#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p n SER 2 N 0.00 0.79 -4.70 1.61 7.64 -1.26 -4.82 113.62 112.88 2e6p n SER 2 Ca 0.00 1.16 -0.40 0.00 1.01 0.00 0.00 58.87 60.64 2e6p n SER 2 Cb 0.00 -0.96 0.02 0.00 -1.01 0.00 0.00 64.21 62.26 2e6p n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e6p n SER 3 N 2.76 2.34 -4.74 6.43 2.88 -1.26 -4.90 113.62 117.13 2e6p n SER 3 Ca 0.24 1.05 -0.42 0.00 -1.33 0.00 0.00 58.87 58.41 2e6p n SER 3 Cb 0.05 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 61.99 2e6p n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e6p s GLY 4 N -0.68 2.16 -0.10 0.46 0.00 -1.26 -4.95 107.32 102.95 2e6p s GLY 4 Ca 0.64 1.32 -0.18 0.00 0.00 0.00 0.00 44.72 46.51 2e6p s GLY 4 CO 0.55 2.35 0.58 1.76 0.00 0.00 0.00 173.10 178.34 2e6p h SER 5 N 5.47 -0.06 0.00 1.64 0.02 -2.00 -3.45 113.55 115.16 2e6p h SER 5 Ca -0.45 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2e6p h SER 5 Cb 1.21 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2e6p h SER 5 CO 0.81 0.64 -0.76 -0.24 -1.14 0.00 0.00 176.83 176.14 2e6p n SER 6 N -4.77 0.66 -3.48 3.07 2.88 -1.26 -5.04 113.62 105.68 2e6p n SER 6 Ca -0.06 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.30 2e6p n SER 6 Cb 0.27 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.60 2e6p n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e6p s GLY 7 N -4.73 -0.01 -0.02 0.46 0.00 -1.26 -4.89 107.32 96.88 2e6p s GLY 7 Ca 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 2e6p s GLY 7 CO 0.00 2.20 1.27 -0.56 0.00 0.00 0.00 173.10 176.01 2e6p h PRO 8 N 8.31 0.02 -5.12 2.90 0.13 -1.96 -3.43 132.00 132.84 2e6p h PRO 8 Ca -0.17 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.32 2e6p h PRO 8 Cb 1.14 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.08 2e6p h PRO 8 CO 0.29 0.50 -0.59 0.54 -0.23 0.00 0.00 178.00 178.51 2e6p s VAL 9 N -4.26 4.56 -0.08 1.56 0.11 -1.26 -4.91 120.40 116.13 2e6p s VAL 9 Ca -0.16 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2e6p s VAL 9 Cb 0.02 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.77 2e6p s VAL 9 CO 0.68 0.40 -0.23 -1.38 -3.33 0.00 0.00 175.10 171.23 2e6p s HIS 10 N 0.99 2.52 0.17 1.54 -3.43 -1.26 -4.40 115.29 111.42 2e6p s HIS 10 Ca 0.04 -0.80 -0.30 0.00 -0.80 0.00 0.00 55.06 53.19 2e6p s HIS 10 Cb -0.14 -1.66 -0.08 0.00 -1.43 0.00 0.00 32.58 29.27 2e6p s HIS 10 CO 0.03 -0.27 1.23 0.42 -2.00 0.00 0.00 174.74 174.15 2e6p s ILE 11 N 0.03 3.55 -0.14 -5.38 1.01 -1.26 -1.48 121.20 117.54 2e6p s ILE 11 Ca -0.09 1.26 0.02 0.00 0.00 0.00 0.00 60.65 61.84 2e6p s ILE 11 Cb -0.15 -3.80 -0.24 0.00 0.01 0.00 0.00 42.46 38.28 2e6p s ILE 11 CO 0.06 0.18 0.28 0.18 0.00 0.00 0.00 174.94 175.63 2e6p n LEU 12 N 2.82 2.07 -3.70 2.97 4.77 -1.17 -4.92 117.00 119.85 2e6p n LEU 12 Ca 0.06 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 2e6p n LEU 12 Cb 0.44 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2e6p n LEU 12 CO 0.56 0.74 0.19 -0.55 -1.33 0.00 0.00 177.39 177.00 2e6p s SER 13 N -6.58 -0.51 0.58 -1.43 0.15 -1.26 -3.89 113.70 100.76 2e6p s SER 13 Ca -0.20 0.94 -0.18 0.00 0.70 0.00 0.00 55.95 57.21 2e6p s SER 13 Cb 0.07 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.30 2e6p s SER 13 CO 0.75 -0.22 1.12 -2.16 1.20 0.00 0.00 173.24 173.94 2e6p s PRO 14 N 0.08 3.16 0.27 5.44 0.04 -1.26 -0.16 135.00 142.56 2e6p s PRO 14 Ca -0.02 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2e6p s PRO 14 Cb -0.03 -1.99 0.37 0.00 0.04 0.00 0.00 34.50 32.89 2e6p s PRO 14 CO 0.01 -0.99 1.66 1.96 0.04 0.00 0.00 177.00 179.68 2e6p h GLN 15 N 0.78 0.32 -4.23 4.56 4.20 -1.92 -3.47 115.11 115.36 2e6p h GLN 15 Ca -0.49 -0.16 -0.27 0.00 0.06 0.00 0.00 58.65 57.79 2e6p h GLN 15 Cb 1.26 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.94 2e6p h GLN 15 CO 0.56 0.70 -0.28 -0.51 -0.67 0.00 0.00 178.83 178.62 2e6p s ASP 16 N -6.87 0.79 0.40 1.46 1.01 -1.26 -5.09 116.67 107.11 2e6p s ASP 16 Ca -0.05 -1.44 -0.24 0.00 0.71 0.00 0.00 52.55 51.53 2e6p s ASP 16 Cb 0.13 0.60 -0.12 0.00 1.01 0.00 0.00 42.92 44.54 2e6p s ASP 16 CO 0.79 -1.18 0.87 1.17 0.21 0.00 0.00 175.17 177.02 2e6p n LYS 17 N -0.51 1.09 -4.67 8.23 3.00 -1.26 -4.85 118.16 119.19 2e6p n LYS 17 Ca 0.02 0.39 -0.30 0.00 -0.00 0.00 0.00 58.31 58.42 2e6p n LYS 17 Cb 0.62 -1.84 -0.09 0.00 0.00 0.00 0.00 35.03 33.72 2e6p n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2e6p s VAL 18 N -1.29 1.51 -0.02 3.15 -7.23 -1.23 -5.02 120.40 110.27 2e6p s VAL 18 Ca 0.63 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2e6p s VAL 18 Cb -0.60 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 33.79 2e6p s VAL 18 CO 0.57 0.00 0.02 -0.55 -0.31 0.00 0.00 175.10 174.83 2e6p s SER 19 N -3.77 0.08 -0.05 4.85 0.15 -1.26 -1.89 113.70 111.81 2e6p s SER 19 Ca 0.21 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 2e6p s SER 19 Cb 0.06 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2e6p s SER 19 CO 0.11 -0.10 0.23 -0.76 1.20 0.00 0.00 173.24 173.91 2e6p s LEU 20 N 0.86 1.15 0.13 3.45 1.43 0.16 -4.95 118.68 120.92 2e6p s LEU 20 Ca -0.07 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2e6p s LEU 20 Cb -0.11 0.87 -0.04 0.00 0.03 0.00 0.00 46.19 46.94 2e6p s LEU 20 CO -0.02 -0.22 -0.20 -0.89 0.23 0.00 0.00 176.35 175.25 2e6p s THR 21 N -0.50 1.74 0.33 5.49 2.01 -1.26 -0.73 115.64 122.73 2e6p s THR 21 Ca -0.06 -1.69 -0.12 0.00 0.31 0.00 0.00 61.69 60.13 2e6p s THR 21 Cb -0.04 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.83 2e6p s THR 21 CO 0.01 -0.17 0.64 -0.36 -0.69 0.00 0.00 174.62 174.06 2e6p s PHE 22 N -1.52 0.38 -0.04 4.92 0.08 0.48 -4.90 117.98 117.38 2e6p s PHE 22 Ca 0.10 -0.85 0.03 0.00 0.12 0.00 0.00 56.93 56.34 2e6p s PHE 22 Cb -0.08 0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 42.79 2e6p s PHE 22 CO 0.05 -1.30 -0.13 0.99 -0.10 0.00 0.00 175.22 174.73 2e6p s THR 23 N -3.05 3.18 0.24 0.64 2.01 -1.26 -1.21 115.64 116.20 2e6p s THR 23 Ca 0.20 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 2e6p s THR 23 Cb -0.03 -2.27 -0.16 0.00 0.01 0.00 0.00 72.50 70.05 2e6p s THR 23 CO 0.13 0.56 0.75 0.41 -0.69 0.00 0.00 174.62 175.77 2e6p n THR 24 N 2.18 2.00 -2.58 -0.82 -1.04 -1.15 -2.22 114.28 110.65 2e6p n THR 24 Ca -0.17 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.27 2e6p n THR 24 Cb 0.52 -0.47 0.01 0.00 -1.82 0.00 0.00 70.33 68.58 2e6p n THR 24 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2e6p n SER 25 N 1.63 -3.00 -4.76 8.00 2.88 -0.61 -4.84 113.62 112.93 2e6p n SER 25 Ca 0.14 -0.10 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 2e6p n SER 25 Cb 0.28 -1.82 -0.07 0.00 -0.75 0.00 0.00 64.21 61.85 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2e6p s GLU 26 N -5.01 2.22 -0.23 -1.46 0.41 -0.94 -4.80 118.70 108.88 2e6p s GLU 26 Ca 0.11 -2.43 -0.07 0.00 -0.41 0.00 0.00 54.97 52.17 2e6p s GLU 26 Cb -0.05 -1.49 -0.03 0.00 -1.78 0.00 0.00 34.13 30.78 2e6p s GLU 26 CO 0.14 -0.40 0.05 0.50 -0.49 0.00 0.00 175.26 175.06 2e6p s ARG 27 N -3.89 3.66 -0.14 1.61 3.52 -1.26 -0.20 118.95 122.26 2e6p s ARG 27 Ca 0.03 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2e6p s ARG 27 Cb 0.01 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2e6p s ARG 27 CO 0.01 -0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.29 2e6p s VAL 28 N 1.37 2.42 -0.15 7.11 1.01 -0.90 -4.96 120.40 126.29 2e6p s VAL 28 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2e6p s VAL 28 Cb -0.15 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2e6p s VAL 28 CO 0.03 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 175.00 2e6p s VAL 29 N 0.68 0.45 0.46 2.92 1.01 -1.26 0.57 120.40 125.23 2e6p s VAL 29 Ca -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2e6p s VAL 29 Cb -0.16 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.47 2e6p s VAL 29 CO 0.02 -0.06 0.63 0.18 0.00 0.00 0.00 175.10 175.86 2e6p n LEU 30 N 5.09 0.00 -3.63 3.92 4.77 -0.38 -4.92 117.00 121.85 2e6p n LEU 30 Ca -0.08 -0.92 -0.12 0.00 -0.03 0.00 0.00 56.01 54.86 2e6p n LEU 30 Cb 0.48 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2e6p n LEU 30 CO 0.12 -0.90 0.41 -0.89 -1.33 0.00 0.00 177.39 174.80 2e6p s THR 31 N -2.11 0.00 -0.04 -5.08 2.01 -1.26 -4.02 115.64 105.14 2e6p s THR 31 Ca 0.38 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.28 2e6p s THR 31 Cb -0.01 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2e6p s THR 31 CO 0.26 0.00 0.22 0.00 -0.69 0.00 0.00 174.62 174.41 2e6p s GLU 33 N -0.80 1.47 0.32 0.00 2.12 0.77 -0.47 118.70 122.11 2e6p s GLU 33 Ca -0.09 -1.55 0.03 0.00 0.36 0.00 0.00 54.97 53.72 2e6p s GLU 33 Cb -0.05 -1.63 -0.06 0.00 0.26 0.00 0.00 34.13 32.65 2e6p s GLU 33 CO 0.02 0.33 0.07 -0.51 -0.54 0.00 0.00 175.26 174.63 2e6p s LEU 34 N -2.91 2.09 0.06 2.70 1.43 0.71 -3.07 118.68 119.70 2e6p s LEU 34 Ca 0.22 -1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 51.92 2e6p s LEU 34 Cb -0.06 -0.31 -0.27 0.00 0.03 0.00 0.00 46.19 45.58 2e6p s LEU 34 CO 0.10 -0.63 1.09 -1.28 0.23 0.00 0.00 176.35 175.86 2e6p h SER 35 N 2.15 0.32 -4.02 2.29 0.87 -1.59 -3.43 113.55 110.15 2e6p h SER 35 Ca -0.40 -0.37 -0.68 0.00 -1.23 0.00 0.00 61.79 59.11 2e6p h SER 35 Cb 1.25 -0.10 -0.23 0.00 -0.44 0.00 0.00 62.40 62.87 2e6p h SER 35 CO 0.68 1.29 -0.87 0.00 -0.53 0.00 0.00 176.83 177.40 2e6p s ARG 36 N -2.66 1.48 0.73 2.24 1.70 -1.26 -4.99 118.95 116.19 2e6p s ARG 36 Ca -0.04 -1.28 -0.06 0.00 -0.47 0.00 0.00 55.73 53.87 2e6p s ARG 36 Cb 0.08 -1.89 0.09 0.00 -0.57 0.00 0.00 34.95 32.65 2e6p s ARG 36 CO 0.86 0.46 1.03 0.54 -1.08 0.00 0.00 175.30 177.12 2e6p s VAL 37 N -1.00 2.24 -1.47 4.99 0.11 -1.26 -4.35 120.40 119.67 2e6p s VAL 37 Ca 0.13 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2e6p s VAL 37 Cb -0.10 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 31.84 2e6p s VAL 37 CO 0.05 0.00 0.43 -0.90 -3.33 0.00 0.00 175.10 171.35 2e6p n ASP 38 N -2.98 -0.64 -4.48 3.54 5.75 -1.08 -4.83 116.55 111.84 2e6p n ASP 38 Ca 0.10 -1.04 -0.33 0.00 -0.01 0.00 0.00 54.79 53.51 2e6p n ASP 38 Cb 0.60 -2.85 -0.13 0.00 -1.03 0.00 0.00 41.12 37.71 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2e6p s PHE 39 N -3.91 2.74 0.65 2.11 2.19 -1.20 -5.06 117.98 115.50 2e6p s PHE 39 Ca 0.12 -0.19 -0.15 0.00 0.33 0.00 0.00 56.93 57.04 2e6p s PHE 39 Cb -0.06 -1.66 -0.00 0.00 -1.31 0.00 0.00 43.02 39.98 2e6p s PHE 39 CO 0.91 0.16 1.11 -1.25 1.83 0.00 0.00 175.22 177.98 2e6p s PRO 40 N -0.62 2.83 -0.23 10.12 0.04 -1.26 -4.93 135.00 140.95 2e6p s PRO 40 Ca 0.09 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 2e6p s PRO 40 Cb -0.11 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.64 2e6p s PRO 40 CO 0.01 -1.23 1.20 0.00 0.04 0.00 0.00 177.00 177.02 2e6p s ALA 41 N -2.30 -2.04 0.02 8.56 0.00 -1.26 -4.57 121.76 120.18 2e6p s ALA 41 Ca 0.67 1.75 0.04 0.00 0.00 0.00 0.00 51.96 54.43 2e6p s ALA 41 Cb -0.21 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2e6p s ALA 41 CO 0.41 -0.27 -0.11 0.99 0.00 0.00 0.00 175.76 176.77 2e6p s THR 42 N -1.03 0.89 0.04 0.00 2.01 0.55 -4.98 115.64 113.12 2e6p s THR 42 Ca 0.04 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 2e6p s THR 42 Cb -0.01 -0.80 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 2e6p s THR 42 CO -0.04 0.02 0.52 0.26 -0.69 0.00 0.00 174.62 174.69 2e6p s TRP 43 N -0.70 3.76 -0.01 4.92 0.52 -1.26 -2.04 118.94 124.14 2e6p s TRP 43 Ca 0.01 1.17 0.03 0.00 0.02 0.00 0.00 56.10 57.33 2e6p s TRP 43 Cb -0.07 -2.45 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 2e6p s TRP 43 CO 0.01 0.57 -0.10 0.71 0.02 0.00 0.00 176.95 178.16 2e6p s TYR 44 N -0.95 0.87 -0.11 -1.98 2.02 0.95 -2.68 117.35 115.46 2e6p s TYR 44 Ca 0.27 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 2e6p s TYR 44 Cb -0.18 -0.56 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 2e6p s TYR 44 CO 0.17 -0.01 -0.18 0.21 -1.57 0.00 0.00 175.55 174.16 2e6p s LYS 45 N -0.25 2.53 -1.44 -0.62 2.20 0.10 -0.25 119.74 122.01 2e6p s LYS 45 Ca 0.04 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 2e6p s LYS 45 Cb -0.04 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 2e6p s LYS 45 CO -0.00 -0.01 0.06 -3.47 -0.36 0.00 0.00 175.35 171.57 2e6p n ASP 46 N 4.04 -4.99 -0.24 1.43 2.03 -0.96 -0.50 116.55 117.36 2e6p n ASP 46 Ca -0.20 0.04 -0.03 0.00 0.52 0.00 0.00 54.79 55.13 2e6p n ASP 46 Cb 0.52 -4.18 -0.01 0.00 -0.72 0.00 0.00 41.12 36.73 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e6p n GLY 47 N -0.96 0.48 3.18 0.27 0.00 -1.26 -5.04 105.19 101.86 2e6p n GLY 47 Ca -0.19 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 2e6p n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e6p s GLN 48 N -2.84 0.93 0.11 1.61 -1.52 0.35 -5.12 119.66 113.18 2e6p s GLN 48 Ca 0.00 -0.92 -0.31 0.00 -1.95 0.00 0.00 55.36 52.18 2e6p s GLN 48 Cb 0.00 -0.99 -0.07 0.00 -0.22 0.00 0.00 33.01 31.73 2e6p s GLN 48 CO 0.00 0.23 1.32 0.21 -0.25 0.00 0.00 175.29 176.80 2e6p s LYS 49 N -1.54 4.37 0.53 2.91 2.20 -1.26 0.03 119.74 126.97 2e6p s LYS 49 Ca 0.01 1.97 -0.12 0.00 -0.36 0.00 0.00 55.97 57.47 2e6p s LYS 49 Cb -0.09 -3.27 -0.06 0.00 -1.51 0.00 0.00 37.83 32.90 2e6p s LYS 49 CO 0.02 -0.35 0.94 0.14 -0.36 0.00 0.00 175.35 175.74 2e6p s VAL 50 N 0.96 4.69 -0.19 4.02 -7.23 -1.09 -4.86 120.40 116.69 2e6p s VAL 50 Ca 0.62 0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 61.60 2e6p s VAL 50 Cb -0.34 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 32.78 2e6p s VAL 50 CO 0.31 -0.85 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.54 2e6p s GLU 51 N -4.52 3.61 -0.33 4.82 2.12 -1.26 -4.98 118.70 118.17 2e6p s GLU 51 Ca 0.55 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 2e6p s GLU 51 Cb -0.10 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.27 2e6p s GLU 51 CO 0.41 0.06 1.23 -1.21 -0.54 0.00 0.00 175.26 175.21 2e6p s GLU 52 N 0.85 3.92 0.23 4.30 2.02 -1.26 -4.66 118.70 124.09 2e6p s GLU 52 Ca 0.00 1.11 -0.05 0.00 0.02 0.00 0.00 54.97 56.05 2e6p s GLU 52 Cb -0.14 -3.85 0.02 0.00 0.10 0.00 0.00 34.13 30.25 2e6p s GLU 52 CO 0.02 -1.12 0.38 0.45 0.02 0.00 0.00 175.26 175.01 2e6p n SER 53 N 7.51 -1.08 -0.14 -0.19 2.88 -0.56 -4.97 113.62 117.06 2e6p n SER 53 Ca 0.14 -2.08 0.05 0.00 -1.33 0.00 0.00 58.87 55.65 2e6p n SER 53 Cb 0.47 1.90 0.36 0.00 -0.75 0.00 0.00 64.21 66.19 2e6p n SER 53 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2e6p h GLU 54 N 0.00 0.72 -0.00 -1.46 4.11 -2.02 0.99 114.58 116.92 2e6p h GLU 54 Ca -0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.20 2e6p h GLU 54 Cb 0.74 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2e6p h GLU 54 CO 0.24 0.47 -0.04 1.28 0.07 0.00 0.00 179.01 181.04 2e6p n LEU 55 N -4.47 0.06 -3.56 3.06 4.77 -1.26 -4.58 117.00 111.03 2e6p n LEU 55 Ca 0.08 0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 56.16 2e6p n LEU 55 Cb 0.16 -0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 2e6p n LEU 55 CO 0.35 0.01 -0.31 -0.22 -1.33 0.00 0.00 177.39 175.89 2e6p s LEU 56 N -2.79 0.34 -0.07 2.23 0.20 0.34 -4.38 118.68 114.55 2e6p s LEU 56 Ca 0.21 -0.83 -0.04 0.00 0.69 0.00 0.00 54.13 54.15 2e6p s LEU 56 Cb 0.20 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.74 2e6p s LEU 56 CO 0.51 -0.38 0.11 -0.69 -0.29 0.00 0.00 176.35 175.61 2e6p s VAL 57 N 2.16 5.14 -0.27 1.68 1.01 -0.65 -1.50 120.40 127.97 2e6p s VAL 57 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2e6p s VAL 57 Cb -0.16 -3.27 0.08 0.00 0.00 0.00 0.00 36.38 33.03 2e6p s VAL 57 CO -0.21 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 174.77 2e6p s VAL 58 N -1.08 0.98 -0.13 2.92 1.01 -1.26 -1.32 120.40 121.51 2e6p s VAL 58 Ca 0.18 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 2e6p s VAL 58 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2e6p s VAL 58 CO 0.08 -0.44 0.16 -0.54 0.00 0.00 0.00 175.10 174.36 2e6p s LYS 59 N 1.60 3.66 -0.20 2.72 -0.14 -0.66 -5.01 119.74 121.72 2e6p s LYS 59 Ca 0.04 -0.10 -0.03 0.00 -1.36 0.00 0.00 55.97 54.51 2e6p s LYS 59 Cb -0.18 -3.25 0.06 0.00 -1.68 0.00 0.00 37.83 32.79 2e6p s LYS 59 CO -0.16 0.65 0.05 1.41 -0.76 0.00 0.00 175.35 176.54 2e6p s MET 60 N -0.68 0.50 -0.93 1.68 -2.45 -1.26 -1.80 119.30 114.36 2e6p s MET 60 Ca 0.14 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 2e6p s MET 60 Cb -0.12 -2.01 0.33 0.00 1.25 0.00 0.00 34.83 34.27 2e6p s MET 60 CO 0.03 -0.67 1.65 -0.25 1.05 0.00 0.00 175.02 176.83 2e6p n ASP 61 N 5.10 6.76 0.00 1.11 9.92 -0.42 -4.96 116.55 134.07 2e6p n ASP 61 Ca -0.08 -3.69 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 2e6p n ASP 61 Cb 0.47 -1.04 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 2e6p n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2e6p n GLY 62 N -0.11 1.65 0.57 0.44 0.00 -1.26 -3.52 105.19 102.96 2e6p n GLY 62 Ca 0.44 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2e6p n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2e6p n ARG 63 N 0.00 1.41 -3.69 1.61 1.85 -1.26 -2.65 116.66 113.93 2e6p n ARG 63 Ca 0.00 -1.53 -0.38 0.00 -1.00 0.00 0.00 57.85 54.94 2e6p n ARG 63 Cb 0.00 -1.26 -0.11 0.00 -1.05 0.00 0.00 32.46 30.04 2e6p n ARG 63 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2e6p s LYS 64 N -1.03 2.45 -0.18 2.89 1.02 -1.23 -0.21 119.74 123.45 2e6p s LYS 64 Ca 0.18 -1.50 -0.06 0.00 0.02 0.00 0.00 55.97 54.62 2e6p s LYS 64 Cb 0.11 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 2e6p s LYS 64 CO 0.16 -0.92 0.02 -1.01 -0.92 0.00 0.00 175.35 172.68 2e6p s HIS 65 N 1.34 3.14 -0.03 3.18 3.76 0.38 -1.29 115.29 125.75 2e6p s HIS 65 Ca 0.03 -0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 54.77 2e6p s HIS 65 Cb -0.22 -2.04 0.01 0.00 1.11 0.00 0.00 32.58 31.44 2e6p s HIS 65 CO 0.00 0.03 0.09 -0.98 -0.85 0.00 0.00 174.74 173.03 2e6p s ARG 66 N 0.47 0.10 -0.25 1.40 1.70 -0.74 0.68 118.95 122.31 2e6p s ARG 66 Ca 0.00 0.13 -0.06 0.00 -0.47 0.00 0.00 55.73 55.33 2e6p s ARG 66 Cb -0.13 0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.27 2e6p s ARG 66 CO 0.02 -0.02 0.04 -1.17 -1.08 0.00 0.00 175.30 173.09 2e6p s LEU 67 N 0.09 3.35 0.08 -1.89 0.20 -1.26 -1.65 118.68 117.60 2e6p s LEU 67 Ca -0.00 -0.30 0.01 0.00 0.69 0.00 0.00 54.13 54.53 2e6p s LEU 67 Cb -0.01 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2e6p s LEU 67 CO -0.00 -0.05 0.21 -0.63 -0.29 0.00 0.00 176.35 175.59 2e6p s ILE 68 N 1.57 5.28 -0.06 6.68 1.01 -0.44 -1.24 121.20 134.00 2e6p s ILE 68 Ca 0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 2e6p s ILE 68 Cb -0.15 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.75 2e6p s ILE 68 CO 0.02 0.10 0.04 -0.76 0.00 0.00 0.00 174.94 174.34 2e6p s LEU 69 N -2.62 0.31 0.19 2.97 1.43 0.19 -1.63 118.68 119.52 2e6p s LEU 69 Ca 0.34 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2e6p s LEU 69 Cb -0.13 -0.25 0.11 0.00 0.03 0.00 0.00 46.19 45.96 2e6p s LEU 69 CO 0.27 -0.24 1.54 1.55 0.23 0.00 0.00 176.35 179.70 2e6p h PRO 70 N 8.40 0.70 -2.90 1.29 0.13 -1.83 -2.41 132.00 135.39 2e6p h PRO 70 Ca -0.15 -0.37 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 2e6p h PRO 70 Cb 1.12 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2e6p h PRO 70 CO 0.20 0.99 -0.79 -2.00 -0.23 0.00 0.00 178.00 176.17 2e6p s GLU 71 N -4.27 0.81 -0.57 0.86 2.12 -1.24 -4.41 118.70 111.99 2e6p s GLU 71 Ca -0.09 -1.46 -0.27 0.00 0.36 0.00 0.00 54.97 53.51 2e6p s GLU 71 Cb 0.12 -1.77 -0.02 0.00 0.26 0.00 0.00 34.13 32.72 2e6p s GLU 71 CO 0.85 -1.14 1.81 0.00 -0.54 0.00 0.00 175.26 176.24 2e6p s ALA 72 N 0.99 2.32 0.44 6.30 0.00 0.73 -4.80 121.76 127.74 2e6p s ALA 72 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2e6p s ALA 72 Cb -0.22 -4.25 -0.01 0.00 0.00 0.00 0.00 23.12 18.64 2e6p s ALA 72 CO -0.07 -3.64 0.66 0.15 0.00 0.00 0.00 175.76 172.86 2e6p s LYS 73 N 6.72 3.11 0.47 0.00 1.02 -1.26 -1.57 119.74 128.23 2e6p s LYS 73 Ca 0.67 -0.46 0.18 0.00 0.02 0.00 0.00 55.97 56.39 2e6p s LYS 73 Cb -0.14 -2.56 1.17 0.00 -0.52 0.00 0.00 37.83 35.78 2e6p s LYS 73 CO 0.23 -0.23 1.99 0.28 -0.92 0.00 0.00 175.35 176.69 2e6p h VAL 74 N 0.42 0.83 -0.27 3.17 2.07 -1.94 -0.20 116.25 120.34 2e6p h VAL 74 Ca -0.46 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 2e6p h VAL 74 Cb 1.25 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2e6p h VAL 74 CO 0.58 0.05 -0.35 1.56 0.02 0.00 0.00 177.57 179.42 2e6p h GLN 75 N 0.25 0.59 0.00 1.57 4.20 -1.93 -2.64 115.11 117.14 2e6p h GLN 75 Ca 0.27 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2e6p h GLN 75 Cb 0.71 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2e6p h GLN 75 CO -0.05 0.85 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.48 2e6p h ASP 76 N 0.50 0.00 -2.73 1.46 3.32 -1.40 -3.43 116.42 114.14 2e6p h ASP 76 Ca 0.05 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.58 2e6p h ASP 76 Cb 0.84 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.43 2e6p h ASP 76 CO 0.07 0.04 0.96 -0.94 -1.72 0.00 0.00 179.24 177.65 2e6p s SER 77 N -5.75 6.53 0.00 6.45 1.04 -1.00 -4.89 113.70 116.08 2e6p s SER 77 Ca -0.03 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.05 2e6p s SER 77 Cb 0.13 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2e6p s SER 77 CO 0.51 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2e6p n GLY 78 N 3.91 -2.15 3.70 7.32 0.00 -0.79 -4.96 105.19 112.23 2e6p n GLY 78 Ca 0.15 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2e6p n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e6p s GLU 79 N -1.93 4.43 -0.18 1.61 2.12 -1.26 -2.70 118.70 120.79 2e6p s GLU 79 Ca 0.00 1.03 -0.04 0.00 0.36 0.00 0.00 54.97 56.32 2e6p s GLU 79 Cb 0.00 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 2e6p s GLU 79 CO 0.00 -0.05 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.58 2e6p s PHE 80 N 1.17 3.01 -0.09 5.30 0.40 -0.56 -2.26 117.98 124.95 2e6p s PHE 80 Ca 0.41 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 2e6p s PHE 80 Cb -0.18 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2e6p s PHE 80 CO 0.19 -0.17 -0.22 -2.00 0.70 0.00 0.00 175.22 173.72 2e6p s GLU 81 N 0.71 2.76 -0.87 0.44 2.12 0.65 -1.29 118.70 123.22 2e6p s GLU 81 Ca -0.01 -0.80 -0.05 0.00 0.36 0.00 0.00 54.97 54.47 2e6p s GLU 81 Cb -0.14 -2.13 0.22 0.00 0.26 0.00 0.00 34.13 32.34 2e6p s GLU 81 CO 0.02 0.17 0.77 0.00 -0.54 0.00 0.00 175.26 175.69 2e6p s ARG 83 N -0.88 4.19 0.00 0.00 3.52 -0.87 -2.74 118.95 122.17 2e6p s ARG 83 Ca 0.25 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 2e6p s ARG 83 Cb -0.11 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2e6p s ARG 83 CO -0.09 0.29 0.00 -2.37 -0.81 0.00 0.00 175.30 172.32 2e6p n THR 84 N 0.30 0.00 0.00 4.11 5.66 -0.99 -0.33 114.28 123.04 2e6p n THR 84 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2e6p n THR 84 Cb 0.52 -0.30 -0.00 0.00 -1.55 0.00 0.00 70.33 68.99 2e6p n THR 84 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2e6p n GLU 85 N -1.41 0.02 0.00 1.09 -0.58 -1.26 -4.80 120.64 113.71 2e6p n GLU 85 Ca 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2e6p n GLU 85 Cb 0.00 -0.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.64 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2e6p n GLY 86 N 3.07 0.16 3.34 0.62 0.00 -1.26 -5.08 105.19 106.04 2e6p n GLY 86 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2e6p n GLY 86 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e6p s VAL 87 N -0.24 1.12 0.23 1.61 -7.23 -1.26 -5.01 120.40 109.62 2e6p s VAL 87 Ca 0.00 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 57.91 2e6p s VAL 87 Cb 0.00 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.66 2e6p s VAL 87 CO 0.00 -0.35 0.66 -0.44 -0.31 0.00 0.00 175.10 174.65 2e6p s SER 88 N -3.31 -0.37 0.57 4.85 0.01 -1.26 -2.34 113.70 111.86 2e6p s SER 88 Ca 0.28 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 57.21 2e6p s SER 88 Cb 0.05 0.67 0.07 0.00 0.21 0.00 0.00 66.02 67.02 2e6p s SER 88 CO 0.08 -1.19 0.54 0.00 0.41 0.00 0.00 173.24 173.09 2e6p n ALA 89 N -0.42 0.99 -3.51 1.44 0.00 -1.11 -4.86 120.51 113.04 2e6p n ALA 89 Ca -0.09 -2.24 -0.12 0.00 0.00 0.00 0.00 53.44 50.99 2e6p n ALA 89 Cb 0.61 0.84 -0.11 0.00 0.00 0.00 0.00 19.45 20.79 2e6p n ALA 89 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2e6p s PHE 90 N -2.78 -0.45 -0.06 0.00 0.40 -1.25 -2.99 117.98 110.84 2e6p s PHE 90 Ca 0.41 1.03 -0.03 0.00 -0.60 0.00 0.00 56.93 57.74 2e6p s PHE 90 Cb -0.03 0.16 0.04 0.00 0.51 0.00 0.00 43.02 43.70 2e6p s PHE 90 CO 0.26 -0.25 0.12 -0.06 0.70 0.00 0.00 175.22 175.99 2e6p s PHE 91 N 0.86 -0.09 -0.37 0.36 0.40 -0.41 -3.52 117.98 115.20 2e6p s PHE 91 Ca -0.06 0.46 -0.18 0.00 -0.60 0.00 0.00 56.93 56.55 2e6p s PHE 91 Cb -0.06 -0.30 0.00 0.00 0.51 0.00 0.00 43.02 43.17 2e6p s PHE 91 CO -0.06 -0.22 0.52 0.20 0.70 0.00 0.00 175.22 176.35 2e6p s GLY 92 N 2.02 1.82 -0.10 4.36 0.00 -0.79 -1.49 107.32 113.13 2e6p s GLY 92 Ca 0.01 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.62 2e6p s GLY 92 CO -0.05 1.29 -0.12 0.14 0.00 0.00 0.00 173.10 174.36 2e6p s VAL 93 N 2.41 3.17 -0.24 1.40 1.01 -1.10 0.36 120.40 127.41 2e6p s VAL 93 Ca 0.18 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2e6p s VAL 93 Cb -0.15 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.98 2e6p s VAL 93 CO 0.14 0.55 -0.03 -0.89 0.00 0.00 0.00 175.10 174.87 2e6p s THR 94 N -0.07 1.49 -0.58 3.92 2.01 0.10 -1.88 115.64 120.63 2e6p s THR 94 Ca -0.02 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.55 2e6p s THR 94 Cb -0.14 -1.81 0.14 0.00 0.01 0.00 0.00 72.50 70.70 2e6p s THR 94 CO 0.04 -0.17 0.55 -0.69 -0.69 0.00 0.00 174.62 173.65 2e6p s VAL 95 N 1.40 5.22 -0.21 3.82 1.01 -1.26 -0.39 120.40 130.00 2e6p s VAL 95 Ca -0.04 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 2e6p s VAL 95 Cb -0.19 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2e6p s VAL 95 CO -0.08 -0.91 0.46 -1.10 0.00 0.00 0.00 175.10 173.47 2e6p s GLN 96 N 1.53 4.17 0.31 2.72 -0.21 -0.35 -4.54 119.66 123.31 2e6p s GLN 96 Ca 0.05 0.30 -0.29 0.00 0.02 0.00 0.00 55.36 55.44 2e6p s GLN 96 Cb -0.27 -3.56 -0.11 0.00 1.00 0.00 0.00 33.01 30.07 2e6p s GLN 96 CO 0.02 -0.11 1.46 0.16 -2.12 0.00 0.00 175.29 174.70 2e6p s ASP 97 N 1.14 6.52 0.57 5.90 1.47 -1.26 -2.95 116.67 128.06 2e6p s ASP 97 Ca 0.21 2.85 -0.18 0.00 1.18 0.00 0.00 52.55 56.61 2e6p s ASP 97 Cb -0.15 -2.64 -0.04 0.00 -0.34 0.00 0.00 42.92 39.74 2e6p s ASP 97 CO 0.09 -0.77 1.12 -2.16 0.68 0.00 0.00 175.17 174.14 2e6p s PRO 98 N -1.21 3.22 0.02 2.11 0.04 -1.26 -4.91 135.00 133.00 2e6p s PRO 98 Ca 0.56 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 2e6p s PRO 98 Cb -0.44 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 2e6p s PRO 98 CO 0.52 -0.95 1.84 -1.54 0.04 0.00 0.00 177.00 176.92 2e6p s SER 99 N -1.98 6.52 0.00 6.66 1.04 -1.26 -4.73 113.70 119.95 2e6p s SER 99 Ca 0.71 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.69 2e6p s SER 99 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2e6p s SER 99 CO 0.31 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2e6p n GLY 100 N 4.36 2.41 0.00 7.32 0.00 -1.26 -4.70 105.19 113.32 2e6p n GLY 100 Ca 0.19 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.45 2e6p n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e6p n PRO 101 N 1.46 0.49 -1.39 1.61 -0.04 -1.26 -4.87 135.00 130.99 2e6p n PRO 101 Ca 0.00 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 62.92 2e6p n PRO 101 Cb 0.00 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2e6p n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2e6p n SER 102 N -0.87 0.78 -2.62 3.54 2.88 -1.26 -4.89 113.62 111.19 2e6p n SER 102 Ca 0.09 0.97 -0.09 0.00 -1.33 0.00 0.00 58.87 58.50 2e6p n SER 102 Cb 0.04 -0.73 0.01 0.00 -0.75 0.00 0.00 64.21 62.79 2e6p n SER 102 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e6p n SER 103 N 2.85 -1.86 0.00 -3.46 3.41 -1.26 -5.01 113.62 108.29 2e6p n SER 103 Ca 0.24 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2e6p n SER 103 Cb -0.03 3.14 0.00 0.00 -0.26 0.00 0.00 64.21 67.07 2e6p n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49