#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 -2.74 -4.01 1.61 7.64 -1.26 -4.92 113.62 109.94 2e7k n SER 2 Ca 0.00 -0.96 -0.32 0.00 1.01 0.00 0.00 58.87 58.60 2e7k n SER 2 Cb 0.00 -3.07 -0.14 0.00 -1.01 0.00 0.00 64.21 59.99 2e7k n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e7k s SER 3 N -3.61 4.70 -0.11 6.43 0.15 -1.26 -5.08 113.70 114.92 2e7k s SER 3 Ca 0.51 -2.48 0.03 0.00 0.70 0.00 0.00 55.95 54.71 2e7k s SER 3 Cb -0.27 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2e7k s SER 3 CO 0.90 -0.35 -0.23 -0.83 1.20 0.00 0.00 173.24 173.93 2e7k s GLY 4 N 0.58 1.34 0.09 9.45 0.00 -1.26 -5.11 107.32 112.41 2e7k s GLY 4 Ca 0.13 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.64 2e7k s GLY 4 CO -0.05 -0.24 0.51 -1.35 0.00 0.00 0.00 173.10 171.98 2e7k s SER 5 N 0.47 -0.43 -0.96 1.64 1.04 -1.26 -5.10 113.70 109.10 2e7k s SER 5 Ca -0.16 0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 2e7k s SER 5 Cb -0.17 0.51 0.13 0.00 0.10 0.00 0.00 66.02 66.59 2e7k s SER 5 CO 0.06 -0.81 1.17 -0.44 0.98 0.00 0.00 173.24 174.20 2e7k s SER 6 N -2.34 6.67 0.00 7.02 0.01 -1.26 -4.79 113.70 119.02 2e7k s SER 6 Ca -0.02 -2.13 0.00 0.00 1.31 0.00 0.00 55.95 55.11 2e7k s SER 6 Cb -0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2e7k s SER 6 CO -0.07 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.15 2e7k n GLY 7 N 5.38 0.16 3.15 3.44 0.00 -1.26 -5.00 105.19 111.07 2e7k n GLY 7 Ca 0.26 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 0.23 0.06 1.61 3.52 -0.28 -4.87 118.95 119.22 2e7k s ARG 8 Ca 0.00 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 2e7k s ARG 8 Cb 0.00 0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 2e7k s ARG 8 CO 0.00 -0.32 0.96 -1.64 -0.81 0.00 0.00 175.30 173.49 2e7k s MET 9 N 2.94 4.63 -0.18 5.12 -1.94 -1.25 -0.98 119.30 127.64 2e7k s MET 9 Ca 0.11 1.43 0.01 0.00 -1.71 0.00 0.00 55.69 55.53 2e7k s MET 9 Cb -0.08 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.37 2e7k s MET 9 CO -0.17 0.10 -0.18 0.08 -0.01 0.00 0.00 175.02 174.84 2e7k s VAL 10 N 0.44 1.94 -0.34 -6.03 1.01 -0.46 -4.90 120.40 112.06 2e7k s VAL 10 Ca 0.49 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2e7k s VAL 10 Cb -0.22 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 2e7k s VAL 10 CO 0.29 0.49 0.60 -0.83 0.00 0.00 0.00 175.10 175.65 2e7k s GLY 11 N 1.33 1.77 -0.14 4.51 0.00 -1.26 -2.42 107.32 111.11 2e7k s GLY 11 Ca 0.04 -0.84 -0.08 0.00 0.00 0.00 0.00 44.72 43.84 2e7k s GLY 11 CO -0.12 1.43 0.14 -0.42 0.00 0.00 0.00 173.10 174.13 2e7k s ILE 12 N 2.61 5.47 -0.81 0.90 1.09 -0.58 -4.95 121.20 124.93 2e7k s ILE 12 Ca 0.23 0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.99 2e7k s ILE 12 Cb -0.15 -3.43 0.36 0.00 -1.06 0.00 0.00 42.46 38.18 2e7k s ILE 12 CO 0.14 0.57 1.88 -2.11 -0.10 0.00 0.00 174.94 175.32 2e7k n ARG 13 N 2.40 3.05 -2.38 2.79 1.85 -1.26 -2.95 116.66 120.16 2e7k n ARG 13 Ca -0.19 -3.75 -0.25 0.00 -1.00 0.00 0.00 57.85 52.67 2e7k n ARG 13 Cb 0.54 -2.28 0.09 0.00 -1.05 0.00 0.00 32.46 29.76 2e7k n ARG 13 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2e7k s LYS 14 N -4.02 1.85 0.05 2.89 -2.85 -1.26 -5.08 119.74 111.31 2e7k s LYS 14 Ca 0.50 -0.69 0.05 0.00 -1.00 0.00 0.00 55.97 54.83 2e7k s LYS 14 Cb 0.41 -2.24 -0.02 0.00 -2.06 0.00 0.00 37.83 33.92 2e7k s LYS 14 CO -0.37 -1.39 -0.13 -0.08 0.10 0.00 0.00 175.35 173.49 2e7k s THR 15 N -3.21 1.03 -0.06 3.79 -1.32 -1.26 -4.05 115.64 110.57 2e7k s THR 15 Ca 0.64 -1.10 -0.34 0.00 -1.21 0.00 0.00 61.69 59.68 2e7k s THR 15 Cb -0.08 -0.97 -0.16 0.00 -1.51 0.00 0.00 72.50 69.78 2e7k s THR 15 CO 0.45 -0.12 0.94 0.00 -2.21 0.00 0.00 174.62 173.68 2e7k n ALA 16 N 1.66 -2.82 0.00 11.08 0.00 -1.26 -1.48 120.51 127.68 2e7k n ALA 16 Ca -0.19 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2e7k n ALA 16 Cb 0.55 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.52 2.16 2.57 0.00 0.00 -0.30 -5.02 105.19 106.12 2e7k n GLY 17 Ca 0.18 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.12 1.61 4.71 -0.55 -4.81 120.64 117.48 2e7k n GLU 18 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.91 2e7k n GLU 18 Cb 0.00 -0.77 -0.05 0.00 -1.01 0.00 0.00 31.44 29.61 2e7k n GLU 18 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2e7k s HIS 19 N -1.07 3.07 -0.13 -0.32 2.46 -1.26 -4.53 115.29 113.52 2e7k s HIS 19 Ca 0.47 -0.09 -0.21 0.00 0.47 0.00 0.00 55.06 55.71 2e7k s HIS 19 Cb -0.59 -1.43 -0.18 0.00 -0.13 0.00 0.00 32.58 30.26 2e7k s HIS 19 CO 0.46 0.53 0.53 -0.07 -2.47 0.00 0.00 174.74 173.72 2e7k h LEU 20 N 1.97 0.00 -0.45 8.88 -0.00 -1.92 -3.47 115.31 120.32 2e7k h LEU 20 Ca -0.48 -0.70 0.00 0.00 -0.00 0.00 0.00 57.88 56.70 2e7k h LEU 20 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2e7k h LEU 20 CO 0.61 0.87 0.00 0.61 -0.00 0.00 0.00 178.44 180.53 2e7k n GLY 21 N 1.65 0.66 3.09 0.83 0.00 -1.26 -4.10 105.19 106.06 2e7k n GLY 21 Ca -0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.70 0.20 -0.20 1.61 -7.23 -1.26 -1.36 120.40 110.45 2e7k s VAL 22 Ca 0.00 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2e7k s VAL 22 Cb 0.00 -1.34 0.04 0.00 0.56 0.00 0.00 36.38 35.64 2e7k s VAL 22 CO 0.00 -0.89 -0.14 0.42 -0.31 0.00 0.00 175.10 174.18 2e7k s THR 23 N -3.59 1.90 -0.03 5.32 -4.23 0.92 -4.91 115.64 111.01 2e7k s THR 23 Ca 0.04 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 2e7k s THR 23 Cb 0.05 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.98 2e7k s THR 23 CO -0.09 0.29 0.23 -0.36 -0.54 0.00 0.00 174.62 174.15 2e7k s PHE 24 N 1.30 3.59 0.12 3.99 0.08 -1.26 0.17 117.98 125.97 2e7k s PHE 24 Ca -0.00 0.57 0.10 0.00 0.12 0.00 0.00 56.93 57.72 2e7k s PHE 24 Cb -0.16 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2e7k s PHE 24 CO -0.09 0.66 -0.24 -0.98 -0.10 0.00 0.00 175.22 174.46 2e7k s ARG 25 N -1.53 1.55 -0.60 0.44 1.70 -0.06 -4.76 118.95 115.69 2e7k s ARG 25 Ca 0.24 -1.28 -0.22 0.00 -0.47 0.00 0.00 55.73 54.00 2e7k s ARG 25 Cb -0.13 -1.98 0.07 0.00 -0.57 0.00 0.00 34.95 32.34 2e7k s ARG 25 CO 0.13 0.46 0.86 0.08 -1.08 0.00 0.00 175.30 175.76 2e7k s VAL 26 N -1.07 4.50 -0.09 4.99 1.01 -1.26 -2.12 120.40 126.36 2e7k s VAL 26 Ca 0.15 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2e7k s VAL 26 Cb -0.10 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.73 2e7k s VAL 26 CO 0.07 -1.22 -0.16 -1.61 0.00 0.00 0.00 175.10 172.18 2e7k s GLU 27 N 3.60 2.20 -1.30 2.72 2.02 -0.50 -4.83 118.70 122.60 2e7k s GLU 27 Ca 0.21 -0.57 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 2e7k s GLU 27 Cb -0.17 -1.79 0.03 0.00 0.10 0.00 0.00 34.13 32.30 2e7k s GLU 27 CO 0.12 0.03 0.51 0.41 0.02 0.00 0.00 175.26 176.35 2e7k n GLY 28 N 3.89 -0.64 2.74 -1.39 0.00 -1.26 0.90 105.19 109.43 2e7k n GLY 28 Ca -0.21 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.18 -0.49 2.81 -0.02 0.00 -1.26 -4.92 105.19 99.12 2e7k n GLY 29 Ca -0.17 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.32 -0.01 -0.24 1.61 2.02 0.26 -4.87 118.70 112.14 2e7k s GLU 30 Ca 0.12 0.21 -0.26 0.00 0.02 0.00 0.00 54.97 55.06 2e7k s GLU 30 Cb -0.06 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.95 2e7k s GLU 30 CO 0.15 -0.16 0.91 -0.51 0.02 0.00 0.00 175.26 175.67 2e7k s LEU 31 N 1.02 4.08 -0.03 1.80 1.43 -1.26 -1.42 118.68 124.31 2e7k s LEU 31 Ca -0.08 1.14 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 2e7k s LEU 31 Cb -0.12 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 2e7k s LEU 31 CO -0.03 -0.59 -0.17 -0.69 0.23 0.00 0.00 176.35 175.10 2e7k s VAL 32 N 3.01 1.37 -0.45 -1.59 1.01 -0.90 -0.29 120.40 122.55 2e7k s VAL 32 Ca 0.38 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2e7k s VAL 32 Cb -0.15 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 2e7k s VAL 32 CO 0.07 0.39 2.39 -0.38 0.00 0.00 0.00 175.10 177.57 2e7k n ILE 33 N 2.95 0.00 0.11 2.22 5.41 -0.65 -0.88 119.36 128.52 2e7k n ILE 33 Ca -0.17 -0.71 -0.13 0.00 1.00 0.00 0.00 62.75 62.74 2e7k n ILE 33 Cb 0.53 -2.68 -0.08 0.00 -0.71 0.00 0.00 39.64 36.70 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 18.45 -0.28 -2.75 -1.39 0.00 0.13 -2.92 119.26 130.50 2e7k h ALA 34 Ca -0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2e7k h ALA 34 Cb 1.27 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 2e7k h ALA 34 CO 1.12 -0.48 -0.15 0.50 0.00 0.00 0.00 179.25 180.24 2e7k s ARG 35 N -4.71 1.25 -0.17 0.00 3.52 -0.88 -4.84 118.95 113.12 2e7k s ARG 35 Ca -0.14 -1.01 0.01 0.00 -0.13 0.00 0.00 55.73 54.45 2e7k s ARG 35 Cb 0.02 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.89 2e7k s ARG 35 CO 0.58 -0.50 -0.12 0.42 -0.81 0.00 0.00 175.30 174.88 2e7k s ILE 36 N -3.92 1.61 0.00 4.11 1.01 -1.26 -0.06 121.20 122.69 2e7k s ILE 36 Ca 0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 2e7k s ILE 36 Cb 0.01 -1.60 -0.16 0.00 0.01 0.00 0.00 42.46 40.72 2e7k s ILE 36 CO -0.02 0.31 2.91 0.18 0.00 0.00 0.00 174.94 178.32 2e7k n LEU 37 N 4.73 5.04 -3.11 2.97 4.32 -0.47 -4.71 117.00 125.77 2e7k n LEU 37 Ca -0.16 -2.78 -0.20 0.00 -0.02 0.00 0.00 56.01 52.85 2e7k n LEU 37 Cb 0.48 -1.25 -0.04 0.00 -1.62 0.00 0.00 43.42 40.99 2e7k n LEU 37 CO 0.21 1.37 -0.07 1.41 -1.22 0.00 0.00 177.39 179.08 2e7k n HIS 38 N 2.15 -1.09 -0.32 -1.77 8.25 -1.26 -4.65 115.22 116.53 2e7k n HIS 38 Ca 0.26 0.32 0.35 0.00 -0.26 0.00 0.00 57.72 58.40 2e7k n HIS 38 Cb 0.73 -1.14 0.68 0.00 1.12 0.00 0.00 29.99 31.38 2e7k n HIS 38 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2e7k h GLY 39 N -0.41 0.00 0.00 -1.41 0.00 -1.71 -3.45 103.07 96.09 2e7k h GLY 39 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2e7k h GLY 39 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2e7k n GLY 40 N -1.75 3.08 0.21 4.60 0.00 -1.26 -4.86 105.19 105.21 2e7k n GLY 40 Ca 0.27 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 0.57 0.00 1.61 1.85 -1.87 -0.17 114.93 116.92 2e7k h MET 41 Ca 0.00 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.00 2e7k h MET 41 Cb 0.00 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 2e7k h MET 41 CO 0.00 0.38 -0.35 0.28 -0.40 0.00 0.00 176.91 176.82 2e7k h VAL 42 N 0.59 1.22 -0.59 -5.77 2.07 -1.89 -2.93 116.25 108.94 2e7k h VAL 42 Ca 0.21 -2.04 0.12 0.00 0.82 0.00 0.00 66.70 65.81 2e7k h VAL 42 Cb 0.04 2.43 -0.11 0.00 -1.52 0.00 0.00 31.29 32.12 2e7k h VAL 42 CO -0.10 0.41 -0.17 0.00 0.02 0.00 0.00 177.57 177.73 2e7k h ALA 43 N -0.32 0.34 0.41 1.67 0.00 -1.86 0.24 119.26 119.74 2e7k h ALA 43 Ca -0.09 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2e7k h ALA 43 Cb 0.91 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2e7k h ALA 43 CO -0.05 -0.46 -0.20 1.96 0.00 0.00 0.00 179.25 180.50 2e7k h GLN 44 N -0.03 -0.53 -0.79 0.00 1.08 -1.18 -3.29 115.11 110.37 2e7k h GLN 44 Ca 0.28 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.62 2e7k h GLN 44 Cb 0.46 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.89 2e7k h GLN 44 CO -0.62 -0.36 -0.49 1.96 -0.95 0.00 0.00 178.83 178.37 2e7k h GLN 45 N -0.71 -0.12 0.00 1.46 4.20 -1.31 -3.45 115.11 115.18 2e7k h GLN 45 Ca -0.06 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2e7k h GLN 45 Cb 0.43 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2e7k h GLN 45 CO 0.09 -0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2e7k n GLY 46 N -1.37 0.91 0.14 3.46 0.00 0.82 -4.93 105.19 104.23 2e7k n GLY 46 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.40 -9.66 0.99 3.38 -1.88 -3.43 115.31 105.11 2e7k h LEU 47 Ca 0.00 -0.40 -0.66 0.00 0.09 0.00 0.00 57.88 56.91 2e7k h LEU 47 Cb 0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 2e7k h LEU 47 CO 0.00 0.71 -0.50 -0.76 0.09 0.00 0.00 178.44 177.98 2e7k s LEU 48 N -9.28 4.28 0.23 1.67 1.43 -1.26 -5.10 118.68 110.65 2e7k s LEU 48 Ca -0.14 0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 2e7k s LEU 48 Cb 0.06 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 44.06 2e7k s LEU 48 CO 0.75 0.35 0.60 -1.38 0.23 0.00 0.00 176.35 176.90 2e7k s HIS 49 N -1.13 -0.10 -0.11 0.29 -3.43 -1.26 -4.79 115.29 104.76 2e7k s HIS 49 Ca 0.19 -0.28 -0.36 0.00 -0.80 0.00 0.00 55.06 53.81 2e7k s HIS 49 Cb -0.12 0.50 -0.14 0.00 -1.43 0.00 0.00 32.58 31.39 2e7k s HIS 49 CO 0.09 -1.05 1.76 0.28 -2.00 0.00 0.00 174.74 173.82 2e7k n VAL 50 N -0.40 0.38 0.00 -5.38 0.31 -1.26 -2.23 118.33 109.75 2e7k n VAL 50 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2e7k n VAL 50 Cb 0.61 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 4.07 1.29 3.68 2.92 0.00 -1.10 -5.02 105.19 111.02 2e7k n GLY 51 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 6.27 -0.17 1.61 1.01 -0.95 -4.90 116.67 117.54 2e7k s ASP 52 Ca 0.00 0.30 -0.15 0.00 0.71 0.00 0.00 52.55 53.41 2e7k s ASP 52 Cb 0.00 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 2e7k s ASP 52 CO 0.00 0.03 0.35 -0.63 0.21 0.00 0.00 175.17 175.13 2e7k s ILE 53 N 1.01 5.26 -0.30 0.77 1.01 -1.04 -1.64 121.20 126.27 2e7k s ILE 53 Ca 0.12 0.66 -0.18 0.00 0.00 0.00 0.00 60.65 61.25 2e7k s ILE 53 Cb -0.14 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2e7k s ILE 53 CO 0.05 0.34 0.50 -0.63 0.00 0.00 0.00 174.94 175.19 2e7k s ILE 54 N 0.75 5.06 -0.19 2.92 1.01 0.60 -0.89 121.20 130.46 2e7k s ILE 54 Ca 0.19 0.62 -0.19 0.00 0.00 0.00 0.00 60.65 61.26 2e7k s ILE 54 Cb -0.14 -3.87 -0.16 0.00 0.01 0.00 0.00 42.46 38.31 2e7k s ILE 54 CO 0.06 -0.03 0.17 0.50 0.00 0.00 0.00 174.94 175.64 2e7k h LYS 55 N 8.23 0.00 -3.50 2.79 3.11 -0.93 -3.39 116.57 122.88 2e7k h LYS 55 Ca -0.29 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.49 2e7k h LYS 55 Cb 1.14 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.24 2e7k h LYS 55 CO 0.73 0.76 -0.13 -1.83 -2.81 0.00 0.00 179.45 176.17 2e7k s GLU 56 N -2.30 1.11 -0.25 1.90 4.04 -1.23 -4.32 118.70 117.65 2e7k s GLU 56 Ca -0.24 -0.83 -0.02 0.00 0.04 0.00 0.00 54.97 53.91 2e7k s GLU 56 Cb 0.04 0.45 0.08 0.00 0.02 0.00 0.00 34.13 34.72 2e7k s GLU 56 CO 0.50 -0.43 0.07 0.54 -1.84 0.00 0.00 175.26 174.10 2e7k s VAL 57 N -3.85 0.63 -1.02 1.83 0.11 -0.63 -0.39 120.40 117.07 2e7k s VAL 57 Ca 0.06 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 2e7k s VAL 57 Cb 0.02 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.55 2e7k s VAL 57 CO -0.09 -0.44 0.87 0.59 -3.33 0.00 0.00 175.10 172.70 2e7k n ASN 58 N 4.98 -3.41 -3.32 3.54 3.02 -0.86 -2.66 115.26 116.54 2e7k n ASN 58 Ca -0.06 -0.58 -0.24 0.00 -0.03 0.00 0.00 54.58 53.67 2e7k n ASN 58 Cb 0.44 -4.65 0.02 0.00 -0.61 0.00 0.00 39.78 34.98 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 -1.16 -0.51 2.93 7.41 0.00 -1.26 -4.97 105.19 107.62 2e7k n GLY 59 Ca -0.19 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2e7k n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2e7k s GLN 60 N -6.00 0.32 -0.33 1.61 0.74 -1.09 -5.11 119.66 109.81 2e7k s GLN 60 Ca 0.41 -0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.42 2e7k s GLN 60 Cb -0.20 -0.32 -0.01 0.00 1.10 0.00 0.00 33.01 33.57 2e7k s GLN 60 CO 0.51 0.07 1.68 -1.25 -0.55 0.00 0.00 175.29 175.75 2e7k s PRO 61 N 0.00 3.48 0.48 1.67 0.04 -1.26 -1.61 135.00 137.79 2e7k s PRO 61 Ca 0.00 1.37 0.24 0.00 0.04 0.00 0.00 61.00 62.65 2e7k s PRO 61 Cb -0.03 -4.13 1.19 0.00 0.04 0.00 0.00 34.50 31.58 2e7k s PRO 61 CO -0.00 -1.68 1.97 -0.39 0.04 0.00 0.00 177.00 176.94 2e7k h VAL 62 N 6.61 0.70 -2.59 -0.36 -1.51 -1.93 -3.48 116.25 113.69 2e7k h VAL 62 Ca -0.32 -0.80 0.31 0.00 -1.23 0.00 0.00 66.70 64.66 2e7k h VAL 62 Cb 1.15 1.50 -0.08 0.00 -2.13 0.00 0.00 31.29 31.73 2e7k h VAL 62 CO 1.04 0.19 -0.45 0.61 -1.23 0.00 0.00 177.57 177.73 2e7k n GLY 63 N -0.46 -1.83 2.44 5.19 0.00 -1.26 -4.06 105.19 105.20 2e7k n GLY 63 Ca -0.01 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.64 6.57 -3.71 1.61 7.64 -1.26 -4.73 113.62 116.10 2e7k n SER 64 Ca 0.00 -3.24 -0.30 0.00 1.01 0.00 0.00 58.87 56.34 2e7k n SER 64 Cb 0.53 -1.20 -0.15 0.00 -1.01 0.00 0.00 64.21 62.38 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 0.19 3.97 0.10 6.43 1.01 -1.26 -4.97 116.67 122.13 2e7k s ASP 65 Ca 0.55 -1.62 -0.15 0.00 0.71 0.00 0.00 52.55 52.04 2e7k s ASP 65 Cb 0.37 -0.81 -0.09 0.00 1.01 0.00 0.00 42.92 43.41 2e7k s ASP 65 CO -0.20 -0.42 1.42 1.55 0.21 0.00 0.00 175.17 177.73 2e7k h PRO 66 N 8.10 0.68 0.00 8.23 0.13 -1.86 -1.94 132.00 145.33 2e7k h PRO 66 Ca -0.14 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2e7k h PRO 66 Cb 1.01 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2e7k h PRO 66 CO 0.47 0.96 -0.21 0.00 -0.23 0.00 0.00 178.00 178.99 2e7k h ARG 67 N 0.41 0.00 0.00 0.86 3.08 -1.94 -2.08 114.38 114.71 2e7k h ARG 67 Ca 0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2e7k h ARG 67 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2e7k h ARG 67 CO 0.07 0.21 -0.75 0.00 -1.07 0.00 0.00 179.97 178.43 2e7k h ALA 68 N 1.79 0.69 0.08 0.04 0.00 -1.93 -3.33 119.26 116.60 2e7k h ALA 68 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2e7k h ALA 68 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2e7k h ALA 68 CO 0.03 0.48 -0.04 1.25 0.00 0.00 0.00 179.25 180.97 2e7k h LEU 69 N 0.00 -0.10 -1.52 0.00 5.85 -0.75 -2.90 115.31 115.89 2e7k h LEU 69 Ca -0.05 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2e7k h LEU 69 Cb 1.30 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2e7k h LEU 69 CO 0.04 0.56 0.44 1.56 -0.34 0.00 0.00 178.44 180.70 2e7k h GLN 70 N -0.95 0.00 0.02 1.25 4.20 -1.56 0.64 115.11 118.72 2e7k h GLN 70 Ca -0.01 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.40 2e7k h GLN 70 Cb 0.50 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2e7k h GLN 70 CO 0.02 0.00 -1.67 1.49 -0.67 0.00 0.00 178.83 178.00 2e7k h GLU 71 N 0.00 0.05 -0.67 1.46 4.81 -1.66 -3.27 114.58 115.30 2e7k h GLU 71 Ca 0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2e7k h GLU 71 Cb 0.89 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 2e7k h GLU 71 CO 0.00 0.68 0.35 1.37 -0.73 0.00 0.00 179.01 180.68 2e7k h LEU 72 N 0.01 0.85 -0.05 1.64 8.10 0.50 -3.03 115.31 123.34 2e7k h LEU 72 Ca -0.28 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 57.60 2e7k h LEU 72 Cb 2.00 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 42.00 2e7k h LEU 72 CO 0.09 0.71 -0.01 -0.07 -4.11 0.00 0.00 178.44 175.06 2e7k h LEU 73 N 0.92 0.09 -0.91 0.17 3.38 -1.65 -1.14 115.31 116.16 2e7k h LEU 73 Ca 0.23 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 58.03 2e7k h LEU 73 Cb 0.07 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 40.62 2e7k h LEU 73 CO -0.03 0.42 -0.25 -1.14 0.09 0.00 0.00 178.44 177.52 2e7k n ARG 74 N -4.86 -0.11 0.06 1.13 0.63 -1.15 0.06 116.66 112.44 2e7k n ARG 74 Ca -0.07 1.42 -0.21 0.00 -0.92 0.00 0.00 57.85 58.06 2e7k n ARG 74 Cb 0.20 -2.11 -0.13 0.00 0.45 0.00 0.00 32.46 30.88 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 0.78 -0.78 6.15 2.35 -1.53 -0.77 115.58 121.78 2e7k h ASN 75 Ca 0.42 -0.82 -0.62 0.00 -0.55 0.00 0.00 56.30 54.73 2e7k h ASN 75 Cb 0.64 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2e7k h ASN 75 CO -0.93 1.51 1.50 0.00 -1.65 0.00 0.00 177.43 177.86 2e7k n ALA 76 N -2.66 0.75 -2.70 -0.83 0.00 0.11 -4.64 120.51 110.54 2e7k n ALA 76 Ca -0.13 -0.19 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2e7k n ALA 76 Cb 0.90 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 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 8.17 6.06 0.19 0.00 0.15 -1.26 -4.59 113.70 122.42 2e7k s SER 77 Ca 1.15 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2e7k s SER 77 Cb -0.94 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2e7k s SER 77 CO 0.48 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2e7k n GLY 78 N -1.50 -1.46 3.63 9.45 0.00 -1.26 -4.73 105.19 109.32 2e7k n GLY 78 Ca -0.04 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 6.15 -0.12 1.61 0.01 -1.26 -4.49 113.70 111.59 2e7k s SER 79 Ca 0.00 2.05 -0.04 0.00 1.31 0.00 0.00 55.95 59.27 2e7k s SER 79 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2e7k s SER 79 CO 0.00 -1.38 0.03 -0.69 0.41 0.00 0.00 173.24 171.60 2e7k s VAL 80 N 5.82 4.51 -0.06 3.43 1.01 -1.15 -4.96 120.40 129.00 2e7k s VAL 80 Ca 0.85 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2e7k s VAL 80 Cb -0.33 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2e7k s VAL 80 CO 0.35 0.57 -0.08 -0.63 0.00 0.00 0.00 175.10 175.31 2e7k s ILE 81 N -0.53 3.64 -0.06 2.22 1.09 -1.26 -1.53 121.20 124.77 2e7k s ILE 81 Ca 0.10 -0.53 -0.00 0.00 -1.10 0.00 0.00 60.65 59.11 2e7k s ILE 81 Cb -0.12 -2.49 0.03 0.00 -1.06 0.00 0.00 42.46 38.82 2e7k s ILE 81 CO 0.02 0.58 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.66 2e7k s LEU 82 N -0.86 0.93 -0.47 2.97 1.43 -1.02 -2.03 118.68 119.63 2e7k s LEU 82 Ca 0.13 -0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 52.90 2e7k s LEU 82 Cb -0.11 -0.45 0.03 0.00 0.03 0.00 0.00 46.19 45.69 2e7k s LEU 82 CO 0.02 -0.13 0.72 -0.75 0.23 0.00 0.00 176.35 176.44 2e7k s LYS 83 N 1.51 3.29 0.27 1.70 2.20 0.47 -1.35 119.74 127.84 2e7k s LYS 83 Ca -0.02 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.29 2e7k s LYS 83 Cb -0.13 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2e7k s LYS 83 CO -0.03 -1.15 0.26 0.42 -0.36 0.00 0.00 175.35 174.49 2e7k s ILE 84 N 3.09 4.38 0.03 5.43 -1.09 -0.16 -0.23 121.20 132.65 2e7k s ILE 84 Ca 0.24 -1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 2e7k s ILE 84 Cb -0.14 -3.44 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2e7k s ILE 84 CO 0.19 -0.30 0.28 -0.76 -1.23 0.00 0.00 174.94 173.12 2e7k s LEU 85 N -3.92 0.99 -0.06 2.97 1.02 -0.07 -1.13 118.68 118.49 2e7k s LEU 85 Ca 0.35 -0.17 -0.25 0.00 0.02 0.00 0.00 54.13 54.08 2e7k s LEU 85 Cb -0.08 1.24 -0.20 0.00 0.02 0.00 0.00 46.19 47.17 2e7k s LEU 85 CO 0.26 -0.56 1.03 0.28 0.02 0.00 0.00 176.35 177.38 2e7k h SER 86 N 3.42 -0.06 -4.32 2.29 0.02 -1.90 -2.75 113.55 110.24 2e7k h SER 86 Ca -0.31 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2e7k h SER 86 Cb 1.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2e7k h SER 86 CO 0.45 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 2e7k n GLY 87 N 0.62 2.25 3.61 -3.77 0.00 -1.26 -4.74 105.19 101.89 2e7k n GLY 87 Ca -0.08 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.14 3.51 0.98 1.61 0.04 -1.26 -5.00 135.00 130.75 2e7k s PRO 88 Ca 0.00 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 2e7k s PRO 88 Cb 0.00 -4.12 0.25 0.00 0.04 0.00 0.00 34.50 30.67 2e7k s PRO 88 CO 0.00 -1.64 0.75 0.45 0.04 0.00 0.00 177.00 176.59 2e7k n SER 89 N 9.49 -2.51 -4.05 6.66 2.88 -1.26 -3.94 113.62 120.88 2e7k n SER 89 Ca 0.21 -0.86 -0.27 0.00 -1.33 0.00 0.00 58.87 56.61 2e7k n SER 89 Cb 0.46 -0.74 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 2e7k n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e7k n SER 90 N -4.67 0.63 0.00 -3.46 7.64 -1.26 -5.32 113.62 107.19 2e7k n SER 90 Ca 0.11 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2e7k n SER 90 Cb 0.44 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2e7k n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64