#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 6.65 -0.58 1.61 1.04 -1.26 -5.04 113.70 116.12 2e7k s SER 2 Ca 0.00 0.77 -0.19 0.00 0.48 0.00 0.00 55.95 57.00 2e7k s SER 2 Cb 0.00 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.96 2e7k s SER 2 CO 0.00 0.11 0.70 -0.55 0.98 0.00 0.00 173.24 174.48 2e7k s SER 3 N 0.15 6.19 0.00 7.02 0.15 -1.26 -4.92 113.70 121.03 2e7k s SER 3 Ca 0.23 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2e7k s SER 3 Cb -0.15 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2e7k s SER 3 CO 0.09 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.06 2e7k n GLY 4 N 5.26 3.85 0.94 9.45 0.00 -1.26 -5.06 105.19 118.38 2e7k n GLY 4 Ca -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 2e7k n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e7k n SER 5 N 0.00 0.62 -4.55 1.61 2.88 -1.26 -4.94 113.62 107.97 2e7k n SER 5 Ca 0.00 0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.32 2e7k n SER 5 Cb 0.00 -0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.21 2e7k n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e7k s SER 6 N -5.56 4.59 0.00 -3.46 0.01 -1.26 -4.62 113.70 103.40 2e7k s SER 6 Ca -0.03 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2e7k s SER 6 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2e7k s SER 6 CO 0.04 -2.97 0.00 0.61 0.41 0.00 0.00 173.24 171.34 2e7k n GLY 7 N 6.20 0.28 3.33 3.44 0.00 -1.26 -4.95 105.19 112.22 2e7k n GLY 7 Ca 0.35 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.49 -0.17 1.61 3.52 0.26 -4.92 118.95 119.74 2e7k s ARG 8 Ca 0.00 0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 56.25 2e7k s ARG 8 Cb 0.00 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2e7k s ARG 8 CO 0.00 -0.10 0.00 -1.64 -0.81 0.00 0.00 175.30 172.75 2e7k s MET 9 N 0.67 3.78 -0.18 5.12 -1.94 -1.26 -0.43 119.30 125.07 2e7k s MET 9 Ca -0.04 -0.45 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2e7k s MET 9 Cb -0.05 -3.03 0.02 0.00 2.01 0.00 0.00 34.83 33.77 2e7k s MET 9 CO -0.05 0.24 -0.19 0.08 -0.01 0.00 0.00 175.02 175.09 2e7k s VAL 10 N 0.40 2.14 -0.20 -6.03 1.01 -0.66 -4.92 120.40 112.13 2e7k s VAL 10 Ca -0.01 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2e7k s VAL 10 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2e7k s VAL 10 CO 0.02 0.54 0.40 -0.83 0.00 0.00 0.00 175.10 175.22 2e7k s GLY 11 N 1.22 2.11 -0.05 4.51 0.00 -1.26 -1.84 107.32 112.01 2e7k s GLY 11 Ca 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.28 2e7k s GLY 11 CO -0.11 0.79 -0.15 -0.42 0.00 0.00 0.00 173.10 173.22 2e7k s ILE 12 N 1.24 2.97 -0.38 0.90 1.01 0.50 -4.93 121.20 122.51 2e7k s ILE 12 Ca 0.19 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2e7k s ILE 12 Cb -0.15 -2.16 0.61 0.00 0.01 0.00 0.00 42.46 40.77 2e7k s ILE 12 CO 0.08 0.59 1.73 -2.11 0.00 0.00 0.00 174.94 175.22 2e7k n ARG 13 N 2.40 2.16 -0.62 2.79 0.00 -1.26 -0.84 116.66 121.29 2e7k n ARG 13 Ca -0.17 -3.09 -0.28 0.00 -0.00 0.00 0.00 57.85 54.31 2e7k n ARG 13 Cb 0.52 -2.03 0.25 0.00 -0.00 0.00 0.00 32.46 31.20 2e7k n ARG 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2e7k s LYS 14 N -3.26 -0.83 0.05 2.89 -2.85 -1.25 -4.77 119.74 109.72 2e7k s LYS 14 Ca 0.52 0.79 0.07 0.00 -1.00 0.00 0.00 55.97 56.35 2e7k s LYS 14 Cb 0.45 -1.57 -0.03 0.00 -2.06 0.00 0.00 37.83 34.62 2e7k s LYS 14 CO 0.06 -3.65 -0.21 0.99 0.10 0.00 0.00 175.35 172.65 2e7k s THR 15 N -2.52 1.66 -0.62 3.79 2.01 -1.26 -1.71 115.64 116.99 2e7k s THR 15 Ca 0.68 -1.24 -0.40 0.00 0.31 0.00 0.00 61.69 61.04 2e7k s THR 15 Cb -0.24 -1.45 -0.19 0.00 0.01 0.00 0.00 72.50 70.62 2e7k s THR 15 CO 0.64 0.17 2.28 0.00 -0.69 0.00 0.00 174.62 177.02 2e7k n ALA 16 N 1.75 0.28 0.00 7.40 0.00 -1.26 -2.99 120.51 125.69 2e7k n ALA 16 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2e7k n ALA 16 Cb 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 7.20 0.79 3.07 0.00 0.00 -1.19 -5.09 105.19 109.96 2e7k n GLY 17 Ca 0.57 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 2e7k n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7k s GLU 18 N 0.38 0.22 0.14 1.61 0.41 -1.16 -5.14 118.70 115.18 2e7k s GLU 18 Ca 0.00 0.42 0.05 0.00 -0.41 0.00 0.00 54.97 55.03 2e7k s GLU 18 Cb 0.00 -0.01 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 2e7k s GLU 18 CO 0.00 -0.10 0.11 -1.01 -0.49 0.00 0.00 175.26 173.77 2e7k s HIS 19 N 0.73 3.13 -0.02 1.61 3.76 -1.26 -4.14 115.29 119.10 2e7k s HIS 19 Ca -0.05 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2e7k s HIS 19 Cb -0.06 -1.53 -0.28 0.00 1.11 0.00 0.00 32.58 31.82 2e7k s HIS 19 CO -0.04 0.52 0.76 -0.07 -0.85 0.00 0.00 174.74 175.06 2e7k h LEU 20 N 2.65 0.41 -1.70 0.89 -0.00 -1.98 -3.40 115.31 112.18 2e7k h LEU 20 Ca -0.47 -0.62 0.00 0.00 -0.00 0.00 0.00 57.88 56.78 2e7k h LEU 20 Cb 1.19 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2e7k h LEU 20 CO 0.63 1.53 0.00 0.61 -0.00 0.00 0.00 178.44 181.21 2e7k n GLY 21 N 1.73 0.47 3.39 0.83 0.00 -1.26 -3.45 105.19 106.89 2e7k n GLY 21 Ca -0.19 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.74 0.32 -0.09 1.61 -7.23 -1.26 -1.16 120.40 109.83 2e7k s VAL 22 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2e7k s VAL 22 Cb 0.00 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2e7k s VAL 22 CO 0.00 0.00 0.13 0.42 -0.31 0.00 0.00 175.10 175.34 2e7k s THR 23 N -3.40 -0.20 0.11 5.32 -4.23 0.11 -4.98 115.64 108.37 2e7k s THR 23 Ca 0.32 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 2e7k s THR 23 Cb 0.03 -0.32 -0.05 0.00 1.34 0.00 0.00 72.50 73.50 2e7k s THR 23 CO 0.20 0.07 0.30 -0.36 -0.54 0.00 0.00 174.62 174.29 2e7k s PHE 24 N 2.24 3.50 -0.13 3.99 0.40 -1.26 0.13 117.98 126.84 2e7k s PHE 24 Ca 0.04 0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.77 2e7k s PHE 24 Cb -0.13 -1.87 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 2e7k s PHE 24 CO -0.06 0.50 -0.19 -0.98 0.70 0.00 0.00 175.22 175.19 2e7k s ARG 25 N -2.67 3.15 -0.57 0.44 1.70 0.93 -4.59 118.95 117.33 2e7k s ARG 25 Ca 0.38 -0.80 -0.24 0.00 -0.47 0.00 0.00 55.73 54.60 2e7k s ARG 25 Cb -0.12 -2.49 0.05 0.00 -0.57 0.00 0.00 34.95 31.81 2e7k s ARG 25 CO 0.27 0.08 0.94 0.54 -1.08 0.00 0.00 175.30 176.05 2e7k s VAL 26 N 0.62 4.38 -0.66 4.99 0.11 -1.26 -2.87 120.40 125.71 2e7k s VAL 26 Ca -0.10 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2e7k s VAL 26 Cb -0.16 -4.57 0.16 0.00 -1.53 0.00 0.00 36.38 30.29 2e7k s VAL 26 CO 0.03 -1.19 0.45 -1.61 -3.33 0.00 0.00 175.10 169.45 2e7k s GLU 27 N 3.95 2.46 0.03 1.54 2.02 -1.15 -4.96 118.70 122.59 2e7k s GLU 27 Ca 0.28 -2.93 0.00 0.00 0.02 0.00 0.00 54.97 52.34 2e7k s GLU 27 Cb -0.14 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.55 2e7k s GLU 27 CO 0.17 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.66 2e7k n GLY 28 N 2.72 0.77 1.61 -1.39 0.00 -1.26 -4.26 105.19 103.38 2e7k n GLY 28 Ca 0.13 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 1.06 3.26 -0.02 0.00 -1.26 -5.06 105.19 103.17 2e7k n GLY 29 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.33 0.86 -0.04 1.61 -1.05 -1.26 -4.92 118.70 113.57 2e7k s GLU 30 Ca 0.33 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 2e7k s GLU 30 Cb 0.38 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 34.41 2e7k s GLU 30 CO -0.16 -0.29 -0.00 -0.51 0.95 0.00 0.00 175.26 175.25 2e7k s LEU 31 N -2.29 3.52 -0.05 1.83 1.43 -1.26 -2.95 118.68 118.91 2e7k s LEU 31 Ca -0.02 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2e7k s LEU 31 Cb 0.00 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2e7k s LEU 31 CO -0.06 0.32 0.13 0.54 0.23 0.00 0.00 176.35 177.51 2e7k s VAL 32 N -1.00 -0.00 -0.44 -1.59 0.11 -1.14 -2.31 120.40 114.03 2e7k s VAL 32 Ca 0.17 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.96 2e7k s VAL 32 Cb -0.11 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 2e7k s VAL 32 CO 0.07 0.01 2.20 -0.63 -3.33 0.00 0.00 175.10 173.41 2e7k s ILE 33 N 0.15 3.13 0.01 7.04 1.01 -1.07 -0.05 121.20 131.41 2e7k s ILE 33 Ca -0.01 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 2e7k s ILE 33 Cb -0.02 -3.26 -0.20 0.00 0.01 0.00 0.00 42.46 38.99 2e7k s ILE 33 CO -0.00 -0.23 1.18 0.00 0.00 0.00 0.00 174.94 175.88 2e7k h ALA 34 N 17.05 0.13 -2.57 9.38 0.00 0.74 -2.56 119.26 141.42 2e7k h ALA 34 Ca -0.29 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.06 2e7k h ALA 34 Cb 1.23 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.83 2e7k h ALA 34 CO 1.12 0.19 -0.32 0.50 0.00 0.00 0.00 179.25 180.74 2e7k s ARG 35 N -3.61 0.69 -0.05 0.00 3.52 -0.80 -4.88 118.95 113.82 2e7k s ARG 35 Ca -0.14 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2e7k s ARG 35 Cb 0.04 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 2e7k s ARG 35 CO 0.78 -0.20 -0.09 0.42 -0.81 0.00 0.00 175.30 175.40 2e7k s ILE 36 N -1.95 0.85 -0.26 4.11 1.01 -1.26 -0.71 121.20 122.98 2e7k s ILE 36 Ca -0.09 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 2e7k s ILE 36 Cb -0.03 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 2e7k s ILE 36 CO 0.00 0.28 1.30 -0.76 0.00 0.00 0.00 174.94 175.76 2e7k s LEU 37 N 0.62 3.97 0.37 2.97 1.02 -0.31 -4.87 118.68 122.44 2e7k s LEU 37 Ca -0.11 1.36 0.30 0.00 0.02 0.00 0.00 54.13 55.70 2e7k s LEU 37 Cb -0.14 -3.54 1.21 0.00 0.02 0.00 0.00 46.19 43.74 2e7k s LEU 37 CO 0.02 -0.99 1.20 1.41 0.02 0.00 0.00 176.35 178.00 2e7k n HIS 38 N 7.35 0.36 -3.54 0.29 8.25 -1.26 -3.60 115.22 123.07 2e7k n HIS 38 Ca 0.15 0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 57.56 2e7k n HIS 38 Cb 0.46 -0.76 -0.11 0.00 1.12 0.00 0.00 29.99 30.70 2e7k n HIS 38 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2e7k s GLY 39 N -3.86 1.96 0.00 -1.41 0.00 -1.26 -4.68 107.32 98.07 2e7k s GLY 39 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.15 2e7k s GLY 39 CO 0.65 0.81 0.00 0.61 0.00 0.00 0.00 173.10 175.17 2e7k n GLY 40 N 5.09 0.72 0.00 0.20 0.00 -1.24 -4.81 105.19 105.16 2e7k n GLY 40 Ca -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.76 0.00 -0.54 1.61 0.00 -1.22 -1.17 117.12 115.03 2e7k n MET 41 Ca 0.00 0.48 0.45 0.00 -0.00 0.00 0.00 57.70 58.64 2e7k n MET 41 Cb 0.00 -1.34 0.73 0.00 0.00 0.00 0.00 33.22 32.62 2e7k n MET 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2e7k h VAL 42 N 0.00 0.06 0.48 1.12 3.04 -1.94 0.13 116.25 119.14 2e7k h VAL 42 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2e7k h VAL 42 Cb 0.00 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 2e7k h VAL 42 CO 0.00 0.00 -0.23 0.00 -1.01 0.00 0.00 177.57 176.33 2e7k h ALA 43 N 0.97 -0.66 -0.14 3.17 0.00 -1.65 0.11 119.26 121.07 2e7k h ALA 43 Ca 0.78 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.59 2e7k h ALA 43 Cb 3.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 21.39 2e7k h ALA 43 CO -0.01 -0.61 0.64 -0.56 0.00 0.00 0.00 179.25 178.72 2e7k h GLN 44 N -1.14 0.00 0.00 0.00 3.07 0.78 -1.36 115.11 116.46 2e7k h GLN 44 Ca -0.07 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.56 2e7k h GLN 44 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 2e7k h GLN 44 CO 0.11 0.00 -1.01 1.04 0.09 0.00 0.00 178.83 179.06 2e7k n GLN 45 N -2.89 0.51 0.00 0.06 6.02 -1.02 -4.99 117.38 115.06 2e7k n GLN 45 Ca 0.02 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2e7k n GLN 45 Cb 0.71 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.33 2e7k n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2e7k n GLY 46 N 1.50 2.88 0.34 1.08 0.00 0.39 -4.91 105.19 106.47 2e7k n GLY 46 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.86 -4.80 0.99 4.77 -1.26 -4.42 117.00 111.42 2e7k n LEU 47 Ca 0.00 1.60 -0.33 0.00 -0.03 0.00 0.00 56.01 57.24 2e7k n LEU 47 Cb 0.00 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2e7k n LEU 47 CO 0.00 -1.25 0.72 -0.76 -1.33 0.00 0.00 177.39 174.76 2e7k s LEU 48 N -9.69 3.67 0.34 2.23 1.43 -1.26 -5.06 118.68 110.33 2e7k s LEU 48 Ca -0.10 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.71 2e7k s LEU 48 Cb 0.09 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.80 2e7k s LEU 48 CO 0.50 -0.96 0.70 -1.38 0.23 0.00 0.00 176.35 175.44 2e7k s HIS 49 N -2.24 0.19 -0.09 0.29 -3.43 -1.26 -4.94 115.29 103.81 2e7k s HIS 49 Ca 0.65 -0.72 -0.29 0.00 -0.80 0.00 0.00 55.06 53.90 2e7k s HIS 49 Cb -0.16 0.62 -0.07 0.00 -1.43 0.00 0.00 32.58 31.54 2e7k s HIS 49 CO 0.29 -1.37 2.10 0.28 -2.00 0.00 0.00 174.74 174.04 2e7k n VAL 50 N -0.50 0.56 0.00 -5.38 0.31 -1.26 -2.84 118.33 109.22 2e7k n VAL 50 Ca -0.05 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2e7k n VAL 50 Cb 0.60 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 5.17 1.89 3.43 2.92 0.00 -0.96 -5.01 105.19 112.62 2e7k n GLY 51 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 2e7k n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e7k s ASP 52 N -2.00 5.31 0.04 1.61 1.01 -1.13 -4.89 116.67 116.63 2e7k s ASP 52 Ca 0.00 -0.43 -0.20 0.00 0.71 0.00 0.00 52.55 52.63 2e7k s ASP 52 Cb 0.00 -1.95 -0.06 0.00 1.01 0.00 0.00 42.92 41.92 2e7k s ASP 52 CO 0.00 -0.13 0.58 -0.63 0.21 0.00 0.00 175.17 175.20 2e7k s ILE 53 N 1.59 4.80 -0.17 0.77 1.09 -0.99 -2.60 121.20 125.69 2e7k s ILE 53 Ca 0.05 1.24 -0.07 0.00 -1.10 0.00 0.00 60.65 60.77 2e7k s ILE 53 Cb -0.16 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 2e7k s ILE 53 CO 0.05 0.50 0.06 -0.63 -0.10 0.00 0.00 174.94 174.81 2e7k s ILE 54 N -0.75 4.74 -0.08 2.92 1.09 -0.98 -0.54 121.20 127.61 2e7k s ILE 54 Ca 0.30 -0.05 -0.06 0.00 -1.10 0.00 0.00 60.65 59.73 2e7k s ILE 54 Cb -0.19 -3.13 -0.02 0.00 -1.06 0.00 0.00 42.46 38.06 2e7k s ILE 54 CO 0.18 0.48 -0.12 1.17 -0.10 0.00 0.00 174.94 176.55 2e7k n LYS 55 N 3.40 0.24 -4.17 2.79 3.00 -1.07 -4.49 118.16 117.85 2e7k n LYS 55 Ca -0.17 0.28 -0.11 0.00 -0.00 0.00 0.00 58.31 58.31 2e7k n LYS 55 Cb 0.52 -1.11 -0.10 0.00 0.00 0.00 0.00 35.03 34.34 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 -1.73 1.04 -0.07 1.64 2.12 -1.26 -4.42 118.70 116.01 2e7k s GLU 56 Ca -0.10 -1.52 -0.03 0.00 0.36 0.00 0.00 54.97 53.69 2e7k s GLU 56 Cb 0.01 0.23 0.04 0.00 0.26 0.00 0.00 34.13 34.68 2e7k s GLU 56 CO 0.15 -0.30 0.14 0.08 -0.54 0.00 0.00 175.26 174.78 2e7k s VAL 57 N -4.08 -0.22 -0.73 3.70 1.01 -0.49 -2.00 120.40 117.60 2e7k s VAL 57 Ca 0.30 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2e7k s VAL 57 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2e7k s VAL 57 CO 0.06 0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.89 2e7k n ASN 58 N 5.20 -3.01 -0.74 3.32 3.02 -1.20 0.31 115.26 122.16 2e7k n ASN 58 Ca -0.07 0.29 -0.04 0.00 -0.03 0.00 0.00 54.58 54.73 2e7k n ASN 58 Cb 0.50 -2.60 0.01 0.00 -0.61 0.00 0.00 39.78 37.08 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 -0.71 0.50 2.97 7.41 0.00 -1.26 -5.06 105.19 109.04 2e7k n GLY 59 Ca -0.10 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.76 0.19 0.09 1.61 -0.21 0.15 -5.14 119.66 111.59 2e7k s GLN 60 Ca 0.05 -0.17 -0.31 0.00 0.02 0.00 0.00 55.36 54.95 2e7k s GLN 60 Cb -0.02 0.08 -0.07 0.00 1.00 0.00 0.00 33.01 33.99 2e7k s GLN 60 CO 0.07 -0.03 1.38 -1.25 -2.12 0.00 0.00 175.29 173.33 2e7k s PRO 61 N -0.57 4.32 0.00 2.91 0.04 -1.26 -1.39 135.00 139.05 2e7k s PRO 61 Ca -0.06 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.28 2e7k s PRO 61 Cb -0.04 -3.31 1.19 0.00 0.04 0.00 0.00 34.50 32.38 2e7k s PRO 61 CO -0.00 -0.44 1.87 1.33 0.04 0.00 0.00 177.00 179.79 2e7k n VAL 62 N 4.06 0.17 -1.18 -0.36 0.24 -1.26 -4.95 118.33 115.04 2e7k n VAL 62 Ca 0.12 0.04 0.15 0.00 -2.04 0.00 0.00 64.34 62.61 2e7k n VAL 62 Cb 0.43 -0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.18 -2.55 2.09 7.63 0.00 -1.26 -4.28 105.19 108.00 2e7k n GLY 63 Ca 0.08 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2e7k n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e7k n SER 64 N -3.98 6.97 -3.77 1.61 7.64 -1.26 -4.73 113.62 116.09 2e7k n SER 64 Ca -0.03 -3.36 -0.24 0.00 1.01 0.00 0.00 58.87 56.25 2e7k n SER 64 Cb 0.55 -1.03 -0.17 0.00 -1.01 0.00 0.00 64.21 62.55 2e7k n SER 64 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2e7k s ASP 65 N -0.61 1.91 -0.01 6.43 1.01 -1.26 -4.85 116.67 119.29 2e7k s ASP 65 Ca 0.45 -0.26 -0.25 0.00 0.71 0.00 0.00 52.55 53.20 2e7k s ASP 65 Cb 0.35 -0.50 -0.19 0.00 1.01 0.00 0.00 42.92 43.59 2e7k s ASP 65 CO -0.02 -0.21 1.28 1.55 0.21 0.00 0.00 175.17 177.98 2e7k h PRO 66 N 8.30 0.07 -0.67 8.23 0.13 -1.88 -1.62 132.00 144.56 2e7k h PRO 66 Ca -0.20 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2e7k h PRO 66 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2e7k h PRO 66 CO 0.29 0.54 0.44 0.00 -0.23 0.00 0.00 178.00 179.04 2e7k h ARG 67 N -0.39 0.79 0.00 0.86 3.08 -1.96 -0.68 114.38 116.07 2e7k h ARG 67 Ca 0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2e7k h ARG 67 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2e7k h ARG 67 CO 0.01 0.52 -0.60 0.00 -1.07 0.00 0.00 179.97 178.83 2e7k h ALA 68 N 1.61 0.73 -0.02 0.04 0.00 -1.94 -3.24 119.26 116.44 2e7k h ALA 68 Ca 0.27 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2e7k h ALA 68 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2e7k h ALA 68 CO -0.07 0.75 -0.06 1.25 0.00 0.00 0.00 179.25 181.12 2e7k h LEU 69 N 0.00 0.08 -2.14 0.00 5.85 -0.19 -2.63 115.31 116.27 2e7k h LEU 69 Ca -0.01 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.06 2e7k h LEU 69 Cb 1.29 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2e7k h LEU 69 CO 0.08 0.72 0.11 1.56 -0.34 0.00 0.00 178.44 180.57 2e7k h GLN 70 N -0.55 0.00 0.00 1.25 4.20 -1.26 0.70 115.11 119.46 2e7k h GLN 70 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 2e7k h GLN 70 Cb 0.71 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.44 2e7k h GLN 70 CO 0.01 0.00 -1.71 -1.91 -0.67 0.00 0.00 178.83 174.55 2e7k n GLU 71 N -2.72 0.63 -0.23 1.46 2.13 -1.17 -3.83 120.64 116.92 2e7k n GLU 71 Ca -0.02 0.30 -0.06 0.00 0.66 0.00 0.00 57.16 58.04 2e7k n GLU 71 Cb 0.16 -1.79 0.04 0.00 0.27 0.00 0.00 31.44 30.12 2e7k n GLU 71 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2e7k h LEU 72 N 0.00 0.83 -0.05 4.31 8.10 -0.48 -2.99 115.31 125.03 2e7k h LEU 72 Ca -0.29 -0.11 -0.00 0.00 0.11 0.00 0.00 57.88 57.59 2e7k h LEU 72 Cb 2.01 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 42.02 2e7k h LEU 72 CO 0.08 0.70 0.02 -0.07 -4.11 0.00 0.00 178.44 175.06 2e7k h LEU 73 N 0.89 0.07 -0.81 0.17 3.38 -1.68 -2.82 115.31 114.51 2e7k h LEU 73 Ca 0.23 -0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.20 2e7k h LEU 73 Cb 0.07 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.65 2e7k h LEU 73 CO -0.03 0.21 -0.20 -1.14 0.09 0.00 0.00 178.44 177.36 2e7k n ARG 74 N -4.97 -0.07 -0.10 1.13 0.63 -1.13 0.13 116.66 112.28 2e7k n ARG 74 Ca -0.07 1.26 -0.12 0.00 -0.92 0.00 0.00 57.85 58.00 2e7k n ARG 74 Cb 0.11 -1.88 -0.04 0.00 0.45 0.00 0.00 32.46 31.10 2e7k n ARG 74 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2e7k h ASN 75 N 0.00 0.64 -1.37 6.15 2.35 -1.57 -3.16 115.58 118.62 2e7k h ASN 75 Ca 0.39 -0.42 -0.78 0.00 -0.55 0.00 0.00 56.30 54.95 2e7k h ASN 75 Cb 0.59 -0.18 0.02 0.00 0.05 0.00 0.00 38.32 38.80 2e7k h ASN 75 CO -0.83 0.92 0.74 0.00 -1.65 0.00 0.00 177.43 176.60 2e7k n ALA 76 N -2.44 -0.84 -2.48 -0.83 0.00 0.35 -4.65 120.51 109.61 2e7k n ALA 76 Ca -0.03 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 2e7k n ALA 76 Cb 0.38 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 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 2.81 2.95 0.73 0.00 0.15 -1.26 -4.50 113.70 114.58 2e7k s SER 77 Ca 0.98 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2e7k s SER 77 Cb -1.19 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 2e7k s SER 77 CO 0.68 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2e7k n GLY 78 N -0.70 0.42 3.56 9.45 0.00 -0.70 -4.37 105.19 112.85 2e7k n GLY 78 Ca -0.04 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 5.12 -0.05 1.61 0.01 -1.24 -3.81 113.70 111.35 2e7k s SER 79 Ca 0.00 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 2e7k s SER 79 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2e7k s SER 79 CO 0.00 -2.65 0.25 -0.69 0.41 0.00 0.00 173.24 170.56 2e7k s VAL 80 N 9.93 5.32 0.05 3.43 1.01 -0.02 -4.86 120.40 135.25 2e7k s VAL 80 Ca 0.71 0.35 0.03 0.00 0.00 0.00 0.00 61.98 63.07 2e7k s VAL 80 Cb -0.09 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2e7k s VAL 80 CO 0.09 0.52 0.01 -0.63 0.00 0.00 0.00 175.10 175.09 2e7k s ILE 81 N -1.13 4.16 -0.07 2.22 1.09 -1.26 -0.37 121.20 125.84 2e7k s ILE 81 Ca 0.21 -0.77 -0.03 0.00 -1.10 0.00 0.00 60.65 58.97 2e7k s ILE 81 Cb -0.14 -2.93 0.04 0.00 -1.06 0.00 0.00 42.46 38.37 2e7k s ILE 81 CO 0.10 0.24 0.06 -0.76 -0.10 0.00 0.00 174.94 174.49 2e7k s LEU 82 N -1.96 0.20 0.04 2.97 1.43 -0.76 -3.24 118.68 117.36 2e7k s LEU 82 Ca 0.23 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 2e7k s LEU 82 Cb -0.12 -0.17 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 2e7k s LEU 82 CO 0.15 -0.27 0.71 -0.75 0.23 0.00 0.00 176.35 176.42 2e7k s LYS 83 N 2.16 4.44 0.13 1.70 2.20 -0.85 -1.66 119.74 127.85 2e7k s LYS 83 Ca 0.04 0.96 0.05 0.00 -0.36 0.00 0.00 55.97 56.66 2e7k s LYS 83 Cb -0.13 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2e7k s LYS 83 CO -0.04 0.34 -0.12 0.42 -0.36 0.00 0.00 175.35 175.58 2e7k s ILE 84 N -0.21 1.25 0.01 5.43 -1.09 0.42 -2.58 121.20 124.42 2e7k s ILE 84 Ca 0.36 -1.80 -0.16 0.00 -2.23 0.00 0.00 60.65 56.81 2e7k s ILE 84 Cb -0.20 -1.59 0.03 0.00 -1.58 0.00 0.00 42.46 39.12 2e7k s ILE 84 CO 0.21 -0.52 0.35 -0.76 -1.23 0.00 0.00 174.94 173.00 2e7k s LEU 85 N -2.65 0.67 0.46 2.97 1.43 0.30 -0.58 118.68 121.28 2e7k s LEU 85 Ca 0.11 0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.37 2e7k s LEU 85 Cb -0.03 1.46 1.03 0.00 0.03 0.00 0.00 46.19 48.69 2e7k s LEU 85 CO 0.02 -0.53 2.09 -1.28 0.23 0.00 0.00 176.35 176.88 2e7k h SER 86 N 3.51 0.28 0.00 2.29 0.87 -1.90 -2.62 113.55 115.98 2e7k h SER 86 Ca -0.30 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2e7k h SER 86 Cb 1.18 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2e7k h SER 86 CO 0.42 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.53 2e7k n GLY 87 N -1.50 -0.98 0.00 5.77 0.00 -1.26 -4.48 105.19 102.73 2e7k n GLY 87 Ca 0.01 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 43.98 2e7k n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e7k n PRO 88 N 0.00 0.49 -2.33 1.61 -0.04 -1.26 -4.83 135.00 128.64 2e7k n PRO 88 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2e7k n PRO 88 Cb 0.00 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.09 2e7k n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2e7k n SER 89 N -0.90 -2.57 -4.06 3.54 7.64 -1.26 -5.07 113.62 110.94 2e7k n SER 89 Ca 0.09 -0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.60 2e7k n SER 89 Cb 0.04 -2.04 -0.10 0.00 -1.01 0.00 0.00 64.21 61.11 2e7k n SER 89 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e7k s SER 90 N -3.33 0.97 0.00 6.43 1.04 -1.26 -5.25 113.70 112.29 2e7k s SER 90 Ca 0.06 -1.49 0.24 0.00 0.48 0.00 0.00 55.95 55.24 2e7k s SER 90 Cb -0.01 0.36 0.22 0.00 0.10 0.00 0.00 66.02 66.70 2e7k s SER 90 CO 0.24 -0.86 1.28 0.61 0.98 0.00 0.00 173.24 175.49