#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7k s SER 2 N 0.00 -1.01 0.06 1.61 0.15 -1.26 -5.16 113.70 108.09 2e7k s SER 2 Ca 0.00 1.49 0.07 0.00 0.70 0.00 0.00 55.95 58.21 2e7k s SER 2 Cb 0.00 2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 66.38 2e7k s SER 2 CO 0.00 -0.22 -0.15 -0.44 1.20 0.00 0.00 173.24 173.63 2e7k s SER 3 N 2.75 4.06 -0.30 5.45 0.01 -1.26 -5.12 113.70 119.30 2e7k s SER 3 Ca -0.06 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 56.62 2e7k s SER 3 Cb -0.11 -0.71 0.20 0.00 0.21 0.00 0.00 66.02 65.60 2e7k s SER 3 CO -0.18 0.23 1.23 -0.83 0.41 0.00 0.00 173.24 174.10 2e7k s GLY 4 N -1.75 0.49 -0.34 3.44 0.00 -1.26 -5.12 107.32 102.79 2e7k s GLY 4 Ca 0.17 3.68 -0.29 0.00 0.00 0.00 0.00 44.72 48.28 2e7k s GLY 4 CO 0.08 2.64 1.23 -0.56 0.00 0.00 0.00 173.10 176.49 2e7k s SER 5 N 0.96 6.71 0.17 1.64 0.01 -1.26 -5.01 113.70 116.93 2e7k s SER 5 Ca -0.06 1.04 0.05 0.00 1.31 0.00 0.00 55.95 58.28 2e7k s SER 5 Cb -0.03 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2e7k s SER 5 CO -0.11 -1.08 -0.08 -0.94 0.41 0.00 0.00 173.24 171.44 2e7k s SER 6 N 2.53 1.89 0.00 2.44 1.04 -1.26 -5.14 113.70 115.20 2e7k s SER 6 Ca 0.53 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2e7k s SER 6 Cb -0.14 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2e7k s SER 6 CO 0.23 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2e7k n GLY 7 N -0.27 1.02 2.60 7.32 0.00 -1.26 -5.04 105.19 109.56 2e7k n GLY 7 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 0.65 0.14 -0.53 1.61 3.52 0.21 -4.85 118.95 119.70 2e7k s ARG 8 Ca 0.00 -0.25 -0.28 0.00 -0.13 0.00 0.00 55.73 55.07 2e7k s ARG 8 Cb 0.00 -1.43 0.03 0.00 -1.56 0.00 0.00 34.95 31.99 2e7k s ARG 8 CO 0.00 -0.84 1.14 -1.64 -0.81 0.00 0.00 175.30 173.16 2e7k s MET 9 N 2.15 3.59 -0.38 5.12 -1.94 -1.24 -1.76 119.30 124.84 2e7k s MET 9 Ca 0.06 0.34 -0.16 0.00 -1.71 0.00 0.00 55.69 54.21 2e7k s MET 9 Cb -0.16 -3.97 0.00 0.00 2.01 0.00 0.00 34.83 32.72 2e7k s MET 9 CO -0.22 -1.53 0.39 0.08 -0.01 0.00 0.00 175.02 173.73 2e7k s VAL 10 N 4.63 5.14 -0.18 -6.03 1.01 -0.61 -4.83 120.40 119.51 2e7k s VAL 10 Ca 0.44 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 2e7k s VAL 10 Cb -0.08 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2e7k s VAL 10 CO 0.28 -0.25 0.74 -0.83 0.00 0.00 0.00 175.10 175.03 2e7k s GLY 11 N 1.76 2.07 -0.04 4.51 0.00 -1.26 -2.95 107.32 111.42 2e7k s GLY 11 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 44.72 44.77 2e7k s GLY 11 CO 0.12 1.50 -0.18 -0.42 0.00 0.00 0.00 173.10 174.12 2e7k s ILE 12 N 2.04 1.49 -0.64 0.90 1.01 -0.85 -4.97 121.20 120.19 2e7k s ILE 12 Ca 0.34 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2e7k s ILE 12 Cb -0.16 -1.27 0.40 0.00 0.01 0.00 0.00 42.46 41.44 2e7k s ILE 12 CO 0.11 0.43 2.05 -1.14 0.00 0.00 0.00 174.94 176.39 2e7k n ARG 13 N 2.97 2.57 -2.44 2.79 0.63 -1.26 -2.37 116.66 119.55 2e7k n ARG 13 Ca -0.17 -3.06 -0.33 0.00 -0.92 0.00 0.00 57.85 53.36 2e7k n ARG 13 Cb 0.53 -2.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.22 2e7k n ARG 13 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2e7k s LYS 14 N -3.54 3.75 0.03 -0.14 -2.85 -1.26 -4.85 119.74 110.88 2e7k s LYS 14 Ca 0.59 1.26 0.02 0.00 -1.00 0.00 0.00 55.97 56.83 2e7k s LYS 14 Cb 0.46 -2.09 -0.04 0.00 -2.06 0.00 0.00 37.83 34.10 2e7k s LYS 14 CO -0.06 -0.46 0.04 0.99 0.10 0.00 0.00 175.35 175.96 2e7k s THR 15 N -2.18 4.35 0.33 3.79 2.01 -1.26 -2.61 115.64 120.06 2e7k s THR 15 Ca 0.65 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.75 2e7k s THR 15 Cb -0.15 -3.00 -0.14 0.00 0.01 0.00 0.00 72.50 69.22 2e7k s THR 15 CO 0.24 0.28 0.71 0.00 -0.69 0.00 0.00 174.62 175.16 2e7k n ALA 16 N 1.03 -1.33 0.00 7.40 0.00 -1.26 -2.88 120.51 123.48 2e7k n ALA 16 Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2e7k n ALA 16 Cb 0.52 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.62 2.08 3.71 0.00 0.00 -0.53 -5.01 105.19 107.06 2e7k n GLY 17 Ca 0.12 -0.63 -0.65 0.00 0.00 0.00 0.00 46.02 44.87 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 0.34 -3.03 1.61 -0.58 -1.14 -4.87 120.64 112.97 2e7k n GLU 18 Ca 0.00 0.12 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 2e7k n GLU 18 Cb 0.00 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.13 2e7k n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2e7k s HIS 19 N 3.35 3.26 0.17 -0.32 2.46 -1.26 -4.71 115.29 118.23 2e7k s HIS 19 Ca 1.04 0.83 -0.16 0.00 0.47 0.00 0.00 55.06 57.24 2e7k s HIS 19 Cb -1.37 -3.00 0.10 0.00 -0.13 0.00 0.00 32.58 28.18 2e7k s HIS 19 CO 0.76 -0.43 1.68 -0.07 -2.47 0.00 0.00 174.74 174.22 2e7k h LEU 20 N 9.15 -0.28 -0.96 8.88 4.07 -1.92 -3.45 115.31 130.80 2e7k h LEU 20 Ca -0.25 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2e7k h LEU 20 Cb 1.11 0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.06 2e7k h LEU 20 CO 0.82 -0.10 0.00 0.61 -1.08 0.00 0.00 178.44 178.70 2e7k n GLY 21 N -1.29 0.40 3.53 0.83 0.00 -1.26 -3.28 105.19 104.12 2e7k n GLY 21 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.71 0.01 -0.05 1.61 -7.23 -1.26 -0.50 120.40 111.26 2e7k s VAL 22 Ca 0.00 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2e7k s VAL 22 Cb 0.00 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.81 2e7k s VAL 22 CO 0.00 -0.03 0.06 0.42 -0.31 0.00 0.00 175.10 175.24 2e7k s THR 23 N -4.02 -0.10 0.18 5.32 -4.23 0.30 -4.92 115.64 108.17 2e7k s THR 23 Ca 0.23 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 2e7k s THR 23 Cb 0.00 -0.20 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 2e7k s THR 23 CO 0.08 0.14 0.30 -0.36 -0.54 0.00 0.00 174.62 174.24 2e7k s PHE 24 N 2.16 3.47 0.03 3.99 0.08 -1.26 0.18 117.98 126.63 2e7k s PHE 24 Ca 0.05 0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.19 2e7k s PHE 24 Cb -0.12 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.67 2e7k s PHE 24 CO -0.04 0.49 -0.07 -0.98 -0.10 0.00 0.00 175.22 174.53 2e7k s ARG 25 N -3.46 0.50 -0.27 0.44 1.70 0.24 -4.73 118.95 113.36 2e7k s ARG 25 Ca 0.34 -0.64 -0.16 0.00 -0.47 0.00 0.00 55.73 54.81 2e7k s ARG 25 Cb -0.10 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 33.94 2e7k s ARG 25 CO 0.29 0.06 0.41 0.08 -1.08 0.00 0.00 175.30 175.05 2e7k s VAL 26 N -1.14 5.15 0.00 4.99 1.01 -1.26 -1.60 120.40 127.55 2e7k s VAL 26 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2e7k s VAL 26 Cb -0.08 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2e7k s VAL 26 CO 0.00 0.13 0.00 -0.62 0.00 0.00 0.00 175.10 174.61 2e7k n GLU 27 N 5.39 0.00 -2.62 2.72 1.02 -1.18 -4.91 120.64 121.06 2e7k n GLU 27 Ca -0.07 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.87 2e7k n GLU 27 Cb 0.50 -0.23 0.01 0.00 -0.02 0.00 0.00 31.44 31.70 2e7k n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e7k n GLY 28 N 2.44 4.17 0.86 0.62 0.00 -1.26 -4.88 105.19 107.15 2e7k n GLY 28 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.26 0.97 3.78 -0.02 0.00 -1.26 -5.04 105.19 103.35 2e7k n GLY 29 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 2e7k n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7k s GLU 30 N -0.72 2.35 -0.17 1.61 0.41 -1.26 -4.81 118.70 116.11 2e7k s GLU 30 Ca 0.00 -1.69 -0.01 0.00 -0.41 0.00 0.00 54.97 52.86 2e7k s GLU 30 Cb 0.00 -2.14 -0.01 0.00 -1.78 0.00 0.00 34.13 30.21 2e7k s GLU 30 CO 0.00 -0.08 -0.12 -0.51 -0.49 0.00 0.00 175.26 174.06 2e7k s LEU 31 N -3.95 2.66 -0.07 1.80 1.43 -1.26 -3.08 118.68 116.21 2e7k s LEU 31 Ca 0.42 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2e7k s LEU 31 Cb 0.00 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2e7k s LEU 31 CO 0.24 0.08 -0.24 -0.69 0.23 0.00 0.00 176.35 175.97 2e7k s VAL 32 N 0.88 2.15 -0.77 -1.59 1.01 -0.63 -1.65 120.40 119.80 2e7k s VAL 32 Ca -0.03 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 2e7k s VAL 32 Cb -0.15 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 2e7k s VAL 32 CO -0.00 0.57 2.26 -0.63 0.00 0.00 0.00 175.10 177.29 2e7k s ILE 33 N -0.05 3.14 0.11 2.22 1.01 -1.11 -0.59 121.20 125.93 2e7k s ILE 33 Ca -0.07 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 2e7k s ILE 33 Cb -0.15 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 2e7k s ILE 33 CO 0.05 -0.31 1.64 0.00 0.00 0.00 0.00 174.94 176.32 2e7k h ALA 34 N 13.34 -0.38 -2.48 9.38 0.00 0.15 -3.14 119.26 136.13 2e7k h ALA 34 Ca -0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2e7k h ALA 34 Cb 1.05 0.40 -0.16 0.00 0.00 0.00 0.00 17.79 19.07 2e7k h ALA 34 CO 1.09 -0.77 -0.54 0.50 0.00 0.00 0.00 179.25 179.54 2e7k s ARG 35 N -6.07 0.65 -0.16 0.00 3.52 -0.97 -4.87 118.95 111.05 2e7k s ARG 35 Ca -0.15 -0.93 -0.00 0.00 -0.13 0.00 0.00 55.73 54.51 2e7k s ARG 35 Cb 0.08 0.25 0.04 0.00 -1.56 0.00 0.00 34.95 33.76 2e7k s ARG 35 CO 0.65 -0.16 -0.06 0.42 -0.81 0.00 0.00 175.30 175.34 2e7k s ILE 36 N -3.26 1.11 -0.67 4.11 1.01 -1.26 -0.54 121.20 121.70 2e7k s ILE 36 Ca 0.01 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 59.83 2e7k s ILE 36 Cb 0.03 -1.25 -0.12 0.00 0.01 0.00 0.00 42.46 41.12 2e7k s ILE 36 CO -0.08 0.18 2.42 0.18 0.00 0.00 0.00 174.94 177.65 2e7k n LEU 37 N 4.88 1.81 -4.28 2.97 7.99 0.35 -4.87 117.00 125.85 2e7k n LEU 37 Ca -0.12 -0.92 -0.40 0.00 -0.01 0.00 0.00 56.01 54.56 2e7k n LEU 37 Cb 0.48 -1.54 0.01 0.00 -0.11 0.00 0.00 43.42 42.26 2e7k n LEU 37 CO 0.17 -2.01 -0.53 1.57 -1.51 0.00 0.00 177.39 175.08 2e7k n HIS 38 N 16.45 -2.50 -2.64 -1.77 -0.00 -1.26 -3.99 115.22 119.51 2e7k n HIS 38 Ca 0.44 0.52 -0.07 0.00 -0.00 0.00 0.00 57.72 58.62 2e7k n HIS 38 Cb 0.45 -1.73 0.01 0.00 -0.00 0.00 0.00 29.99 28.71 2e7k n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2e7k n GLY 39 N 2.41 -1.22 0.00 1.57 0.00 -1.26 -5.02 105.19 101.67 2e7k n GLY 39 Ca 0.09 1.05 0.00 0.00 0.00 0.00 0.00 46.02 47.16 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 -0.34 1.56 0.40 -0.02 0.00 -1.26 -5.02 105.19 100.51 2e7k n GLY 40 Ca 0.10 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 2e7k n GLY 40 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2e7k n MET 41 N 0.00 0.25 -0.01 1.61 0.00 -1.21 -4.38 117.12 113.38 2e7k n MET 41 Ca 0.00 0.09 -0.17 0.00 -0.00 0.00 0.00 57.70 57.62 2e7k n MET 41 Cb 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 33.22 32.10 2e7k n MET 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2e7k h VAL 42 N -0.23 1.36 -0.70 1.12 2.07 -1.91 -2.47 116.25 115.49 2e7k h VAL 42 Ca -0.26 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.31 2e7k h VAL 42 Cb 1.30 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 2e7k h VAL 42 CO -0.11 0.59 0.46 0.00 0.02 0.00 0.00 177.57 178.52 2e7k h ALA 43 N 0.44 0.89 0.44 1.67 0.00 -1.85 -0.20 119.26 120.65 2e7k h ALA 43 Ca -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2e7k h ALA 43 Cb 1.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2e7k h ALA 43 CO 0.13 0.32 -0.21 1.96 0.00 0.00 0.00 179.25 181.44 2e7k h GLN 44 N 0.95 -0.57 -0.65 0.00 1.08 -1.76 -3.27 115.11 110.89 2e7k h GLN 44 Ca 0.26 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.63 2e7k h GLN 44 Cb -0.10 0.13 -0.12 0.00 -0.05 0.00 0.00 27.48 27.34 2e7k h GLN 44 CO -0.05 -0.38 -0.11 1.96 -0.95 0.00 0.00 178.83 179.30 2e7k h GLN 45 N -0.80 0.03 0.00 1.46 1.08 -1.45 -3.45 115.11 111.98 2e7k h GLN 45 Ca -0.06 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2e7k h GLN 45 Cb 0.46 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2e7k h GLN 45 CO 0.10 0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.41 2e7k n GLY 46 N -1.42 2.77 0.24 3.46 0.00 -0.09 -4.88 105.19 105.28 2e7k n GLY 46 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2e7k n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2e7k h LEU 47 N 0.00 0.18 -9.79 0.99 3.38 -1.88 -3.41 115.31 104.77 2e7k h LEU 47 Ca 0.00 0.10 -0.61 0.00 0.09 0.00 0.00 57.88 57.45 2e7k h LEU 47 Cb 0.00 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2e7k h LEU 47 CO 0.00 0.09 -0.55 -0.76 0.09 0.00 0.00 178.44 177.31 2e7k s LEU 48 N -10.45 4.05 0.23 1.67 1.43 -1.26 -5.11 118.68 109.23 2e7k s LEU 48 Ca -0.13 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.84 2e7k s LEU 48 Cb 0.18 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.76 2e7k s LEU 48 CO 0.75 0.14 0.75 -1.00 0.23 0.00 0.00 176.35 177.22 2e7k s HIS 49 N -1.52 -0.25 0.08 0.29 3.76 -1.26 -4.73 115.29 111.66 2e7k s HIS 49 Ca 0.32 -0.13 -0.37 0.00 -0.15 0.00 0.00 55.06 54.73 2e7k s HIS 49 Cb -0.12 0.66 -0.17 0.00 1.11 0.00 0.00 32.58 34.07 2e7k s HIS 49 CO 0.25 -1.07 1.33 0.28 -0.85 0.00 0.00 174.74 174.68 2e7k n VAL 50 N -0.44 0.00 0.00 -0.90 0.31 -1.26 -1.47 118.33 114.57 2e7k n VAL 50 Ca -0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2e7k n VAL 50 Cb 0.60 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 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 2.50 2.16 3.58 2.92 0.00 -1.18 -4.99 105.19 110.17 2e7k n GLY 51 Ca 0.18 -0.17 -0.49 0.00 0.00 0.00 0.00 46.02 45.55 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 0.10 1.29 -4.43 1.61 9.92 -0.54 -4.68 116.55 119.83 2e7k n ASP 52 Ca 0.00 1.14 -0.37 0.00 -0.53 0.00 0.00 54.79 55.03 2e7k n ASP 52 Cb 0.00 -1.21 -0.12 0.00 -0.64 0.00 0.00 41.12 39.15 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 -0.19 4.32 -0.28 0.53 1.01 -1.04 -2.77 121.20 122.78 2e7k s ILE 53 Ca 0.73 -0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.87 2e7k s ILE 53 Cb -0.86 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2e7k s ILE 53 CO 0.52 0.22 0.53 -0.63 0.00 0.00 0.00 174.94 175.58 2e7k s ILE 54 N 1.59 5.04 -0.15 2.92 1.09 -0.66 -1.05 121.20 129.99 2e7k s ILE 54 Ca 0.05 0.80 -0.12 0.00 -1.10 0.00 0.00 60.65 60.28 2e7k s ILE 54 Cb -0.16 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.33 2e7k s ILE 54 CO 0.04 0.01 -0.23 0.29 -0.10 0.00 0.00 174.94 174.95 2e7k n LYS 55 N 5.62 0.46 -4.29 2.79 4.76 -0.73 -4.01 118.16 122.76 2e7k n LYS 55 Ca -0.04 0.41 -0.15 0.00 -2.87 0.00 0.00 58.31 55.66 2e7k n LYS 55 Cb 0.49 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 2e7k n LYS 55 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2e7k s GLU 56 N -2.43 1.27 -0.09 1.97 -1.05 -1.26 -4.10 118.70 113.02 2e7k s GLU 56 Ca -0.19 -1.65 -0.02 0.00 -0.15 0.00 0.00 54.97 52.96 2e7k s GLU 56 Cb 0.03 -0.33 0.04 0.00 -0.44 0.00 0.00 34.13 33.42 2e7k s GLU 56 CO 0.28 -0.19 0.04 0.08 0.95 0.00 0.00 175.26 176.43 2e7k s VAL 57 N -3.65 0.15 -1.36 1.83 1.01 0.17 -1.38 120.40 117.19 2e7k s VAL 57 Ca 0.30 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2e7k s VAL 57 Cb 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2e7k s VAL 57 CO 0.08 0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.88 2e7k n ASN 58 N 5.21 -4.30 -0.06 3.32 3.02 -0.35 -0.59 115.26 121.51 2e7k n ASN 58 Ca -0.06 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2e7k n ASN 58 Cb 0.50 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 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 -0.68 0.59 3.07 7.41 0.00 -1.26 -5.02 105.19 109.29 2e7k n GLY 59 Ca -0.17 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.83 0.54 -0.12 1.61 -0.21 0.24 -5.12 119.66 112.77 2e7k s GLN 60 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 2e7k s GLN 60 Cb 0.00 0.18 -0.04 0.00 1.00 0.00 0.00 33.01 34.15 2e7k s GLN 60 CO 0.00 -0.09 1.54 -1.25 -2.12 0.00 0.00 175.29 173.36 2e7k s PRO 61 N -3.34 4.12 0.00 2.91 0.04 -1.26 -0.65 135.00 136.81 2e7k s PRO 61 Ca 0.02 1.93 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2e7k s PRO 61 Cb 0.04 -3.93 0.34 0.00 0.04 0.00 0.00 34.50 30.98 2e7k s PRO 61 CO -0.08 -0.90 1.17 1.33 0.04 0.00 0.00 177.00 178.56 2e7k n VAL 62 N 5.64 1.20 -2.31 -0.36 0.24 -1.26 -4.89 118.33 116.59 2e7k n VAL 62 Ca 0.17 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.77 2e7k n VAL 62 Cb 0.44 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 2e7k n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2e7k n GLY 63 N -0.71 -5.76 0.26 7.63 0.00 -1.26 -4.44 105.19 100.91 2e7k n GLY 63 Ca 0.03 0.02 0.25 0.00 0.00 0.00 0.00 46.02 46.32 2e7k n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e7k n SER 64 N 1.89 0.23 -4.57 1.61 2.88 -1.26 -4.15 113.62 110.25 2e7k n SER 64 Ca 0.00 1.16 -0.44 0.00 -1.33 0.00 0.00 58.87 58.26 2e7k n SER 64 Cb 0.00 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 2e7k n SER 64 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e7k n ASP 65 N -4.52 2.99 -0.10 -3.46 8.00 -1.26 -4.75 116.55 113.45 2e7k n ASP 65 Ca 0.28 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 2e7k n ASP 65 Cb 1.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 2e7k n ASP 65 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2e7k h PRO 66 N 14.76 0.79 0.00 -0.24 0.13 -1.87 -2.72 132.00 142.85 2e7k h PRO 66 Ca -0.37 -0.41 -0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2e7k h PRO 66 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2e7k h PRO 66 CO 0.98 1.04 -0.02 0.00 -0.23 0.00 0.00 178.00 179.77 2e7k h ARG 67 N 0.56 0.00 0.00 0.86 3.08 -1.88 -1.22 114.38 115.77 2e7k h ARG 67 Ca 0.05 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 2e7k h ARG 67 Cb 0.90 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2e7k h ARG 67 CO 0.08 0.02 -1.29 0.00 -1.07 0.00 0.00 179.97 177.71 2e7k h ALA 68 N 1.98 0.65 0.46 0.04 0.00 -1.87 -3.36 119.26 117.17 2e7k h ALA 68 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 2e7k h ALA 68 Cb 0.12 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2e7k h ALA 68 CO 0.00 1.05 -0.22 1.25 0.00 0.00 0.00 179.25 181.33 2e7k h LEU 69 N 0.00 -0.53 -1.34 0.00 5.85 -0.92 -2.63 115.31 115.74 2e7k h LEU 69 Ca -0.15 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.66 2e7k h LEU 69 Cb 1.66 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 2e7k h LEU 69 CO 0.06 -0.11 0.77 1.56 -0.34 0.00 0.00 178.44 180.39 2e7k h GLN 70 N -1.10 0.00 0.07 1.25 4.20 -1.67 1.19 115.11 119.05 2e7k h GLN 70 Ca -0.06 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.37 2e7k h GLN 70 Cb 0.54 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2e7k h GLN 70 CO 0.10 0.00 -1.42 1.49 -0.67 0.00 0.00 178.83 178.34 2e7k h GLU 71 N 0.00 0.14 -0.61 1.46 4.81 -1.68 -3.22 114.58 115.48 2e7k h GLU 71 Ca 0.22 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2e7k h GLU 71 Cb 1.77 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 31.21 2e7k h GLU 71 CO -0.00 0.97 0.28 1.37 -0.73 0.00 0.00 179.01 180.90 2e7k h LEU 72 N 0.04 0.81 -0.14 1.64 8.10 0.18 -2.99 115.31 122.95 2e7k h LEU 72 Ca -0.19 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 57.65 2e7k h LEU 72 Cb 1.95 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 41.95 2e7k h LEU 72 CO 0.14 0.72 0.04 -0.07 -4.11 0.00 0.00 178.44 175.16 2e7k h LEU 73 N 0.84 0.21 -0.78 0.17 3.38 -1.60 -1.36 115.31 116.17 2e7k h LEU 73 Ca 0.21 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2e7k h LEU 73 Cb 0.14 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.70 2e7k h LEU 73 CO -0.02 0.37 -0.39 -0.09 0.09 0.00 0.00 178.44 178.40 2e7k h ARG 74 N 0.03 -0.09 -0.32 1.13 2.43 -1.53 0.02 114.38 116.05 2e7k h ARG 74 Ca 0.04 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2e7k h ARG 74 Cb 0.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2e7k h ARG 74 CO -0.00 -0.06 -0.09 -2.95 -1.51 0.00 0.00 179.97 175.36 2e7k h ASN 75 N -0.10 0.63 -1.63 -3.80 7.08 -1.49 -1.42 115.58 114.85 2e7k h ASN 75 Ca 0.27 -0.37 -0.69 0.00 -3.08 0.00 0.00 56.30 52.42 2e7k h ASN 75 Cb 0.57 -0.17 0.05 0.00 -2.08 0.00 0.00 38.32 36.68 2e7k h ASN 75 CO -0.83 0.86 0.51 0.00 -2.08 0.00 0.00 177.43 175.90 2e7k n ALA 76 N -2.42 -0.94 -2.29 4.14 0.00 -0.01 -4.44 120.51 114.55 2e7k n ALA 76 Ca -0.03 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.76 2e7k n ALA 76 Cb 0.34 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 0.97 1.44 0.35 0.00 0.15 -1.26 -4.12 113.70 111.23 2e7k s SER 77 Ca 0.87 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2e7k s SER 77 Cb -0.98 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2e7k s SER 77 CO 0.50 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2e7k n GLY 78 N -0.35 -0.26 3.56 9.45 0.00 -1.07 -4.55 105.19 111.97 2e7k n GLY 78 Ca -0.05 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 2e7k n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7k s SER 79 N -4.00 4.48 -0.11 1.61 0.01 -1.26 -4.25 113.70 110.18 2e7k s SER 79 Ca 0.00 0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.39 2e7k s SER 79 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2e7k s SER 79 CO 0.00 -3.16 0.25 -0.69 0.41 0.00 0.00 173.24 170.04 2e7k s VAL 80 N 12.33 5.32 -0.04 3.43 1.01 -1.00 -4.94 120.40 136.51 2e7k s VAL 80 Ca 0.86 0.46 0.03 0.00 0.00 0.00 0.00 61.98 63.33 2e7k s VAL 80 Cb -0.13 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2e7k s VAL 80 CO 0.13 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 2e7k s ILE 81 N -0.42 3.15 -0.06 2.22 -1.09 -1.26 -2.01 121.20 121.73 2e7k s ILE 81 Ca 0.17 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2e7k s ILE 81 Cb -0.13 -2.25 0.03 0.00 -1.58 0.00 0.00 42.46 38.52 2e7k s ILE 81 CO 0.05 0.56 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.57 2e7k s LEU 82 N -0.83 0.74 -0.30 2.97 1.43 -1.15 -1.21 118.68 120.33 2e7k s LEU 82 Ca 0.12 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 52.92 2e7k s LEU 82 Cb -0.11 -0.39 -0.00 0.00 0.03 0.00 0.00 46.19 45.72 2e7k s LEU 82 CO 0.01 -0.16 0.78 -0.75 0.23 0.00 0.00 176.35 176.46 2e7k s LYS 83 N 1.70 3.97 0.17 1.70 2.20 -0.48 -1.58 119.74 127.42 2e7k s LYS 83 Ca 0.01 0.60 0.11 0.00 -0.36 0.00 0.00 55.97 56.32 2e7k s LYS 83 Cb -0.13 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2e7k s LYS 83 CO -0.04 -0.67 -0.23 0.42 -0.36 0.00 0.00 175.35 174.47 2e7k s ILE 84 N 2.94 2.42 -0.15 5.43 -1.09 -0.72 -1.78 121.20 128.26 2e7k s ILE 84 Ca 0.32 -1.88 -0.14 0.00 -2.23 0.00 0.00 60.65 56.72 2e7k s ILE 84 Cb -0.14 -2.13 0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2e7k s ILE 84 CO 0.12 -0.04 0.40 -0.76 -1.23 0.00 0.00 174.94 173.44 2e7k s LEU 85 N -2.45 0.47 1.08 2.97 1.43 -0.22 -0.62 118.68 121.34 2e7k s LEU 85 Ca 0.19 0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 2e7k s LEU 85 Cb -0.09 1.38 0.23 0.00 0.03 0.00 0.00 46.19 47.75 2e7k s LEU 85 CO 0.09 -0.15 1.10 -0.94 0.23 0.00 0.00 176.35 176.67 2e7k s SER 86 N 0.15 1.91 0.00 2.29 1.04 -1.26 -2.51 113.70 115.32 2e7k s SER 86 Ca -0.01 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2e7k s SER 86 Cb -0.03 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.59 2e7k s SER 86 CO 0.01 -3.55 0.00 0.61 0.98 0.00 0.00 173.24 171.29 2e7k n GLY 87 N -0.98 1.30 3.58 7.32 0.00 -1.26 -4.89 105.19 110.26 2e7k n GLY 87 Ca 0.08 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 0.58 3.06 0.13 1.61 0.04 -1.26 -4.99 135.00 134.17 2e7k s PRO 88 Ca 0.00 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 2e7k s PRO 88 Cb 0.00 -4.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.23 2e7k s PRO 88 CO 0.00 -2.20 0.40 -1.54 0.04 0.00 0.00 177.00 173.70 2e7k s SER 89 N 6.65 6.55 -0.02 6.66 1.04 -1.26 -5.10 113.70 128.22 2e7k s SER 89 Ca 0.72 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2e7k s SER 89 Cb -0.17 -2.13 0.03 0.00 0.10 0.00 0.00 66.02 63.85 2e7k s SER 89 CO 0.28 0.08 0.02 -0.44 0.98 0.00 0.00 173.24 174.16 2e7k s SER 90 N -2.21 0.15 0.00 7.02 0.01 -1.26 -5.25 113.70 112.16 2e7k s SER 90 Ca 0.39 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2e7k s SER 90 Cb -0.13 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2e7k s SER 90 CO 0.22 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.36