#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7k n SER 2 N 0.00 -4.30 -4.34 1.61 2.88 -1.26 -5.03 113.62 103.17 2e7k n SER 2 Ca 0.00 -0.33 -0.30 0.00 -1.33 0.00 0.00 58.87 56.91 2e7k n SER 2 Cb 0.00 -3.21 -0.15 0.00 -0.75 0.00 0.00 64.21 60.10 2e7k n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e7k s SER 3 N -3.27 3.17 0.00 -3.46 0.15 -1.26 -4.95 113.70 104.08 2e7k s SER 3 Ca 0.31 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2e7k s SER 3 Cb -0.14 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 2e7k s SER 3 CO 0.43 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.75 2e7k n GLY 4 N 1.85 1.69 3.46 9.45 0.00 -1.26 -4.96 105.19 115.42 2e7k n GLY 4 Ca -0.17 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 2e7k n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e7k n SER 5 N 0.00 -6.11 -4.75 1.61 7.64 -1.26 -4.93 113.62 105.82 2e7k n SER 5 Ca 0.00 -0.50 -0.41 0.00 1.01 0.00 0.00 58.87 58.96 2e7k n SER 5 Cb 0.00 -4.74 -0.02 0.00 -1.01 0.00 0.00 64.21 58.44 2e7k n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e7k s SER 6 N -3.30 6.58 0.00 6.43 1.04 -1.26 -5.01 113.70 118.18 2e7k s SER 6 Ca 0.55 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.73 2e7k s SER 6 Cb -0.24 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.25 2e7k s SER 6 CO 0.68 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2e7k n GLY 7 N 2.16 0.06 3.00 7.32 0.00 -1.26 -4.94 105.19 111.53 2e7k n GLY 7 Ca 0.07 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2e7k n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e7k s ARG 8 N 0.00 2.37 -0.36 1.61 3.52 -0.63 -4.83 118.95 120.63 2e7k s ARG 8 Ca 0.00 -2.79 -0.28 0.00 -0.13 0.00 0.00 55.73 52.53 2e7k s ARG 8 Cb 0.00 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 2e7k s ARG 8 CO 0.00 -1.17 1.97 -1.64 -0.81 0.00 0.00 175.30 173.65 2e7k s MET 9 N -0.53 3.05 -0.27 5.12 -1.94 -1.23 -3.19 119.30 120.30 2e7k s MET 9 Ca 0.19 1.45 -0.09 0.00 -1.71 0.00 0.00 55.69 55.53 2e7k s MET 9 Cb -0.19 -4.31 -0.03 0.00 2.01 0.00 0.00 34.83 32.31 2e7k s MET 9 CO -0.05 -2.20 0.13 0.08 -0.01 0.00 0.00 175.02 172.97 2e7k s VAL 10 N 8.13 4.74 -0.21 -6.03 1.01 -0.84 -4.84 120.40 122.37 2e7k s VAL 10 Ca 0.85 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 2e7k s VAL 10 Cb -0.23 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2e7k s VAL 10 CO 0.31 0.26 0.45 -0.83 0.00 0.00 0.00 175.10 175.29 2e7k s GLY 11 N 1.67 2.05 -0.05 4.51 0.00 -1.26 -2.54 107.32 111.70 2e7k s GLY 11 Ca 0.06 -0.50 0.05 0.00 0.00 0.00 0.00 44.72 44.33 2e7k s GLY 11 CO 0.07 0.96 -0.20 -0.42 0.00 0.00 0.00 173.10 173.51 2e7k s ILE 12 N 1.56 1.66 -1.00 0.90 1.01 -1.05 -4.99 121.20 119.30 2e7k s ILE 12 Ca 0.21 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 2e7k s ILE 12 Cb -0.15 -1.42 0.25 0.00 0.01 0.00 0.00 42.46 41.15 2e7k s ILE 12 CO 0.09 0.47 0.96 -0.60 0.00 0.00 0.00 174.94 175.86 2e7k s ARG 13 N 0.03 3.90 0.59 2.79 6.06 -1.26 -3.26 118.95 127.80 2e7k s ARG 13 Ca -0.06 -2.99 0.09 0.00 -2.50 0.00 0.00 55.73 50.28 2e7k s ARG 13 Cb -0.13 -4.44 0.09 0.00 0.06 0.00 0.00 34.95 30.53 2e7k s ARG 13 CO 0.03 -1.26 0.78 -1.59 -2.50 0.00 0.00 175.30 170.77 2e7k s LYS 14 N -0.83 2.23 -0.05 5.12 -2.85 -1.26 -5.08 119.74 117.02 2e7k s LYS 14 Ca 0.26 -1.75 0.06 0.00 -1.00 0.00 0.00 55.97 53.55 2e7k s LYS 14 Cb -0.10 -2.57 -0.01 0.00 -2.06 0.00 0.00 37.83 33.09 2e7k s LYS 14 CO -0.09 -0.92 -0.25 0.95 0.10 0.00 0.00 175.35 175.14 2e7k s THR 15 N -2.73 2.02 -0.89 3.79 -4.23 -1.26 -4.20 115.64 108.14 2e7k s THR 15 Ca 0.59 -1.06 -0.31 0.00 -1.18 0.00 0.00 61.69 59.73 2e7k s THR 15 Cb -0.05 -1.70 -0.20 0.00 1.34 0.00 0.00 72.50 71.89 2e7k s THR 15 CO 0.38 0.56 2.62 0.00 -0.54 0.00 0.00 174.62 177.64 2e7k n ALA 16 N 2.85 0.37 0.00 3.99 0.00 -1.26 -0.22 120.51 126.24 2e7k n ALA 16 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2e7k n ALA 16 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2e7k n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e7k n GLY 17 N 6.49 3.83 3.56 0.00 0.00 -0.89 -5.04 105.19 113.13 2e7k n GLY 17 Ca 0.61 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2e7k n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e7k n GLU 18 N 0.00 0.37 -4.31 1.61 -0.58 0.69 -4.88 120.64 113.54 2e7k n GLU 18 Ca 0.00 0.18 -0.30 0.00 -0.42 0.00 0.00 57.16 56.62 2e7k n GLU 18 Cb 0.00 -2.07 -0.04 0.00 -0.57 0.00 0.00 31.44 28.76 2e7k n GLU 18 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2e7k n HIS 19 N -2.57 0.49 -0.07 -0.32 8.25 -1.26 -4.31 115.22 115.43 2e7k n HIS 19 Ca 0.12 -2.39 -0.07 0.00 -0.26 0.00 0.00 57.72 55.11 2e7k n HIS 19 Cb 0.50 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 2e7k n HIS 19 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2e7k n LEU 20 N 0.00 1.56 0.00 2.41 7.99 -1.26 -4.69 117.00 123.01 2e7k n LEU 20 Ca -0.14 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2e7k n LEU 20 Cb 0.63 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2e7k n LEU 20 CO 0.35 -0.32 0.00 0.61 -1.51 0.00 0.00 177.39 176.52 2e7k n GLY 21 N 1.47 1.59 3.51 -0.72 0.00 -1.26 -2.77 105.19 107.01 2e7k n GLY 21 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2e7k n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e7k s VAL 22 N -2.00 1.52 -0.11 1.61 -7.23 -1.26 -0.92 120.40 112.01 2e7k s VAL 22 Ca 0.00 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2e7k s VAL 22 Cb 0.00 -2.86 0.03 0.00 0.56 0.00 0.00 36.38 34.11 2e7k s VAL 22 CO 0.00 -0.01 -0.02 0.42 -0.31 0.00 0.00 175.10 175.18 2e7k s THR 23 N -3.06 0.60 0.18 5.32 -4.23 0.10 -4.94 115.64 109.61 2e7k s THR 23 Ca 0.36 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 2e7k s THR 23 Cb 0.09 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 2e7k s THR 23 CO 0.16 0.21 0.33 -0.36 -0.54 0.00 0.00 174.62 174.42 2e7k s PHE 24 N 1.87 3.48 0.08 3.99 0.08 -1.26 0.12 117.98 126.35 2e7k s PHE 24 Ca 0.04 0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.32 2e7k s PHE 24 Cb -0.13 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2e7k s PHE 24 CO -0.07 0.45 -0.12 -0.98 -0.10 0.00 0.00 175.22 174.41 2e7k s ARG 25 N -3.36 0.82 -0.51 0.44 1.70 0.54 -4.72 118.95 113.86 2e7k s ARG 25 Ca 0.36 -1.05 -0.17 0.00 -0.47 0.00 0.00 55.73 54.40 2e7k s ARG 25 Cb -0.11 -0.65 0.08 0.00 -0.57 0.00 0.00 34.95 33.71 2e7k s ARG 25 CO 0.29 0.12 0.53 0.08 -1.08 0.00 0.00 175.30 175.24 2e7k s VAL 26 N -1.88 5.06 -0.35 4.99 1.01 -1.26 -1.92 120.40 126.05 2e7k s VAL 26 Ca 0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 2e7k s VAL 26 Cb -0.06 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2e7k s VAL 26 CO 0.01 -0.78 0.11 -1.61 0.00 0.00 0.00 175.10 172.83 2e7k s GLU 27 N 2.09 2.49 0.00 2.72 0.41 -1.04 -4.79 118.70 120.58 2e7k s GLU 27 Ca 0.08 -1.32 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 2e7k s GLU 27 Cb -0.24 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.66 2e7k s GLU 27 CO 0.08 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 2e7k n GLY 28 N 4.75 1.29 0.00 -1.39 0.00 -1.26 -3.19 105.19 105.38 2e7k n GLY 28 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2e7k n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7k n GLY 29 N 0.00 0.00 3.48 -0.02 0.00 -1.26 -5.17 105.19 102.22 2e7k n GLY 29 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2e7k n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e7k s GLU 30 N 0.00 1.49 -0.19 1.61 -1.05 -1.19 -4.93 118.70 114.44 2e7k s GLU 30 Ca 0.00 -1.41 -0.05 0.00 -0.15 0.00 0.00 54.97 53.37 2e7k s GLU 30 Cb 0.00 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2e7k s GLU 30 CO 0.00 -0.59 -0.00 -0.51 0.95 0.00 0.00 175.26 175.10 2e7k s LEU 31 N -3.08 3.27 0.04 1.83 1.43 -1.26 -2.49 118.68 118.42 2e7k s LEU 31 Ca 0.28 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 2e7k s LEU 31 Cb 0.01 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2e7k s LEU 31 CO 0.11 0.08 -0.12 0.54 0.23 0.00 0.00 176.35 177.19 2e7k s VAL 32 N 0.88 0.95 -0.55 -1.59 0.11 -0.81 -1.64 120.40 117.75 2e7k s VAL 32 Ca 0.01 -1.00 -0.27 0.00 -2.93 0.00 0.00 61.98 57.78 2e7k s VAL 32 Cb -0.14 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2e7k s VAL 32 CO 0.02 -0.10 1.83 -0.63 -3.33 0.00 0.00 175.10 172.89 2e7k s ILE 33 N -0.96 3.41 0.03 7.04 1.01 -1.15 -0.34 121.20 130.24 2e7k s ILE 33 Ca -0.01 0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 2e7k s ILE 33 Cb -0.08 -3.90 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 2e7k s ILE 33 CO 0.01 -0.81 1.32 0.00 0.00 0.00 0.00 174.94 175.46 2e7k h ALA 34 N 14.35 0.20 -2.62 9.38 0.00 0.62 -3.13 119.26 138.05 2e7k h ALA 34 Ca -0.27 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 2e7k h ALA 34 Cb 1.16 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2e7k h ALA 34 CO 1.18 0.10 -0.07 0.50 0.00 0.00 0.00 179.25 180.96 2e7k s ARG 35 N -4.19 1.00 -0.28 0.00 3.52 -0.97 -4.92 118.95 113.10 2e7k s ARG 35 Ca -0.14 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 54.98 2e7k s ARG 35 Cb 0.05 0.44 0.08 0.00 -1.56 0.00 0.00 34.95 33.97 2e7k s ARG 35 CO 0.75 -0.37 0.02 0.42 -0.81 0.00 0.00 175.30 175.32 2e7k s ILE 36 N -3.02 1.46 0.07 4.11 1.01 -1.26 -0.72 121.20 122.86 2e7k s ILE 36 Ca -0.02 -1.52 -0.31 0.00 0.00 0.00 0.00 60.65 58.81 2e7k s ILE 36 Cb 0.00 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 2e7k s ILE 36 CO -0.06 -0.41 1.85 -0.76 0.00 0.00 0.00 174.94 175.56 2e7k s LEU 37 N 1.37 4.40 1.06 2.97 1.02 -0.10 -4.85 118.68 124.55 2e7k s LEU 37 Ca 0.03 2.66 -0.14 0.00 0.02 0.00 0.00 54.13 56.70 2e7k s LEU 37 Cb -0.18 -3.55 0.14 0.00 0.02 0.00 0.00 46.19 42.62 2e7k s LEU 37 CO -0.13 -1.01 0.53 1.41 0.02 0.00 0.00 176.35 177.18 2e7k n HIS 38 N 6.46 -1.05 -3.00 0.29 8.25 -1.26 -4.10 115.22 120.81 2e7k n HIS 38 Ca 0.18 0.13 -0.13 0.00 -0.26 0.00 0.00 57.72 57.65 2e7k n HIS 38 Cb 0.40 -1.72 0.06 0.00 1.12 0.00 0.00 29.99 29.85 2e7k n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2e7k n GLY 39 N 1.37 -0.68 2.57 -1.41 0.00 -1.26 -4.99 105.19 100.79 2e7k n GLY 39 Ca 0.05 0.34 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 2e7k n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7k n GLY 40 N -1.24 1.39 0.27 -0.02 0.00 -1.26 -5.01 105.19 99.33 2e7k n GLY 40 Ca -0.10 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2e7k n GLY 40 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2e7k h MET 41 N 0.00 -0.48 0.67 1.61 1.85 -1.79 -1.26 114.93 115.53 2e7k h MET 41 Ca -0.23 0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 58.86 2e7k h MET 41 Cb 0.85 0.11 0.01 0.00 0.43 0.00 0.00 31.60 33.00 2e7k h MET 41 CO 0.29 -0.32 -0.32 0.28 -0.40 0.00 0.00 176.91 176.44 2e7k h VAL 42 N -0.50 0.00 -0.70 -5.77 2.07 -1.84 0.85 116.25 110.35 2e7k h VAL 42 Ca -0.02 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2e7k h VAL 42 Cb 0.46 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.10 2e7k h VAL 42 CO -0.09 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.36 2e7k n ALA 43 N -2.47 0.20 -0.04 1.67 0.00 -1.23 0.11 120.51 118.75 2e7k n ALA 43 Ca -0.11 0.77 -0.14 0.00 0.00 0.00 0.00 53.44 53.95 2e7k n ALA 43 Cb 0.35 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 2e7k n ALA 43 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e7k h GLN 44 N 0.00 0.33 -6.50 0.00 1.08 -1.12 -3.42 115.11 105.48 2e7k h GLN 44 Ca 0.35 -0.24 -0.57 0.00 -1.45 0.00 0.00 58.65 56.75 2e7k h GLN 44 Cb 0.58 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 2e7k h GLN 44 CO -0.71 0.86 1.02 -0.65 -0.95 0.00 0.00 178.83 178.40 2e7k s GLN 45 N -3.79 3.70 0.00 1.46 -0.21 0.30 -4.90 119.66 116.22 2e7k s GLN 45 Ca -0.14 0.98 -0.04 0.00 0.02 0.00 0.00 55.36 56.18 2e7k s GLN 45 Cb 0.04 -3.96 -0.19 0.00 1.00 0.00 0.00 33.01 29.89 2e7k s GLN 45 CO 0.77 -1.40 3.09 0.41 -2.12 0.00 0.00 175.29 176.03 2e7k n GLY 46 N 4.81 2.78 0.40 3.09 0.00 -1.26 -3.92 105.19 111.09 2e7k n GLY 46 Ca 0.15 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 2e7k n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e7k n LEU 47 N 2.27 1.50 -4.79 0.99 4.77 -1.26 -5.02 117.00 115.46 2e7k n LEU 47 Ca 0.31 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 56.14 2e7k n LEU 47 Cb 0.78 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2e7k n LEU 47 CO 0.09 0.43 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.58 2e7k s LEU 48 N -6.83 3.91 0.09 2.23 1.43 -1.25 -5.12 118.68 113.14 2e7k s LEU 48 Ca -0.25 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 2e7k s LEU 48 Cb 0.09 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.97 2e7k s LEU 48 CO 0.32 0.24 0.46 -1.00 0.23 0.00 0.00 176.35 176.60 2e7k s HIS 49 N -1.27 -0.31 0.01 0.29 3.76 -1.26 -4.87 115.29 111.64 2e7k s HIS 49 Ca 0.25 0.18 -0.33 0.00 -0.15 0.00 0.00 55.06 55.01 2e7k s HIS 49 Cb -0.12 0.30 -0.17 0.00 1.11 0.00 0.00 32.58 33.70 2e7k s HIS 49 CO 0.17 -0.67 0.87 0.28 -0.85 0.00 0.00 174.74 174.55 2e7k n VAL 50 N 0.12 0.14 0.00 -0.90 0.31 -1.26 -1.89 118.33 114.85 2e7k n VAL 50 Ca -0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2e7k n VAL 50 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2e7k n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2e7k n GLY 51 N 1.31 1.43 3.68 2.92 0.00 -1.18 -5.00 105.19 108.35 2e7k n GLY 51 Ca 0.17 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 2e7k n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e7k n ASP 52 N 0.03 3.59 -4.72 1.61 9.92 -0.79 -4.77 116.55 121.42 2e7k n ASP 52 Ca 0.00 0.99 -0.36 0.00 -0.53 0.00 0.00 54.79 54.89 2e7k n ASP 52 Cb 0.00 -1.44 -0.08 0.00 -0.64 0.00 0.00 41.12 38.97 2e7k n ASP 52 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2e7k s ILE 53 N 3.21 5.36 -0.18 0.53 1.01 -1.12 -2.93 121.20 127.09 2e7k s ILE 53 Ca 0.87 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 61.74 2e7k s ILE 53 Cb -0.61 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2e7k s ILE 53 CO 0.45 0.41 0.21 -0.63 0.00 0.00 0.00 174.94 175.38 2e7k s ILE 54 N 0.50 5.36 -0.24 2.92 1.01 -0.65 0.67 121.20 130.76 2e7k s ILE 54 Ca 0.11 0.37 -0.13 0.00 0.00 0.00 0.00 60.65 61.00 2e7k s ILE 54 Cb -0.12 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 2e7k s ILE 54 CO 0.01 0.42 -0.33 1.17 0.00 0.00 0.00 174.94 176.21 2e7k n LYS 55 N 3.51 0.54 -3.91 2.79 3.00 -0.23 -4.23 118.16 119.63 2e7k n LYS 55 Ca -0.14 0.23 -0.10 0.00 -0.00 0.00 0.00 58.31 58.30 2e7k n LYS 55 Cb 0.52 -1.41 -0.10 0.00 0.00 0.00 0.00 35.03 34.04 2e7k n LYS 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2e7k s GLU 56 N -2.52 0.48 -0.19 1.64 2.12 -1.25 -4.35 118.70 114.62 2e7k s GLU 56 Ca -0.35 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 2e7k s GLU 56 Cb 0.12 0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.77 2e7k s GLU 56 CO 0.44 -0.11 0.05 0.08 -0.54 0.00 0.00 175.26 175.18 2e7k s VAL 57 N -1.69 0.43 -0.86 3.70 1.01 -0.66 -1.11 120.40 121.23 2e7k s VAL 57 Ca -0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2e7k s VAL 57 Cb -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2e7k s VAL 57 CO -0.00 -0.23 0.75 0.59 0.00 0.00 0.00 175.10 176.20 2e7k n ASN 58 N 5.08 -4.29 -3.57 3.32 3.02 -1.14 -3.11 115.26 114.58 2e7k n ASN 58 Ca -0.09 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.88 2e7k n ASN 58 Cb 0.47 -3.46 0.08 0.00 -0.61 0.00 0.00 39.78 36.26 2e7k n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e7k n GLY 59 N -1.40 -0.47 3.46 7.41 0.00 -1.26 -5.00 105.19 107.92 2e7k n GLY 59 Ca -0.03 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2e7k n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e7k s GLN 60 N -6.01 0.74 -0.09 1.61 -0.21 -1.18 -5.13 119.66 109.39 2e7k s GLN 60 Ca 0.38 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.06 2e7k s GLN 60 Cb -0.17 0.36 -0.04 0.00 1.00 0.00 0.00 33.01 34.15 2e7k s GLN 60 CO 0.74 -0.14 1.52 -1.25 -2.12 0.00 0.00 175.29 174.04 2e7k s PRO 61 N -0.14 4.20 0.65 2.91 0.04 -1.26 -1.65 135.00 139.75 2e7k s PRO 61 Ca -0.03 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.24 2e7k s PRO 61 Cb -0.03 -3.90 1.13 0.00 0.04 0.00 0.00 34.50 31.73 2e7k s PRO 61 CO 0.03 -0.79 1.63 -0.39 0.04 0.00 0.00 177.00 177.51 2e7k h VAL 62 N 5.52 0.06 -0.58 -0.36 -1.51 -1.91 -3.44 116.25 114.03 2e7k h VAL 62 Ca -0.35 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.10 2e7k h VAL 62 Cb 1.15 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2e7k h VAL 62 CO 0.96 0.00 -0.02 0.61 -1.23 0.00 0.00 177.57 177.88 2e7k n GLY 63 N -1.38 0.57 2.42 5.19 0.00 -1.26 -3.73 105.19 107.01 2e7k n GLY 63 Ca 0.02 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 2e7k n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e7k n SER 64 N 1.62 -0.89 -3.83 1.61 3.41 -1.26 -4.83 113.62 109.44 2e7k n SER 64 Ca -0.01 0.04 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 2e7k n SER 64 Cb 0.51 -0.85 -0.17 0.00 -0.26 0.00 0.00 64.21 63.44 2e7k n SER 64 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2e7k s ASP 65 N -1.77 1.98 -0.02 4.04 1.01 -1.24 -4.89 116.67 115.77 2e7k s ASP 65 Ca 0.16 -0.25 -0.25 0.00 0.71 0.00 0.00 52.55 52.92 2e7k s ASP 65 Cb -0.09 -0.64 -0.19 0.00 1.01 0.00 0.00 42.92 43.00 2e7k s ASP 65 CO 0.19 -0.17 1.21 1.55 0.21 0.00 0.00 175.17 178.17 2e7k h PRO 66 N 8.25 -0.08 -0.96 8.23 0.13 -1.88 -1.79 132.00 143.90 2e7k h PRO 66 Ca -0.24 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.98 2e7k h PRO 66 Cb 1.13 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 2e7k h PRO 66 CO 0.33 0.37 0.62 0.00 -0.23 0.00 0.00 178.00 179.09 2e7k h ARG 67 N -0.57 1.03 -0.03 0.86 3.08 -1.96 -0.13 114.38 116.65 2e7k h ARG 67 Ca -0.01 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 2e7k h ARG 67 Cb 0.49 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2e7k h ARG 67 CO 0.01 0.68 -0.62 0.00 -1.07 0.00 0.00 179.97 178.97 2e7k h ALA 68 N 1.50 0.90 0.34 0.04 0.00 -1.90 -3.16 119.26 116.98 2e7k h ALA 68 Ca 0.43 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2e7k h ALA 68 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2e7k h ALA 68 CO -0.18 0.76 -0.16 1.25 0.00 0.00 0.00 179.25 180.91 2e7k h LEU 69 N 0.09 -0.39 -1.84 0.00 5.85 -0.27 -2.80 115.31 115.95 2e7k h LEU 69 Ca -0.01 0.01 0.48 0.00 0.84 0.00 0.00 57.88 59.20 2e7k h LEU 69 Cb 1.11 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 2e7k h LEU 69 CO 0.09 -0.07 1.13 1.56 -0.34 0.00 0.00 178.44 180.82 2e7k h GLN 70 N -0.88 0.03 -0.06 1.25 4.20 -1.19 1.51 115.11 119.97 2e7k h GLN 70 Ca -0.05 -0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 2e7k h GLN 70 Cb 0.35 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2e7k h GLN 70 CO 0.08 0.02 -0.83 1.49 -0.67 0.00 0.00 178.83 178.91 2e7k h GLU 71 N 0.03 0.51 -0.63 1.46 4.22 -1.54 -3.18 114.58 115.45 2e7k h GLU 71 Ca 0.81 -0.46 0.03 0.00 0.08 0.00 0.00 59.36 59.82 2e7k h GLU 71 Cb 3.07 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 32.39 2e7k h GLU 71 CO -0.11 1.10 0.39 1.37 -2.18 0.00 0.00 179.01 179.57 2e7k h LEU 72 N 0.32 0.62 -0.91 1.64 8.10 0.24 -2.18 115.31 123.15 2e7k h LEU 72 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.94 2e7k h LEU 72 Cb 1.44 -0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 41.49 2e7k h LEU 72 CO 0.15 0.43 0.57 -0.07 -4.11 0.00 0.00 178.44 175.41 2e7k h LEU 73 N 0.75 1.07 0.29 0.17 3.38 -1.51 0.34 115.31 119.80 2e7k h LEU 73 Ca 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2e7k h LEU 73 Cb 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2e7k h LEU 73 CO -0.11 0.80 -0.42 -0.09 0.09 0.00 0.00 178.44 178.71 2e7k h ARG 74 N 1.24 -0.74 -0.40 1.13 2.43 -1.38 -2.78 114.38 113.89 2e7k h ARG 74 Ca 0.33 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.42 2e7k h ARG 74 Cb -0.09 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2e7k h ARG 74 CO -0.07 -0.50 -0.28 -2.95 -1.51 0.00 0.00 179.97 174.67 2e7k h ASN 75 N -0.77 0.88 -1.11 -3.80 7.08 -1.36 -2.37 115.58 114.13 2e7k h ASN 75 Ca -0.01 -0.35 -0.58 0.00 -3.08 0.00 0.00 56.30 52.28 2e7k h ASN 75 Cb 0.73 -0.24 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 2e7k h ASN 75 CO -0.14 1.10 1.55 0.00 -2.08 0.00 0.00 177.43 177.85 2e7k n ALA 76 N -2.52 0.91 -2.64 4.14 0.00 0.12 -4.75 120.51 115.78 2e7k n ALA 76 Ca -0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2e7k n ALA 76 Cb 0.48 -2.72 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 2e7k n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2e7k s SER 77 N 9.10 5.37 0.28 0.00 0.15 -1.26 -4.72 113.70 122.62 2e7k s SER 77 Ca 1.10 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2e7k s SER 77 Cb -0.70 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2e7k s SER 77 CO 0.41 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2e7k n GLY 78 N -1.29 -0.19 3.67 9.45 0.00 -1.26 -4.74 105.19 110.83 2e7k n GLY 78 Ca -0.04 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2e7k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7k s SER 79 N -4.00 6.60 -0.03 1.61 1.04 -1.26 -4.36 113.70 113.30 2e7k s SER 79 Ca 0.00 2.39 0.07 0.00 0.48 0.00 0.00 55.95 58.89 2e7k s SER 79 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2e7k s SER 79 CO 0.00 -0.94 -0.22 -0.69 0.98 0.00 0.00 173.24 172.37 2e7k s VAL 80 N 3.79 2.40 0.07 5.02 1.01 -1.20 -5.01 120.40 126.48 2e7k s VAL 80 Ca 0.77 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2e7k s VAL 80 Cb -0.37 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2e7k s VAL 80 CO 0.33 0.58 -0.21 -0.63 0.00 0.00 0.00 175.10 175.17 2e7k s ILE 81 N -0.66 2.63 -0.17 2.22 -1.09 -1.26 -2.54 121.20 120.34 2e7k s ILE 81 Ca 0.11 -1.37 -0.03 0.00 -2.23 0.00 0.00 60.65 57.12 2e7k s ILE 81 Cb -0.10 -2.13 0.05 0.00 -1.58 0.00 0.00 42.46 38.70 2e7k s ILE 81 CO -0.00 0.25 0.05 -0.76 -1.23 0.00 0.00 174.94 173.25 2e7k s LEU 82 N -1.66 0.81 -0.52 2.97 1.43 -1.05 -2.87 118.68 117.78 2e7k s LEU 82 Ca 0.15 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 2e7k s LEU 82 Cb -0.10 -0.45 0.04 0.00 0.03 0.00 0.00 46.19 45.70 2e7k s LEU 82 CO 0.06 -0.30 0.93 -0.75 0.23 0.00 0.00 176.35 176.51 2e7k s LYS 83 N 1.97 3.39 0.26 1.70 2.20 -0.26 -1.98 119.74 127.01 2e7k s LYS 83 Ca 0.01 -0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 2e7k s LYS 83 Cb -0.16 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 2e7k s LYS 83 CO -0.08 -1.39 0.32 0.42 -0.36 0.00 0.00 175.35 174.26 2e7k s ILE 84 N 3.86 4.82 -0.18 5.43 -1.09 -1.19 -1.07 121.20 131.78 2e7k s ILE 84 Ca 0.32 -1.13 -0.07 0.00 -2.23 0.00 0.00 60.65 57.54 2e7k s ILE 84 Cb -0.12 -3.65 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 2e7k s ILE 84 CO 0.21 -0.31 0.38 -0.76 -1.23 0.00 0.00 174.94 173.24 2e7k s LEU 85 N -3.96 -0.49 1.26 2.97 1.02 0.21 -1.60 118.68 118.09 2e7k s LEU 85 Ca 0.35 0.89 -0.18 0.00 0.02 0.00 0.00 54.13 55.22 2e7k s LEU 85 Cb -0.09 1.21 0.31 0.00 0.02 0.00 0.00 46.19 47.64 2e7k s LEU 85 CO 0.28 -0.23 1.01 -0.44 0.02 0.00 0.00 176.35 176.99 2e7k s SER 86 N 2.40 0.34 0.23 2.29 0.01 -1.26 -2.77 113.70 114.93 2e7k s SER 86 Ca -0.02 1.04 -0.08 0.00 1.31 0.00 0.00 55.95 58.20 2e7k s SER 86 Cb -0.12 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.59 2e7k s SER 86 CO -0.12 -4.53 0.45 0.61 0.41 0.00 0.00 173.24 170.06 2e7k n GLY 87 N 0.46 1.52 3.67 3.44 0.00 -1.26 -4.89 105.19 108.13 2e7k n GLY 87 Ca 0.08 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2e7k n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7k s PRO 88 N -2.10 0.37 0.25 1.61 0.04 -1.26 -5.08 135.00 128.84 2e7k s PRO 88 Ca 0.10 0.51 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 2e7k s PRO 88 Cb -0.03 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.84 2e7k s PRO 88 CO 0.08 -2.77 0.88 -1.54 0.04 0.00 0.00 177.00 173.69 2e7k s SER 89 N -3.45 -0.10 0.19 6.66 1.04 -1.26 -5.17 113.70 111.61 2e7k s SER 89 Ca 0.65 -0.73 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 2e7k s SER 89 Cb -0.19 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.52 2e7k s SER 89 CO 0.58 -1.24 0.48 -0.94 0.98 0.00 0.00 173.24 173.09 2e7k s SER 90 N -3.08 6.58 0.00 7.02 1.04 -1.26 -5.37 113.70 118.63 2e7k s SER 90 Ca 0.15 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2e7k s SER 90 Cb -0.04 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2e7k s SER 90 CO 0.07 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.89