#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 1.61 0.36 1.61 1.04 -1.26 -5.16 113.70 111.90 2e7k s SER 2 Ca 0.00 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.91 2e7k s SER 2 Cb 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 2e7k s SER 2 CO 0.00 -0.08 0.07 -0.44 0.98 0.00 0.00 173.24 173.77 2e7k s SER 3 N -1.69 4.31 -1.06 7.02 0.01 -1.26 -5.08 113.70 115.96 2e7k s SER 3 Ca -0.02 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.15 2e7k s SER 3 Cb -0.10 -0.56 0.26 0.00 0.21 0.00 0.00 66.02 65.83 2e7k s SER 3 CO 0.02 -0.32 1.06 -0.83 0.41 0.00 0.00 173.24 173.59 2e7k s GLY 4 N -3.78 3.03 -0.28 3.44 0.00 -1.26 -4.98 107.32 103.50 2e7k s GLY 4 Ca 0.36 -3.68 0.02 0.00 0.00 0.00 0.00 44.72 41.42 2e7k s GLY 4 CO 0.21 1.38 -0.07 -0.45 0.00 0.00 0.00 173.10 174.16 2e7k s SER 5 N 1.65 4.56 -0.75 1.64 0.15 -1.26 -5.06 113.70 114.63 2e7k s SER 5 Ca 0.29 -1.49 -0.12 0.00 0.70 0.00 0.00 55.95 55.33 2e7k s SER 5 Cb -0.09 -1.59 0.20 0.00 -1.71 0.00 0.00 66.02 62.83 2e7k s SER 5 CO -0.08 -0.23 0.67 -0.94 1.20 0.00 0.00 173.24 173.86 2e7k s SER 6 N 1.11 6.40 0.00 5.45 1.04 -1.26 -4.92 113.70 121.52 2e7k s SER 6 Ca -0.06 -2.59 0.00 0.00 0.48 0.00 0.00 55.95 53.78 2e7k s SER 6 Cb -0.20 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2e7k s SER 6 CO -0.05 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2e7k n GLY 7 N 4.06 0.36 2.61 7.32 0.00 -1.26 -4.86 105.19 113.42 2e7k n GLY 7 Ca 0.09 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 0.81 -0.33 1.61 3.52 -0.15 -4.93 118.95 119.48 2e7k s ARG 8 Ca 0.00 -1.44 -0.26 0.00 -0.13 0.00 0.00 55.73 53.90 2e7k s ARG 8 Cb 0.00 -1.79 0.01 0.00 -1.56 0.00 0.00 34.95 31.61 2e7k s ARG 8 CO 0.00 -1.13 0.91 -1.64 -0.81 0.00 0.00 175.30 172.63 2e7k s MET 9 N 1.03 3.94 -0.19 5.12 -1.94 -1.24 -1.19 119.30 124.83 2e7k s MET 9 Ca 0.15 0.71 -0.08 0.00 -1.71 0.00 0.00 55.69 54.76 2e7k s MET 9 Cb -0.22 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 2e7k s MET 9 CO -0.08 -0.83 0.07 0.08 -0.01 0.00 0.00 175.02 174.25 2e7k s VAL 10 N 3.32 4.84 -0.35 -6.03 1.01 -0.36 -4.86 120.40 117.96 2e7k s VAL 10 Ca 0.38 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 2e7k s VAL 10 Cb -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2e7k s VAL 10 CO 0.15 0.45 0.21 -0.83 0.00 0.00 0.00 175.10 175.08 2e7k s GLY 11 N 0.44 1.92 -0.09 4.51 0.00 -1.26 -2.05 107.32 110.80 2e7k s GLY 11 Ca 0.04 -1.53 0.04 0.00 0.00 0.00 0.00 44.72 43.26 2e7k s GLY 11 CO 0.00 0.79 -0.21 -0.42 0.00 0.00 0.00 173.10 173.26 2e7k s ILE 12 N 1.63 2.40 -0.59 0.90 1.01 -0.94 -4.97 121.20 120.64 2e7k s ILE 12 Ca 0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2e7k s ILE 12 Cb -0.18 -1.93 0.36 0.00 0.01 0.00 0.00 42.46 40.71 2e7k s ILE 12 CO 0.08 0.56 2.08 0.54 0.00 0.00 0.00 174.94 178.19 2e7k n ARG 13 N 3.24 2.45 -0.39 2.79 3.00 -1.26 -2.08 116.66 124.41 2e7k n ARG 13 Ca -0.18 -2.82 -0.30 0.00 -0.01 0.00 0.00 57.85 54.54 2e7k n ARG 13 Cb 0.53 -2.11 0.29 0.00 0.00 0.00 0.00 32.46 31.17 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 -3.22 -2.89 0.04 5.56 -2.85 -1.24 -4.78 119.74 110.36 2e7k s LYS 14 Ca 0.54 0.15 0.06 0.00 -1.00 0.00 0.00 55.97 55.73 2e7k s LYS 14 Cb 0.43 -1.38 -0.02 0.00 -2.06 0.00 0.00 37.83 34.79 2e7k s LYS 14 CO -0.07 -4.85 -0.19 0.95 0.10 0.00 0.00 175.35 171.30 2e7k s THR 15 N -2.29 1.49 -0.33 3.79 -4.23 -1.26 -2.75 115.64 110.06 2e7k s THR 15 Ca 0.69 -1.11 -0.40 0.00 -1.18 0.00 0.00 61.69 59.69 2e7k s THR 15 Cb -0.13 -1.31 -0.15 0.00 1.34 0.00 0.00 72.50 72.25 2e7k s THR 15 CO 0.58 0.16 1.89 0.00 -0.54 0.00 0.00 174.62 176.72 2e7k n ALA 16 N 1.91 0.13 0.00 3.99 0.00 -1.23 -2.03 120.51 123.28 2e7k n ALA 16 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2e7k n ALA 16 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 5.14 2.52 2.90 0.00 0.00 0.28 -5.00 105.19 111.02 2e7k n GLY 17 Ca 0.33 -0.75 -0.53 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.13 1.61 1.02 -0.86 -4.83 120.64 114.45 2e7k n GLU 18 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2e7k n GLU 18 Cb 0.00 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 2e7k n GLU 18 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2e7k s HIS 19 N 2.97 3.50 0.29 -0.32 2.46 -1.26 -4.75 115.29 118.18 2e7k s HIS 19 Ca 0.87 1.07 -0.00 0.00 0.47 0.00 0.00 55.06 57.47 2e7k s HIS 19 Cb -1.20 -2.74 0.43 0.00 -0.13 0.00 0.00 32.58 28.94 2e7k s HIS 19 CO 0.62 0.03 1.83 -0.07 -2.47 0.00 0.00 174.74 174.68 2e7k h LEU 20 N 7.18 0.71 -2.60 8.88 4.07 -1.94 -3.49 115.31 128.13 2e7k h LEU 20 Ca -0.38 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.44 2e7k h LEU 20 Cb 1.18 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.73 2e7k h LEU 20 CO 0.76 0.73 0.00 0.61 -1.08 0.00 0.00 178.44 179.46 2e7k n GLY 21 N -0.83 -0.41 3.34 0.83 0.00 -1.26 -4.45 105.19 102.42 2e7k n GLY 21 Ca 0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.40 0.05 -0.11 1.61 -7.23 -1.26 -0.09 120.40 111.96 2e7k s VAL 22 Ca 0.00 -0.43 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2e7k s VAL 22 Cb 0.00 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2e7k s VAL 22 CO 0.00 -0.24 -0.23 0.42 -0.31 0.00 0.00 175.10 174.75 2e7k s THR 23 N -3.30 2.01 -0.03 5.32 -4.23 0.62 -4.92 115.64 111.11 2e7k s THR 23 Ca -0.00 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2e7k s THR 23 Cb 0.01 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2e7k s THR 23 CO -0.08 0.55 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.16 2e7k s PHE 24 N 0.54 3.05 -0.14 3.99 0.40 -1.26 0.73 117.98 125.29 2e7k s PHE 24 Ca -0.14 0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2e7k s PHE 24 Cb -0.17 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.66 2e7k s PHE 24 CO 0.05 0.43 -0.20 -0.98 0.70 0.00 0.00 175.22 175.22 2e7k s ARG 25 N -1.24 3.09 -0.37 0.44 1.70 0.36 -4.69 118.95 118.24 2e7k s ARG 25 Ca 0.16 -0.82 -0.17 0.00 -0.47 0.00 0.00 55.73 54.43 2e7k s ARG 25 Cb -0.11 -2.48 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 2e7k s ARG 25 CO 0.06 0.03 0.46 0.54 -1.08 0.00 0.00 175.30 175.31 2e7k s VAL 26 N 0.74 5.06 -0.22 4.99 0.11 -1.26 -2.65 120.40 127.18 2e7k s VAL 26 Ca -0.08 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 2e7k s VAL 26 Cb -0.16 -3.96 0.06 0.00 -1.53 0.00 0.00 36.38 30.80 2e7k s VAL 26 CO 0.00 -0.26 0.01 -1.61 -3.33 0.00 0.00 175.10 169.91 2e7k s GLU 27 N 2.26 1.02 0.00 1.54 0.41 -1.15 -4.92 118.70 117.85 2e7k s GLU 27 Ca 0.15 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 54.04 2e7k s GLU 27 Cb -0.16 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 2e7k s GLU 27 CO 0.13 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.67 2e7k n GLY 28 N 4.89 2.06 0.39 -1.39 0.00 -1.26 -3.76 105.19 106.12 2e7k n GLY 28 Ca -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 0.04 3.16 -0.02 0.00 -1.26 -5.16 105.19 101.96 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 -0.54 0.00 0.00 0.00 173.32 172.78 2e7k s GLU 30 N 0.00 0.83 -0.23 1.61 0.41 -1.25 -4.91 118.70 115.16 2e7k s GLU 30 Ca 0.00 -1.34 0.01 0.00 -0.41 0.00 0.00 54.97 53.23 2e7k s GLU 30 Cb 0.00 -0.10 0.04 0.00 -1.78 0.00 0.00 34.13 32.29 2e7k s GLU 30 CO 0.00 -0.07 -0.13 -0.51 -0.49 0.00 0.00 175.26 174.06 2e7k s LEU 31 N -3.03 2.89 0.04 1.80 1.43 -1.26 -2.92 118.68 117.63 2e7k s LEU 31 Ca 0.13 -0.98 0.09 0.00 -1.03 0.00 0.00 54.13 52.35 2e7k s LEU 31 Cb 0.06 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2e7k s LEU 31 CO -0.04 -0.10 -0.26 0.68 0.23 0.00 0.00 176.35 176.85 2e7k s VAL 32 N 1.23 2.12 -0.58 -1.59 -7.23 -1.08 -1.98 120.40 111.28 2e7k s VAL 32 Ca -0.01 -1.37 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 2e7k s VAL 32 Cb -0.16 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2e7k s VAL 32 CO -0.08 0.37 1.82 -0.63 -0.31 0.00 0.00 175.10 176.28 2e7k s ILE 33 N -0.79 3.40 0.17 -0.62 1.01 -1.19 -0.49 121.20 122.69 2e7k s ILE 33 Ca 0.11 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.92 2e7k s ILE 33 Cb -0.10 -3.96 0.05 0.00 0.01 0.00 0.00 42.46 38.46 2e7k s ILE 33 CO 0.02 -0.89 1.63 0.00 0.00 0.00 0.00 174.94 175.70 2e7k h ALA 34 N 14.44 0.77 -2.50 9.38 0.00 -0.00 -2.43 119.26 138.92 2e7k h ALA 34 Ca -0.27 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2e7k h ALA 34 Cb 1.16 -0.21 -0.17 0.00 0.00 0.00 0.00 17.79 18.57 2e7k h ALA 34 CO 1.20 0.58 -0.08 0.50 0.00 0.00 0.00 179.25 181.45 2e7k s ARG 35 N -5.06 0.93 -0.26 0.00 3.52 -1.04 -4.90 118.95 112.14 2e7k s ARG 35 Ca -0.12 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2e7k s ARG 35 Cb 0.13 0.42 0.06 0.00 -1.56 0.00 0.00 34.95 34.00 2e7k s ARG 35 CO 0.84 -0.32 -0.07 0.42 -0.81 0.00 0.00 175.30 175.36 2e7k s ILE 36 N -2.37 1.90 0.53 4.11 1.01 -1.26 -0.27 121.20 124.85 2e7k s ILE 36 Ca -0.06 -1.51 -0.22 0.00 0.00 0.00 0.00 60.65 58.86 2e7k s ILE 36 Cb -0.01 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2e7k s ILE 36 CO -0.01 -0.10 1.37 -0.76 0.00 0.00 0.00 174.94 175.43 2e7k s LEU 37 N 1.21 3.89 0.16 2.97 2.01 0.87 -4.86 118.68 124.93 2e7k s LEU 37 Ca -0.06 2.78 -0.12 0.00 0.01 0.00 0.00 54.13 56.74 2e7k s LEU 37 Cb -0.19 -4.22 0.17 0.00 0.01 0.00 0.00 46.19 41.95 2e7k s LEU 37 CO -0.06 -1.50 1.05 0.00 1.01 0.00 0.00 176.35 176.85 2e7k n HIS 38 N -0.89 0.03 0.00 0.29 1.44 -1.26 -4.35 115.22 110.48 2e7k n HIS 38 Ca 0.09 0.83 0.00 0.00 -2.01 0.00 0.00 57.72 56.64 2e7k n HIS 38 Cb 0.45 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 29.80 2e7k n HIS 38 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2e7k n GLY 39 N -1.32 0.38 0.00 -1.39 0.00 -1.26 -4.52 105.19 97.08 2e7k n GLY 39 Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 3.64 0.06 -0.02 0.00 -1.26 -4.99 105.19 102.62 2e7k n GLY 40 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.12 -0.00 1.61 1.85 -1.82 0.36 114.93 116.80 2e7k h MET 41 Ca 0.00 0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 58.94 2e7k h MET 41 Cb 0.00 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 2e7k h MET 41 CO 0.00 -0.08 -0.75 -0.24 -0.40 0.00 0.00 176.91 175.44 2e7k h VAL 42 N -0.13 1.52 -0.30 -5.77 3.04 -1.91 -2.30 116.25 110.40 2e7k h VAL 42 Ca -0.01 -2.52 -0.01 0.00 -1.01 0.00 0.00 66.70 63.15 2e7k h VAL 42 Cb 0.11 2.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 2e7k h VAL 42 CO -0.01 0.72 0.13 0.00 -1.01 0.00 0.00 177.57 177.41 2e7k h ALA 43 N 1.23 0.38 0.33 3.17 0.00 -1.78 -2.77 119.26 119.81 2e7k h ALA 43 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2e7k h ALA 43 Cb 1.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2e7k h ALA 43 CO 0.10 -0.03 -0.16 1.96 0.00 0.00 0.00 179.25 181.12 2e7k h GLN 44 N 0.34 -0.43 -0.58 0.00 1.08 -0.31 -3.35 115.11 111.86 2e7k h GLN 44 Ca 0.10 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 2e7k h GLN 44 Cb 0.15 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 2e7k h GLN 44 CO -0.01 -0.26 -0.34 1.04 -0.95 0.00 0.00 178.83 178.30 2e7k n GLN 45 N -5.07 -0.26 -0.54 1.46 1.13 -0.87 -4.80 117.38 108.43 2e7k n GLN 45 Ca -0.06 1.07 0.00 0.00 -1.94 0.00 0.00 57.00 56.07 2e7k n GLN 45 Cb 0.19 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2e7k n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2e7k n GLY 46 N -1.15 0.76 0.19 1.08 0.00 -1.05 -4.93 105.19 100.09 2e7k n GLY 46 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 0.71 -9.63 0.99 3.38 -1.87 -3.44 115.31 105.45 2e7k h LEU 47 Ca 0.00 -0.62 -0.66 0.00 0.09 0.00 0.00 57.88 56.69 2e7k h LEU 47 Cb 0.00 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 2e7k h LEU 47 CO 0.00 1.21 -0.45 -0.76 0.09 0.00 0.00 178.44 178.53 2e7k s LEU 48 N -8.60 4.39 0.06 1.67 1.43 -1.26 -5.10 118.68 111.28 2e7k s LEU 48 Ca -0.12 0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 2e7k s LEU 48 Cb 0.07 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2e7k s LEU 48 CO 0.85 0.39 0.05 -1.38 0.23 0.00 0.00 176.35 176.48 2e7k s HIS 49 N -0.97 0.39 -0.18 0.29 -3.43 -1.26 -4.91 115.29 105.23 2e7k s HIS 49 Ca 0.16 -0.89 -0.40 0.00 -0.80 0.00 0.00 55.06 53.12 2e7k s HIS 49 Cb -0.12 -0.27 -0.17 0.00 -1.43 0.00 0.00 32.58 30.58 2e7k s HIS 49 CO 0.05 -0.44 1.54 0.28 -2.00 0.00 0.00 174.74 174.17 2e7k n VAL 50 N 0.06 0.14 0.00 -5.38 0.31 -1.26 -1.58 118.33 110.62 2e7k n VAL 50 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2e7k n VAL 50 Cb 0.61 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 3.40 0.81 3.62 2.92 0.00 -0.91 -4.94 105.19 110.09 2e7k n GLY 51 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.88 6.51 -0.21 1.61 1.11 -0.61 -4.77 116.67 118.42 2e7k s ASP 52 Ca 0.00 1.22 -0.22 0.00 0.18 0.00 0.00 52.55 53.72 2e7k s ASP 52 Cb 0.00 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 2e7k s ASP 52 CO 0.00 -1.22 0.70 -0.63 1.18 0.00 0.00 175.17 175.20 2e7k s ILE 53 N 4.88 4.95 -0.11 0.77 1.01 -1.24 -3.14 121.20 128.31 2e7k s ILE 53 Ca 0.61 1.33 -0.15 0.00 0.00 0.00 0.00 60.65 62.44 2e7k s ILE 53 Cb -0.18 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 2e7k s ILE 53 CO 0.27 0.04 0.37 -0.63 0.00 0.00 0.00 174.94 174.99 2e7k s ILE 54 N 2.25 5.22 -0.18 2.92 1.09 -0.84 -0.83 121.20 130.82 2e7k s ILE 54 Ca 0.31 0.72 -0.14 0.00 -1.10 0.00 0.00 60.65 60.45 2e7k s ILE 54 Cb -0.16 -3.70 -0.08 0.00 -1.06 0.00 0.00 42.46 37.47 2e7k s ILE 54 CO 0.10 0.42 -0.30 0.29 -0.10 0.00 0.00 174.94 175.35 2e7k n LYS 55 N 3.17 0.47 -3.76 2.79 4.76 -0.45 -4.49 118.16 120.64 2e7k n LYS 55 Ca -0.11 0.20 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 2e7k n LYS 55 Cb 0.52 -1.31 -0.09 0.00 -1.84 0.00 0.00 35.03 32.31 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 -2.61 0.66 -0.11 1.97 2.12 -1.25 -4.31 118.70 115.17 2e7k s GLU 56 Ca -0.29 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 2e7k s GLU 56 Cb 0.08 0.29 0.03 0.00 0.26 0.00 0.00 34.13 34.79 2e7k s GLU 56 CO 0.39 -0.18 -0.06 0.08 -0.54 0.00 0.00 175.26 174.95 2e7k s VAL 57 N -1.29 0.95 -1.41 3.70 1.01 -0.48 -2.09 120.40 120.79 2e7k s VAL 57 Ca -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2e7k s VAL 57 Cb -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2e7k s VAL 57 CO 0.04 0.33 0.11 0.59 0.00 0.00 0.00 175.10 176.17 2e7k n ASN 58 N 4.96 -4.93 -0.96 3.32 3.02 -1.05 -1.13 115.26 118.50 2e7k n ASN 58 Ca -0.12 0.01 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 2e7k n ASN 58 Cb 0.50 -4.12 0.01 0.00 -0.61 0.00 0.00 39.78 35.56 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 -1.00 0.35 2.87 7.41 0.00 -1.26 -5.05 105.19 108.51 2e7k n GLY 59 Ca -0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.79 0.10 0.42 1.61 0.74 -0.29 -5.15 119.66 112.30 2e7k s GLN 60 Ca 0.07 -0.01 -0.25 0.00 0.05 0.00 0.00 55.36 55.23 2e7k s GLN 60 Cb -0.03 -0.14 -0.08 0.00 1.10 0.00 0.00 33.01 33.85 2e7k s GLN 60 CO 0.09 -0.01 1.18 -1.25 -0.55 0.00 0.00 175.29 174.75 2e7k s PRO 61 N 0.18 3.95 0.00 1.67 0.04 -1.26 -1.38 135.00 138.20 2e7k s PRO 61 Ca -0.02 1.85 0.28 0.00 0.04 0.00 0.00 61.00 63.16 2e7k s PRO 61 Cb -0.03 -2.60 1.09 0.00 0.04 0.00 0.00 34.50 33.01 2e7k s PRO 61 CO -0.01 -0.41 1.78 1.33 0.04 0.00 0.00 177.00 179.74 2e7k n VAL 62 N -0.10 0.00 -2.18 -0.36 0.24 -1.26 -4.92 118.33 109.75 2e7k n VAL 62 Ca 0.05 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 62.09 2e7k n VAL 62 Cb 0.47 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 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 1.33 0.18 2.39 7.63 0.00 -1.26 -2.27 105.19 113.20 2e7k n GLY 63 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.81 -1.09 -4.18 1.61 2.88 -1.26 -4.87 113.62 104.91 2e7k n SER 64 Ca -0.23 0.45 -0.33 0.00 -1.33 0.00 0.00 58.87 57.43 2e7k n SER 64 Cb 0.68 -1.09 -0.16 0.00 -0.75 0.00 0.00 64.21 62.89 2e7k n SER 64 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2e7k s ASP 65 N -1.93 3.36 -0.02 -3.46 1.01 -0.96 -4.83 116.67 109.83 2e7k s ASP 65 Ca 0.00 -0.58 -0.25 0.00 0.71 0.00 0.00 52.55 52.43 2e7k s ASP 65 Cb 0.00 -1.52 -0.20 0.00 1.01 0.00 0.00 42.92 42.21 2e7k s ASP 65 CO 0.00 0.03 1.23 1.55 0.21 0.00 0.00 175.17 178.19 2e7k h PRO 66 N 7.75 -0.05 -0.68 8.23 0.13 -1.86 0.00 132.00 145.51 2e7k h PRO 66 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2e7k h PRO 66 Cb 1.16 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2e7k h PRO 66 CO 0.61 0.41 0.34 0.00 -0.23 0.00 0.00 178.00 179.13 2e7k h ARG 67 N -0.54 0.95 0.00 0.86 3.08 -1.96 -0.64 114.38 116.13 2e7k h ARG 67 Ca -0.01 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2e7k h ARG 67 Cb 0.49 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2e7k h ARG 67 CO 0.01 0.72 -0.04 0.00 -1.07 0.00 0.00 179.97 179.60 2e7k h ALA 68 N 1.42 0.98 0.02 0.04 0.00 -1.91 -3.28 119.26 116.54 2e7k h ALA 68 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2e7k h ALA 68 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2e7k h ALA 68 CO -0.03 0.04 -0.01 1.25 0.00 0.00 0.00 179.25 180.50 2e7k h LEU 69 N 0.00 -0.03 -1.79 0.00 5.85 -0.07 -3.01 115.31 116.26 2e7k h LEU 69 Ca -0.00 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.30 2e7k h LEU 69 Cb 0.98 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2e7k h LEU 69 CO 0.00 0.69 0.46 1.56 -0.34 0.00 0.00 178.44 180.82 2e7k h GLN 70 N -0.99 0.00 0.03 1.25 4.20 -1.27 0.53 115.11 118.87 2e7k h GLN 70 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 2e7k h GLN 70 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2e7k h GLN 70 CO 0.01 0.00 -1.40 1.49 -0.67 0.00 0.00 178.83 178.25 2e7k h GLU 71 N 0.00 0.07 -0.64 1.46 4.57 -1.62 -3.20 114.58 115.22 2e7k h GLU 71 Ca 0.09 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2e7k h GLU 71 Cb 1.02 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 2e7k h GLU 71 CO -0.00 0.85 0.40 1.37 -1.18 0.00 0.00 179.01 180.44 2e7k h LEU 72 N 0.02 0.77 -0.33 1.64 8.10 0.21 -2.81 115.31 122.90 2e7k h LEU 72 Ca -0.17 -0.05 -0.11 0.00 0.11 0.00 0.00 57.88 57.66 2e7k h LEU 72 Cb 1.92 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.94 2e7k h LEU 72 CO 0.12 0.59 -0.21 -0.07 -4.11 0.00 0.00 178.44 174.77 2e7k h LEU 73 N 0.87 0.76 -0.46 0.17 3.38 -1.64 -2.81 115.31 115.58 2e7k h LEU 73 Ca 0.23 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2e7k h LEU 73 Cb -0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 2e7k h LEU 73 CO -0.04 1.02 -0.38 -0.09 0.09 0.00 0.00 178.44 179.04 2e7k h ARG 74 N 0.50 -0.13 -0.72 1.13 2.43 -1.49 0.12 114.38 116.22 2e7k h ARG 74 Ca 0.07 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2e7k h ARG 74 Cb 0.76 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 2e7k h ARG 74 CO 0.06 -0.09 0.48 -0.91 -1.51 0.00 0.00 179.97 178.00 2e7k h ASN 75 N -0.14 0.80 -1.68 -3.80 2.35 -1.61 0.83 115.58 112.33 2e7k h ASN 75 Ca 0.08 -0.02 -0.67 0.00 -0.55 0.00 0.00 56.30 55.14 2e7k h ASN 75 Cb 0.34 -0.19 0.08 0.00 0.05 0.00 0.00 38.32 38.59 2e7k h ASN 75 CO -0.50 0.56 0.16 0.00 -1.65 0.00 0.00 177.43 176.00 2e7k n ALA 76 N -2.43 -1.46 -2.96 -0.83 0.00 0.42 -4.50 120.51 108.75 2e7k n ALA 76 Ca 0.08 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.91 2e7k n ALA 76 Cb 0.07 -1.94 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 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 -0.08 0.26 0.00 0.00 0.15 -1.26 -3.50 113.70 109.27 2e7k s SER 77 Ca 0.76 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2e7k s SER 77 Cb -0.93 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2e7k s SER 77 CO 0.53 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2e7k n GLY 78 N 1.78 0.41 3.59 9.45 0.00 -1.11 -4.73 105.19 114.58 2e7k n GLY 78 Ca -0.22 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2e7k n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7k s SER 79 N -4.00 6.47 -0.15 1.61 0.15 -1.26 -3.70 113.70 112.82 2e7k s SER 79 Ca 0.00 0.42 -0.02 0.00 0.70 0.00 0.00 55.95 57.05 2e7k s SER 79 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2e7k s SER 79 CO 0.00 -1.40 -0.08 -0.69 1.20 0.00 0.00 173.24 172.27 2e7k s VAL 80 N 4.96 3.44 -0.13 4.45 1.01 -0.88 -4.98 120.40 128.27 2e7k s VAL 80 Ca 0.50 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2e7k s VAL 80 Cb -0.09 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2e7k s VAL 80 CO 0.30 0.50 0.07 -0.63 0.00 0.00 0.00 175.10 175.34 2e7k s ILE 81 N 0.49 4.89 -0.18 2.22 1.09 -1.26 -2.22 121.20 126.23 2e7k s ILE 81 Ca -0.06 -0.02 -0.00 0.00 -1.10 0.00 0.00 60.65 59.47 2e7k s ILE 81 Cb -0.15 -3.13 0.04 0.00 -1.06 0.00 0.00 42.46 38.16 2e7k s ILE 81 CO 0.03 0.57 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.62 2e7k s LEU 82 N -0.55 1.81 -0.57 2.97 1.43 -0.87 -2.52 118.68 120.39 2e7k s LEU 82 Ca 0.11 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.24 2e7k s LEU 82 Cb -0.12 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.16 2e7k s LEU 82 CO 0.02 -0.18 0.83 -0.75 0.23 0.00 0.00 176.35 176.51 2e7k s LYS 83 N 1.57 3.19 0.29 1.70 2.20 -0.89 -1.22 119.74 126.58 2e7k s LYS 83 Ca -0.00 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 2e7k s LYS 83 Cb -0.16 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.01 2e7k s LYS 83 CO -0.08 -1.49 0.32 0.42 -0.36 0.00 0.00 175.35 174.16 2e7k s ILE 84 N 3.48 4.30 -0.23 5.43 -1.09 -0.33 -1.35 121.20 131.41 2e7k s ILE 84 Ca 0.22 -1.21 -0.03 0.00 -2.23 0.00 0.00 60.65 57.40 2e7k s ILE 84 Cb -0.16 -3.45 0.12 0.00 -1.58 0.00 0.00 42.46 37.38 2e7k s ILE 84 CO 0.14 -0.25 0.31 -0.76 -1.23 0.00 0.00 174.94 173.15 2e7k s LEU 85 N -3.99 -0.41 0.28 2.97 1.02 -0.01 -0.97 118.68 117.57 2e7k s LEU 85 Ca 0.38 -0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.47 2e7k s LEU 85 Cb -0.08 0.79 0.55 0.00 0.02 0.00 0.00 46.19 47.47 2e7k s LEU 85 CO 0.28 -0.32 1.51 -1.20 0.02 0.00 0.00 176.35 176.64 2e7k n SER 86 N 5.34 -0.26 -0.10 2.29 7.64 -1.26 -3.71 113.62 123.56 2e7k n SER 86 Ca -0.04 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.49 2e7k n SER 86 Cb 0.50 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2e7k n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7k n GLY 87 N -1.56 0.57 3.55 0.23 0.00 -1.26 -4.24 105.19 102.47 2e7k n GLY 87 Ca 0.18 -0.82 -0.37 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 0.00 2.61 0.41 1.61 0.04 -1.26 -4.97 135.00 133.44 2e7k s PRO 88 Ca 0.00 0.50 -0.23 0.00 0.04 0.00 0.00 61.00 61.32 2e7k s PRO 88 Cb 0.00 -4.47 -0.10 0.00 0.04 0.00 0.00 34.50 29.97 2e7k s PRO 88 CO 0.00 -2.82 0.99 -1.54 0.04 0.00 0.00 177.00 173.67 2e7k s SER 89 N 8.13 6.85 0.05 6.66 1.04 -1.26 -5.07 113.70 130.10 2e7k s SER 89 Ca 0.68 1.85 -0.05 0.00 0.48 0.00 0.00 55.95 58.91 2e7k s SER 89 Cb -0.12 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 2e7k s SER 89 CO 0.18 -0.42 0.08 -0.55 0.98 0.00 0.00 173.24 173.51 2e7k s SER 90 N -1.88 0.26 0.00 7.02 0.15 -1.26 -5.26 113.70 112.73 2e7k s SER 90 Ca 0.60 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2e7k s SER 90 Cb -0.16 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2e7k s SER 90 CO 0.20 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.67