#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 1.94 0.15 1.61 0.01 -1.26 -5.04 113.70 111.11 2e7k s SER 2 Ca 0.00 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 56.69 2e7k s SER 2 Cb 0.00 -0.87 -0.00 0.00 0.21 0.00 0.00 66.02 65.35 2e7k s SER 2 CO 0.00 0.01 1.35 -1.20 0.41 0.00 0.00 173.24 173.81 2e7k n SER 3 N 4.00 -0.85 -4.54 2.44 7.64 -1.26 -4.51 113.62 116.55 2e7k n SER 3 Ca -0.21 1.55 -0.25 0.00 1.01 0.00 0.00 58.87 60.97 2e7k n SER 3 Cb 0.51 -0.23 0.13 0.00 -1.01 0.00 0.00 64.21 63.61 2e7k n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e7k s GLY 4 N -2.77 1.76 0.03 0.23 0.00 -1.26 -5.06 107.32 100.25 2e7k s GLY 4 Ca -0.11 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2e7k s GLY 4 CO 0.56 -0.98 0.00 -1.26 0.00 0.00 0.00 173.10 171.42 2e7k n SER 5 N -3.08 0.23 -4.27 1.64 2.88 -1.26 -4.99 113.62 104.77 2e7k n SER 5 Ca 0.15 0.04 -0.41 0.00 -1.33 0.00 0.00 58.87 57.33 2e7k n SER 5 Cb 0.60 -0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2e7k n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e7k s SER 6 N -5.21 5.70 0.00 -3.46 0.15 -1.26 -4.99 113.70 104.63 2e7k s SER 6 Ca 0.00 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.10 2e7k s SER 6 Cb 0.00 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2e7k s SER 6 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2e7k n GLY 7 N 4.95 1.17 2.75 9.45 0.00 -1.25 -4.80 105.19 117.45 2e7k n GLY 7 Ca -0.10 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.35 2e7k n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2e7k n ARG 8 N -0.74 3.70 -1.56 1.61 1.85 -1.16 -4.90 116.66 115.46 2e7k n ARG 8 Ca 0.00 -4.73 -0.63 0.00 -1.00 0.00 0.00 57.85 51.48 2e7k n ARG 8 Cb 0.00 -2.33 -0.10 0.00 -1.05 0.00 0.00 32.46 28.98 2e7k n ARG 8 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2e7k n MET 9 N 0.30 0.19 -4.38 2.89 2.81 -1.26 -4.55 117.12 113.12 2e7k n MET 9 Ca 0.33 0.06 -0.34 0.00 -1.81 0.00 0.00 57.70 55.95 2e7k n MET 9 Cb 0.36 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 31.11 2e7k n MET 9 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2e7k s VAL 10 N 4.28 3.24 -0.26 2.03 1.01 -1.08 -4.94 120.40 124.69 2e7k s VAL 10 Ca 1.09 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 2e7k s VAL 10 Cb -1.42 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2e7k s VAL 10 CO 0.73 0.48 0.33 -0.83 0.00 0.00 0.00 175.10 175.82 2e7k s GLY 11 N 0.80 1.92 -0.09 4.51 0.00 -1.26 -2.65 107.32 110.56 2e7k s GLY 11 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.87 2e7k s GLY 11 CO 0.01 0.87 -0.11 -0.42 0.00 0.00 0.00 173.10 173.44 2e7k s ILE 12 N 1.86 3.28 -0.74 0.90 1.09 -0.18 -4.92 121.20 122.48 2e7k s ILE 12 Ca 0.14 -0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 59.05 2e7k s ILE 12 Cb -0.16 -2.34 0.32 0.00 -1.06 0.00 0.00 42.46 39.23 2e7k s ILE 12 CO 0.09 0.56 2.14 0.54 -0.10 0.00 0.00 174.94 178.17 2e7k n ARG 13 N 2.81 2.66 -2.35 2.79 3.00 -1.26 -0.33 116.66 123.98 2e7k n ARG 13 Ca -0.18 -3.24 -0.32 0.00 -0.01 0.00 0.00 57.85 54.10 2e7k n ARG 13 Cb 0.53 -2.23 -0.03 0.00 0.00 0.00 0.00 32.46 30.72 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 -3.62 3.86 0.05 5.56 -2.85 -1.18 -4.80 119.74 116.76 2e7k s LYS 14 Ca 0.55 0.99 0.05 0.00 -1.00 0.00 0.00 55.97 56.56 2e7k s LYS 14 Cb 0.44 -2.12 -0.04 0.00 -2.06 0.00 0.00 37.83 34.05 2e7k s LYS 14 CO -0.30 -0.35 -0.10 0.99 0.10 0.00 0.00 175.35 175.69 2e7k s THR 15 N -2.60 3.38 -0.09 3.79 2.01 -1.26 -0.10 115.64 120.77 2e7k s THR 15 Ca 0.60 -1.04 -0.41 0.00 0.31 0.00 0.00 61.69 61.14 2e7k s THR 15 Cb -0.11 -2.51 -0.20 0.00 0.01 0.00 0.00 72.50 69.70 2e7k s THR 15 CO 0.32 0.27 1.20 0.00 -0.69 0.00 0.00 174.62 175.73 2e7k n ALA 16 N 1.21 -2.95 0.00 7.40 0.00 -1.26 -1.60 120.51 123.31 2e7k n ALA 16 Ca -0.15 0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2e7k n ALA 16 Cb 0.52 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 2.10 2.95 3.34 0.00 0.00 0.68 -5.03 105.19 109.23 2e7k n GLY 17 Ca 0.22 -0.78 -0.47 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -3.93 1.61 -0.58 -0.63 -4.90 120.64 112.20 2e7k n GLU 18 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2e7k n GLU 18 Cb 0.00 -0.98 -0.14 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.99 3.24 0.12 -0.32 2.46 -1.26 -4.51 115.29 114.02 2e7k s HIS 19 Ca 0.63 -1.88 -0.21 0.00 0.47 0.00 0.00 55.06 54.07 2e7k s HIS 19 Cb -0.91 -2.08 -0.07 0.00 -0.13 0.00 0.00 32.58 29.39 2e7k s HIS 19 CO 0.55 -0.80 1.72 -0.07 -2.47 0.00 0.00 174.74 173.67 2e7k h LEU 20 N 7.97 -0.10 -1.35 8.88 4.07 -1.93 -3.44 115.31 129.40 2e7k h LEU 20 Ca -0.22 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2e7k h LEU 20 Cb 1.06 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2e7k h LEU 20 CO 0.53 -0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.47 2e7k n GLY 21 N -1.16 0.21 3.22 0.83 0.00 -1.26 -3.82 105.19 103.21 2e7k n GLY 21 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.53 0.01 -0.15 1.61 -7.23 -1.26 -1.54 120.40 110.31 2e7k s VAL 22 Ca 0.00 -0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 60.12 2e7k s VAL 22 Cb 0.00 -0.48 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 2e7k s VAL 22 CO 0.00 -0.03 -0.13 0.42 -0.31 0.00 0.00 175.10 175.05 2e7k s THR 23 N 0.02 2.93 0.24 5.32 -4.23 0.28 -4.85 115.64 115.36 2e7k s THR 23 Ca -0.01 -0.69 0.07 0.00 -1.18 0.00 0.00 61.69 59.88 2e7k s THR 23 Cb -0.03 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 2e7k s THR 23 CO 0.01 0.51 0.17 -0.36 -0.54 0.00 0.00 174.62 174.41 2e7k s PHE 24 N 0.64 3.08 0.14 3.99 0.40 -1.26 0.12 117.98 125.08 2e7k s PHE 24 Ca -0.07 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.22 2e7k s PHE 24 Cb -0.16 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2e7k s PHE 24 CO 0.03 0.53 -0.17 -0.98 0.70 0.00 0.00 175.22 175.33 2e7k s ARG 25 N -3.75 1.13 -0.43 0.44 1.70 -0.43 -4.70 118.95 112.91 2e7k s ARG 25 Ca 0.32 -1.29 -0.15 0.00 -0.47 0.00 0.00 55.73 54.15 2e7k s ARG 25 Cb -0.08 -1.15 0.04 0.00 -0.57 0.00 0.00 34.95 33.19 2e7k s ARG 25 CO 0.24 0.23 0.34 0.08 -1.08 0.00 0.00 175.30 175.11 2e7k s VAL 26 N -1.93 5.25 -0.26 4.99 1.01 -1.26 -2.71 120.40 125.49 2e7k s VAL 26 Ca 0.11 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2e7k s VAL 26 Cb -0.06 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.45 2e7k s VAL 26 CO 0.05 -0.41 0.34 -1.83 0.00 0.00 0.00 175.10 173.25 2e7k s GLU 27 N 1.68 0.33 0.00 2.72 4.04 -1.11 -4.90 118.70 121.45 2e7k s GLU 27 Ca 0.05 0.25 0.00 0.00 0.04 0.00 0.00 54.97 55.31 2e7k s GLU 27 Cb -0.21 -0.61 0.00 0.00 0.02 0.00 0.00 34.13 33.33 2e7k s GLU 27 CO 0.09 -0.81 0.00 0.41 -1.84 0.00 0.00 175.26 173.11 2e7k n GLY 28 N 5.34 0.96 2.43 -3.83 0.00 -1.26 -3.97 105.19 104.86 2e7k n GLY 28 Ca -0.03 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.67 -0.50 3.15 -0.02 0.00 -1.26 -4.97 105.19 100.92 2e7k n GLY 29 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.07 0.73 -0.18 1.61 -1.05 -1.25 -4.95 118.70 108.53 2e7k s GLU 30 Ca 0.01 -1.06 -0.05 0.00 -0.15 0.00 0.00 54.97 53.72 2e7k s GLU 30 Cb -0.00 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 2e7k s GLU 30 CO 0.01 -0.19 -0.01 -0.51 0.95 0.00 0.00 175.26 175.51 2e7k s LEU 31 N -2.85 3.25 -0.03 1.83 1.43 -1.26 -2.76 118.68 118.28 2e7k s LEU 31 Ca 0.05 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2e7k s LEU 31 Cb 0.06 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2e7k s LEU 31 CO -0.10 0.10 -0.12 0.54 0.23 0.00 0.00 176.35 177.00 2e7k s VAL 32 N 0.77 1.04 -0.60 -1.59 0.11 -1.10 -2.42 120.40 116.61 2e7k s VAL 32 Ca -0.00 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.28 2e7k s VAL 32 Cb -0.14 -0.91 -0.10 0.00 -1.53 0.00 0.00 36.38 33.70 2e7k s VAL 32 CO 0.02 0.31 2.43 -0.38 -3.33 0.00 0.00 175.10 174.15 2e7k n ILE 33 N 3.23 -0.06 -0.11 7.04 5.41 -1.08 -1.31 119.36 132.46 2e7k n ILE 33 Ca -0.18 -0.68 -0.11 0.00 1.00 0.00 0.00 62.75 62.78 2e7k n ILE 33 Cb 0.54 -2.43 -0.03 0.00 -0.71 0.00 0.00 39.64 37.02 2e7k n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2e7k h ALA 34 N 17.46 0.45 -2.52 -1.39 0.00 0.58 -2.89 119.26 130.95 2e7k h ALA 34 Ca -0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2e7k h ALA 34 Cb 1.21 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 2e7k h ALA 34 CO 1.15 0.22 -0.16 0.50 0.00 0.00 0.00 179.25 180.96 2e7k s ARG 35 N -4.97 0.86 -0.24 0.00 3.52 -0.80 -4.89 118.95 112.43 2e7k s ARG 35 Ca -0.13 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2e7k s ARG 35 Cb 0.09 0.38 0.06 0.00 -1.56 0.00 0.00 34.95 33.92 2e7k s ARG 35 CO 0.78 -0.28 -0.06 0.42 -0.81 0.00 0.00 175.30 175.34 2e7k s ILE 36 N -2.37 1.62 -0.56 4.11 1.01 -1.26 -0.55 121.20 123.20 2e7k s ILE 36 Ca -0.06 -1.30 -0.34 0.00 0.00 0.00 0.00 60.65 58.96 2e7k s ILE 36 Cb -0.01 -1.88 -0.14 0.00 0.01 0.00 0.00 42.46 40.44 2e7k s ILE 36 CO -0.02 -0.10 2.36 0.18 0.00 0.00 0.00 174.94 177.35 2e7k n LEU 37 N 4.63 1.51 -3.86 2.97 4.32 -0.59 -4.82 117.00 121.16 2e7k n LEU 37 Ca -0.12 0.22 -0.35 0.00 -0.02 0.00 0.00 56.01 55.73 2e7k n LEU 37 Cb 0.44 -1.19 0.02 0.00 -1.62 0.00 0.00 43.42 41.07 2e7k n LEU 37 CO 0.18 -0.89 -0.83 1.57 -1.22 0.00 0.00 177.39 176.20 2e7k n HIS 38 N 10.84 -3.48 -2.79 -1.77 -0.00 -1.26 -4.16 115.22 112.60 2e7k n HIS 38 Ca 0.49 0.26 -0.00 0.00 -0.00 0.00 0.00 57.72 58.46 2e7k n HIS 38 Cb 0.20 -1.48 -0.00 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 2.66 -3.74 0.00 1.57 0.00 -1.26 -5.00 105.19 99.42 2e7k n GLY 39 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.82 -1.37 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.40 2e7k n GLY 40 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.12 0.00 0.24 1.61 0.00 -1.25 -0.39 117.12 117.20 2e7k n MET 41 Ca 0.00 0.78 -0.15 0.00 -0.00 0.00 0.00 57.70 58.33 2e7k n MET 41 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 33.22 31.65 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 0.00 0.46 -0.97 1.12 2.07 -1.84 0.16 116.25 117.25 2e7k h VAL 42 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 2e7k h VAL 42 Cb 0.00 0.46 -0.18 0.00 -1.52 0.00 0.00 31.29 30.05 2e7k h VAL 42 CO 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.39 2e7k h ALA 43 N -0.06 0.72 -0.13 1.67 0.00 -1.81 0.34 119.26 120.00 2e7k h ALA 43 Ca -0.04 0.37 -0.23 0.00 0.00 0.00 0.00 54.91 55.01 2e7k h ALA 43 Cb 0.52 0.72 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2e7k h ALA 43 CO 0.03 -0.41 -0.83 1.96 0.00 0.00 0.00 179.25 180.00 2e7k h GLN 44 N 0.00 0.78 -6.22 0.00 1.08 -0.46 -3.41 115.11 106.88 2e7k h GLN 44 Ca 0.49 -0.68 -0.57 0.00 -1.45 0.00 0.00 58.65 56.44 2e7k h GLN 44 Cb 0.79 0.15 -0.09 0.00 -0.05 0.00 0.00 27.48 28.28 2e7k h GLN 44 CO -0.99 1.27 0.85 -0.65 -0.95 0.00 0.00 178.83 178.37 2e7k s GLN 45 N -3.67 3.34 0.64 1.46 -0.21 0.12 -4.87 119.66 116.47 2e7k s GLN 45 Ca -0.10 -0.12 0.37 0.00 0.02 0.00 0.00 55.36 55.53 2e7k s GLN 45 Cb 0.08 -4.09 2.10 0.00 1.00 0.00 0.00 33.01 32.10 2e7k s GLN 45 CO 0.91 -1.78 2.25 0.78 -2.12 0.00 0.00 175.29 175.34 2e7k h GLY 46 N 11.93 0.00 -0.95 3.09 0.00 -1.80 -2.94 103.07 112.40 2e7k h GLY 46 Ca -0.26 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.30 2e7k h GLY 46 CO 1.19 0.00 -0.06 1.04 0.00 0.00 0.00 176.54 178.71 2e7k n LEU 47 N -3.32 -0.18 -4.62 3.11 4.77 -1.26 -4.29 117.00 111.21 2e7k n LEU 47 Ca -0.02 1.61 -0.32 0.00 -0.03 0.00 0.00 56.01 57.25 2e7k n LEU 47 Cb 0.15 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 2e7k n LEU 47 CO 0.22 -1.61 -0.37 -0.76 -1.33 0.00 0.00 177.39 173.54 2e7k s LEU 48 N -10.89 3.26 0.26 2.23 1.43 -1.11 -5.12 118.68 108.74 2e7k s LEU 48 Ca -0.13 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2e7k s LEU 48 Cb 0.27 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2e7k s LEU 48 CO 0.74 0.26 0.64 -1.00 0.23 0.00 0.00 176.35 177.22 2e7k s HIS 49 N -1.07 -0.08 -0.36 0.29 3.76 -1.26 -4.79 115.29 111.78 2e7k s HIS 49 Ca 0.19 -0.34 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 2e7k s HIS 49 Cb -0.11 0.56 -0.09 0.00 1.11 0.00 0.00 32.58 34.05 2e7k s HIS 49 CO 0.10 -1.14 2.27 0.28 -0.85 0.00 0.00 174.74 175.40 2e7k n VAL 50 N -0.43 0.18 0.00 -0.90 0.31 -1.26 -2.65 118.33 113.58 2e7k n VAL 50 Ca -0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2e7k n VAL 50 Cb 0.60 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 6.19 1.55 3.46 2.92 0.00 -1.09 -5.01 105.19 113.21 2e7k n GLY 51 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.55 4.96 -0.21 1.61 1.01 -1.08 -4.83 116.67 116.57 2e7k s ASP 52 Ca 0.00 -0.18 -0.14 0.00 0.71 0.00 0.00 52.55 52.94 2e7k s ASP 52 Cb 0.00 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 2e7k s ASP 52 CO 0.00 0.05 0.32 -0.63 0.21 0.00 0.00 175.17 175.13 2e7k s ILE 53 N 1.06 5.25 -0.10 0.77 1.01 -1.04 -2.64 121.20 125.52 2e7k s ILE 53 Ca 0.03 0.54 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 2e7k s ILE 53 Cb -0.14 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2e7k s ILE 53 CO 0.02 0.28 0.24 -0.63 0.00 0.00 0.00 174.94 174.85 2e7k s ILE 54 N 1.24 5.33 -0.12 2.92 1.01 -1.01 0.42 121.20 130.99 2e7k s ILE 54 Ca 0.15 0.44 -0.10 0.00 0.00 0.00 0.00 60.65 61.14 2e7k s ILE 54 Cb -0.14 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2e7k s ILE 54 CO 0.07 0.56 -0.23 0.29 0.00 0.00 0.00 174.94 175.63 2e7k n LYS 55 N 2.30 0.35 -3.92 2.79 4.76 -0.64 -4.50 118.16 119.29 2e7k n LYS 55 Ca -0.17 0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 2e7k n LYS 55 Cb 0.54 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.52 2e7k n LYS 55 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2e7k s GLU 56 N -2.48 0.42 -0.16 1.97 2.56 -1.26 -4.30 118.70 115.45 2e7k s GLU 56 Ca -0.21 -0.52 -0.01 0.00 0.00 0.00 0.00 54.97 54.23 2e7k s GLU 56 Cb 0.05 0.16 0.05 0.00 2.00 0.00 0.00 34.13 36.39 2e7k s GLU 56 CO 0.29 -0.09 -0.02 0.08 -0.56 0.00 0.00 175.26 174.96 2e7k s VAL 57 N -1.51 0.89 -1.59 3.70 1.01 -0.48 -1.27 120.40 121.15 2e7k s VAL 57 Ca -0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2e7k s VAL 57 Cb -0.08 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.16 2e7k s VAL 57 CO 0.00 0.05 0.53 0.59 0.00 0.00 0.00 175.10 176.27 2e7k n ASN 58 N 4.94 -6.10 -1.30 3.32 3.02 -0.90 -1.68 115.26 116.56 2e7k n ASN 58 Ca -0.10 -0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.09 2e7k n ASN 58 Cb 0.48 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.70 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 -1.46 -0.00 2.94 7.41 0.00 -1.26 -5.03 105.19 107.79 2e7k n GLY 59 Ca -0.13 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.69 0.26 0.05 1.61 -1.52 -0.68 -5.13 119.66 109.56 2e7k s GLN 60 Ca 0.05 -0.26 -0.31 0.00 -1.95 0.00 0.00 55.36 52.89 2e7k s GLN 60 Cb -0.02 -0.15 -0.07 0.00 -0.22 0.00 0.00 33.01 32.55 2e7k s GLN 60 CO 0.06 0.03 1.41 -1.25 -0.25 0.00 0.00 175.29 175.29 2e7k s PRO 61 N -0.49 4.30 0.14 2.91 0.04 -1.26 -1.38 135.00 139.25 2e7k s PRO 61 Ca -0.03 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 2e7k s PRO 61 Cb -0.04 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 2e7k s PRO 61 CO -0.00 -0.52 1.36 -0.39 0.04 0.00 0.00 177.00 177.49 2e7k h VAL 62 N 4.63 1.34 0.00 -0.36 -1.51 -1.93 -3.48 116.25 114.93 2e7k h VAL 62 Ca -0.40 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 62.96 2e7k h VAL 62 Cb 1.19 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 2e7k h VAL 62 CO 0.89 0.65 0.00 0.61 -1.23 0.00 0.00 177.57 178.48 2e7k n GLY 63 N 0.67 -0.76 1.83 5.19 0.00 -1.26 -4.53 105.19 106.34 2e7k n GLY 63 Ca -0.06 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.46 6.27 -3.81 1.61 3.41 -1.26 -4.76 113.62 113.62 2e7k n SER 64 Ca 0.00 -2.96 -0.29 0.00 -0.26 0.00 0.00 58.87 55.36 2e7k n SER 64 Cb 0.00 -1.06 -0.16 0.00 -0.26 0.00 0.00 64.21 62.72 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 0.45 3.25 -0.01 4.04 1.01 -1.26 -4.94 116.67 119.21 2e7k s ASP 65 Ca 0.26 -0.96 -0.25 0.00 0.71 0.00 0.00 52.55 52.32 2e7k s ASP 65 Cb 0.21 -0.80 -0.19 0.00 1.01 0.00 0.00 42.92 43.14 2e7k s ASP 65 CO -0.00 -0.28 1.28 1.55 0.21 0.00 0.00 175.17 177.92 2e7k h PRO 66 N 8.14 0.07 0.00 8.23 0.13 -1.86 -1.42 132.00 145.29 2e7k h PRO 66 Ca -0.17 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 2e7k h PRO 66 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2e7k h PRO 66 CO 0.36 0.53 -0.08 0.00 -0.23 0.00 0.00 178.00 178.59 2e7k h ARG 67 N -0.40 0.00 0.00 0.86 3.08 -1.96 -1.66 114.38 114.30 2e7k h ARG 67 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 2e7k h ARG 67 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2e7k h ARG 67 CO 0.01 0.08 -1.09 0.00 -1.07 0.00 0.00 179.97 177.90 2e7k h ALA 68 N 1.92 0.52 0.42 0.04 0.00 -1.95 -3.33 119.26 116.88 2e7k h ALA 68 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 2e7k h ALA 68 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2e7k h ALA 68 CO 0.01 1.18 -0.20 1.25 0.00 0.00 0.00 179.25 181.49 2e7k h LEU 69 N 0.00 -0.47 -1.38 0.00 5.85 -0.35 -2.73 115.31 116.23 2e7k h LEU 69 Ca -0.08 -0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.73 2e7k h LEU 69 Cb 1.74 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 2e7k h LEU 69 CO 0.10 -0.04 0.79 1.56 -0.34 0.00 0.00 178.44 180.51 2e7k h GLN 70 N -1.07 0.00 0.11 1.25 4.20 -1.57 1.07 115.11 119.10 2e7k h GLN 70 Ca -0.06 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.36 2e7k h GLN 70 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2e7k h GLN 70 CO 0.09 0.00 -1.41 1.49 -0.67 0.00 0.00 178.83 178.33 2e7k h GLU 71 N 0.00 0.23 -0.74 1.46 4.22 -1.65 -3.19 114.58 114.92 2e7k h GLU 71 Ca 0.25 -0.40 0.05 0.00 0.08 0.00 0.00 59.36 59.34 2e7k h GLU 71 Cb 1.82 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.17 2e7k h GLU 71 CO -0.00 1.12 0.44 1.37 -2.18 0.00 0.00 179.01 179.76 2e7k h LEU 72 N 0.06 0.69 -0.01 1.64 8.10 0.15 -2.76 115.31 123.18 2e7k h LEU 72 Ca -0.19 0.02 -0.00 0.00 0.11 0.00 0.00 57.88 57.81 2e7k h LEU 72 Cb 1.99 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 42.08 2e7k h LEU 72 CO 0.17 0.45 -0.00 -0.07 -4.11 0.00 0.00 178.44 174.88 2e7k h LEU 73 N 0.82 0.01 -1.04 0.17 3.38 -1.63 -2.44 115.31 114.59 2e7k h LEU 73 Ca 0.32 -0.37 0.38 0.00 0.09 0.00 0.00 57.88 58.31 2e7k h LEU 73 Cb 0.15 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.76 2e7k h LEU 73 CO -0.16 0.38 0.64 -1.14 0.09 0.00 0.00 178.44 178.24 2e7k n ARG 74 N -4.90 -0.04 0.03 1.13 0.63 -1.05 0.13 116.66 112.60 2e7k n ARG 74 Ca -0.08 1.08 -0.22 0.00 -0.92 0.00 0.00 57.85 57.71 2e7k n ARG 74 Cb 0.20 -2.05 -0.14 0.00 0.45 0.00 0.00 32.46 30.91 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 0.46 -1.68 6.15 2.35 -1.51 0.19 115.58 121.55 2e7k h ASN 75 Ca 0.72 -0.89 -0.70 0.00 -0.55 0.00 0.00 56.30 54.88 2e7k h ASN 75 Cb 2.19 -0.15 0.02 0.00 0.05 0.00 0.00 38.32 40.43 2e7k h ASN 75 CO -0.47 1.68 0.89 0.00 -1.65 0.00 0.00 177.43 177.88 2e7k n ALA 76 N -2.93 -0.02 -2.56 -0.83 0.00 0.36 -4.36 120.51 110.17 2e7k n ALA 76 Ca -0.25 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 2e7k n ALA 76 Cb 0.96 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 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 3.23 3.80 0.24 0.00 0.15 -1.26 -4.22 113.70 115.64 2e7k s SER 77 Ca 0.95 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2e7k s SER 77 Cb -0.97 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2e7k s SER 77 CO 0.60 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2e7k n GLY 78 N -0.86 -0.56 3.55 9.45 0.00 0.86 -4.55 105.19 113.09 2e7k n GLY 78 Ca -0.05 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 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 5.79 -0.03 1.61 0.01 -1.25 -3.09 113.70 112.74 2e7k s SER 79 Ca 0.00 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 2e7k s SER 79 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 2e7k s SER 79 CO 0.00 -2.09 0.43 -0.69 0.41 0.00 0.00 173.24 171.30 2e7k s VAL 80 N 7.30 5.05 -0.10 3.43 1.01 0.55 -4.86 120.40 132.79 2e7k s VAL 80 Ca 0.53 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 2e7k s VAL 80 Cb -0.08 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2e7k s VAL 80 CO 0.09 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 175.04 2e7k s ILE 81 N -0.66 3.95 -0.11 2.22 1.09 -1.26 -1.01 121.20 125.42 2e7k s ILE 81 Ca 0.24 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 2e7k s ILE 81 Cb -0.16 -2.67 0.02 0.00 -1.06 0.00 0.00 42.46 38.59 2e7k s ILE 81 CO 0.13 0.57 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.69 2e7k s LEU 82 N -0.46 1.30 -0.36 2.97 1.43 -1.08 -2.12 118.68 120.36 2e7k s LEU 82 Ca 0.07 -0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2e7k s LEU 82 Cb -0.12 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 45.24 2e7k s LEU 82 CO 0.02 -0.09 0.77 -0.75 0.23 0.00 0.00 176.35 176.53 2e7k s LYS 83 N 1.53 3.77 0.22 1.70 2.20 -0.40 -2.62 119.74 126.15 2e7k s LYS 83 Ca 0.02 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 56.02 2e7k s LYS 83 Cb -0.13 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 2e7k s LYS 83 CO -0.07 -0.82 0.15 0.42 -0.36 0.00 0.00 175.35 174.67 2e7k s ILE 84 N 3.06 4.31 0.07 5.43 -1.09 -1.26 -1.62 121.20 130.10 2e7k s ILE 84 Ca 0.31 -1.36 -0.10 0.00 -2.23 0.00 0.00 60.65 57.28 2e7k s ILE 84 Cb -0.13 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2e7k s ILE 84 CO 0.16 -0.26 0.21 -0.76 -1.23 0.00 0.00 174.94 173.06 2e7k s LEU 85 N -3.54 1.32 0.49 2.97 1.02 0.17 -2.97 118.68 118.13 2e7k s LEU 85 Ca 0.32 -0.53 0.01 0.00 0.02 0.00 0.00 54.13 53.95 2e7k s LEU 85 Cb -0.08 1.08 0.01 0.00 0.02 0.00 0.00 46.19 47.21 2e7k s LEU 85 CO 0.24 -0.68 0.70 -0.44 0.02 0.00 0.00 176.35 176.18 2e7k s SER 86 N -2.61 5.60 0.30 2.29 0.01 -1.26 -2.49 113.70 115.54 2e7k s SER 86 Ca 0.02 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.39 2e7k s SER 86 Cb 0.03 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.04 2e7k s SER 86 CO -0.09 -0.87 0.40 0.61 0.41 0.00 0.00 173.24 173.69 2e7k n GLY 87 N -2.16 2.36 3.59 3.44 0.00 -1.26 -4.95 105.19 106.20 2e7k n GLY 87 Ca 0.04 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.74 3.19 -0.08 1.61 0.04 -1.26 -4.87 135.00 130.89 2e7k s PRO 88 Ca 0.26 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 2e7k s PRO 88 Cb -0.01 -4.22 -0.29 0.00 0.04 0.00 0.00 34.50 30.03 2e7k s PRO 88 CO 0.19 -2.03 0.78 0.77 0.04 0.00 0.00 177.00 176.75 2e7k h SER 89 N 13.01 0.33 0.02 6.66 0.02 -2.02 -3.38 113.55 128.20 2e7k h SER 89 Ca -0.30 -0.93 -0.08 0.00 -0.84 0.00 0.00 61.79 59.63 2e7k h SER 89 Cb 1.15 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2e7k h SER 89 CO 1.09 1.34 -0.44 0.77 -1.14 0.00 0.00 176.83 178.46 2e7k h SER 90 N -0.53 0.07 0.00 3.07 4.64 -2.08 -3.57 113.55 115.15 2e7k h SER 90 Ca -0.14 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 2e7k h SER 90 Cb 1.50 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2e7k h SER 90 CO 0.09 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.84