#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 0.20 0.83 1.61 0.15 -1.26 -5.17 113.70 110.06 2e7k s SER 2 Ca 0.00 -1.27 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 2e7k s SER 2 Cb 0.00 0.47 0.09 0.00 -1.71 0.00 0.00 66.02 64.87 2e7k s SER 2 CO 0.00 -0.98 1.12 -0.94 1.20 0.00 0.00 173.24 173.64 2e7k s SER 3 N -3.13 4.28 0.00 5.45 1.04 -1.26 -5.02 113.70 115.07 2e7k s SER 3 Ca 0.33 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2e7k s SER 3 Cb 0.04 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.40 2e7k s SER 3 CO 0.12 -2.08 0.00 0.61 0.98 0.00 0.00 173.24 172.88 2e7k n GLY 4 N -2.41 0.75 3.94 7.32 0.00 -1.26 -5.16 105.19 108.37 2e7k n GLY 4 Ca 0.07 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 2e7k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e7k s SER 5 N 2.00 6.24 -0.05 1.61 0.01 -1.26 -5.05 113.70 117.20 2e7k s SER 5 Ca 0.00 0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.18 2e7k s SER 5 Cb 0.00 -1.84 -0.11 0.00 0.21 0.00 0.00 66.02 64.28 2e7k s SER 5 CO 0.00 -0.00 0.69 0.28 0.41 0.00 0.00 173.24 174.62 2e7k h SER 6 N 1.71 -0.31 -1.54 2.44 0.02 -2.02 -3.48 113.55 110.38 2e7k h SER 6 Ca -0.50 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 2e7k h SER 6 Cb 1.21 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2e7k h SER 6 CO 0.65 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 2e7k n GLY 7 N 0.58 6.21 3.41 -3.77 0.00 -1.26 -4.98 105.19 105.37 2e7k n GLY 7 Ca -0.07 -2.06 -0.45 0.00 0.00 0.00 0.00 46.02 43.44 2e7k n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e7k s ARG 8 N 0.80 3.77 -0.78 1.61 0.52 -0.30 -4.77 118.95 119.79 2e7k s ARG 8 Ca 0.00 -2.26 -0.25 0.00 -0.52 0.00 0.00 55.73 52.69 2e7k s ARG 8 Cb 0.00 -4.79 -0.04 0.00 0.52 0.00 0.00 34.95 30.65 2e7k s ARG 8 CO 0.00 -1.59 1.93 -1.64 0.02 0.00 0.00 175.30 174.02 2e7k s MET 9 N 1.40 2.56 -0.26 3.54 -1.94 -1.25 -3.23 119.30 120.11 2e7k s MET 9 Ca 0.31 0.10 -0.12 0.00 -1.71 0.00 0.00 55.69 54.27 2e7k s MET 9 Cb -0.06 -4.79 -0.05 0.00 2.01 0.00 0.00 34.83 31.94 2e7k s MET 9 CO -0.07 -3.15 0.24 0.08 -0.01 0.00 0.00 175.02 172.11 2e7k s VAL 10 N 9.81 5.29 -0.05 -6.03 1.01 -0.69 -4.85 120.40 124.89 2e7k s VAL 10 Ca 0.70 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2e7k s VAL 10 Cb -0.09 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2e7k s VAL 10 CO 0.08 0.26 0.45 -0.83 0.00 0.00 0.00 175.10 175.06 2e7k s GLY 11 N 1.43 2.46 0.06 4.51 0.00 -1.26 -0.75 107.32 113.76 2e7k s GLY 11 Ca 0.10 -0.19 0.07 0.00 0.00 0.00 0.00 44.72 44.70 2e7k s GLY 11 CO 0.08 0.44 -0.20 -0.42 0.00 0.00 0.00 173.10 173.00 2e7k s ILE 12 N -0.35 1.59 -0.42 0.90 1.09 -0.33 -4.99 121.20 118.69 2e7k s ILE 12 Ca 0.25 -1.26 0.04 0.00 -1.10 0.00 0.00 60.65 58.58 2e7k s ILE 12 Cb -0.16 -1.41 0.46 0.00 -1.06 0.00 0.00 42.46 40.29 2e7k s ILE 12 CO 0.12 0.11 1.48 -1.14 -0.10 0.00 0.00 174.94 175.41 2e7k n ARG 13 N 1.66 3.26 -0.19 2.79 0.63 -1.26 -2.97 116.66 120.58 2e7k n ARG 13 Ca -0.18 -3.85 -0.24 0.00 -0.92 0.00 0.00 57.85 52.66 2e7k n ARG 13 Cb 0.54 -2.27 0.23 0.00 0.45 0.00 0.00 32.46 31.41 2e7k n ARG 13 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2e7k n LYS 14 N -0.79 -4.15 -5.17 -0.14 2.85 -1.26 -4.94 118.16 104.55 2e7k n LYS 14 Ca 0.50 -1.15 -0.32 0.00 -1.05 0.00 0.00 58.31 56.30 2e7k n LYS 14 Cb 0.87 -1.53 -0.16 0.00 -0.65 0.00 0.00 35.03 33.56 2e7k n LYS 14 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2e7k s THR 15 N -1.88 2.24 -0.37 0.58 2.01 -1.26 -4.22 115.64 112.73 2e7k s THR 15 Ca 0.53 -0.99 -0.35 0.00 0.31 0.00 0.00 61.69 61.19 2e7k s THR 15 Cb -0.09 -1.84 -0.15 0.00 0.01 0.00 0.00 72.50 70.43 2e7k s THR 15 CO 0.44 0.56 1.21 0.00 -0.69 0.00 0.00 174.62 176.14 2e7k n ALA 16 N 3.11 -0.94 0.00 7.40 0.00 -1.26 0.65 120.51 129.47 2e7k n ALA 16 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2e7k n ALA 16 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 3.11 3.03 2.55 0.00 0.00 0.23 -5.03 105.19 109.07 2e7k n GLY 17 Ca 0.24 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2e7k n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2e7k n GLU 18 N 0.00 0.00 -4.01 1.61 0.00 0.21 -4.74 120.64 113.71 2e7k n GLU 18 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2e7k n GLU 18 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 31.44 30.44 2e7k n GLU 18 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2e7k s HIS 19 N -0.32 3.30 -0.03 4.31 3.76 -1.26 -4.52 115.29 120.53 2e7k s HIS 19 Ca 0.58 0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 55.60 2e7k s HIS 19 Cb -0.83 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 2e7k s HIS 19 CO 0.42 0.54 -0.04 -0.07 -0.85 0.00 0.00 174.74 174.74 2e7k h LEU 20 N 3.19 0.00 0.00 0.89 4.07 -1.93 -3.42 115.31 118.10 2e7k h LEU 20 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2e7k h LEU 20 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2e7k h LEU 20 CO 0.69 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.84 2e7k n GLY 21 N 1.74 0.66 2.99 0.83 0.00 -1.26 -3.23 105.19 106.92 2e7k n GLY 21 Ca -0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.83 0.07 -0.21 1.61 -7.23 -1.26 0.46 120.40 113.00 2e7k s VAL 22 Ca 0.00 -0.56 -0.05 0.00 -1.81 0.00 0.00 61.98 59.56 2e7k s VAL 22 Cb 0.00 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 2e7k s VAL 22 CO 0.00 -0.31 -0.01 0.42 -0.31 0.00 0.00 175.10 174.89 2e7k s THR 23 N -0.96 3.79 0.00 5.32 -4.23 0.22 -4.94 115.64 114.85 2e7k s THR 23 Ca -0.10 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.02 2e7k s THR 23 Cb -0.06 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2e7k s THR 23 CO -0.00 0.41 0.19 -0.36 -0.54 0.00 0.00 174.62 174.32 2e7k s PHE 24 N 1.25 3.54 -0.15 3.99 0.08 -1.26 0.28 117.98 125.71 2e7k s PHE 24 Ca 0.03 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2e7k s PHE 24 Cb -0.15 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2e7k s PHE 24 CO 0.01 0.64 -0.15 -0.98 -0.10 0.00 0.00 175.22 174.63 2e7k s ARG 25 N -2.03 3.23 -0.48 0.44 1.70 0.92 -4.70 118.95 118.02 2e7k s ARG 25 Ca 0.29 -0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 54.57 2e7k s ARG 25 Cb -0.13 -2.62 0.03 0.00 -0.57 0.00 0.00 34.95 31.67 2e7k s ARG 25 CO 0.20 0.04 0.83 0.54 -1.08 0.00 0.00 175.30 175.83 2e7k s VAL 26 N 0.75 4.58 -0.31 4.99 0.11 -1.26 -1.76 120.40 127.50 2e7k s VAL 26 Ca -0.06 0.33 -0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2e7k s VAL 26 Cb -0.15 -4.39 0.07 0.00 -1.53 0.00 0.00 36.38 30.37 2e7k s VAL 26 CO 0.01 -0.85 0.00 -1.61 -3.33 0.00 0.00 175.10 169.32 2e7k s GLU 27 N 3.46 2.22 0.00 1.54 0.41 -0.97 -4.91 118.70 120.44 2e7k s GLU 27 Ca 0.29 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 2e7k s GLU 27 Cb -0.13 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2e7k s GLU 27 CO 0.21 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 174.69 2e7k n GLY 28 N 4.53 2.07 1.69 -1.39 0.00 -1.26 -3.13 105.19 107.69 2e7k n GLY 28 Ca -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 1.11 3.43 -0.02 0.00 -1.26 -5.13 105.19 103.32 2e7k n GLY 29 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.26 1.53 -0.11 1.61 -1.05 -1.18 -4.98 118.70 114.26 2e7k s GLU 30 Ca 0.09 -1.52 0.03 0.00 -0.15 0.00 0.00 54.97 53.43 2e7k s GLU 30 Cb 0.21 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.30 2e7k s GLU 30 CO -0.06 -0.60 -0.20 -0.51 0.95 0.00 0.00 175.26 174.84 2e7k s LEU 31 N -3.13 1.98 -0.05 1.83 1.43 -1.26 -2.30 118.68 117.17 2e7k s LEU 31 Ca 0.30 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2e7k s LEU 31 Cb 0.02 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.96 2e7k s LEU 31 CO 0.13 0.09 -0.08 -0.69 0.23 0.00 0.00 176.35 176.03 2e7k s VAL 32 N 0.66 0.83 -0.15 -1.59 1.01 -0.72 -2.02 120.40 118.42 2e7k s VAL 32 Ca -0.12 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 2e7k s VAL 32 Cb -0.16 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 2e7k s VAL 32 CO 0.03 0.28 2.10 -0.38 0.00 0.00 0.00 175.10 177.13 2e7k n ILE 33 N 3.83 0.47 0.05 2.22 5.41 -1.21 -0.05 119.36 130.08 2e7k n ILE 33 Ca -0.24 -0.30 -0.22 0.00 1.00 0.00 0.00 62.75 62.99 2e7k n ILE 33 Cb 0.52 -2.27 -0.15 0.00 -0.71 0.00 0.00 39.64 37.03 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 12.63 0.25 -2.58 -1.39 0.00 -0.49 -1.45 119.26 126.22 2e7k h ALA 34 Ca -0.43 -1.22 -0.08 0.00 0.00 0.00 0.00 54.91 53.18 2e7k h ALA 34 Cb 1.26 0.54 -0.16 0.00 0.00 0.00 0.00 17.79 19.44 2e7k h ALA 34 CO 0.96 1.10 -0.21 0.50 0.00 0.00 0.00 179.25 181.60 2e7k s ARG 35 N -2.56 0.88 -0.17 0.00 3.52 -1.05 -4.84 118.95 114.73 2e7k s ARG 35 Ca -0.18 -0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 54.81 2e7k s ARG 35 Cb 0.06 0.38 0.04 0.00 -1.56 0.00 0.00 34.95 33.87 2e7k s ARG 35 CO 0.82 -0.30 -0.06 0.42 -0.81 0.00 0.00 175.30 175.37 2e7k s ILE 36 N -3.02 1.22 -0.26 4.11 1.01 -1.26 -0.61 121.20 122.39 2e7k s ILE 36 Ca -0.02 -0.70 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 2e7k s ILE 36 Cb 0.01 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2e7k s ILE 36 CO -0.06 0.14 1.63 -0.76 0.00 0.00 0.00 174.94 175.89 2e7k s LEU 37 N 1.59 3.79 1.02 2.97 1.02 0.17 -4.97 118.68 124.27 2e7k s LEU 37 Ca 0.00 1.49 -0.17 0.00 0.02 0.00 0.00 54.13 55.47 2e7k s LEU 37 Cb -0.15 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.53 2e7k s LEU 37 CO -0.08 -1.36 -0.15 1.41 0.02 0.00 0.00 176.35 176.19 2e7k n HIS 38 N 8.83 -2.04 -2.93 0.29 8.25 -1.26 -4.29 115.22 122.07 2e7k n HIS 38 Ca 0.19 0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.76 2e7k n HIS 38 Cb 0.46 -1.61 0.01 0.00 1.12 0.00 0.00 29.99 29.97 2e7k n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2e7k n GLY 39 N 2.23 -1.19 0.00 -1.41 0.00 -1.26 -4.99 105.19 98.56 2e7k n GLY 39 Ca 0.02 1.20 0.00 0.00 0.00 0.00 0.00 46.02 47.24 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 -0.41 1.27 0.95 -0.02 0.00 -1.26 -4.99 105.19 100.73 2e7k n GLY 40 Ca 0.09 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 0.04 -0.15 1.61 0.00 -1.20 -4.48 117.12 112.94 2e7k n MET 41 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 57.70 57.65 2e7k n MET 41 Cb 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 33.22 32.68 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 -0.06 1.09 0.19 1.12 2.07 -1.93 0.82 116.25 119.55 2e7k h VAL 42 Ca -0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2e7k h VAL 42 Cb 1.01 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2e7k h VAL 42 CO -0.02 0.11 -0.09 0.00 0.02 0.00 0.00 177.57 177.58 2e7k h ALA 43 N 1.18 -0.25 0.39 1.67 0.00 -1.86 -0.32 119.26 120.07 2e7k h ALA 43 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2e7k h ALA 43 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2e7k h ALA 43 CO -0.06 -0.61 -0.24 1.96 0.00 0.00 0.00 179.25 180.30 2e7k h GLN 44 N -0.32 -0.59 0.29 0.00 4.20 -1.75 -3.18 115.11 113.76 2e7k h GLN 44 Ca -0.03 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2e7k h GLN 44 Cb 0.25 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2e7k h GLN 44 CO 0.04 -0.39 -0.49 1.96 -0.67 0.00 0.00 178.83 179.28 2e7k h GLN 45 N -0.61 -0.81 -0.59 1.46 1.08 -0.82 -3.47 115.11 111.35 2e7k h GLN 45 Ca -0.04 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2e7k h GLN 45 Cb 0.50 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2e7k h GLN 45 CO 0.04 -0.54 0.00 0.41 -0.95 0.00 0.00 178.83 177.79 2e7k n GLY 46 N -1.50 0.88 0.06 3.46 0.00 -0.13 -4.99 105.19 102.97 2e7k n GLY 46 Ca -0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.29 2.88 -5.00 0.99 4.77 -1.26 -5.04 117.00 114.05 2e7k n LEU 47 Ca 0.00 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.73 2e7k n LEU 47 Cb 0.41 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2e7k n LEU 47 CO 0.00 0.68 0.25 -0.76 -1.33 0.00 0.00 177.39 176.24 2e7k s LEU 48 N -5.66 3.45 -0.04 2.23 1.43 -1.26 -5.13 118.68 113.71 2e7k s LEU 48 Ca -0.16 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 2e7k s LEU 48 Cb 0.04 -2.60 0.12 0.00 0.03 0.00 0.00 46.19 43.78 2e7k s LEU 48 CO 0.28 -0.99 1.22 -1.00 0.23 0.00 0.00 176.35 176.09 2e7k s HIS 49 N -2.55 -0.08 -0.18 0.29 3.76 -1.26 -4.95 115.29 110.31 2e7k s HIS 49 Ca 0.57 -0.03 -0.37 0.00 -0.15 0.00 0.00 55.06 55.08 2e7k s HIS 49 Cb -0.10 0.55 -0.13 0.00 1.11 0.00 0.00 32.58 34.01 2e7k s HIS 49 CO 0.36 -0.32 1.83 0.28 -0.85 0.00 0.00 174.74 176.04 2e7k n VAL 50 N -0.38 0.46 0.00 -0.90 0.31 -1.26 -2.86 118.33 113.70 2e7k n VAL 50 Ca -0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2e7k n VAL 50 Cb 0.61 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 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 4.38 1.54 3.10 2.92 0.00 -0.55 -4.94 105.19 111.64 2e7k n GLY 51 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 4.75 -0.06 1.61 1.01 -1.13 -4.66 116.67 116.19 2e7k s ASP 52 Ca 0.00 -1.57 -0.30 0.00 0.71 0.00 0.00 52.55 51.40 2e7k s ASP 52 Cb 0.00 -1.65 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 2e7k s ASP 52 CO 0.00 -0.29 1.14 -0.63 0.21 0.00 0.00 175.17 175.60 2e7k s ILE 53 N 1.12 4.40 -0.23 0.77 1.01 -1.11 -3.32 121.20 123.84 2e7k s ILE 53 Ca -0.02 1.71 -0.14 0.00 0.00 0.00 0.00 60.65 62.19 2e7k s ILE 53 Cb -0.20 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2e7k s ILE 53 CO -0.04 0.02 0.34 -0.63 0.00 0.00 0.00 174.94 174.62 2e7k s ILE 54 N 2.02 5.23 -0.11 2.92 1.01 -0.86 0.78 121.20 132.19 2e7k s ILE 54 Ca 0.54 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 2e7k s ILE 54 Cb -0.23 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2e7k s ILE 54 CO 0.22 0.24 -0.04 0.11 0.00 0.00 0.00 174.94 175.47 2e7k h LYS 55 N 7.66 0.00 -3.61 2.79 1.79 -1.75 -3.41 116.57 120.03 2e7k h LYS 55 Ca -0.35 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.96 2e7k h LYS 55 Cb 1.16 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 2e7k h LYS 55 CO 0.68 0.01 0.02 -2.00 -1.08 0.00 0.00 179.45 177.08 2e7k s GLU 56 N -1.74 2.06 -0.07 3.15 2.12 -1.26 -4.58 118.70 118.38 2e7k s GLU 56 Ca -0.04 -1.61 -0.03 0.00 0.36 0.00 0.00 54.97 53.65 2e7k s GLU 56 Cb 0.01 0.53 0.04 0.00 0.26 0.00 0.00 34.13 34.97 2e7k s GLU 56 CO 0.06 -0.91 0.14 0.08 -0.54 0.00 0.00 175.26 174.10 2e7k s VAL 57 N -2.71 -0.17 -0.76 3.70 1.01 -0.34 -2.11 120.40 119.01 2e7k s VAL 57 Ca 0.24 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2e7k s VAL 57 Cb -0.03 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.19 2e7k s VAL 57 CO 0.16 0.12 0.24 -0.46 0.00 0.00 0.00 175.10 175.17 2e7k n ASN 58 N 4.90 -1.14 -0.82 3.32 0.23 -0.61 0.23 115.26 121.37 2e7k n ASN 58 Ca -0.13 -0.30 -0.03 0.00 -0.53 0.00 0.00 54.58 53.59 2e7k n ASN 58 Cb 0.50 -1.05 0.01 0.00 -2.08 0.00 0.00 39.78 37.16 2e7k n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2e7k n GLY 59 N -0.68 0.76 2.92 4.83 0.00 -1.26 -4.99 105.19 106.77 2e7k n GLY 59 Ca 0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.10 0.06 0.03 1.61 -1.52 0.64 -5.13 119.66 110.25 2e7k s GLN 60 Ca 0.06 0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.21 2e7k s GLN 60 Cb -0.03 0.03 -0.06 0.00 -0.22 0.00 0.00 33.01 32.73 2e7k s GLN 60 CO 0.08 -0.01 1.42 -1.25 -0.25 0.00 0.00 175.29 175.28 2e7k s PRO 61 N -0.02 4.28 0.00 2.91 0.04 -1.26 -1.20 135.00 139.76 2e7k s PRO 61 Ca -0.00 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.20 2e7k s PRO 61 Cb -0.01 -3.50 0.72 0.00 0.04 0.00 0.00 34.50 31.75 2e7k s PRO 61 CO 0.00 -0.56 1.37 1.33 0.04 0.00 0.00 177.00 179.19 2e7k n VAL 62 N 4.50 0.57 -2.28 -0.36 0.24 -1.26 -4.95 118.33 114.78 2e7k n VAL 62 Ca 0.13 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 2e7k n VAL 62 Cb 0.43 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 -0.09 -5.66 0.25 7.63 0.00 -1.26 -4.13 105.19 101.92 2e7k n GLY 63 Ca 0.07 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.25 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 1.91 0.08 -4.67 1.61 2.88 -1.26 -4.18 113.62 110.00 2e7k n SER 64 Ca 0.00 1.24 -0.42 0.00 -1.33 0.00 0.00 58.87 58.35 2e7k n SER 64 Cb 0.00 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 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 -4.83 6.55 0.05 -3.46 1.01 -1.26 -4.63 116.67 110.10 2e7k s ASP 65 Ca -0.08 2.51 -0.19 0.00 0.71 0.00 0.00 52.55 55.50 2e7k s ASP 65 Cb 0.23 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.49 2e7k s ASP 65 CO 0.57 -0.98 1.36 1.55 0.21 0.00 0.00 175.17 177.89 2e7k h PRO 66 N 9.60 0.44 -0.91 8.23 0.13 -1.84 -2.53 132.00 145.12 2e7k h PRO 66 Ca -0.45 -0.23 0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2e7k h PRO 66 Cb 1.21 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2e7k h PRO 66 CO 0.94 0.80 0.59 0.00 -0.23 0.00 0.00 178.00 180.10 2e7k h ARG 67 N 0.10 0.96 -0.07 0.86 3.08 -1.91 -1.12 114.38 116.28 2e7k h ARG 67 Ca 0.03 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2e7k h ARG 67 Cb 0.71 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2e7k h ARG 67 CO 0.04 0.64 -0.60 0.00 -1.07 0.00 0.00 179.97 178.98 2e7k h ALA 68 N 1.52 0.84 0.60 0.04 0.00 -1.90 -3.26 119.26 117.10 2e7k h ALA 68 Ca 0.40 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2e7k h ALA 68 Cb 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2e7k h ALA 68 CO -0.16 0.73 -0.29 1.25 0.00 0.00 0.00 179.25 180.78 2e7k h LEU 69 N 0.19 -0.69 -1.95 0.00 5.85 -0.77 -1.87 115.31 116.08 2e7k h LEU 69 Ca -0.01 0.02 0.48 0.00 0.84 0.00 0.00 57.88 59.22 2e7k h LEU 69 Cb 1.11 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 2e7k h LEU 69 CO 0.09 -0.48 1.17 1.56 -0.34 0.00 0.00 178.44 180.44 2e7k h GLN 70 N -0.83 0.01 0.00 1.25 4.20 -1.55 1.58 115.11 119.77 2e7k h GLN 70 Ca -0.08 -0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.41 2e7k h GLN 70 Cb 0.62 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2e7k h GLN 70 CO 0.14 0.01 -0.93 1.49 -0.67 0.00 0.00 178.83 178.87 2e7k h GLU 71 N 0.01 0.36 -0.85 1.46 4.81 -1.50 -3.07 114.58 115.80 2e7k h GLU 71 Ca 0.80 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2e7k h GLU 71 Cb 3.13 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 32.58 2e7k h GLU 71 CO -0.04 1.07 0.44 1.37 -0.73 0.00 0.00 179.01 181.12 2e7k h LEU 72 N 0.20 1.08 -0.38 1.64 8.10 0.31 -2.76 115.31 123.50 2e7k h LEU 72 Ca -0.07 -0.11 -0.07 0.00 0.11 0.00 0.00 57.88 57.74 2e7k h LEU 72 Cb 1.56 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.49 2e7k h LEU 72 CO 0.16 0.88 -0.03 -0.07 -4.11 0.00 0.00 178.44 175.27 2e7k h LEU 73 N 1.20 0.69 -0.80 0.17 3.38 -1.49 -2.47 115.31 115.99 2e7k h LEU 73 Ca 0.30 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2e7k h LEU 73 Cb 0.06 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.50 2e7k h LEU 73 CO -0.04 0.86 -0.43 -0.09 0.09 0.00 0.00 178.44 178.82 2e7k h ARG 74 N 0.51 -0.10 -0.35 1.13 2.43 -1.39 0.14 114.38 116.76 2e7k h ARG 74 Ca 0.10 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2e7k h ARG 74 Cb 0.52 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2e7k h ARG 74 CO 0.03 -0.07 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.48 2e7k h ASN 75 N -0.10 0.64 -1.13 -3.80 2.35 -1.55 0.67 115.58 112.65 2e7k h ASN 75 Ca 0.24 -0.33 -0.82 0.00 -0.55 0.00 0.00 56.30 54.84 2e7k h ASN 75 Cb 0.55 -0.17 0.03 0.00 0.05 0.00 0.00 38.32 38.77 2e7k h ASN 75 CO -0.84 0.82 0.51 0.00 -1.65 0.00 0.00 177.43 176.28 2e7k n ALA 76 N -2.40 -1.85 -2.42 -0.83 0.00 0.04 -4.32 120.51 108.73 2e7k n ALA 76 Ca -0.02 0.52 -0.23 0.00 0.00 0.00 0.00 53.44 53.71 2e7k n ALA 76 Cb 0.30 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 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 1.97 2.27 0.97 0.00 0.15 -1.26 -4.47 113.70 113.34 2e7k s SER 77 Ca 0.98 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2e7k s SER 77 Cb -1.33 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 2e7k s SER 77 CO 0.69 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2e7k n GLY 78 N -0.77 2.41 3.65 9.45 0.00 -1.26 -4.53 105.19 114.14 2e7k n GLY 78 Ca -0.01 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2e7k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7k s SER 79 N -4.00 6.76 -0.03 1.61 1.04 -1.26 -4.40 113.70 113.41 2e7k s SER 79 Ca 0.00 1.72 0.03 0.00 0.48 0.00 0.00 55.95 58.18 2e7k s SER 79 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 2e7k s SER 79 CO 0.00 -0.92 -0.13 -0.69 0.98 0.00 0.00 173.24 172.48 2e7k s VAL 80 N 4.01 1.08 -0.13 5.02 1.01 -1.16 -5.00 120.40 125.24 2e7k s VAL 80 Ca 0.61 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2e7k s VAL 80 Cb -0.24 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2e7k s VAL 80 CO 0.21 0.32 -0.14 -0.63 0.00 0.00 0.00 175.10 174.87 2e7k s ILE 81 N 0.08 2.95 -0.32 2.22 -1.09 -1.26 -1.19 121.20 122.59 2e7k s ILE 81 Ca -0.03 -0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 2e7k s ILE 81 Cb -0.09 -2.24 0.04 0.00 -1.58 0.00 0.00 42.46 38.59 2e7k s ILE 81 CO 0.01 0.52 0.07 -0.76 -1.23 0.00 0.00 174.94 173.55 2e7k s LEU 82 N 0.45 4.07 -0.12 2.97 1.43 0.07 -1.57 118.68 125.97 2e7k s LEU 82 Ca -0.10 -1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 51.69 2e7k s LEU 82 Cb -0.16 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2e7k s LEU 82 CO 0.05 -0.28 0.73 -0.75 0.23 0.00 0.00 176.35 176.33 2e7k s LYS 83 N 1.38 4.35 0.24 1.70 2.20 -0.90 -1.71 119.74 127.00 2e7k s LYS 83 Ca -0.02 0.87 0.12 0.00 -0.36 0.00 0.00 55.97 56.58 2e7k s LYS 83 Cb -0.19 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2e7k s LYS 83 CO 0.01 -0.12 -0.22 0.42 -0.36 0.00 0.00 175.35 175.08 2e7k s ILE 84 N 1.45 2.42 0.06 5.43 -1.09 -1.20 -2.11 121.20 126.16 2e7k s ILE 84 Ca 0.36 -2.22 0.01 0.00 -2.23 0.00 0.00 60.65 56.57 2e7k s ILE 84 Cb -0.17 -2.21 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 2e7k s ILE 84 CO 0.15 -0.26 -0.05 -0.76 -1.23 0.00 0.00 174.94 172.79 2e7k s LEU 85 N -3.09 2.42 0.46 2.97 1.43 0.23 -1.14 118.68 121.96 2e7k s LEU 85 Ca 0.25 -0.84 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 2e7k s LEU 85 Cb -0.06 0.00 -0.02 0.00 0.03 0.00 0.00 46.19 46.14 2e7k s LEU 85 CO 0.12 -0.43 0.73 -0.94 0.23 0.00 0.00 176.35 176.07 2e7k s SER 86 N -2.50 6.09 0.00 2.29 1.04 -1.26 -2.74 113.70 116.62 2e7k s SER 86 Ca 0.02 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2e7k s SER 86 Cb 0.01 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2e7k s SER 86 CO -0.05 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2e7k n GLY 87 N -2.17 1.04 3.61 7.32 0.00 -1.26 -4.89 105.19 108.84 2e7k n GLY 87 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 1.72 3.58 -0.07 1.61 0.04 -1.26 -4.99 135.00 135.63 2e7k s PRO 88 Ca 0.00 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.52 2e7k s PRO 88 Cb 0.00 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.46 2e7k s PRO 88 CO 0.00 -1.56 -0.09 -1.54 0.04 0.00 0.00 177.00 173.85 2e7k s SER 89 N 4.93 1.63 -0.42 6.66 1.04 -1.26 -4.93 113.70 121.35 2e7k s SER 89 Ca 0.73 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.65 2e7k s SER 89 Cb -0.22 -0.72 0.02 0.00 0.10 0.00 0.00 66.02 65.20 2e7k s SER 89 CO 0.32 -0.02 0.96 -0.55 0.98 0.00 0.00 173.24 174.92 2e7k s SER 90 N 0.96 6.61 0.00 7.02 0.15 -1.26 -5.19 113.70 121.99 2e7k s SER 90 Ca -0.09 0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2e7k s SER 90 Cb -0.15 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2e7k s SER 90 CO 0.00 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.06