00 175.10 175.85 2h45 s ASN 75 N 0.17 0.78 -0.18 3.32 0.01 -0.85 -0.38 114.94 117.80 2h45 s ASN 75 Ca -0.06 -0.03 -0.07 0.00 -0.71 0.00 0.00 52.86 51.99 2h45 s ASN 75 Cb -0.15 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 2h45 s ASN 75 CO 0.05 -0.14 0.07 -0.69 -1.51 0.00 0.00 177.10 174.88 2h45 s VAL 76 N 1.36 4.86 0.02 1.60 1.01 0.53 -1.68 120.40 128.10 2h45 s VAL 76 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2h45 s VAL 76 Cb -0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2h45 s VAL 76 CO -0.02 0.47 -0.26 -0.31 0.00 0.00 0.00 175.10 174.98 2h45 s TYR 77 N 0.24 2.30 -0.14 5.22 1.51 0.74 -2.23 117.35 124.99 2h45 s TYR 77 Ca 0.04 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2h45 s TYR 77 Cb -0.12 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2h45 s TYR 77 CO 0.00 0.07 0.01 1.14 -1.11 0.00 0.00 175.55 175.66 2h45 s GLN 78 N -1.04 3.56 -0.24 -0.62 -2.07 -0.64 0.34 119.66 118.96 2h45 s GLN 78 Ca 0.11 -0.43 -0.14 0.00 -1.82 0.00 0.00 55.36 53.08 2h45 s GLN 78 Cb -0.10 -2.97 -0.04 0.00 -1.09 0.00 0.00 33.01 28.81 2h45 s GLN 78 CO 0.01 0.40 0.33 0.42 -1.32 0.00 0.00 175.29 175.13 2h45 s ILE 79 N -0.03 5.22 0.75 3.63 1.01 0.16 -1.20 121.20 130.74 2h45 s ILE 79 Ca 0.03 0.53 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 2h45 s ILE 79 Cb -0.13 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.73 2h45 s ILE 79 CO 0.02 0.23 1.11 -0.94 0.00 0.00 0.00 174.94 175.36 2h45 s SER 80 N 1.32 4.88 0.53 3.58 1.04 0.82 0.35 113.70 126.23 2h45 s SER 80 Ca 0.15 0.83 0.33 0.00 0.48 0.00 0.00 55.95 57.74 2h45 s SER 80 Cb -0.15 -1.46 1.81 0.00 0.10 0.00 0.00 66.02 66.32 2h45 s SER 80 CO 0.08 -1.65 2.01 -0.33 0.98 0.00 0.00 173.24 174.34 2h45 h GLU 81 N -0.82 0.00 -0.02 4.02 5.08 -1.83 0.15 114.58 121.16 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 0.64 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 2h45 n ASP 82 N -2.71 2.01 0.00 1.42 5.68 -1.26 -4.93 116.55 116.77 2h45 n ASP 82 Ca -0.02 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 2h45 n ASP 82 Cb 0.11 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.23 0.70 3.83 6.12 0.00 0.53 -5.06 105.19 112.55 2h45 n GLY 83 Ca 0.17 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.46 4.09 -0.04 1.61 0.41 -1.26 -4.79 118.70 118.26 2h45 s GLU 84 Ca 0.00 0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 55.19 2h45 s GLU 84 Cb 0.00 -2.91 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 2h45 s GLU 84 CO 0.00 0.44 0.09 -0.65 -0.49 0.00 0.00 175.26 174.65 2h45 s GLN 85 N -1.96 3.17 -0.09 1.61 -0.21 -1.26 -0.12 119.66 120.79 2h45 s GLN 85 Ca 0.40 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.41 2h45 s GLN 85 Cb -0.16 -2.94 0.02 0.00 1.00 0.00 0.00 33.01 30.93 2h45 s GLN 85 CO 0.20 0.69 -0.10 -1.12 -2.12 0.00 0.00 175.29 172.83 2h45 s SER 86 N -1.45 1.98 -0.25 5.90 0.01 -0.34 -4.89 113.70 114.65 2h45 s SER 86 Ca 0.20 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 2h45 s SER 86 Cb -0.12 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.26 2h45 s SER 86 CO 0.10 -0.04 1.44 -0.22 0.41 0.00 0.00 173.24 174.93 2h45 s LEU 87 N 1.16 3.92 -0.05 2.44 2.96 -1.26 -1.61 118.68 126.23 2h45 s LEU 87 Ca -0.05 1.43 0.11 0.00 -0.22 0.00 0.00 54.13 55.40 2h45 s LEU 87 Cb -0.14 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 2h45 s LEU 87 CO -0.02 -1.13 0.17 2.30 -1.32 0.00 0.00 176.35 176.35 2h45 n ILE 88 N 6.22 0.25 -3.66 6.68 -5.35 -0.95 -5.01 119.36 117.55 2h45 n ILE 88 Ca 0.16 -0.32 -0.08 0.00 -0.27 0.00 0.00 62.75 62.24 2h45 n ILE 88 Cb 0.46 -0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.18 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 -4.13 -0.67 -0.07 7.28 2.96 -1.22 -4.97 118.68 117.85 2h45 s LEU 89 Ca -0.04 1.28 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 2h45 s LEU 89 Cb 0.06 1.96 0.02 0.00 0.50 0.00 0.00 46.19 48.73 2h45 s LEU 89 CO 0.46 -0.22 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.65 2h45 s SER 90 N 1.78 1.61 0.07 3.68 0.15 -1.26 -0.35 113.70 119.38 2h45 s SER 90 Ca -0.09 -0.22 -0.18 0.00 0.70 0.00 0.00 55.95 56.16 2h45 s SER 90 Cb -0.07 -0.66 0.04 0.00 -1.71 0.00 0.00 66.02 63.62 2h45 s SER 90 CO -0.17 -0.07 0.43 0.28 1.20 0.00 0.00 173.24 174.91 2h45 s THR 91 N 1.22 0.05 0.20 6.45 -1.32 0.49 -5.01 115.64 117.72 2h45 s THR 91 Ca -0.05 -0.45 0.10 0.00 -1.21 0.00 0.00 61.69 60.08 2h45 s THR 91 Cb -0.14 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 2h45 s THR 91 CO -0.02 -0.25 -0.13 -0.94 -2.21 0.00 0.00 174.62 171.07 2h45 s SER 92 N -2.25 4.01 0.05 8.08 1.04 -1.26 0.23 113.70 123.60 2h45 s SER 92 Ca -0.03 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 2h45 s SER 92 Cb 0.00 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 2h45 s SER 92 CO -0.05 0.09 0.04 -1.10 0.98 0.00 0.00 173.24 173.20 2h45 s GLN 93 N -2.94 0.63 -0.29 4.02 -0.21 -0.38 -4.96 119.66 115.52 2h45 s GLN 93 Ca 0.25 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.65 2h45 s GLN 93 Cb -0.08 0.23 0.08 0.00 1.00 0.00 0.00 33.01 34.25 2h45 s GLN 93 CO 0.14 -0.15 -0.01 0.99 -2.12 0.00 0.00 175.29 174.15 2h45 s THR 94 N -3.40 1.92 -1.03 -0.19 2.01 -1.26 -0.76 115.64 112.93 2h45 s THR 94 Ca 0.02 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.21 2h45 s THR 94 Cb 0.04 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2h45 s THR 94 CO -0.08 -0.35 0.26 0.35 -0.69 0.00 0.00 174.62 174.10